64
Lattice="13.76443408 0.0 0.0 0.0 13.76443408 0.0 0.0 0.0 13.76443408" Properties=species:S:1:pos:R:3:forces:R:3 energy=-633.72651771 stress="-0.01178970331034305 0.0006205258378465037 0.0007445482192870606 0.0006205258378465037 -0.0026943470488568996 -0.00032411617624323284 0.0007445482192870606 -0.00032411617624323284 -0.010878252836630083" free_energy=-633.72651771 pbc="T T T" config_type=melt 
Cl       0.07928631       3.67665006      13.09710004       1.59423638      -0.78480766      -0.48644219
Cl       9.88519000      11.68919995       2.54120001      -0.27870725      -0.13825664      -0.13706583
Cl       9.44445006      11.93470005      10.92600007      -0.79540161       2.22729703      -0.91206992
Cl      11.31059997       4.78217995      13.72459995      -3.35403864       0.16052301      -0.51405225
Cl       4.35145006       4.97622998      11.84460000       0.02814314      -0.21437670      -0.70337522
Cl       3.51455994      10.49430006       3.49183996       0.23587548      -0.39622678      -0.70283982
Cl       4.80867001       1.29969003      10.34950001      -0.38950650       0.07126352      -1.33752251
Cl      11.32859999       8.13966994       1.41755997       0.05162807      -0.28498149       0.10805084
Cl       8.00307996       8.58277006      12.82990003      -0.03550197       0.08732081       2.33994601
Cl      13.70070007      10.85199999       3.37340003       1.03919183       0.55289921      -0.53546854
Cl      10.98600006       6.95639000       9.61454998      -0.03007423      -0.21283087       0.64290417
Cl      10.70040003       1.43359995       8.85524997       0.48134428       0.57483750      -0.01562891
Cl       4.51709993       4.20414006       5.83984003       0.43901824       0.11572783       0.06194713
Cl       1.37265998       4.13374998       3.00714000       0.66235206       1.34821654      -0.02312384
Cl       9.10378005       3.03317006       4.01428997      -0.43831733       0.63226859       0.28951246
Cl       1.23382997      13.26260002       7.07529007      -1.41388115       1.54279823       1.41948072
Cl       5.19241996      10.95949995      11.11199997       0.25349609      -0.59987188       0.33044875
Cl       6.04784003      12.87629994       2.08444006       0.60210240      -0.47647517      -0.27432856
Cl       3.87545005       1.24597006       1.57663003       0.33901259       0.46845561       0.08254704
Cl       8.87440002      11.45549995       6.92958996      -0.35476548       0.02116196      -0.21274776
Cl       5.27035005      13.68040001       7.33142994      -0.03870379      -0.11383525      -0.78304739
Cl       7.91786999       2.43531999      12.47549999       1.30401631      -0.02393498      -0.09943931
Cl      13.12779996       7.24945999       4.99109006      -0.27300852      -0.29846521      -0.18996352
Cl      13.05360003       1.16238003       3.80069996       1.05386497       0.38481299      -0.75027418
Cl       2.22039000       8.95822005       0.19056405      -1.60528840      -2.04928757      -0.22223635
Cl       5.84019997       8.58801996       4.57263998       0.40922103      -0.73413741       0.04640933
Cl       1.52291006       5.22900995       8.53420997       0.28632283      -0.70957009       0.41166400
Cl       7.85940005       6.49277000       8.32394007      -0.78660697      -0.59374184      -0.72158987
Cl       6.38100995       6.57536004       0.88308604      -1.22335678       0.43160166       1.01108587
Cl       1.96586001      12.83680000      11.50180007      -1.27199981       0.36918844       1.57809635
Cl      13.64969995       9.15490996      10.77599994      -0.62577231       0.42527034       0.37489504
Cl       2.23717999       9.04438995       8.03060002       0.33580351       1.16985087       0.42496715
K        8.26047006       0.17192205       9.27570003      -0.79321884      -0.43700992      -0.32637494
K       11.55120007       9.69035003       4.32872994      -1.28854123      -0.05917754       0.03038353
K        6.14351001       9.20785995       7.19474994       0.46185623       0.16716909       0.65943845
K       12.95850004       6.49900005      12.55979999       0.35674447       1.26920263      -0.78566437
K       10.15079994       9.97466997      12.18849998       2.09412768      -1.98568671       1.18602168
K        7.66020006       3.97207996       6.63322999       0.20359549       0.19804905      -0.01768300
K       11.95969998       1.43798006       6.24278007      -0.20100737      -0.14535970       0.93463957
K        2.13338997       6.96878996       6.39850000       0.46457331      -0.54854131      -1.06907914
K        8.23669998       5.30001998      13.35630003       1.16179288      -0.75400767      -1.41361735
K        2.77353003      12.30749998       5.36413995       0.97596441      -0.64506213      -1.25592591
K        6.34055999      12.17230006       4.93022001       0.45854739      -0.29650364       0.08617343
K       11.31420005       2.89949001      11.53280005      -0.32721857      -0.18455372      -0.31744715
K        3.77788004       5.88721005       0.60640894      -1.03805902       0.09678600       0.47618451
K        2.32896000       2.55725993       4.99702996      -0.30362316      -0.73195531       0.72329202
K        7.18377996      12.83070002      12.89699999       0.14165308      -0.17641796      -0.06851077
K       13.52259999      11.27680002       8.37611993      -0.33073605      -0.62670907       0.53166086
K        6.80900993       9.53763005       2.17894997       0.23117492       0.61763186      -0.53571281
K       12.51250003       4.33388995       2.14326994       0.17779330      -0.17580243       1.53855180
K        0.00243149      11.35689994      13.58060001       0.14842927      -0.37974666       0.03546705
K       12.82079995       6.50493005       7.53260004      -0.40988078      -0.14569233       1.28755509
K       10.42870001       0.73202206       3.06758995      -0.56793693      -0.81619589      -0.54978584
K        0.95123003       7.95427004       2.94213003       0.48529361       0.86407440      -0.93094486
K        3.95224995      10.73140001       0.47909893       1.49328388       2.01540558       0.26229802
K        4.84891997       4.28271998       8.88237004      -0.08366727      -0.04616254       0.21529775
K        2.01504006       2.85500997      10.64880006       0.01940014      -0.12944395       0.17373226
K        8.62618006       6.59605996       2.38731005       1.14747272       0.23528122       0.77285707
K        1.30190005       1.85420003       1.45677003      -1.09955423      -0.48875434      -0.59236353
K        7.16561999       7.97344995      10.56490005      -0.75640743       0.01363033      -1.48563851
K        3.29560001      12.25829997       9.35883996       0.87350837       0.08784995      -1.25846915
K        5.32046994       2.01027000      12.77700001      -0.91818198       0.41043895       1.42313943
K        5.53279996       2.48356006       3.55363002       0.55319215      -0.16655816      -0.11476293
K        2.58001007       8.56764997      10.98660005       0.46893110       0.01112733      -0.11545114
64
Lattice="13.76443408 0.0 0.0 0.0 13.76443408 0.0 0.0 0.0 13.76443408" Properties=species:S:1:pos:R:3:forces:R:3 energy=-636.40343381 stress="-0.005689354539107253 -0.0032398854362311767 0.0015341006029489556 -0.0032398854362311767 -0.0053237762486766154 0.0008766468576346362 0.0015341006029489556 0.0008766468576346362 -0.002300827850152587" free_energy=-636.40343381 pbc="T T T" config_type=melt 
Cl       4.71882006       4.77368000       5.27110999       1.04019713       0.42892779       0.36134161
Cl       7.52454000       5.42768001       1.52466998      -0.23637965       0.38270554      -0.16728515
Cl       4.99856002      13.22859994       9.92638007      -0.04749935       0.11632752       0.44442413
Cl      10.26429995       3.41464006       2.89460006       0.64700498       0.66015250       0.56393750
Cl       3.38609001       4.07259006      12.57410000       0.09609741      -0.62440653       0.57781484
Cl       0.91386496       9.72972994       1.75024001      -1.69944360       0.03727693       0.41743554
Cl       6.77702001       8.41534995      11.28689995       0.92689563      -0.95642476       0.39406828
Cl       9.33484002       9.49777004       4.14708001       1.03103269       1.53081076      -0.47160739
Cl       1.95441007       9.57921007       8.31319004       0.10567140      -0.15294766      -0.07809804
Cl      10.85150007      11.37760000      11.05729997       1.42760834       0.14067286       0.42149740
Cl       9.05859994      13.08269997       3.87553994       0.23630384       0.13825019       1.00319091
Cl      12.32949995       6.10226997       7.37119994       0.11351878      -0.64323473      -0.05684655
Cl      10.20650006       2.39290007       7.31203999       0.10005765      -0.32048768      -0.09010888
Cl       6.47005001       0.82349099       1.99859005      -1.61153932       0.70818426       0.89892666
Cl       6.87757003       4.86449002       8.80764004      -0.16127527      -0.81041714       0.58755092
Cl       2.93225997       2.05920999       7.05033006      -0.14134816      -0.20276691       0.30373203
Cl       9.59276996       8.99414000       8.67801995      -0.02055063      -0.13821801      -0.21141497
Cl       5.52399995      10.29429995       8.42674002       0.53971304      -0.30306625      -1.06483115
Cl       3.40131004      11.67030000       4.01195002      -0.28402542      -1.49671678      -0.42176234
Cl       7.67685998       1.29384001      12.20009995       0.09445591      -0.00755199      -0.52064994
Cl       2.08349004      11.47890004      12.31829997      -0.29978719      -0.10350417       0.13201234
Cl       2.60027998       5.89216002      10.13810005      -0.92780671       0.29828143       0.58053604
Cl       5.82277997      10.98379995       0.17422401       0.17004578      -0.41887995       0.04964124
Cl       2.01103007       1.45835005       3.21182994       0.18205902      -0.94011101      -0.29484513
Cl      12.60469999       7.89301005      13.47639995      -0.46174834      -0.08561406      -0.52867345
Cl       0.22733504       3.83005000       2.90059998      -1.27866228       1.36304314      -0.83729051
Cl      13.35880006       0.08173844       7.51332997       0.06665812      -0.02152075       0.14746037
Cl       5.60861006       8.14539994       4.71478006      -0.31848706      -0.50475217      -0.17225026
Cl      11.21890007       0.50968502       0.51462301       0.41792511      -0.46428313      -0.07661642
Cl       9.70196005       4.94049998      12.04450005      -0.22232368       0.25091130      -0.02219973
Cl       0.05560006      10.27429995       5.34705993      -0.39501081       0.31394342      -0.62692159
Cl      12.87320005       2.40401003      11.57589994      -1.12435415       0.88116156       0.47486669
K        8.72437003       1.95090000       1.04693001       0.17709713       0.48116063      -0.56105558
K        2.74153997       9.18395003       5.13272003      -0.15924967      -0.08519033       0.67365507
K        7.17554002       7.40901001       7.99938999       0.27667120       1.29677886       0.05042702
K        4.32491003       6.09014007       2.78402004       0.82717303      -0.23206780      -0.37548853
K        6.55713001       5.13611998      12.18960003      -0.13661781      -0.08168184      -0.00673289
K        8.62936006       7.13010005       4.58839007      -0.75360051      -2.24964648      -0.03284279
K        0.16922298      10.25100007      10.43229996      -0.13966590       0.07738264      -0.11368107
K        5.15316999       2.27608999      10.05819999       0.06313507       0.52698675      -0.20506872
K        8.27442004      10.90020001      10.60450005      -1.54716064      -0.22147709      -0.45516557
K        5.22711996      13.67049994      13.17409994      -0.45970422       0.13142932      -0.36640744
K        3.40667995       9.67987997       1.34016999       1.99064901       0.61229501      -0.53726990
K        7.97958999      12.49720003       1.51434996       0.57354578      -1.36837083      -1.07007403
K        0.14270896      12.36940001       2.91107003       0.50785214       0.30828307       0.48273706
K       10.52340001       4.60799998       9.36776001      -0.16366592      -0.02602765      -0.63705626
K        0.73717395       1.47815996       9.75887998       1.26859218      -0.32128148      -1.08140762
K       13.03939995       3.18425000       6.03108004      -0.32966408      -0.16028617      -0.02851802
K        0.14017204       5.90021001      11.65599999       0.22605143      -0.25335661      -0.15804724
K        2.25401004       4.09806005       4.66389005      -0.36399095      -0.93192087       0.56116009
K       12.65460005      10.96960001      13.50800006       0.04420738       0.25687088      -0.03088512
K        3.11816998      12.57150003       7.80665006      -0.16857757      -0.23070713      -0.08727355
K       11.13420007      13.09890002       5.86617001      -0.01838092      -0.04683531       0.18052847
K        6.85416003      10.55590004       5.14912999       0.03105125       0.88051250       0.35183883
K        0.72870001       2.38442998       0.14827200       0.70559928      -0.13305814       0.83721142
K        4.19771001       6.37638001       8.18150006       0.54957483      -0.01064676      -1.26007284
K       12.07450004       8.90432995       7.11376001      -0.08788093       0.14663823       0.10713920
K       12.87850004       7.62218999       2.52034001      -0.13164719      -0.23995197       0.57453978
K        4.33445993       0.23561394       4.42909000       0.58962672       2.01455936       0.15357170
K        4.29242005       9.24453997      10.70929997      -1.24888901       0.55500916       0.15043639
K        8.36172000       2.14492993       4.32689005      -0.62905608      -0.05768586       0.79919311
K       10.32440001       0.46388607      10.46340001       0.00458134       0.45679042       0.18230172
K       11.19990006       3.71923997       0.28989096       0.57836423      -0.20395557       0.06459197
K        9.11851005       7.60742006      13.09750004      -0.04102382       0.05370556       0.12068034
64
Lattice="13.76443408 0.0 0.0 0.0 13.76443408 0.0 0.0 0.0 13.76443408" Properties=species:S:1:pos:R:3:forces:R:3 energy=-635.81513216 stress="-0.0016153234458681225 0.0005535177074030614 -0.0018376022479531118 0.0005535177074030614 -0.006302123229683818 0.004644683010219094 -0.0018376022479531118 0.004644683010219094 -0.007266998306457875" free_energy=-635.81513216 pbc="T T T" config_type=melt 
Cl      11.71859995      11.55369997       9.91976006       0.71219353      -0.55211100       0.56579792
Cl       6.17853994       1.39480998       5.75156004       0.01722294       0.34834210       2.26778437
Cl       5.83251996       2.99346999      10.62100003       0.24727242       1.31840088      -0.18510814
Cl       8.17029003       5.71294006       8.54134999      -0.11849813      -0.17322092       0.09198628
Cl       0.84490102       8.60732003       5.38058996       0.31379849      -0.10838462       0.00289516
Cl      13.04580000       3.21357004      12.76770007      -0.09053048      -0.26100572      -0.02534988
Cl      10.64909998       2.14939002       4.99341005      -0.63494674       0.21186304      -0.77974580
Cl       8.10167997      13.66140000      11.58810004      -0.51019982      -0.19745219      -0.32610445
Cl       1.80528000      12.09390005      13.04360003      -0.37801915      -0.13803132      -0.17356546
Cl       9.95675005       9.80213994       6.45820998      -0.34795411       2.95092423      -2.64293592
Cl      10.56960005       1.19782001       8.82306006       1.22339424      -0.27093363      -0.48325715
Cl       3.19432997       5.02255005       9.46677006       1.55734742      -0.07486814       0.23146737
Cl       3.43708999       8.28943001      12.82469996       0.40010922       0.06533835       0.27675085
Cl       2.77493001       0.18477803       9.80373001      -0.60808094       0.23867394      -0.63547354
Cl       6.36237001       6.49952999       5.13651998      -0.76636915      -0.30038729       0.86379897
Cl       5.92692003       0.55686592       0.58066297      -0.38357716      -0.43502391      -0.54009619
Cl      12.99939995       4.84558994       7.04829994      -0.03749396       0.98403925       0.28199537
Cl       2.77654003       4.50188005       6.26814999       0.49615108      -0.01950859      -0.24993086
Cl       2.85712006       9.28969006       9.78943000       0.66196505      -0.04166945      -1.35416132
Cl       0.42254101      13.49673607       6.95588993       1.12022755       1.07304951       0.18910157
Cl      10.72029996       6.16990001       3.22382000       0.17196223      -0.37286805      -0.08216643
Cl       4.63021000       3.85938999       1.02676994       0.12929149      -0.42987496      -0.09886019
Cl       8.30514996       5.76158000      13.72159586       0.63800210      -0.34621392      -0.02988119
Cl       1.13127998       2.41584001       3.01939998      -0.25511808       0.24259836       0.00217703
Cl       6.78805000       9.72981004       8.73753006       0.32613410       0.00672943       0.08751397
Cl       5.85687998      11.16540005       5.17539005       0.27922548      -0.25627378      -0.41247069
Cl       1.70039005      12.68400006       3.17712994       0.38989148      -0.40896601      -0.07481695
Cl       0.73782996       6.82308999       0.61308703      -0.95958239       0.15072657       0.26747979
Cl       9.90396000       0.24192204       2.15570005      -1.45814222      -0.59700573      -1.01026221
Cl      13.05089999       6.97075002      10.56439999       0.05347699       0.65033545       0.07091644
Cl       6.72089994       8.69976996       1.29949004      -0.37833136       0.97841650       0.00435942
Cl      11.88049998      10.29839996       3.10423005      -0.22684125       1.34944315      -1.05436198
K        9.28550003      12.28080000       9.00463001      -0.75572829       0.19883279      -0.45204271
K       12.26120000       0.09616591       3.34191003       1.72936951      -0.35928595       0.79269177
K       11.82109998       4.60629994      10.42599998      -0.40153468      -0.69074506      -0.75950491
K        9.91351004       8.60018001       8.44717002      -0.35261928      -2.68804110       4.13675469
K        4.75945005       8.15169001       6.98609998       0.13846200       0.31436455       0.00012180
K        1.77551000       6.85156998       8.34705000      -1.61350692       0.83487382      -0.87007896
K        3.46988995       1.87180997       5.11011002      -1.41534878       0.34493055      -0.52437282
K        4.46045007      10.40200004       2.66219007      -0.01070046       0.12255247      -0.29087667
K        8.78839006      10.86829997       4.15950998      -0.28061231       0.30820982      -0.59523342
K        2.21459999       3.40085994      11.24760001      -0.33973875      -0.50918815       0.82542406
K       10.92490001       2.83975994       1.89114997       0.40415426       0.67679509       0.21230449
K        5.57969002       6.55006005      10.64550003       0.06802473      -0.19378234       0.27399683
K        8.61862999       4.61013003       5.03089997       0.56394656      -0.40277955       0.67215321
K        0.94426000       5.42831001       4.24566997      -0.46765054      -0.13221016       0.10504944
K       11.68269997       8.49654001       4.95430998       0.90095601      -2.12224007       0.10755591
K        2.51424993       0.86844701       0.56682201       0.09811417       0.09964651       0.81970640
K       12.75540003       2.14266004       6.78528996       0.10797419      -0.18218344       0.26180674
K        3.32472004       6.36645007       1.30086001       0.90329335      -0.00684431      -0.02254945
K       13.05650005      11.26090004       6.52221006      -0.47953620      -1.47754042      -0.20231269
K        4.25047996      12.80230000       6.75402997      -0.54580438       0.01103851       0.58475215
K        8.54801005       2.18552001      10.09700000      -0.64195378       1.17957355      -0.00159535
K        5.31290996      10.10500003      11.18789995      -0.46308767       0.13367177       0.53406176
K        7.37445000       3.01182005      13.34169995      -0.61584383       0.01226977       0.16073909
K        7.91235995       6.94454997       3.04411003       0.48987686       0.14243928      -1.36574625
K        0.70340401       9.63869004       1.59938003       0.06184671       0.49323954       0.18039379
K        5.40852997       3.83006995       7.65558994       0.05084415       0.28770891       0.06566784
K       11.71959994       6.07386995       0.17384797      -0.13094270       0.11894712      -0.02626644
K        0.08910874       0.16023797      10.97070007      -0.29875954      -0.44719503      -0.23449530
K        4.96530005       0.60799006      11.21019998       0.70170556      -1.27514380       1.21386609
K        9.69282997      12.11579995      13.14140005       0.43145166      -0.27725265       0.63882854
K        0.64565698       9.38416005      11.41520003      -0.01808974       0.24854249       0.48967646
K        6.40879002       0.99907796       3.26518006       0.59745727      -0.34828603      -1.77595224
64
Lattice="13.76443408 0.0 0.0 0.0 13.76443408 0.0 0.0 0.0 13.76443408" Properties=species:S:1:pos:R:3:forces:R:3 energy=-634.02866789 stress="-0.0040408457943714865 -0.0014380849839448614 0.0005681098252111008 -0.0014380849839448614 -0.006996873524719454 0.004653401106475564 0.0005681098252111008 0.004653401106475564 -0.014336041795773533" free_energy=-634.02866789 pbc="T T T" config_type=melt 
Cl       9.54033999       2.83929002       0.37419399      -1.56841460      -0.14690997       0.70894021
Cl       7.04179996       8.89595994       6.75926004      -0.29601717      -0.85378913      -1.19725820
Cl      11.16990006       7.15237998      11.03929994      -0.50168631      -0.10433479       0.15239516
Cl       6.59633002      11.81570005       9.27100003      -0.45210668      -0.02222341       0.52282249
Cl      11.73140005       3.78075006       4.60323005       0.05049031       0.27865757      -0.16454219
Cl       1.57110003       7.47484007       3.23805999       0.05889462       0.20057462       0.06572421
Cl       4.55692003       1.06009996      12.81790006       0.45058876       0.25271990       0.32244919
Cl       4.88991995       9.41218004      13.12320002       0.76668922       0.14395131      -0.03878041
Cl      13.56180000       3.75057002       9.09753994       0.05429393      -0.50902182       0.47320955
Cl       2.78898996       5.59304001      13.00659999       0.02182797       0.08715788       0.18599994
Cl      12.59090004      12.04530003       5.79291996       1.55537994      -1.04569192      -0.44985420
Cl      11.43039996       7.19632005       2.96734000       0.32184671       0.69996114       0.29121378
Cl       7.97206002      12.50869994       5.97590999      -0.04658434      -0.57365708      -0.31988294
Cl       1.57322003       4.11167004       4.53959997       0.42553733      -0.14833351      -0.51543767
Cl       0.49498199       7.75043996       7.80764000       0.02704147      -1.89323107       2.06440942
Cl       5.86133993       6.44639996       9.65927998      -0.36201662       0.59453371      -0.83619313
Cl       9.56688994       2.66468006       7.32600001       0.29159413      -0.45558067       3.65238968
Cl      11.11660004      11.67619999       8.56305994      -0.32419292       0.63229594      -0.50329237
Cl       2.80437998      10.71370005       7.76644002      -0.11370997      -1.03570709      -0.99746885
Cl       4.93085001       1.06424003       3.30650997      -0.13400068      -0.81314900      -1.03663843
Cl       0.28876599       9.27215995      12.17479996       0.12568430      -0.32977637       0.42883440
Cl       0.11467205      12.88850004       1.24646999       0.08941038      -0.34921782       0.37569036
Cl       8.68030003       0.47162801       3.48205000       0.81086779       0.59273671      -1.07860575
Cl       3.93216998      10.86080001       3.90422006      -0.54770179      -0.53166966      -1.35648816
Cl       8.17161995       9.93941003       2.77543998       0.36802368      -0.08332198       0.49596304
Cl       2.03947000      12.09730000      10.78160000      -0.83502822       0.18259505       1.12304669
Cl      12.92999995       2.95990996       0.35105501       0.63097501       0.03074746      -0.22563740
Cl       7.16259003       1.38843994      10.51510005       0.27414757       0.98041141      -0.62016923
Cl       3.49553006       1.11934002       7.32455007      -0.52646971      -0.82298666       1.56726445
Cl       6.88319996       5.46391998       1.55824006      -0.54958694       0.28158346      -0.71537287
Cl      10.64240001      12.45130005      12.80480003      -0.89476342      -1.60934104      -1.13238172
Cl       6.25251001       3.67487004       4.74845006       0.45248507       0.97667853       0.39898415
K        8.75807004      13.56439996       8.34121003      -0.20362860       0.41663721       0.98998401
K        3.83049996       2.44396997       5.30367003      -0.16820492       2.10415253      -1.57851707
K        4.05714994       7.41621996       7.33498007       0.12014190       0.10146470      -0.07819442
K        1.81815002       0.64492100      13.02240005      -0.56149213      -0.15289046       0.24056741
K        0.09436593       5.33074000       1.74890005      -0.83463338      -0.11539654       0.39572529
K        9.06733995       2.86176996       4.99407997      -0.84902466       0.33280900      -3.18984694
K        5.33115995      11.13410000       6.09698003       0.78699753       0.42738379       1.36091833
K        2.93222996       4.88395004       2.03844001       0.84774532      -0.22512004       0.27965958
K        1.02826998       5.98163999      10.66550003      -0.47267785       0.21931352       0.03832077
K       12.50789995       9.21879001       1.19725002       0.32059092       0.47656901      -0.51958264
K        0.02101623       5.12538001       6.63825002      -0.56219354      -0.30994690      -0.30872828
K        6.20295997       7.74263994       3.10552997      -0.24661951       0.29746032       0.43598116
K        6.60726999       4.93082001      11.74480000       0.00779230      -0.63004191       0.86495667
K        6.52582996       3.02878003       8.05207006       0.03494276      -0.04401096      -0.16010182
K        3.50427998       9.57947999      10.36060006      -0.20550080      -0.10468558       0.66295005
K       13.66620007      13.58809998       9.62227004      -0.19070609       0.03190151      -0.07554310
K        6.63711005      12.46749996       3.07672995      -0.56623115      -0.17448364       0.17234228
K        2.60493993       9.12977005       1.09819000      -0.16709002       0.39921158      -0.34788767
K       11.36300007       0.43645699       6.76926995      -0.09638294       1.11734336       0.03485886
K        6.45591999       2.58459004       1.08731005       0.08821445      -0.41678306       0.31807443
K        2.49946005      13.37690002       4.36041002      -0.40602582      -0.03428729      -0.19867460
K        0.58369900       9.44278003       6.05928998       0.56789662       2.26934561      -2.20319451
K       10.94159999       4.31130003      12.50250003       0.81991996       0.72364060      -1.23572629
K        9.48179999       5.29593002       2.56375000       0.34945203      -0.92725147       0.13159544
K       11.18769995       0.51042802       0.80749796       0.55473169       0.97111297       1.17585806
K       10.86370004       8.54320998       6.13504006      -0.20558817      -0.05837074      -0.05733005
K       10.41899994      12.10040003       4.19907007      -0.89216143      -0.23337025      -0.73096946
K       11.37429998      10.09810005      10.65810000       0.74539883      -0.64803543       1.38616299
K        7.83873000       9.37640999       9.22017995       0.46646043      -0.51047021       0.85606547
K        6.84814002      13.13470007      12.29390003      -0.00517561      -0.33261829      -0.00645340
K        3.83413005      12.88030002       9.02401006       1.35277222       0.54863489       0.48769243
K        7.86582997       9.78936999       0.08503805      -0.05321917      -0.12587952      -0.78229615
64
Lattice="13.76443408 0.0 0.0 0.0 13.76443408 0.0 0.0 0.0 13.76443408" Properties=species:S:1:pos:R:3:forces:R:3 energy=-637.22381803 stress="-0.002628305884214785 -0.0003746845274151188 -0.00016321065143831115 -0.0003746845274151188 -0.008549495506407032 0.0020798746509832983 -0.00016321065143831115 0.0020798746509832983 -0.005046681099342629" free_energy=-637.22381803 pbc="T T T" config_type=melt 
Cl       0.42673104       6.91966002       7.06552998       0.29289835       0.08915490       0.26420318
Cl      11.77659997       4.51357996       8.86002995      -0.04216461       0.64616108       0.39934661
Cl       2.84998994      10.34340002      11.70280003      -1.24620935      -0.23161534      -2.27622882
Cl      11.85229996      12.78709994       4.69050001       1.06239736       0.50304147       0.36100359
Cl       4.62477002       8.41147003       6.15988005      -0.20213072      -1.04732980       0.92398794
Cl       3.75928002       5.90113993      11.45420004      -0.01459202       1.74002588      -2.81537545
Cl       7.95433005      10.15469996      11.55719999      -0.20234494       0.00799491      -0.02206951
Cl      12.74440005       0.38908201       0.60531301       0.04447881      -0.21322544      -0.24851608
Cl      12.07809999       9.73004005      12.99850003      -0.26977661       0.18847811       0.24821633
Cl       1.80125995       1.59131999       4.36127993      -0.20333311      -0.03572455      -0.11926104
Cl      11.12210003       9.24559005       3.28991998       0.11102753       0.08047534      -0.00643848
Cl       0.30128502       5.23981999       2.47997993       0.43207760      -1.89342401       1.83930531
Cl      11.67189998       9.62342005       8.43445994       0.51042706      -0.24223884       0.39715988
Cl       7.79948994      10.73100002       6.79656000      -0.03230473      -0.54641849      -0.15553878
Cl       3.47040997      11.98350007       0.25680497       0.57221144       0.30581858       0.90370586
Cl      12.70409999       5.41863004      12.21160000       1.13462078       0.48195730       0.28140998
Cl       7.64627004       2.19189005       5.19889998       0.15369022      -0.01796048       0.27331205
Cl       3.49607004       3.52596997       7.31706001       0.10116470       1.10160534       0.10143288
Cl       6.73949995       9.62336995       2.67123000       0.07185986      -0.43604165      -0.40327907
Cl       9.19212996       0.23848795       9.35146994       0.13078043       1.39060566       0.51380073
Cl      12.39119999       3.02956006       6.09481006       0.01306389       1.13041684       1.05802116
Cl       2.40866998       2.67758999      12.06760007      -0.54309720      -0.06368159      -0.05048880
Cl       5.19204006       2.76353994       0.41101495       0.92090947      -0.18257920      -0.43880255
Cl       2.70093998      12.28069994       6.14997007       0.10450992      -0.04636871      -0.56970361
Cl       4.11679000       6.51086004       2.64809997      -0.14230626      -0.28398293      -0.44484615
Cl       5.01186995      13.73612697       9.60852996      -0.38788013      -0.00887760       0.19490773
Cl       7.60990000       5.65391996      10.80049995       0.02905094       0.10084952      -0.20704311
Cl       0.45099499      13.43650002       9.56760995      -1.50108332       1.26448695       0.64808450
Cl      10.87130007       4.30523997       1.78735003       1.05900808       0.77577629      -0.29927568
Cl       7.15953006      13.32779994       1.98762007       0.03669086       0.20260227      -0.01402394
Cl       1.45680995       9.70855005       3.32567998      -0.08934413       0.38661500      -0.20171193
Cl       8.74343005       6.38948003       5.63529998       0.99792706      -0.52906334       1.62187921
K        9.47032995      11.90029998       4.14514005      -1.96043728      -0.82070309      -0.56720489
K        0.15856298       8.82724995      11.08059999       0.07554831      -0.10022664      -0.41295515
K        6.27045993       8.69323006       9.41359998       0.34865569      -0.05181733      -0.22981829
K       12.35359996       1.70399000       3.99078005       0.20262566      -0.75455295      -2.36636302
K        0.37173194       7.23532997       1.07178005      -0.29295900       2.46977556      -1.42511541
K        1.93613998      13.53359103      12.33989994      -0.47403684       0.22289450      -0.34097250
K        4.53383005       9.21865994      13.34029997       0.92580963      -0.57008687       1.29909909
K       13.46519996       3.39231993       0.25851906      -0.20880855      -0.56150663       0.23784949
K        0.85381996       4.54096994       5.34553002       0.38444638      -0.67283215      -0.03607100
K        3.16558006      12.40969994       2.97482001      -0.35257197       0.23756837       0.41464210
K       11.49670007       1.88561997       8.35961005       0.11452747      -1.30357254       0.45661668
K        4.90870001      10.68659995       4.81149998       0.67991665       0.30229769      -0.31339296
K        5.85661997      12.67649995      12.32620006       0.30051497       0.09865748       0.32138559
K       11.44549995       6.92860002       5.19428999       0.23463113      -0.02746773      -0.00218699
K        2.07601003      11.65509994       8.74203998       1.38026764      -1.51827344       0.28381400
K       11.15259995      12.64930006      11.84320001       0.18096614      -0.00593564       0.38566799
K        6.87295000       6.60969005       3.94525005      -1.50546729       0.60405379      -1.08861806
K        8.85498996       3.88026995       7.85550004      -0.27647227       0.33691529      -0.49752749
K        5.25396006       3.34463002      11.35580003       0.41122527      -0.23285165      -0.58514296
K        7.02669996      13.24539998       7.50650997      -0.51708667       1.14843278      -0.24081995
K        2.24768006       1.18276006       7.58203996      -0.21156465      -0.79266027      -0.24765925
K        2.08309005       7.27896997       4.67386005       0.49574050       0.30981811      -0.35984706
K        1.13779001       4.43435999      10.03779999      -0.33905815       0.06630702      -0.02871499
K        9.59230996      11.43930004       9.00891997      -0.07681286      -1.56867982      -0.13006651
K        4.16829995       2.28591999       2.84024995       0.20678287      -0.02879686       0.90877870
K        3.51432003       4.92447997      13.69504413      -0.60115990      -0.52415465       2.82061321
K        3.54337001       6.33115999       7.95473004       0.00260018       0.08237227       0.14731490
K       12.92819998      11.44830005       2.20048002      -0.05448200      -0.18260697      -0.28459151
K       10.64320000       6.31745997      10.73029996      -0.81403901       0.46881765      -0.42218023
K        8.91357002       8.15229000       0.19493604       0.13407944       0.46531391       0.29229742
K       13.08650005      10.73840005       6.15211003       0.39612996      -0.40709578      -0.20212657
K        8.82217005       2.85058993       2.27401995      -1.69173870      -1.30693691       0.45612168
64
Lattice="13.76443408 0.0 0.0 0.0 13.76443408 0.0 0.0 0.0 13.76443408" Properties=species:S:1:pos:R:3:forces:R:3 energy=-634.32662242 stress="-0.007912346969381019 -0.003269194820346738 -0.0013221699608512974 -0.003269194820346738 -0.0038681555700803296 -0.00043163744310205333 -0.0013221699608512974 -0.00043163744310205333 -0.010474331370295827" free_energy=-634.32662242 pbc="T T T" config_type=melt 
Cl      11.31460005       3.41801001      13.00990001       0.68786158       0.55448114       0.40392391
Cl       4.82738001       7.21569005       1.09897995       1.12561695       0.00567457       1.14530298
Cl      13.70789997       8.51479000       0.69625105      -0.66747508       0.16240746       0.25234599
Cl       9.71514005       6.41135007       5.80555998      -0.26042529      -0.24250818       0.00979202
Cl      13.38869999       2.70637996       3.75324005       0.05526714       0.76012093       0.31792677
Cl       1.37864998      12.31419995       2.43464002       0.10956750      -0.18321806      -0.12109172
Cl       8.37758007      13.60860004       3.97361002       0.44752179      -1.20720819       0.06590012
Cl       0.69933800       4.71106999       0.40026603      -0.01676522      -0.06706290      -0.21488007
Cl      12.30210005      11.68670005      10.33340002      -0.04228906      -0.54237316      -0.34609271
Cl      12.06599995       2.45227006       9.84563996      -0.19857655      -0.07807182      -0.24845394
Cl       7.70126997       9.37498000       1.45207994       0.23851779       0.62863698      -0.00674479
Cl       3.12560002       0.27581696      12.70300007      -0.10245167      -0.04875273      -0.17733505
Cl       0.61950593       8.24444000       5.58496001       0.07257680      -0.56899037      -0.23693005
Cl       1.09212003      11.19219996       7.64991004       0.56241047       0.19584708      -0.38132438
Cl       4.20087004      13.41949998       4.05576001       0.15882550       0.56420788       0.48304615
Cl       2.98981994       4.67437002       3.22667006      -0.00679511       0.09116489       0.54322196
Cl       8.61297997       7.17177999      11.32830006      -0.17729275      -0.17661826       0.22230834
Cl       1.04051001       7.04207002      11.18780002       0.84379509      -0.34853382      -0.22812747
Cl       5.39084006       6.17430999       8.46288996       0.32026112       4.11596446      -0.53965485
Cl       2.34860006       2.59674996       8.32474005      -0.09902036       0.56146659       1.06974495
Cl      11.26660003       0.53624198       6.38988003       0.22103247      -0.06547069      -0.75475668
Cl      12.29869996      13.75299996       0.92619198      -0.26218223      -0.99260971      -3.65071085
Cl       7.91762994       4.74643000       2.36803998       0.28059669      -0.87805880       0.09645180
Cl       5.58769996       3.67708997       5.52576000      -0.01440707      -0.39041976      -0.19786356
Cl       4.07468005       9.53100000      11.40609995       0.27035309      -0.20570760       0.05544512
Cl       5.55583997       0.25850406       8.78254004      -0.24521436       0.13124082      -0.43574577
Cl      12.00650002       7.73298997       9.29811995      -0.75841735      -1.61929253      -0.63338264
Cl       8.34674994      11.64529994       9.38453995      -0.35433246      -0.60807159       0.32667964
Cl      11.66220005      10.58670002       3.73748005       0.08737486      -0.20325422       1.42317683
Cl       6.81279997       0.68884399       0.09603666      -0.95387591      -1.18402148      -0.30491688
Cl       5.57195000       9.71563006       5.67655998      -0.45551814       0.16187171      -1.06199091
Cl       7.32196001       3.57318005      10.68579996       0.53586864       1.84371328      -0.17341668
K       12.30700005      10.82219999       6.66479996      -0.53312909       0.24864579      -0.25878839
K       10.41009999       9.33863997      10.50459999      -1.07082640       1.30101800       0.59848281
K        6.95509999       8.70935000       7.68845005       0.65104195      -0.29267993       1.05114818
K       11.12430000      10.65260000       1.21663998      -0.03589700       0.07291845      -1.21981211
K        6.01586002      11.36280007       3.15234996       0.56506407      -0.03533043       0.02477896
K       12.15000003       0.17109398      11.85430007       0.13986440       0.81594110       0.10907740
K       11.80890001       0.35564393       3.22320996      -0.88391633      -0.12249665       4.22749009
K        7.34323997       6.70559003       0.54050606       1.10482421       0.29039121      -1.14483296
K        0.61113495       8.55552997       8.65465000       1.47032632       0.16709649       0.06424686
K        7.90975999       1.67538999       2.23200994       0.24256134       1.26962062       1.05185812
K        7.09578999       0.58198601       6.28836003      -0.36086560       0.19583123       0.31403854
K        8.92518004       2.40946997      13.36679995      -0.17215999       0.59025116      -0.67065898
K        6.72671004       1.15928000      11.13250003      -0.76142961      -1.87413647      -0.18958491
K        4.55664006       2.42435001       2.47700998      -0.00517147      -0.20939307       0.14881847
K        5.11848994       3.84121006       8.43956998      -0.17010278      -4.26106024      -0.09427607
K       10.83319998       4.78802997       2.64560998       0.32292676      -0.52088385       0.01522683
K        9.97930996       4.78074996       8.79893995       0.07575947       0.17659820       0.10870805
K        1.81678004       4.76696006       6.27894997       0.09892072       0.38675559      -0.32806889
K        6.03572995      11.29870006      12.67959998       0.24201514      -0.01834194      -0.10351760
K        2.79900001      13.07990001       8.66675004       0.33835472       0.32767878       0.74119509
K        0.78807799       1.58995001       1.26479995       0.71934805       0.20385123      -0.09010381
K       12.32960002       6.35006998      12.26960002      -0.15057191      -0.14445037       0.20210527
K        0.86554905       6.49207999       2.78990007       0.01987450       0.01445211       0.00825155
K       11.74490007       7.62452994       4.29423998       0.14164696       0.79644143       0.12325156
K        2.24616005      11.03569999      13.03289997      -0.68445324       0.41914295       0.42925418
K        0.92052406       3.37475996      10.93120000      -0.07961519       0.26050809       0.28456295
K        6.22999002       6.68299998       3.98250996      -0.23011640      -0.11359588       0.28481424
K        2.29011994       1.44817001       5.97037999      -0.06969760      -0.84819255      -1.82482573
K       10.29469994      13.53190007       8.76472005       0.37867713       0.28250986       0.53641278
K        5.55981996       6.37833001      11.19609997       0.10314885       0.38662497       0.50722295
K        2.87459002      10.61770001       4.89498995      -0.71231946       0.23298877      -0.05582684
K        2.53333996       7.34710998       0.16026591      -2.09649138      -0.16525857      -1.55249613
64
Lattice="13.76443408 0.0 0.0 0.0 13.76443408 0.0 0.0 0.0 13.76443408" Properties=species:S:1:pos:R:3:forces:R:3 energy=-635.96719675 stress="-0.008049519555191353 0.00015847544940034118 0.0038109839456721153 0.00015847544940034118 0.0007778328767384796 -0.0011243464026459973 0.0038109839456721153 -0.0011243464026459973 -0.005561547874510091" free_energy=-635.96719675 pbc="T T T" config_type=melt 
Cl       6.65723007       0.76609798       3.06990004       0.56047887      -0.79876062       0.88899304
Cl       0.30822904       5.94153001       3.94047999      -0.24079422       0.50225896       0.19892636
Cl       2.45427994      10.39830002       5.67758006       0.55144751       1.04984024       0.61493277
Cl       9.22550995      11.48680000       7.93553995      -0.08525831      -0.73585580      -0.36854424
Cl       9.33737006       1.16233007      11.01680005      -0.37409914       0.08744492      -0.02295645
Cl      13.20340001       3.09947004       0.84166596      -0.00525712       0.29569197      -0.05760225
Cl       0.48664294       6.48610994      12.22869997       0.38465394       0.31627521       0.02606125
Cl       9.27415002       9.76620004      11.84269995       0.10769691       0.46157401      -0.98536657
Cl       9.63368006       5.74721997      10.08540002       1.21018073      -1.20101060      -1.40415156
Cl       5.70789003       7.38884993       8.62644007      -0.26916657       0.94848633       0.12218388
Cl       6.03180006      13.21089998      13.34419999       0.00665830      -0.28346301       0.01995416
Cl       2.78262006       0.04006593       3.16331003      -0.51914370      -0.74400321      -0.27423512
Cl      13.22610004      10.78659994       0.23930405       0.42639158      -0.27340867      -0.20713813
Cl      10.34890002       5.74681007       5.58606006      -0.12327268       0.37358043      -0.40822261
Cl       5.91374003       4.78962995       2.52169002      -0.86810461       0.61504556      -0.46941868
Cl       4.33649996       9.11212005       2.11286995      -0.31364969       0.08631776       0.43373980
Cl       2.26318005       4.07955005       9.10452002      -0.43691151      -1.85886682       0.20352842
Cl       2.88927997       6.17297994       6.44022000      -5.37517362      -0.23715462       2.93566806
Cl      12.89440003       1.23649999       9.75144994      -0.52772131      -0.23129499      -0.40705676
Cl       9.44577998       5.94532005       0.46259496      -0.18715868       0.16878106       0.28324142
Cl      12.62119996       7.91828003       8.33740003      -0.31621133       0.54227152      -0.42868520
Cl      10.66659995      11.18869994       3.28532004       0.15978867       0.59630293      -0.13535990
Cl       6.19893993       4.11401000      11.18219996       0.11131047      -0.29051449       0.74197489
Cl      10.93399996       1.92415006       6.19606000      -0.61190027       0.49109700       0.10427243
Cl       9.75927006       1.87016994       2.04527997       0.20805085       0.34132374      -0.10774744
Cl       5.68872003       8.80735002      12.67640003       0.12384844      -0.07250829       0.06542796
Cl       2.90483006       2.48049004      13.39387514       0.85892727       0.16357585       0.32580046
Cl       6.75519003       4.69878000       6.67327004       0.77182441      -0.59944096      -0.54892619
Cl       1.05740998      11.02370002       9.03389994      -0.11167747      -0.77393488       0.40111076
Cl       7.95737997       9.62906003       4.60627998      -0.21891641      -0.45205751       0.16264358
Cl      12.85629994      13.45659994       5.40379996       1.65463773      -1.57143278       2.73966416
Cl       4.36436000      12.80139994       8.55411003       0.16336564       0.28960252      -0.18705810
K        8.31832005       7.16214998      11.69730004      -1.48920277       0.31223583       1.05048969
K       10.97600006       3.83436996      12.43649998       0.03751158       0.01545725      -0.06431273
K       11.98399999       9.21681000      11.43369998       0.92258165      -0.40506140       0.09558183
K        7.82791996       2.10169997      13.54499996      -0.00663602      -0.05976999       0.07472286
K        1.29757003       9.07791007       3.78788004      -0.39565522      -0.96393112      -1.55926798
K       13.02480001      10.42389994       6.51192995       0.17735319       0.12659717       0.46454470
K        3.28169999       0.70191098       5.70403998       0.29495515       0.03479826       0.84371029
K        8.35215000       7.86607002       7.52735001       0.47179669      -0.45088505      -0.14428467
K        4.96019001       5.91859007      13.60650000       0.14319853      -0.30090265      -0.46554622
K        8.31659000      11.04530000       0.18923399      -0.31184716       0.89595394       0.87733096
K        5.18326000       0.91577299      11.01660005      -0.21339530       0.56652632      -0.11970803
K        4.50088997       1.87607998       2.07062002      -0.44995410       0.92841710      -0.90150727
K        7.85665997       3.37729000       3.87571007       0.84850039      -0.29125258       0.58857966
K        1.03806999       6.37433998       9.20840007      -0.51832469       0.69666252       0.39052737
K        3.58555001      11.96300001       0.97063802      -0.04383174       0.09781225       0.04888567
K        6.90121994      11.44050002       9.46387994      -0.35646174      -0.20534752       0.53301092
K       10.86760005      12.71509997       9.75660995       0.55551661       0.60340229       0.76746284
K        3.03036005       8.58941994       7.74883999       0.11168493       0.60779106       0.66330540
K        4.78669000       6.15644004       5.26484001       5.23930670       0.16390182      -3.52696383
K       11.54690006       5.05721000       2.54771994      -0.24065264      -0.47629390      -0.08904855
K        9.13891996       3.23010002       8.15408007      -0.03816585       0.35296531       0.34074925
K        9.82090004      13.01100007       5.66079998      -0.13424115       0.24715714      -0.72162142
K        7.18632996       8.09035996       2.11086007       0.04370552      -0.40968609      -0.07071542
K       12.05390005       0.17366586       3.15884994      -0.81777649       0.78922009      -3.18655597
K        4.87814999       4.62365001       8.70455007       0.27018701       0.13174090       0.17497169
K        5.36232001      10.97119999       4.76813995      -0.15173115       0.15831308      -0.19919134
K       12.76600002       4.21583006       6.43166995       0.07396876       0.21774850       0.02518221
K        0.64599504      13.50200000       7.86266002       0.25056519       0.43850349       0.08430851
K        0.84635096       2.37459006      11.53329998       0.10044865       0.59138408       0.35892572
K        2.86053006       9.37250006      11.98459998      -0.48348364      -0.09198869      -0.01758889
K        1.76351003       5.09372002       1.68623994      -0.25954521      -0.55452282      -0.78134793
K       10.95070007       8.67031998       4.22652007      -0.34522036      -0.97270935       0.20971648
64
Lattice="13.76443408 0.0 0.0 0.0 13.76443408 0.0 0.0 0.0 13.76443408" Properties=species:S:1:pos:R:3:forces:R:3 energy=-630.74345271 stress="-0.015509434027062794 0.0022817396862117537 -0.002143058072015527 0.0022817396862117537 -0.010928216953545003 0.001302709166332631 -0.002143058072015527 0.001302709166332631 -0.01372931405591011" free_energy=-630.74345271 pbc="T T T" config_type=melt 
Cl       6.03217996      10.42009999       3.04082006       0.68083282       0.29253293       2.12829366
Cl       6.56405999      13.39029612       9.62654995      -0.07449850      -0.12440243       1.38627501
Cl       0.60097804       7.30102995       3.72012998       0.07574439      -0.68291284      -0.47873223
Cl       2.56124997       1.85861002      10.08340005       0.28643575      -0.27828461       0.63019297
Cl       7.81043996       6.20924000       5.33233997       0.44646813       1.67009480      -1.34199728
Cl      10.79749999       3.79295994      11.44689993      -1.10285346      -0.48937217       0.57609096
Cl       4.25176005       1.61110003       2.63797003      -0.69816287      -2.12772639       2.42213963
Cl       9.76904997       6.19805006       2.07300994       0.27755592       0.11901378      -0.44443490
Cl       8.15032004       1.49870999       2.51238003       0.38437000       1.11069515       0.81947355
Cl       8.02992996       3.47484997       6.28609000      -0.53114616      -1.24080947       0.68794906
Cl      12.95160006       4.07047997       7.94166003      -1.72729408       1.45948552      -2.76396219
Cl       0.49230893       0.15668895       5.63810999      -0.11516321       0.20074739      -0.32460885
Cl      11.22230002       7.31388002      12.34170005       2.30049518       1.65169608      -0.19031590
Cl       3.86375001       8.62096004       6.90734002       0.45495119      -0.50246044      -0.13025355
Cl      10.33910001      12.48960000       1.31906994      -0.30341888      -0.44484693      -1.12816488
Cl       8.42643004      11.43099995      11.97149996      -0.70336023      -0.16576513       0.01416472
Cl       3.26256000       4.42147001       4.92794998       0.79711607      -0.59606368       0.36364495
Cl      11.43600002      10.48679996       5.42247995      -0.10595531      -0.36065113      -0.05821480
Cl       3.69272995      13.75099999       7.27858002      -0.02239680      -0.58535124      -0.42362450
Cl       7.48397002       2.72373003      12.16210007      -1.86384493       0.79863201      -1.12601546
Cl       6.00062995       7.23159995       0.72032697       0.57187736      -1.49067220       0.16276367
Cl       1.02233999       9.52265999       9.75889994      -2.59058675       3.37457245       0.36775906
Cl       7.52566001       7.04850999       9.81583996      -0.14030097      -1.35501405      -0.28126539
Cl       0.96724605      12.24550001       1.74540003      -0.25854474      -0.10639389       0.03009229
Cl       2.23473997       7.72604994      13.49789999      -0.12486834       0.24696718       0.07846308
Cl       2.02168993       3.34503002       0.99813606      -1.63895823       0.82363919      -0.77603875
Cl      12.16210007      12.45540006      11.57859997       1.93110851       0.62844861       1.77423132
Cl      12.39760004       2.14873002       2.82870999      -0.57599970       0.80974202       0.46724944
Cl       9.68608994      13.64001612       6.89001005       3.50905411       0.10495346      -0.30676108
Cl       4.99272995      13.12180004       0.45176703      -2.30841029      -0.45841141      -1.83179057
Cl       1.68494994       5.23562996      10.14580001       1.17259464      -0.02854244      -0.19358864
Cl       9.66984997       9.61098994       9.00340002      -0.23732097       0.23107297       0.16842850
K        0.28780702       9.96280998       3.94032995      -0.30949911       0.95721737       0.21693076
K        4.60137007       3.09772003       0.76384598       2.12158415       1.12423575      -2.42569043
K        3.48661993      12.54039998       3.12139994       0.17650922       0.04211681       0.25295866
K        8.60260998       8.83999994       1.81706001      -0.15626303      -0.10234078       0.22405891
K        0.97235899      12.68420005       8.18460999       0.25744221      -0.56110872       0.22646268
K        9.15469001       6.02062004      12.73930005      -2.25073242      -1.46191979       0.19243022
K        8.27304001       9.50210997       6.60693001       0.02255565      -0.15387724      -0.87843526
K       10.71000003      10.31389995      12.97149999       0.28712029      -0.30963966       0.02113782
K       13.18189997       4.04897002      10.41080005       0.02026121      -0.50999013       2.25304496
K        6.87785000      12.99070000       1.99434000       2.16073909      -0.67711372       1.20426605
K       11.42280006       7.79089006       8.16398000       0.74405339      -0.54069424      -0.01369744
K        0.56493202      10.90080000      12.89099994       0.28063797      -0.56940994      -0.38085481
K        6.00878001       6.01349006       7.20382001      -0.64204863       0.13939016       1.16206350
K        4.47325003      13.50920004      11.41159994      -0.21324033       0.34682041      -0.11126340
K        4.58787996       2.51110999       7.37676999       0.14979550       0.41229512       0.47036774
K       12.93690006       0.69014996       0.61266694       0.08939368      -0.59211655      -0.91539462
K        4.63025005       6.76026002       3.88720006       0.19292692       0.68391151      -0.19904043
K        7.33555996      13.51710000       7.24707998      -3.02571464       0.01821722      -1.56000962
K        0.67914502       5.17058007       5.47445996      -0.62645410       0.09297878       0.55211832
K        8.83294994       2.99302003       9.07238998       0.20296819      -0.10238260       0.57332464
K        9.28261005       1.94603001      13.75050007       1.52880227      -0.59775232       0.51760012
K       13.59011509       5.82202004       1.01038998      -0.04093922       0.29779179      -0.17567737
K        5.17198996       9.68239997       0.79578195      -1.53615507       0.72649951      -2.20504374
K        3.30421998       5.16181997      12.49980000       0.05670956       0.18901904      -0.00181336
K        1.01479997       2.30238005       7.85926998       1.04591974      -1.28087669      -0.66893968
K       11.18729995      13.18269996       3.69902002       0.37031298       0.36893860       1.83299712
K       10.29220005       4.22339003       3.98364002      -0.40217606      -0.42810769       0.39023082
K       10.58120003      12.13989996       9.67685001      -1.66615729       0.39760978      -1.74974418
K        6.93717003       9.62918006       9.91844005      -0.32901478       1.24742207       0.53184698
K        1.41388005       2.18014004       3.45314001       0.28293146      -0.46122077       0.59307418
K        6.11237995       2.84834000       4.14784999       0.76285159       0.49584204       0.35459919
K        2.51180000       7.70008003       9.56499994       2.67935997      -1.67636821      -0.56135121
64
Lattice="13.76443408 0.0 0.0 0.0 13.76443408 0.0 0.0 0.0 13.76443408" Properties=species:S:1:pos:R:3:forces:R:3 energy=-634.26223904 stress="-0.007788286084070664 -0.0007726763291439486 0.0013736665492603847 -0.0007726763291439486 -0.007361156714489489 -0.00284650278926352 0.0013736665492603847 -0.00284650278926352 -0.004001571485170432" free_energy=-634.26223904 pbc="T T T" config_type=melt 
Cl       8.59136003       0.51290493       3.78240000       0.18551427       0.45149797       0.33907170
Cl       5.86652995       7.43732001      10.40209997      -0.02690030       0.48101855      -0.37409252
Cl       8.00501001       6.30350999       5.03246003      -0.21615948       0.13298714       0.28189918
Cl      11.11529999      11.74140005       4.93532001      -0.19513638      -0.96030718      -0.53892465
Cl       1.07553003      10.11710006       8.32943001      -4.67270622      -1.62797425       1.24188180
Cl       8.07831993       4.01806005       0.69502904      -0.59194406       0.02961100       0.44106597
Cl       4.18491996      12.51270002      11.76830002      -0.60629948      -4.13535355      -2.29512383
Cl       4.37245005       7.56229006       0.73672399       0.00547965      -0.27858315       0.64126897
Cl       1.06891003       1.74697000      10.34939994       0.57586078      -1.57617108      -1.37327068
Cl       2.70173997      12.76340006       1.53930997      -0.79999901       0.00245003      -0.50704508
Cl      12.14710000       5.18762994       1.40076998      -0.05471986       0.10325593      -0.07545509
Cl       1.84268003       3.00411004       0.63109600       0.24071263      -0.49384592       0.13211560
Cl       1.02863006      13.30810001       6.52220001       0.26684970      -0.13757459       0.02758747
Cl      11.97719995       4.15852005       5.29241004      -0.12141346      -0.00760402       0.34159881
Cl       1.32007998       6.76791002      11.95960005      -0.15928112      -0.08758977      -0.46501899
Cl      10.41659997       7.01279995      10.93980001       0.24796235       0.77331608      -0.46023810
Cl       4.41288004       3.32208994       3.94453003       0.21076373       0.26796492       0.24454607
Cl      10.85559994      12.54199996      12.69099996       0.00884627      -0.09181948       0.21090045
Cl       2.62846996       6.96030997       5.86096004      -1.29424480       0.57472997       0.36811321
Cl      10.93330004       9.52035995       1.62499000       1.20885040      -0.07066083       0.29795223
Cl      11.45669994       2.98861996      11.47569995       1.36643785       0.56971466      -0.43129967
Cl       7.54991996       0.99767096      11.91670003      -1.14799776      -0.18511920       0.56911789
Cl      12.48010006       0.62607694       3.14076994      -0.11297208       0.76498139      -0.60011344
Cl       1.74666002       9.03532002       2.65726006      -1.31593719      -0.62058152      -0.36758590
Cl       0.23736588      10.65049996      11.96320000       0.39108956       0.52437542       0.39324636
Cl       6.47416998       4.52990003       8.14479004      -0.79447878       0.47221950      -1.27138951
Cl       5.07902002      11.77420001       5.85523004      -0.11596609      -1.04476004      -1.02832463
Cl       9.41630001       0.59552595       8.33331007      -0.36673702      -0.12687182      -1.31436526
Cl       8.03616993       8.58280998       1.39261001      -0.92397136      -0.19073848      -0.03035716
Cl       5.33156999       3.55029999      11.35950004      -0.57109509      -0.45014983      -0.57877968
Cl      11.45979996       8.61611000       6.12317003      -0.40457227      -0.29948302       1.01261366
Cl       5.99050002      12.42949994       2.41983004       0.33992535      -0.03051421      -0.07964440
K        3.05709003       0.41534097       3.91498000       0.07985684       0.42974031       0.31855645
K        3.93127998      10.38870001       2.37628006       1.67225713       0.22442817      -0.00318932
K        5.88607999       5.80039006      12.77660001       0.31461561       0.31751202       0.37719750
K        9.40912998       7.40097998       8.13842000      -0.36182734      -0.25415657      -0.37123169
K        7.14926000       1.14954002       1.28328999      -0.25041129       0.05414171      -0.22540329
K        8.04960994       9.88451994      12.30760005      -0.01128974      -0.15347916       0.46204478
K        3.32277004       5.61351006       9.43009995       0.68904306       0.07001753       0.70055843
K       10.77029995       6.75244004       3.88144006      -0.15324823      -0.10658148      -0.41861099
K        7.92241996       3.08520994       9.67307002       0.54989286      -0.67511114       1.69725010
K        0.51324602       3.61662997      11.97069997      -0.36738653       1.70569748       1.28510284
K        2.84482993       9.45525005      13.02580000      -0.29215031       0.13585958      -0.40106623
K       12.36270004       7.64535002      13.51390004       0.19350146       0.29460592       0.05445009
K        1.94882006       5.52059999       2.21782004      -0.04804501      -0.00898077      -0.15975211
K        1.64353000      12.34000001       9.46898999       0.40795754       2.03609990       1.42133506
K        4.33294006       0.86270600      12.75340006       0.31840505       4.05910697       1.73614245
K       13.63718010       4.58641996       7.68883999      -0.20175262      -0.25463700      -0.29222679
K        9.97094999       0.98892999      10.93410002       0.62089931      -1.73168212       0.44676683
K        0.64985197      13.67390003      13.44280000      -0.20663752       0.29684100      -0.41800858
K        7.83817006      10.48140004       3.94960002       0.06014902      -0.01980465      -0.21975179
K       12.28060001      12.02160002       7.45239000       0.19778462      -0.21448925       0.24074831
K        5.02776994       5.89999005       6.03902997       1.31805188      -0.65600230      -0.18325428
K        6.09698003       5.82776999       2.73483999       0.38489520       0.03522214      -0.43859677
K        5.46361000      13.56740006       7.60879004       0.20669324       1.05430104       1.41235620
K       10.22699999      12.21780005       1.95807003      -0.37802956       0.45314962      -0.15100362
K       13.31550004      11.91920006       2.45794996       0.52807403      -1.14900061      -0.02388723
K       10.41269996       2.75029002       1.99234994       0.54654357      -0.06204357       0.40014496
K        0.18289106       8.85656998       4.88793994       0.05087423      -0.06423741       0.42692378
K        7.71552001       2.17066997       6.44143003       0.06953073       0.47044848      -0.83614406
K       12.70609996       9.24269003      10.02440004      -0.39819467      -0.72986194       0.07270655
K       10.99809996       0.57867305       5.58938004       0.09571713       1.23356991       0.02792751
K       10.11409997       4.84475995      12.70600003      -0.41288960       0.86912177       0.86295907
K        3.08769002      10.16759998       7.21815003       4.22135917      -0.39221622      -2.55299496
64
Lattice="13.76443408 0.0 0.0 0.0 13.76443408 0.0 0.0 0.0 13.76443408" Properties=species:S:1:pos:R:3:forces:R:3 energy=-637.83453628 stress="-0.003149229145211604 0.0007503244738396822 -0.0010487923417338136 0.0007503244738396822 -0.009034514935545863 0.0023547643256186007 -0.0010487923417338136 0.0023547643256186007 -0.007523675956512872" free_energy=-637.83453628 pbc="T T T" config_type=melt 
Cl       5.25822001       3.57997005       8.50715996       1.08536687       0.04869201       0.63269914
Cl      11.62529994       6.23040006      10.66780007       0.83156004      -1.76522294       1.03409427
Cl       2.56751994       6.34275996       7.48017998       0.90930573      -0.20262182      -0.98174150
Cl       1.37631003       1.09525006       1.63522000       0.63708090      -0.29991321      -0.11819375
Cl       2.98154999       3.06932001       4.75014006       0.51883353       0.22618285      -0.72684920
Cl       5.82506005      12.66030004       2.42198996       0.36305980      -0.71449619       0.69399404
Cl       3.84353006       9.39028000      12.92019995      -0.41699451      -0.02554106      -1.01569976
Cl      13.25920007       1.87911999       4.63512996      -0.11856492      -2.16901596      -0.56957000
Cl       7.85111001       1.00304005       5.88168996      -0.62087706      -0.65996173       0.04537787
Cl       6.99241001       7.58510007       2.65918997       0.74273972      -0.12181525       0.58383365
Cl      12.59170003      11.82730003       5.81363998       0.43082490       0.24165556       0.19675856
Cl       0.62276604      11.48289999       0.16872003       0.05031647      -0.95348183       0.64588828
Cl       1.24307003       8.80251994       9.98193002      -0.05647204       0.62278460       0.53164727
Cl       8.79483994       2.62654005      10.49949999       0.12818924      -0.42346648      -0.25211592
Cl      12.06120002       8.34261001       4.66080999      -0.30645931      -0.08701914       0.60878396
Cl       3.88806007      11.52670007       8.27726005      -0.44299301       0.51967328      -0.63255501
Cl       9.43106002       5.61374006       7.26939997      -0.01412031      -0.16065753      -0.41276509
Cl       9.86179005      11.92309994       1.45760994       0.33330659       0.34919911       0.37515659
Cl       9.14602998      11.62320004       8.78802998      -0.42277194      -0.04390204       1.03301458
Cl      12.41319996       2.99428994       0.31689402      -1.40481911       0.31843435      -1.35309373
Cl       5.32481000      12.72790007      12.20579994       0.53213514       0.22906035      -0.20701477
Cl       2.17797999       0.36521696      10.01429998      -0.09851593       0.27031227       0.24179101
Cl       6.78590000       5.02802004      12.22940003      -0.93508811      -0.04879018       1.13219462
Cl       6.05443003       7.87688006       8.82547007       0.09113129      -0.48349137      -0.11063011
Cl       8.77663000       3.66544003       3.59622998       0.29000476       0.30300209       0.04319013
Cl      13.01939995       3.46971996       8.09708003       0.18065046       0.09928998      -1.15554178
Cl      10.14469996       9.58731993      12.01370006      -0.77453951      -1.00288234       0.98133603
Cl      12.70159995       6.94210004       1.37533000      -0.23325784      -0.17112230      -0.50356588
Cl       2.99038001       9.84827998       4.81538995       0.55608831       0.13584363      -1.70414862
Cl      11.88900007       0.40846605      11.09190004       1.00444273       1.84320017      -0.19542800
Cl       1.62864005       4.37144001      12.13499996       0.41300769       0.15606879      -0.63275925
Cl       3.45610996       5.97524999       1.55509998      -0.43787377       0.07769337      -0.11106057
K       12.54190003       4.15622001       5.10049006      -0.78648980       2.49362686       0.81144005
K        4.05441000       6.45960996      10.71650001       0.19911205       0.07898900       0.00528497
K        2.84979999       3.47735000       7.43294994      -1.35592427      -0.29898367       0.37574088
K        5.34905000      11.65899995       5.64196004      -0.04583565       0.02779064      -0.17216275
K       11.25769994      11.76679997      11.12740003      -0.38915614      -1.05879436      -0.30569176
K        0.61223996       6.12994006       9.23384996      -1.33267805      -0.50864743       0.87806556
K       12.05790000       9.81182997       2.19364006      -0.39199936       0.61138232      -0.26977870
K        9.90904004       2.27281997       7.26724997       0.62585899       0.38486515       0.74838215
K        4.08350994       3.12276001      13.24029998       0.29952028       0.47157512      -0.03098415
K       10.46450007       8.17290004       9.57866995      -0.99343650       1.29987152      -1.22736239
K        6.83722000       3.90854003       6.04380003       0.15996020       0.01742811      -0.06124232
K        7.72479999      10.80599994      13.71740005       0.08960835       0.03821911      -0.21258638
K       13.66809997      12.89770005       8.48127003      -0.08357534       0.25152571      -0.15472392
K        7.49040998       1.08622004       2.98251997       0.40419339       0.21504444      -0.06401962
K        3.70186003      12.84959996       0.82779100      -1.08130752      -0.11953183      -0.26122083
K        1.81720000       0.43784197       4.54054999       0.15166848      -0.44374684      -0.07549245
K        9.80692006       4.62030002      13.11120005       0.05855494      -0.02932696      -0.16952657
K        4.60271003       6.59825002       4.06734003      -0.07196709      -0.14111330       0.46707173
K        9.84998002      11.28740001       6.27475994       0.25742861      -0.07026693      -1.17172739
K        0.63968996       7.44291002       3.42956002       1.14146276       0.01958629       0.50104265
K        2.36909998       9.11750002       7.25434994      -0.30920949       0.14105316       1.17431446
K       12.93950003       3.15735994      10.76960003      -0.32249735       0.03239144       1.00267053
K        9.64227003       6.73763006       4.46747997      -0.44823603      -0.21881699      -0.27659545
K        0.91199506       3.93590001       1.11296998       1.12233555       1.00427917       0.81406164
K        5.01532001       9.04461005       1.46605001      -0.16999047      -0.10009690       0.91612524
K        0.66704994       0.04826926      12.78250000      -0.44845313       1.67823369      -0.90932571
K       11.80950000       1.09430004       2.02782997      -0.22410260      -1.08935018       0.83003570
K        7.96279999       5.28474999       9.84941995       0.09616323       0.27129717      -0.95289292
K        5.85469997      10.46479999       9.75502002       1.01735622      -0.02840514       0.82931597
K        5.99369997       0.91102302       9.69970998       0.23498946       0.09751979       0.09567163
K        0.46319303       8.76753006      13.25910000       0.20404104      -0.81463603      -0.72348102
K        2.85835005      11.53240006      11.27899999      -0.42209154      -0.32065318      -0.50743590
64
Lattice="13.76443408 0.0 0.0 0.0 13.76443408 0.0 0.0 0.0 13.76443408" Properties=species:S:1:pos:R:3:forces:R:3 energy=-635.93618317 stress="-0.003523651934941529 0.0006646623950037855 0.005117490833130499 0.0006646623950037855 -0.01066630581057097 -0.0017766054834695538 0.005117490833130499 -0.0017766054834695538 -0.0059045462012024385" free_energy=-635.93618317 pbc="T T T" config_type=melt 
Cl       6.46937005       7.49486994       1.78624998       0.53521305       1.23753579       0.69864874
Cl      10.96020001       6.17103007       0.92305093       0.26584819       0.02824621       0.24645910
Cl       9.98182995       4.87848006      10.62570003      -0.03477965      -0.45596552      -0.10576456
Cl       4.47709003      13.31380000       2.68232000      -0.38938512      -0.17715221      -0.12928833
Cl       6.24275997       1.26230005       9.90500996       0.90170448      -0.43522100      -2.17323497
Cl       8.35431996       2.20106006       4.68252999       0.74311601       1.81713796      -1.23643159
Cl      10.41619998       9.58219007       5.10515001      -0.39658522       0.33621117       0.62173330
Cl      13.62270005       2.26000996      10.91630000      -0.28419793      -0.12291407      -0.46494993
Cl       0.21296195       9.89113004       1.73010003       0.44766264      -0.54006478       0.10890718
Cl       3.90700006       7.75235006       6.75722001      -0.08805391       0.29565499       0.47710230
Cl       9.58356004      12.90050002       8.65887004      -1.11412506      -0.64309433      -0.73740517
Cl       7.48415997       3.56960997       1.35152001      -0.21098912      -0.24609645       0.84767328
Cl      13.18020006      13.08010000       5.23112995      -0.13963820       0.46984912      -0.82363268
Cl       7.95399007       0.93042702      12.87930003      -0.70670496       0.95959739      -0.34547944
Cl      12.43090006       7.66323002      10.53530005       0.08934506       0.57826010       1.35722479
Cl      13.32949999       5.49798998       4.16957000      -0.37966106       0.68012321      -0.16229893
Cl       2.02034006       7.77355004      12.65640003       0.08415197       0.46060714       0.62817271
Cl       1.32190005       5.10830000       8.07886996      -0.29102116      -0.25166224       0.58654774
Cl       9.25731006      12.82770006       2.24321997       0.08136204      -0.49604786       0.05869151
Cl       3.81023995       5.50485004       3.48934997      -0.21913046      -0.35779218      -1.66943856
Cl       5.61132000      11.55609993       6.28338006       0.04554734       0.22806370       0.06420420
Cl      13.16120005       2.53471999       1.75288994      -0.09730022       0.11641229      -0.04707826
Cl      13.14830002      12.75680001      13.64439996       0.54499905       1.29041099      -0.90456122
Cl       9.78769995      10.06560002      12.67549997      -0.57155516      -1.33001424       0.31041944
Cl       5.68935003       5.46625002      11.71360002      -0.34574739       0.33545895       0.58073631
Cl       8.50082997       6.11131995       7.27007002      -0.16927926       0.17744141      -0.16845559
Cl       3.09813998       3.15646002      13.27550005      -1.02910310       0.65435676       1.08489157
Cl       6.94588994       9.23751997      10.78769999      -0.74408944       0.16732106      -0.38564681
Cl       2.74867999       1.68460004       5.63322995       0.06828297       2.76928710       0.40827762
Cl      12.32110006      11.76599998       9.83580995       0.80007432       0.07716513       1.04115133
Cl       1.38958996      11.69289996       7.62519999       0.77638159      -0.34457943       1.15468714
Cl       4.06748001      11.80639997      12.44849995       0.49651268       0.14687451       0.17745135
K       12.75070003       4.39629005      12.12710000      -0.63030061       1.28755225       0.75788853
K        7.09691000      10.16759998       1.01266001       0.70199506       0.19209165      -0.37633164
K       10.28309996       1.93925006       1.77151997      -0.09465423      -0.06240186      -0.04235883
K        2.20208000       5.71268005       5.53817002      -0.54852092       0.24603932       0.60162954
K        1.05717006       6.42902002       1.48004996      -0.24002801      -0.17402902      -0.04651820
K       12.65979998       6.71347003       8.17448006      -0.21710037      -0.35933028      -1.23607507
K        1.52795996       0.56531893       1.01350006       0.18584858       0.39737574       0.03298069
K        7.60364998       0.14368596       5.90532005      -0.55519759      -1.63455396       1.20374721
K        8.51887005       5.26903996      13.23690003       0.13422814       0.58285272      -0.67568527
K        0.94501305       0.10441906       9.93282003      -0.06455080      -0.42334216      -1.03173596
K        2.49871002      12.99630006       5.34722001      -0.11520431      -2.27893164      -0.50444567
K        9.39700007       7.96235994      10.16119993       0.37501295      -0.30970724       0.11995441
K        9.94651000       5.01639005       3.46527997      -0.20226851      -0.10222592       0.19117357
K       12.56299995      10.34559999      12.70250001       0.09466595      -1.53280785      -0.80226777
K        8.13144996      10.31060007       6.79327994       0.41477888      -0.26674719       0.16031087
K        1.69099004      11.38970004      11.09130005      -0.70826537      -1.02770133      -0.13777004
K        5.72566005       6.43853000       5.09192004       1.52925039       0.33814526       0.43016098
K        6.66548006      12.01889999      10.23639999       0.38771485       0.79684961       0.19204514
K        4.60527999      10.09200007       8.58081001      -0.47570136      -0.48305897      -0.18347024
K        9.52897002      12.64259994      12.98520001       1.23031721       0.23820280      -0.18834364
K        4.93168001       1.80337995      11.98519997       0.11946728      -0.24951116       1.28817230
K       10.31979994       1.68806001       9.34994002       0.13144083       0.54301131       0.50762578
K       13.38180002       3.58493997       6.21887001       0.18370677      -1.08141259       0.02299423
K        5.13387005       5.45391998       0.86913000      -0.79010812      -1.19439960      -0.89181206
K        2.74995004       6.12661995      10.50060005       0.28706001      -0.27943703      -0.08009923
K        7.00597004       0.59668395       1.76607999      -0.41562114       0.53290383       0.22003386
K        3.64920997       9.81535999       1.19267995      -0.54176993       0.02652211      -0.24951711
K       12.28450002      11.15580005       7.05543005      -0.16279068      -0.03416620       0.04212181
K        6.56590002       4.22299004       9.53728002       0.84375787      -0.19867244      -1.06051344
K        4.22486999       2.59270005       3.34188003       0.09910405      -0.21762790      -0.16046323
K       12.06120002      12.06710001       2.20604994      -0.10563964      -0.03439275       1.56711994
K       11.85020006       8.38425004       3.19604007       0.48051779      -0.66250017      -0.76986504
64
Lattice="13.76443408 0.0 0.0 0.0 13.76443408 0.0 0.0 0.0 13.76443408" Properties=species:S:1:pos:R:3:forces:R:3 energy=-636.052927 stress="-0.011700732476447831 0.000674238030923588 0.001272588254959013 0.000674238030923588 -0.007168815760315457 -0.0015791421352389268 0.001272588254959013 -0.0015791421352389268 -0.0074383821454399295" free_energy=-636.052927 pbc="T T T" config_type=melt 
Cl      12.19430003      12.14710000       8.84845007       0.35221115       0.41336226      -0.05339252
Cl       3.31833004       7.30869000       5.42717004       0.52614690      -0.38299417      -0.48648525
Cl       2.30714998       7.21339001      10.87809997      -0.18254637      -0.72824187      -0.34795088
Cl       8.65105996       5.83193002       1.23702001       1.12106219      -0.36878305       0.46414703
Cl       2.76066000      12.43350002       5.98762999       1.20081232      -1.13682098      -0.16890439
Cl      10.67619995      12.42270003      12.93420003      -0.34780906      -0.06437877      -0.59467320
Cl      10.15349997       5.24396997       6.14151995       0.46392739       0.10899007      -0.12829817
Cl       6.86920001      11.46429997      11.07170004       0.11421469       1.23944452       0.57363966
Cl       8.48420006       2.54244995      13.11490007      -0.56947506      -1.61092335       1.15352985
Cl       5.35319006       8.62018001       1.41995994      -1.02388129       3.63693707       1.11375387
Cl      12.54079998       6.20596998       2.34129004       0.25810340       0.15113043       0.12893232
Cl       5.10773001       0.99179699      13.67539994       0.17276823       0.21410686      -0.15162636
Cl       3.07323998      10.66319999       9.52052995       0.64702069      -0.66015077      -0.37467487
Cl       9.41806007       9.19713993       6.58430995       0.39355302      -0.43700637      -0.05995265
Cl       6.63943004       6.38725997      11.38280007      -1.96613847       1.46098883      -0.04785297
Cl       0.68242605      11.63750004       0.31886592       0.45701295       0.17801856      -0.42472888
Cl       8.50265005       0.70943504       6.68070999       0.06806029      -0.07741062       0.19052801
Cl       1.67345994       1.25677005      11.23050004       2.23582604       0.16527675       0.04108742
Cl       0.16617801       2.93652006       0.58177707       0.43232716      -0.23658104      -0.05246718
Cl       8.57059005      10.34590006       2.57782001       1.20513111      -0.87956395       0.23960876
Cl      10.22850003       3.02234007       3.29558996      -0.56412618      -0.38831430       0.41272053
Cl       0.88600699       3.35547998       6.24633996       0.61797436      -0.08699576       0.43413012
Cl       7.70077995       4.31287001       8.26265998      -0.49721698       0.13800365       0.21584352
Cl      12.77740000       7.53372005       8.03565005       1.16539224      -0.01655660       0.21889288
Cl       2.99511002       6.07951998       0.87981795      -0.00334035      -0.41712784      -0.07333236
Cl       5.17152004       3.27074006       4.62793006      -1.53568357       0.10239813      -0.45771205
Cl       3.74994994       2.01822006       8.72214996       0.07602553      -0.66297652       0.50165591
Cl       5.19711996      13.08859995       3.28211004      -0.49081824       0.33001224       0.11008691
Cl      10.16469995       7.86209994      11.00540007      -1.58903259      -0.42085138       3.49273975
Cl      12.09889998      11.53979995       4.36158000      -0.18922271      -0.28931430       0.59173561
Cl      11.22380007       2.12899994      10.87820004       0.14334542       0.34471888      -0.86243139
Cl       6.15183997       9.99674000       6.71333005      -0.63093399       0.85670842       0.28396051
K        0.37643704       5.79377996      13.03770004      -0.05065449      -0.09095000       0.42111909
K       11.78510006       9.46693000      10.05400004       1.61681715       1.74431408      -0.72328229
K        0.58091899       1.97249007       8.85815000      -0.06068782       0.16356873      -0.46949835
K       10.18549994       6.87800994       8.74836006      -0.94787691      -1.49488096      -2.54486078
K        3.91223000       3.85625005      11.59140006      -0.10593369       0.27855691       0.19958495
K        0.31449901      12.24760005       6.23222000      -2.37629768      -0.04197347       0.57805710
K        6.66462997      11.77739996       1.56597994      -0.81830735       0.34210773      -1.26310967
K        5.74663003       9.55405006       9.66712998      -0.22062565      -1.11288313      -0.55841480
K        5.50147004       0.70425094      10.90960002       0.06579948      -0.37808938      -0.44451057
K        2.69397999       5.00129997       3.88651005      -0.27125662      -0.20177436      -0.62813659
K       11.04680004       3.36762007       0.61008005      -0.33538385       0.29252995      -0.15566399
K        2.65262998       7.95553003       7.93576004      -0.68565984       0.60248326       1.27029645
K       11.79590005      11.76570006       1.66259003      -0.02961484      -0.10673071      -0.31765373
K        4.53286998       0.49850403       5.68208007       1.06251849       1.21759674       0.66661340
K        3.05191997       8.71695003      13.11320003       0.18416841       0.32233126       0.47868969
K        8.37379994      10.47160004      13.24410007       0.77150120      -0.77550092      -0.07276661
K        6.95477997       7.66171002       5.79810007       0.49521424      -0.87369739      -0.15725947
K        8.35632998       4.52876997      11.51810005       1.51308161       0.13214443      -1.13589611
K       11.11840002       2.56587000       7.65813003      -0.86440389       0.05926749      -0.01868752
K        7.64271001       3.72605997       5.33909996       2.04846300      -0.26291528       0.58449321
K        9.96297006       6.90812005       3.69183994       0.01121474      -0.07659576      -0.55862999
K        2.68766996       0.23496591       0.97914307      -0.76997869      -0.17592260       0.27029416
K        8.95592002      13.11280003       9.87833999       0.79131884       0.31596800      -0.15334457
K        8.75257005      11.71010000       5.10049006       0.13469719       0.31594638       0.53854442
K        6.56980995       2.38194000       2.01176000       0.58535161      -0.01981236      -0.20255117
K       12.26120000       8.70653999       5.58705000      -0.21731604       0.23090572      -0.45709880
K        1.09364994      12.03929998      10.52349994      -0.80029443       0.46602331       0.56967823
K       13.22490006       0.64581293      12.26849997      -2.13134517      -0.63529339       1.49175505
K        6.18991005       6.48028001       0.70696597      -0.22493791      -2.49777587      -1.45594572
K       12.68460005       3.99052995       4.42435999      -0.66324778       0.36222698      -0.69469969
K        4.10076999       4.27551994       7.40882997       0.33813435       0.80441709      -0.61612370
K        4.28743994       9.88314997       4.42449007      -0.10514791       0.61930249      -0.32350120
64
Lattice="13.76443408 0.0 0.0 0.0 13.76443408 0.0 0.0 0.0 13.76443408" Properties=species:S:1:pos:R:3:forces:R:3 energy=-633.92883757 stress="-0.008148816610169326 -0.000210979910461567 -0.00575948419181926 -0.000210979910461567 -0.007579912733925721 -0.004791514406299843 -0.00575948419181926 -0.004791514406299843 -0.012975624584772371" free_energy=-633.92883757 pbc="T T T" config_type=melt 
Cl      13.24940006       2.43040003      11.28520004       0.35381387      -0.42336324      -0.19677080
Cl      12.69540004       1.41204002       4.36015001       0.20399231       0.34525963      -0.04661627
Cl       4.20039999      11.76400001       6.81808001       1.04225009      -1.94148876       0.57712603
Cl       4.04539994       4.50835002      11.96049997      -0.09466547      -0.10533159       0.23442080
Cl       9.90792994       4.46913006       1.43884007       0.37903652       1.11983152       0.12563147
Cl      10.05930004       2.25796002       7.95988001       0.21689127       4.12963863       4.53890727
Cl       4.11356004       4.85690995       4.01339997      -0.45389799      -0.03828803       0.74042614
Cl      11.66779997       8.46795004       3.28096002       1.60250319       0.91445379      -0.34786702
Cl       7.16970005       9.01699006       5.66847007      -0.11329123      -0.02463879      -0.13330989
Cl       0.33793998       4.87589000       5.32439005      -1.77728825       1.55966643      -0.74022893
Cl      10.34610005       6.21962994       5.86314996      -0.37397281       0.77057436      -0.05095451
Cl       6.47353007       9.28840006       9.74394997       0.05243072      -0.15853269       0.06858505
Cl       3.79530994       7.73827000       2.18261998      -0.37547512       0.55698735       0.06015862
Cl       6.62127998       4.62919005       9.43522996       0.07363711       1.08643547      -0.65830021
Cl       4.19835005       0.14721902       3.61035999      -0.25587024      -0.13493757      -0.14057348
Cl       1.20342007       1.81034999       7.52458996      -0.06447849      -0.61302368      -0.50081775
Cl       5.23711996      13.54370004       9.84423998      -0.05659580       0.03718187       0.08402721
Cl       1.21508997      11.43309999       9.23673994      -0.95992285       0.43770750      -0.16481535
Cl       1.02828994       3.90149993       0.85943103       0.89533342       1.29247535      -0.21070787
Cl      11.30740001      11.28930005      10.22440002       0.35845566       0.14784766       0.27981128
Cl       2.90205006      12.87600001       0.20481794       0.46582767       0.35825331      -0.07504424
Cl       2.72643997       9.10728998      12.28250005       0.05461908       0.78932449       0.83185025
Cl       6.45767000       2.80488995       6.82132002      -1.00371231       0.54035962      -2.18006707
Cl       7.92765003       1.24103001       4.12153006       0.56739649      -0.28378078      -0.19004590
Cl      12.70549997       7.64017006      12.79240007       0.84075254      -0.16210017       0.85487778
Cl      11.54540001      12.29510001       0.89109102      -0.10097266       0.25895211      -0.93060478
Cl       0.63362797      11.18400007       4.39661998       0.82270563      -1.28362897       0.18570228
Cl       2.26853001       7.11388995       8.01617998       0.58254220       0.70540933       0.12909501
Cl      10.97829996      11.58460002       6.14054997       0.39739935       0.16584746       0.53926873
Cl       8.14422005       9.52232001       0.15815101      -0.24467731      -0.68276462       1.54592536
Cl       8.13714004       1.28385997      13.02169999      -0.95635145      -0.39976483      -1.26246675
Cl      11.29820000       6.94907007      10.17560001      -0.14862069      -0.12563459      -0.53801568
K       12.47379994       8.62936997       5.86537993       0.09470428       0.03926895       0.47551716
K       12.43110005      12.58729995       3.36039993      -0.59885881      -0.11545234       0.59385835
K        8.97693996      11.02909995       4.42277998      -0.58245053      -0.29045007      -0.63062223
K        0.69314098       6.59634998       2.16191001      -0.11806722       0.25917945       0.11566457
K        5.71420006      12.83369998       1.15542995       0.13057826       0.68402605       0.04615671
K        3.86934993       4.08749006       1.38592999       0.10981146      -0.06477896      -0.89656985
K        5.55428996       7.18803001       7.96173999       0.13497146      -0.28889973      -0.06619468
K        1.82157998       2.89196004       4.62692002       0.97493464      -1.44700031      -0.73724792
K        1.87824994       4.47618997       7.40876996       0.84058914       0.14400094       0.82149090
K        6.85032003       5.53937000      11.87590004      -0.00570765       0.31931539       1.01914403
K        2.46866997       1.97816005      10.06340005       0.68452844      -0.15886323       0.80802462
K       11.12840001       3.71980004       5.20960995       0.31144221      -0.11715007      -0.29563769
K        4.05972004       9.17181998       5.05599005       0.11333203      -0.07055456       0.06312986
K       11.71830003       4.58974999      12.40419994      -0.06852430       0.62605605       0.06907459
K        9.19799994       1.89907002       1.48297999       0.39679050      -0.84606169       1.26573278
K        3.55008994      10.41750003      10.07569995       1.32770221       0.56207626      -1.00845373
K       10.03050003       5.08860006       8.52835003      -0.46790435       0.15874706      -0.00344255
K        5.92701996      13.73700005       6.07332998       0.28595744       0.64014749       0.01378848
K       13.04819996       2.14593997       1.42746004      -1.19345465      -1.28908659       0.01953582
K       10.66220001       9.85704999      13.19910000       1.41841728       0.16482338      -0.72925063
K        1.98120997       6.57909998      11.91980005      -0.47184688      -0.93483230       0.10164284
K       13.07970001       0.06079640       8.86879005      -0.49653112      -0.34340338       0.44384099
K        6.27519999      10.38779996      12.36230004      -1.16496212       0.55511464      -0.89566188
K        0.75711903      12.00739994      12.46649998      -0.74634495      -0.41352656      -0.60872164
K        2.15578993      12.93830004       5.91798003      -1.20794207       1.25580131      -0.12967004
K        0.14546405       8.40365004       9.39582004      -0.67686229       0.57971862       0.64897730
K        7.55106998       2.14624003       8.97819005      -0.13898860      -1.54198615       2.34006440
K       10.38300003       0.81537204       6.31702997       0.66874269      -4.69448282      -5.22200901
K        2.47894003      10.86120000       2.09346994      -0.02033468      -0.53519826       0.13337037
K        6.83677995       4.34201000       4.12365997       0.48389575      -0.44471654       0.53079803
K        9.42218995       7.56285000       2.62080000      -1.71787994      -1.00236094      -0.49062406
K        9.03298997      10.60069997       8.73226999      -0.22953210      -0.22839864      -0.22431266
64
Lattice="13.76443408 0.0 0.0 0.0 13.76443408 0.0 0.0 0.0 13.76443408" Properties=species:S:1:pos:R:3:forces:R:3 energy=-635.54966024 stress="-0.00265434331945034 0.000844876764787704 0.0010065492587170324 0.000844876764787704 -0.0026072433811412167 0.000747661284310759 0.0010065492587170324 0.000747661284310759 -0.006360748651363669" free_energy=-635.54966024 pbc="T T T" config_type=melt 
Cl      11.21910006       3.91878999       4.76401007       0.06549768       0.67950193      -0.08992410
Cl      11.42389998      13.30009998       4.89103997       0.99992351       1.66358312      -0.20744036
Cl       9.56239007       3.87958998       8.62826000       1.25438244      -0.07802774       0.05995040
Cl       1.27617006      12.37330003       8.02490994      -0.61786835       0.45434896      -0.38968758
Cl       9.89133004       8.92295998       2.60172002       0.44502840      -0.10259940       0.12665863
Cl       4.66019004       6.25404997       9.60642001      -0.22372903      -1.51076608       0.12187153
Cl      13.40396406       0.53070001       1.14184005       0.23171373      -0.50522435       0.50274086
Cl      11.49010002       9.26129004       7.77109006       0.15007792      -0.08335093      -1.15944975
Cl       5.98477002      12.23120000       4.57810005       0.42676921       0.60792341       0.36092578
Cl       1.74647998       6.71746998       6.70282999      -0.67595423       0.76873898      -0.33718867
Cl       5.14436997       8.72206999      13.19988004       0.42150782       0.45526394       1.03671023
Cl      10.96629999      12.91050001       9.23189004       0.30305722       0.32242200      -0.95161423
Cl      12.88680000       7.78009998      10.22100007      -0.68210817      -0.28174840      -0.52790231
Cl       0.17923399       9.98223999       3.48080997       0.23839569       0.01294323      -0.12746584
Cl       4.54374003       3.86087999      13.56476403       1.34920900       0.10202133       0.00110080
Cl       9.14447005       3.61644002       0.89731296      -0.10850147      -0.17760739       0.09706104
Cl       3.46277993      10.27380003       7.30896006       0.87178094      -1.90649340      -2.84469981
Cl       9.64141003       6.70074000      12.62250002      -0.12570542      -0.00300826       0.45025636
Cl       1.81867004       2.78952994      10.40400001      -0.10733824      -0.09306769       0.20352951
Cl       8.36619000      12.03160002       0.92441100       0.43354838       1.69022154       0.50283687
Cl       2.32908003       9.08020997      10.97040000      -0.59593274       0.76670709      -0.14821481
Cl       0.99300894       5.46914000       3.09538998      -0.20122578      -0.15638444       0.35500701
Cl       6.53974994       1.47568002       8.22654995      -0.29827796      -0.27986174       0.11202092
Cl       8.33927007       8.10121005       6.84568995      -0.21904926      -0.22770152      -0.03036501
Cl       5.98615004      13.37670002      11.71389995      -0.31590518       0.53120514       0.32256411
Cl       2.02251002       3.09910996       5.97858002      -1.58351360       0.33974473       0.02760464
Cl       7.62146006       9.93056005      10.73679994       0.00625723       0.29035262      -0.79674914
Cl      11.74280003      12.13659994      12.33600006       0.81571052      -0.20056717       0.07837467
Cl       6.66246000       3.06297997       4.65904002      -0.14531241      -0.05907233      -0.10545277
Cl       3.22575996      13.76330003       2.03065003      -1.00778587       0.09701195       0.17933044
Cl       1.27562994       5.93188004      13.62149415       0.35822269       1.03742713      -0.60127463
Cl       5.34820995       7.11331996       3.31134996      -0.25883642       0.09124561       0.00000598
K       11.70759997       2.59367994       2.11155999      -0.35178888       0.34749684       0.50051089
K        1.20912006      11.23330001      13.70350003       0.05545659       0.10679402      -0.04212012
K        3.86338993       1.36279996       6.20836995       1.89074858      -1.01912207       0.06968838
K       12.45000000       7.05030005       3.82576995      -0.22521175       0.05536093      -0.06782983
K        0.06021844       1.04932998      12.21519995      -0.15459447       0.05716052      -0.76735447
K       10.35300003      10.99099999       5.05128000      -0.91548933      -2.20741575       0.34365928
K       13.30129996      10.45280002       9.59838007      -0.27729998       0.94002710       0.62792439
K        7.11153994       4.86519999       8.62867005      -0.46815033      -0.11961340      -0.52242266
K        4.86272006       2.73811001      11.14999999      -0.16937863      -0.79777938      -1.38510076
K       11.36760000      11.80690004       1.35659000      -0.30873074      -0.03104337       0.47793894
K        1.27528005       6.40464004       9.35899000       1.23584070      -0.71710813       0.71966666
K        3.53397000      11.50910004       9.38318003       0.44949789       1.21795002       3.31883779
K        8.96162001      13.25400000      11.19529998      -0.09218062      -0.34397934       0.28096104
K        6.89015003       1.67700001       0.70183693       0.16354326       0.12868016       0.17381126
K        5.62915004       7.99742002       7.95160001       0.36302608       1.27999076      -0.72209648
K        5.63073997      12.73290000       1.39413002       0.36374572      -0.86639420      -0.07351405
K       13.23180003       0.79410296       7.72479999      -0.51012004       0.42533411       0.04898974
K        2.42994002       7.70842995       2.16573006       0.37710318       0.20720443      -0.32613516
K        0.79205302      13.08260004       4.29870998      -0.03284361       0.13679119      -0.37421204
K        8.14563999       9.67465995      13.57639994      -0.18189686      -1.55104759      -0.48558702
K        8.75088996       6.12762007       3.32844002      -0.29481576      -0.27402567       0.38908014
K        3.68278005       6.79760004      12.05180001      -0.48482328      -0.40897813       0.54869223
K        9.72380999       7.79097003       9.98847996      -0.16267233       0.42064321      -0.52681022
K        8.87352006       0.89911706       6.23232997      -0.05156272       0.86002645      -0.07074025
K        2.27613995       3.85912998       1.01393997      -0.82769701      -1.62536928       1.48005418
K        4.62380995       9.86852003       4.54575996      -0.02327033      -0.58138085      -0.05721011
K       12.73990004       6.79173997      12.65560004      -1.44203534      -0.07409294       0.70006181
K       12.18929996       6.09317003       7.39575004      -0.52019012      -0.31577541      -0.00327339
K        3.35988996       5.35120000       4.94255006       0.72632288      -0.36769826      -0.37135492
K        6.65571997      12.17969996       7.92851004       0.15744029      -0.14924447       0.12324102
K        6.91265998       5.36000002       0.13216596       0.48697056       0.96058411      -0.01064525
K        0.63737905       9.52112003       6.70605995       0.02101815       0.06084252      -0.21783177
64
Lattice="13.76443408 0.0 0.0 0.0 13.76443408 0.0 0.0 0.0 13.76443408" Properties=species:S:1:pos:R:3:forces:R:3 energy=-638.35101895 stress="-0.004321799194986731 -0.0009808319192769986 -0.001259945603869843 -0.0009808319192769986 -0.004813040491222228 0.000523084670641076 -0.001259945603869843 0.000523084670641076 -0.004420638741104267" free_energy=-638.35101895 pbc="T T T" config_type=melt 
Cl       6.14725999      11.11520006       4.36681998       0.95650298       0.38971351      -0.79528325
Cl      10.38859995       3.37630997       2.55447002      -0.57364515       0.19736691       0.01528839
Cl       1.81870995       8.14536993      12.37299996       0.51932280       0.74417390       1.58743956
Cl       9.50227005       2.30081999      10.84410003      -0.29554360       0.56070971       0.12647780
Cl       2.32876001      13.37320000       6.25602999       0.21535554      -0.14082769      -0.23374679
Cl      12.67310000       5.05756994       8.60992000       0.29492207       0.17397208      -0.44230315
Cl       1.37247994       2.98661998       0.63252998      -0.15946722       0.04618122       0.22523951
Cl      11.89040005       5.94844003      12.47500006       0.88413968      -0.29197859      -0.51713866
Cl      10.19380003      12.61500005      12.14129994       0.97340642      -0.30375674       0.09022871
Cl       0.24850406       9.85645000       9.16389002      -0.08237091      -2.35472864       2.38875074
Cl       5.40192001       1.38832996       3.07495998      -1.60915371       0.35357507      -1.16214255
Cl       6.14988005       7.83246994       5.39780004       0.14397374      -1.03984735      -0.88017845
Cl       5.53396003       1.97022995      12.94999995       0.34239168       0.22611953       0.35316989
Cl      11.21950006       7.12875994       3.09038000       0.04528828       0.07501602      -0.21880317
Cl       8.65125996       0.48706606       4.38853998       0.69500268      -0.62025886       0.43492330
Cl       4.29287001       8.65916006       7.96734005      -0.42767345       0.17987173       0.56265740
Cl       4.27480006       3.34449995       6.70748994       0.57632462      -1.70408166      -0.29060693
Cl      11.10070005      10.82450003       6.40343001      -0.01732082      -0.02766381      -0.38616842
Cl       1.11805002       0.30727805      10.44109998      -0.07225767       0.29957054      -0.72484800
Cl       8.46956998       9.75058003       0.30519797       0.20729744       0.21098068       0.87375325
Cl       1.41548003      10.20600000       4.29222996      -0.95380768      -0.22543025      -0.69415210
Cl      13.58109994       1.27574997       4.03027007       0.87769849       1.40618356      -0.13390115
Cl       3.06569996      11.96180002      12.54520005       0.31929895       0.23980917       0.19045615
Cl      13.35300000      12.14849998       1.11541000      -0.07295205       0.27938839       0.10035529
Cl       0.34478297       5.27900995       5.06645006       1.19953063      -1.06726513       0.13463689
Cl       2.89087004       4.47054999       9.43733000       0.24403436       0.05048896       0.67348124
Cl       6.40062000      11.83950000      10.05260006      -0.47576899      -0.08581856      -0.48307272
Cl       3.31765999       6.90064996       3.00436000      -0.02273339      -0.41152718      -0.11070034
Cl       8.11565995       7.92602005       9.15997004       0.08298328       0.08569176       0.17786511
Cl      11.71639998       0.90862002       8.63526004       0.59374458      -0.36806547      -0.26443160
Cl       8.12637006       4.25410000       6.93084995       0.08673346       0.07432756      -0.09774162
Cl       6.40100004       6.94817001      13.46840006      -0.35742257      -0.31858881      -0.02664519
K        3.71765995       5.83780000       6.85503999      -0.61047719       2.06319799      -0.26066283
K       12.72440005       7.41254995       5.55242997      -0.50874580       1.47970599       0.62607967
K        1.98374001      10.39859995       0.75292198      -0.33360449      -0.45648181       0.54749891
K        9.92058001       5.44619001       9.35281995      -0.57660836       0.11188608       0.07339153
K       11.51640000       1.47634003       0.86947797       0.44792527      -0.59505635      -0.52265218
K       13.21080005       4.00047007       2.79702000      -0.16094968      -0.22683163      -0.37161159
K       13.41220001      12.24160000      11.91400000      -0.34854750      -0.28904597       0.24348056
K       10.99099999      10.85940003       9.36252002      -0.37488217       0.04936783       0.25929616
K        2.87281000       0.27439399       2.57556002      -0.84824193      -0.08950259      -0.13357922
K        6.99718998       9.91620994       6.97296995       0.24516791       0.23111975       0.79433734
K       12.32110006      12.83019996       3.83303000      -0.60419413      -1.69038968       0.27819135
K        8.59899998       6.37788996       4.41734000      -0.01719424      -0.38484822       0.29603404
K       10.01890005       7.00941996       0.25871603      -1.07825308       0.53301900       0.56144157
K        6.12787003       1.43101994       5.49700995       0.68375580      -0.25498144       2.00030940
K        6.49470996       9.56067997      12.02969998       0.11298647      -0.07318640      -0.29197491
K        5.55245007       8.66652995       2.38504993       0.34109541      -0.06604362       0.00248924
K       12.69210001       2.67301002       6.50040995      -0.08302112       0.38116170      -0.00966217
K        9.13103005      11.05789996       3.22034998      -0.30887316      -0.04030841      -0.00827724
K        2.19028003       1.75981001       7.98066995      -0.28375374       0.48742384       0.45484315
K       12.17949996       3.51195998      10.96709998       0.31503999      -0.76958008       0.04145940
K        3.53404006       4.39744998      13.05140006       0.43737997       0.13005265      -0.09672125
K        5.54514996       6.34582998       9.54590000       0.37734907       0.02677643       0.11140085
K        0.19146589      11.65129999       7.56249997      -0.22446867       2.66864418      -2.57870359
K        4.11499993       4.04328999       3.96829006      -0.26009726       0.33259911      -0.68584759
K        7.76240002       0.01147775      11.62500001      -0.30339857       0.52180599       0.18411768
K        3.07351004      10.74089995       9.96595006       0.15055371      -0.26616131      -0.23780079
K        9.08275005       1.63294997       7.95909007      -0.18853476      -0.06355919      -0.08773547
K        3.76306001       0.72403305      11.19840001       0.26558252      -0.14814829       0.02161196
K        1.22092003       6.68109003      10.32209997      -0.99810674      -0.44382436      -1.25730951
K        3.70160993      10.96450002       5.47130006      -0.04291243      -0.39260436       0.85446988
K        0.77188703       6.94176997       1.63096995      -0.23679458       0.12797201      -0.13409798
K        7.78019000       1.53087004       1.98515004       0.87698901       0.47251962      -1.14667551
64
Lattice="13.76443408 0.0 0.0 0.0 13.76443408 0.0 0.0 0.0 13.76443408" Properties=species:S:1:pos:R:3:forces:R:3 energy=-635.50725965 stress="6.230233839647351e-05 0.0015610671929235532 7.979435496703511e-05 0.0015610671929235532 -0.010766625255951309 -0.0006837720110114841 7.979435496703511e-05 -0.0006837720110114841 -0.0065319884425566075" free_energy=-635.50725965 pbc="T T T" config_type=melt 
Cl       2.58740996       8.53727999       3.84450004       0.54037307       0.60310345       0.92481694
Cl       0.39536589      11.91169996      10.26180005      -0.74755366       0.62933935      -0.56604712
Cl       7.48057998       5.05642005      11.98209995       0.03536826       0.86777723      -0.11388856
Cl       5.29195003       7.49123007      13.67430002       0.42661014       1.65458733       0.56282587
Cl       3.69774006      12.63729995       7.99284996      -0.12501515      -0.64438316      -0.05074322
Cl      11.79839995       7.65894997       8.90524006       0.19961811       0.17737389      -0.54066239
Cl       4.27156005       2.43358002      12.08599995      -0.09524183       0.45572177      -1.48417510
Cl       6.91559001      13.70391709       2.50912006      -0.17716542      -0.62246417       0.35696023
Cl       2.54536003       6.01947002      11.78859995      -1.19182151      -0.34373481       0.20232079
Cl       0.20061401       9.61745001      13.19499999       0.61685933       0.20711783       1.61550625
Cl       5.16195995      12.11020003      13.02309997       0.87240561      -0.46332108       0.71654711
Cl       3.66261006       8.56322002       9.32445999      -0.18702275      -0.14412879      -0.06772737
Cl       3.28613999       0.87454507       5.06914004      -0.30883728       1.23859977       0.33376629
Cl      11.17199996       1.33666006       2.14215007      -0.01844742       4.27686552      -1.94759750
Cl       2.87304000       5.18653002       2.48633002       0.49319427       0.18539475      -0.58650861
Cl      11.36569996      11.44030003       0.96979605      -0.29694200      -0.55842043       0.39690610
Cl       0.85678895      11.08460007       5.51162999      -1.04057046       0.57710327      -0.45563614
Cl       7.89644001       4.61832000       5.12691006       0.66726330       1.12913475       0.67016611
Cl       9.20972999       0.07804654      13.01180005      -0.14793683      -0.87121330      -1.02235843
Cl       8.07670000       0.94102398       7.94813000      -0.05667985      -0.07629007       0.25605122
Cl       3.26779007       3.65054003       7.84724000      -1.29359547       2.60589891      -0.68323298
Cl      12.50749996       2.62030999       9.05392995       0.47636587       0.49722672       0.55016465
Cl      13.12500000       3.16179003       5.48236996      -0.74799217      -0.32226223      -0.57578255
Cl      10.56169996       8.88730005       4.42641998       0.09591290       0.27655344       0.40130884
Cl       2.02624004       0.80244297       0.51621294      -1.17564526      -0.02819386      -0.05195466
Cl       9.61136007      10.04819999      11.69169998       0.02813691      -0.46881552      -0.35024677
Cl      12.67290000       7.10864005       2.13052999      -0.16285057      -0.94668111      -0.33106567
Cl      11.31600003       4.16533000      12.06040003       0.18804386       0.10274681       0.48768085
Cl       6.94867999       9.79715997       8.53859999       1.36157033       0.68979795      -2.19421101
Cl      11.23660003      12.52789995       6.45029997       0.01652526      -0.99863665      -0.37883629
Cl       6.09684995       8.79036994       4.76911007       0.08411488       0.34299526      -0.14192657
Cl       6.69828002       4.26365004       1.56563005       0.76094355      -1.06664217      -0.01855716
K       11.33489997      13.06060007       3.28259000       0.18953394      -3.43522551       2.16564952
K        8.29872004      10.76949997       0.31861995       0.07898046       0.90455995       0.16964928
K        0.56306501       4.93679997       7.17024003       0.25626144       0.32481340       0.77014246
K        8.37076997      11.73970000       6.40163003      -0.53734074      -0.00073586       0.07114701
K       10.92539994       1.18485997       7.34666002      -0.15370117       1.42634597      -0.22764053
K        8.16462004       2.93574994      10.57860007       0.08880079      -1.31823944      -0.45476295
K        2.84489999      11.84950000      11.62300004      -0.15122955      -0.22941944      -0.34182287
K        2.92706995       9.75019999       6.44943006       1.50624312      -0.64998212       1.29737969
K       10.44980006       4.81776996       3.58228000       0.27166182       0.14566715       0.14468557
K        0.09138070       9.76930998       3.04277006      -0.90397050      -0.06898038      -0.56347951
K        4.43714000       4.95730994      13.66015005      -0.07102800      -0.98846135       0.04106300
K       12.24530001       9.93371004       7.14079997       0.16816797      -0.13012492      -0.38753729
K        1.05647001       3.05078000      11.24170003       0.38259526       0.16644603      -0.17668875
K       10.70659994       7.60166997      13.49940004       0.34320845       0.35817013       0.02079299
K       13.23579998       4.01376004       0.69011899       0.17486703       0.17610520       0.27288921
K        4.26119997       1.53943000       8.59110002       1.40791561      -2.12206965       0.86381597
K        4.83212998       5.53195001      10.27599999      -0.07876202       0.13997053      -0.38171145
K        1.90939005       3.35705999       4.07969003      -0.17008231      -1.22697146       0.76526457
K       13.10409995      13.10610006      13.28679996       0.13181448      -0.15097356      -0.19904659
K        8.51852994       8.19754003       6.33224999      -0.32953882      -0.37640577       0.19887368
K        2.44791004       7.69510006       1.40514996      -0.66214859      -0.27284111      -2.31123945
K       13.49989996       9.14919001      10.68960004       0.24815331      -0.32211615      -0.79070340
K        5.80878994       6.02377994       3.43272006      -0.41899344       0.55396672       0.45168030
K        0.90736003      13.32719995       7.25222994       0.10451424       0.41579198       0.26665037
K        4.04800004      12.40170005       4.03491997       0.29867562      -0.70429887      -0.24399286
K       10.36799996       5.52227003       9.65284002      -0.30187041      -0.61402657       0.22503258
K        5.10905002       9.74844007       2.21057995       0.03370608      -0.14765420      -0.48019033
K        9.47106002      12.76939997      10.23080007      -0.16342966      -0.34013022       0.27929227
K        6.21928005       9.15191000      10.86820004      -0.69528044      -0.31037285       1.81511418
K        9.40316998       2.56279998       0.04236679      -0.34509683       1.04320876       0.68053297
K        7.01345996       2.29607994       4.18887998      -0.55996080      -0.82443638      -0.35358498
K        4.79558995       1.11167007       0.63020406       0.76734560      -0.38373067       0.49888222
64
Lattice="13.76443408 0.0 0.0 0.0 13.76443408 0.0 0.0 0.0 13.76443408" Properties=species:S:1:pos:R:3:forces:R:3 energy=-638.41526579 stress="-0.004721159828323467 0.0008217977861532907 0.0004218026909308899 0.0008217977861532907 -0.0035160480541696843 -0.0005310951482834171 0.0004218026909308899 -0.0005310951482834171 -0.004732071571618829" free_energy=-638.41526579 pbc="T T T" config_type=melt 
Cl       9.63390002       5.96991998       5.13212995      -0.40800757       0.87725902       0.25642465
Cl       5.50992994       9.20535001       5.26428999      -1.37984482      -0.27194438       0.55355180
Cl       4.42317006       0.24448099       7.22603003      -0.00240781       0.01909405       0.44068860
Cl      11.12649997       9.08410998       2.84282005      -0.02185053      -0.26219347       0.20256300
Cl      11.93049997       6.31690003       8.83526002      -0.49242463       0.06629198       0.54293700
Cl       9.67794001      10.33129998       6.45553004      -0.96965469       0.33977226       0.90140338
Cl       7.56025994      11.65109999       2.16928995      -0.00241494      -0.52517353      -0.47518418
Cl       1.97096001       6.35576006       9.58276996      -0.61663855      -0.61610670       2.12582022
Cl       4.91690003       7.21282994      13.47599995      -0.28650696       0.04431918      -0.78247348
Cl      11.29580003       2.05805006       8.01657007       0.51481854      -0.91721711      -0.13476382
Cl       8.54738996       5.32324994      11.11700003      -0.19067800      -0.48799169      -0.46555324
Cl       6.37235006       7.65576007       9.48516994      -0.12579311      -0.18797398      -0.28610813
Cl       2.99875003       4.35813999       6.95551004       0.17881451      -0.43654810      -0.29087747
Cl       0.01429712       8.91693006      12.47050006       0.68223903      -0.60387694       2.32995150
Cl       0.14965395       7.52764003       4.98023997      -0.27369795      -0.62867048       1.20964255
Cl       2.48387004       6.30585999       2.04888997      -0.83721298      -0.37274036      -0.07714354
Cl       4.91811998      10.94590000      10.78049995      -0.29305186       0.55327709      -0.13270260
Cl      13.20020006      12.94679999      12.46199997       0.18342366       0.15673786      -0.18273867
Cl      12.91580001       3.44214994       4.90624994      -0.95568295      -1.29195802      -2.14494397
Cl       7.67707003       6.14062003       1.17367003       0.66742638       0.49207545       0.30108607
Cl       9.55474998       0.63207204       1.30090006       0.07205766       0.14339222       0.20625649
Cl      13.28730002      12.35780004       2.38955999      -0.18808856      -0.30591361       0.60440480
Cl       6.50903997       3.20228003       3.74318995       0.11297006      -0.02960728       0.35942263
Cl       2.55473003       2.06475995      10.98090006      -0.91847579       0.61643031       1.37787687
Cl       0.85447404      10.40470007       8.32685001       0.16814640       0.12529054      -0.21407460
Cl       1.20994000       2.40487994       1.37892995       0.02560853       0.13166848       0.17932715
Cl       9.34273007      10.61920005      10.83820005       0.01102668      -0.26160077      -0.14654559
Cl       8.16975996       0.79311302       9.94979997      -0.41405287       0.37789455       0.09882144
Cl       3.17332999      11.11970007       2.12914006       0.31212050      -0.65376782       0.13886409
Cl      11.48730006       4.18611994       0.04615655       0.07564136       0.80858393      -0.23358657
Cl       5.84864004       2.17676005      12.28960002       0.33335442       0.85918339       0.92313622
Cl       0.36172396       0.44231100       6.38206995       0.67965592      -0.51372210       0.78040470
K        2.82811000      11.59999995       6.38069006       0.05130307       0.14933264      -0.41643787
K        8.48996997       7.60375005      12.58569997      -0.09915373       0.89658341       0.17368687
K        1.34342996       2.36275004       8.69280997      -0.69817363       0.43769187      -1.81886499
K       13.20719996       5.13078007       6.64362998       0.73516598       2.03006984       1.89330666
K        3.35847993       3.48191002      13.48060002       0.33482109      -0.04613540       0.21546646
K       10.00720000       3.57635000       6.18730004       0.06621373      -0.56124784      -0.59312394
K        7.09075001      10.20640000       8.44938003      -0.32162284       0.46343891       0.22258806
K       12.69110003       0.75901701       4.07545004      -0.22721014      -0.00780668      -0.27005821
K        5.61752996       9.11501994       1.81879006      -0.26826342       0.76256442       0.06866013
K        5.53402995       5.42279006      11.05079999      -0.13934561      -0.16945303       0.20072673
K        8.56306999       3.54582999       0.55848999      -0.12181172      -0.44603775      -0.21699552
K        9.83586996      12.97059994       8.44769004       0.59442489      -0.32637311       0.04039829
K       12.75819999       9.05117995      10.21460002      -1.02993027       0.17809047      -2.04866811
K        2.82606997       9.13333999      12.16129994       0.50222343       0.01575663      -0.14879670
K        0.95293600       8.74566994       2.80588994       0.34903653       0.97132914      -1.40584370
K       10.56840007       3.78671006       9.93348004       0.04118107       0.14909483       1.01301851
K        4.63429996       0.60460401      10.46169997       1.80840795      -1.36813666      -0.83714101
K        0.55064894       5.35063002      12.24960002      -0.30832951       0.43220989      -0.00246458
K        9.09455003       7.31890995       8.53426007       0.34343851       0.04279729      -0.18771826
K        2.84491995       7.18979997       7.33022996       0.53100571       1.01247135      -1.34547721
K        5.17112005       6.03381999       2.33731006       0.45051639      -0.69786853       0.77750973
K        6.58012006       3.56868996       7.15631001      -0.78087065      -0.20128391      -0.31172854
K        1.71025007      13.24459999       0.96150601       0.15907079       0.09517669      -0.58175267
K        1.87979004       3.90445007       4.13387001       0.35246730       0.01789729      -0.28245291
K       12.25559994       1.54987996       0.32589996       0.28124675      -0.75526650      -0.05807978
K        7.87760998       9.66508995       4.28383999       1.66363340      -0.17523228      -0.49416943
K       10.94700005      11.38500004       1.19246000      -0.16279374       0.15730962      -0.50510025
K       12.20550002      10.14099994       5.57517996       1.05686126      -0.26025320      -0.39577859
K        2.02116000      12.93489995       9.67451996      -0.48859154      -0.56717536       0.04869590
K        7.31111006       0.27777798       3.66590004      -0.16595180       0.32658097      -0.16276476
K        8.21213996      12.82730007      12.80839998      -0.25629057       0.13004253      -0.35020067
K       11.52389997       6.04371001       2.93199996       0.10650227       0.06956850      -0.18632696
64
Lattice="13.76443408 0.0 0.0 0.0 13.76443408 0.0 0.0 0.0 13.76443408" Properties=species:S:1:pos:R:3:forces:R:3 energy=-636.63244464 stress="-0.005222696237960235 0.0002755420995842308 0.00029854302190551605 0.0002755420995842308 -0.0038417907240005586 -0.002304547926904814 0.00029854302190551605 -0.002304547926904814 -0.007322253550387097" free_energy=-636.63244464 pbc="T T T" config_type=melt 
Cl       8.78483003       8.36821998       3.40681003      -1.23593031      -2.12018831       1.07516130
Cl       8.36798006       5.54645001       6.75404001       0.76762968       1.77875061       0.71034166
Cl      11.38750007      11.32780000       8.03794995       0.25369230       0.85659858      -0.41680733
Cl       7.11271006       2.40596004       8.53500995       1.94113595      -0.45335413      -0.53882873
Cl       6.06875000      12.09060003      10.95689998      -0.21015498       0.00626678       0.41176610
Cl       2.69144995       6.87688002       0.11068298       0.14393275      -0.37486691       0.51305361
Cl       3.72882002       9.96219003       1.93317994      -0.03619953       0.31507675       0.36428523
Cl       0.33956102       4.03729007       9.86414005      -0.13204853       0.29198587       0.35818330
Cl       3.78955999       8.71560002       8.74160998      -0.57317382       0.20347464       0.09209789
Cl      10.43750003      13.09220004      11.10809995       1.68325143       0.89423343      -2.20295707
Cl      10.51759995       3.39131004      13.16599998       0.29154156      -0.03431042      -0.15870121
Cl       7.37199002       6.35178998      12.49529999      -0.77446382      -0.11525880       0.14012664
Cl      12.58330001       2.60748002       7.01637003      -0.39411649       0.74911016       0.46511110
Cl       0.46067703       9.44539995      10.93080000       0.24509902       0.33268726       0.25177525
Cl       5.82675996       4.86006999       3.11214997       0.27004243      -1.07401896       0.10090672
Cl      10.34220004       1.93615003       4.45360006      -0.10616802       0.41929266      -0.64038649
Cl       7.96496996      11.07809995       6.40559997      -0.60550429      -0.38048515       0.00477306
Cl       2.31273999      13.36550004       6.56352001      -0.64530740      -0.11912809      -0.22774148
Cl      11.35609995       7.29607999       9.58720005      -0.18428060      -0.36714394      -0.24201809
Cl      13.06759997      10.82410003       4.37081001      -0.43177472       1.07739751      -0.03174062
Cl       5.40843004       1.41551004       0.30891299       1.43680355       0.70114882       0.57136069
Cl       5.90884003       0.93644304       4.21554995      -0.11787284      -0.28280514       0.50627169
Cl       3.83948001       3.09142995       7.36743000      -0.37461158       0.65748355      -0.09016284
Cl      10.55670003      11.05820002      13.57279999       0.22218604      -0.95290034       0.09571867
Cl      12.08630002       7.07270002       4.90576007       0.40291735       0.20866664      -0.02090537
Cl       0.32997299       2.43800997       3.04502000       0.22728978      -0.40171286       0.10540917
Cl       3.18506004       3.60080004      12.35130006      -0.39397713      -0.31301814      -0.36549061
Cl       0.59682806      12.85380004       0.87919497       0.82148596       0.19252381       0.86287029
Cl       2.36164998      13.58820005      10.29570007      -0.10912701      -0.33733745       0.10852342
Cl      11.71389995       7.30205995       0.64483896       1.27114477      -1.44496763      -0.69315245
Cl       8.95936002      13.23699996       1.42794001      -0.10327261       0.75743712       2.42568598
Cl       3.13862999       7.37769001       5.26364994       1.00053464      -0.80213435       0.36754882
K        8.00359998      10.70599995       2.75860002      -0.79007277       1.82868615      -0.37564620
K        9.55865000       4.29442002       1.99071996       0.64994841       0.97289056       0.30817588
K        0.07382568       4.71968006      13.05500001      -0.15138742      -0.21749846       0.27211960
K       10.08580002       6.52883006      12.28860003       0.26808753      -0.05382537      -0.49038011
K       11.53010002       0.72534204       1.90515996       0.43557794       0.02119613      -0.04638839
K       13.09930001       0.41282002       5.54218001       0.10479926      -0.67717678      -0.88360388
K        8.89457001      13.60029995       5.64815996      -0.15402592       0.30341743      -0.22759222
K        2.84743994       3.38681003       4.52733998       0.25165045      -0.06622910      -0.20559157
K        3.41272006      10.81670000      10.80639994       0.02369249      -0.16637706       0.12693062
K        5.44594996       7.47004000       2.60875998      -0.22337246       1.14882302       0.07624372
K        0.47460195      11.07960000       8.28872996       0.41937066      -0.08538495      -0.05975812
K        2.35954994      13.40049997       3.01004994       0.21799500       0.04854240       0.32022099
K        7.19535998      13.06710005       8.65156994       0.37154413       0.08412906      -0.22294497
K        0.90718398       8.68163999       4.60787004      -0.49216769      -0.30123244      -0.38273138
K        1.12141005       9.02925004       0.55394593      -0.58471343       0.83053317       0.05177799
K        5.04401995       2.30006006      10.04110002      -1.67285066      -0.13923341       1.13637480
K        5.00635000       5.14908993       0.09818116       0.46411356      -0.43244416       0.12803528
K       11.17780002      10.08730006      10.53020005      -0.18646908      -0.09588847       0.82095723
K       10.66129995       3.05887005       9.90989000      -0.04519319      -0.07302407       0.08582577
K       11.08219997       5.12865002       6.68957002       0.44225575      -0.23338458       0.03465727
K        5.95988998       7.14769003       8.09120000       0.62889202      -0.24567274      -0.22608076
K        6.58129995       3.89751004       6.14398006      -1.60974081      -1.63512742      -0.98933669
K        7.47624996       2.33335003       2.24155006      -0.65795237      -0.95873204      -0.02882963
K        4.33431995      11.46569995       5.87667998       0.46680975      -0.24280934      -0.07004778
K        0.21507300       1.09840996       8.88145993       0.52284188       0.13066264       0.34379166
K       10.64220001       8.82400003       7.00084994      -0.37298157      -0.33836023      -0.62791291
K        3.31624005       0.34896405      13.04280004      -1.20152488      -0.40912658      -0.49574503
K        1.71993004       5.51029002       7.41354002      -0.04805930      -0.11507682       0.08351960
K       12.84549995      12.49700003      12.59829994      -0.54958998      -0.32274412      -1.33745601
K        8.51268005      13.05910002      12.69560003      -2.29454124      -0.18187199      -0.30762167
K        2.32636995       6.17495004      11.27110003      -0.02435542       0.21369091      -1.12939292
K       10.84599994       9.20498002       2.11970000       1.24071585       1.54014506       0.41635154
64
Lattice="13.76443408 0.0 0.0 0.0 13.76443408 0.0 0.0 0.0 13.76443408" Properties=species:S:1:pos:R:3:forces:R:3 energy=-633.64370054 stress="-0.010394105352557645 0.0005955068234135102 0.0025105597146908515 0.0005955068234135102 -0.0056523291455084 -0.0020935397049578522 0.0025105597146908515 -0.0020935397049578522 -0.011100543304095628" free_energy=-633.64370054 pbc="T T T" config_type=melt 
Cl       8.95469994      11.10970007       0.06510385       0.13907173      -0.98985290      -1.33385624
Cl       6.12739998      13.64330004       0.85624195      -0.77316967      -0.67155852       1.13014842
Cl       2.37333007       9.31567002       1.92612994       0.01363973       0.74845645       0.34591535
Cl       7.19167001       7.68427006       9.16808996       0.33469210      -0.37965256      -0.05095842
Cl      13.27650003      11.84300002       3.98842000      -0.66852116       1.29770931       0.11838273
Cl      12.46299996       4.53730007       9.41189002      -0.27173013       0.39747689       0.29016340
Cl      11.47380004       1.26267004       2.70918006       1.51973477       0.12096043      -4.17873308
Cl       3.43781001       6.43782004      10.27839996      -0.27969410      -0.00481773       0.04354627
Cl       4.05267003      13.22380001       6.03832000      -0.38478499      -0.69758329       2.00177677
Cl      11.43560002       8.25511996       6.86706997      -0.37748248      -0.04708747       0.38533265
Cl       0.54774203       3.35389005       6.58445998      -0.56096426      -0.18324063      -0.19466148
Cl       5.28683998       7.51827002       1.11278994       0.06497595      -0.16825721      -0.39345569
Cl      10.65080003       6.32791007       3.60567004       0.00436954       0.37770530      -0.00362200
Cl       3.61576997       3.68344996       7.60086998      -2.83313692       0.64785782       2.39252275
Cl      10.25690005       5.85056004      13.19300002      -1.74509894       0.40634108      -0.89806115
Cl       9.66918996       0.38513107      11.95000005       0.22384195       0.86149993      -0.06993301
Cl      12.01900005      10.12690007      10.37100005       0.38866472      -1.13854994      -1.05698937
Cl       9.24416998      12.23250005       5.09902001      -0.31922850       0.63104069       0.91769457
Cl       5.22272002      10.87969995      10.82559995      -0.03135659       0.10953885      -0.00408565
Cl       6.64327995       2.23432002       4.41583995       1.89151413      -1.01230854      -2.08030074
Cl       7.38354994       9.32000995       3.15465000       0.04166791       0.24054506       0.32752374
Cl       2.53826997       0.27211405       2.83791000      -0.71127608       0.44918051       0.06727724
Cl       6.66694005       3.39348000      13.19389994      -0.30554553      -0.80903449       0.04991464
Cl       1.19656001      12.63259994      11.88850001      -0.04146293       0.01321242       0.10294789
Cl      12.92739999      13.64090407       7.61180004      -1.97641401      -0.29324140       1.88760357
Cl       1.06659003       3.42689000       0.16777193       0.81945265      -0.50385348       0.12853448
Cl       4.22448004       1.60270001      10.60330007       0.34950361      -0.12359504      -0.57572332
Cl       2.47774996       5.83700001       3.69794997       0.04562201       0.05682548       0.85712181
Cl       9.19498002      13.70230005       8.23121004       2.34657510      -1.54916526       1.17767686
Cl       8.80962005       3.44708999       7.02193004      -1.16316043      -2.33080598       0.32636125
Cl       1.66262994       9.12965002       7.11062007      -0.10086000      -0.00563274      -0.19173596
Cl      13.16650004       7.77698000      13.31260001       0.21113151       0.03790115       0.00525180
K        9.90099996       8.28473001       0.79053494       0.17833066       0.43317815       0.58853138
K        1.03413005       0.31816407       6.12429004       2.13614075       0.42726553      -2.01492320
K        7.62822005       5.61202006       0.53944097      -0.05406486       0.71378131       1.14359878
K        3.44638002       6.73903004       7.05582000      -0.07898700      -0.45889287       0.44655841
K        3.01389999      12.65509998       8.72987002       0.11961311      -0.10820764       0.75505915
K        4.91782996       0.23726595       3.79765003       1.59564063      -0.02391497      -1.52130683
K        6.93890999       4.33666004      10.63410005      -0.25032638      -0.02788680      -0.93804107
K        6.88872996      13.61330004      12.04940005      -0.16665478      -0.24934160      -1.12339838
K        0.86868403       2.66284994       3.76624001       0.06899453       0.61296057      -0.42564249
K        1.47657003       3.36397002      10.12019995       0.48061128       0.23884405      -0.46957312
K        2.83632998       1.28450002      12.95360004       0.34390702      -0.21601326       0.48459673
K        1.17004999       9.50132994      11.08439994       0.17664258       0.05649108       0.13596583
K        8.14831002      10.33149998       8.07075005      -0.14518777       0.09946141       0.33203297
K        4.91559998      10.62169995       0.98490004       0.21934695      -0.05841563      -0.35593486
K       12.46769996       4.62796997      13.59419996       0.47859826      -0.36128196       0.33206943
K        0.64156592      13.60069994       1.09854994      -1.49069320      -0.53995220      -0.56041318
K       11.89360000      10.95560007       7.56358006       0.36212735       0.73142942       0.10350427
K        5.62872995       7.49515995      11.91499998      -0.25604395       0.62079237      -0.43660313
K       11.70069999       7.17250001      10.84809998      -0.15204002       0.01361578      -0.15288783
K       10.96310003       1.91784994       9.03535002       0.28062786       0.03884467       0.19405609
K       10.33930001       9.79930007       4.80234003      -0.01888303      -0.90221040      -1.05202080
K       13.29770001       6.17987000       6.97854000       0.78166095      -0.49030161      -0.23318098
K        1.88827995       6.66006004       1.06290006       0.19217918      -0.30778122      -0.42542951
K        5.53185999       3.41991996       6.26115999       2.11934767       1.05689768      -0.36053065
K        0.22894301       9.37656002       4.08637996       0.72662167      -1.57582088       0.07033752
K       10.66929998       1.28557997       4.90289995      -1.52953757      -0.08497899       4.34878402
K        8.04175995       1.75139994       1.55855004       0.58383913       0.48718453       0.11289875
K        4.38901995       8.95314001       4.23746004      -0.05035772      -0.29286031      -0.46901887
K        9.85331996       5.67781997       7.10073996       0.81992858       2.22889923      -0.19842586
K        8.54202995      11.98659995       2.43874995      -0.50197526       0.63098908       0.71047049
K        7.01422003       0.43656298       7.37641005      -2.83774911       0.87797827      -1.43153490
K       11.19420007      11.80409994      12.17009996       0.01777179       0.94123300       0.88682181
64
Lattice="13.76443408 0.0 0.0 0.0 13.76443408 0.0 0.0 0.0 13.76443408" Properties=species:S:1:pos:R:3:forces:R:3 energy=-636.15484603 stress="-0.004809281823219075 -0.0004935154961911675 0.002997221877824071 -0.0004935154961911675 -0.006476244245043973 0.0005100119733316234 0.002997221877824071 0.0005100119733316234 -0.012477247839266436" free_energy=-636.15484603 pbc="T T T" config_type=melt 
Cl       8.80816997       0.21655102       1.44711001      -0.59861075      -1.52001624      -0.21105188
Cl       9.69631003       5.14407995       3.35022003      -0.30824824      -0.31537256       0.29822170
Cl      11.64509994       7.13689995      12.27980002       0.05389853       0.10359737      -0.18693521
Cl      12.16350005       9.16813001       2.62342997      -0.34716831      -0.00638935       0.42855189
Cl       5.67059007       4.83962003       5.40742001      -0.28562603      -0.47957129      -0.15961094
Cl       0.89584401       1.44281000      11.50360004      -0.38357216       0.06950964      -0.07170244
Cl       5.75976006      10.09629994      13.57290005      -0.62245919      -0.03308247       0.40351944
Cl       6.36914996       4.39107993       1.40479002      -1.02711897      -1.43665175       0.83255230
Cl      12.37430002       1.19216998       7.34137007       0.21890465       0.55693229      -0.68012688
Cl      13.71891881       4.85530997      10.50539998       0.44291913      -0.19868602      -0.79251909
Cl      13.31949999      11.52660000      11.19039998       0.34055819      -0.13817242       0.37809962
Cl       2.66027998       0.32191199       7.22230001      -0.35302492       0.45379221       0.35374254
Cl       9.44851002      13.19229996      11.20460006       0.11691685       0.07652354      -0.11982770
Cl       7.95499996       8.13640997      11.90980005      -0.70876447      -0.24537332      -0.12993106
Cl       1.05548998       5.51720004       6.46602006      -0.30188051      -0.67488697       0.13913793
Cl       0.35298602      11.06190004       6.76381001       0.64541607      -0.30104678      -0.31505763
Cl       8.53724007       1.17468998       5.92609003      -1.12496649      -1.17625296       0.18664877
Cl      10.33280003       3.13799999      11.98539997      -0.80016341       0.55724191       0.28887508
Cl       2.64586999       9.03845996       4.41139995       0.43283227       0.40660942      -0.13947738
Cl      10.54149996       9.96932001       8.23356004      -1.35781687       0.74669587       2.46581496
Cl       4.76870993       2.33018999      10.20560001      -1.26322231      -0.38410260      -1.04009346
Cl       2.82732997       0.83851804       2.87835005      -0.42071114       0.21470051      -0.52305887
Cl       5.47944007      12.61629996       4.74188994      -0.34105039       1.20474586       0.48683631
Cl       5.90188005       5.37092003      11.00339996       0.32032536      -0.22934885      -0.34901355
Cl      12.64979998       2.89645000       1.99248002      -0.01856227       0.07214430       0.30183448
Cl       9.97927004       6.12833004       7.43544998       0.91141892      -0.80324718       0.07843371
Cl       5.93500994       8.73638996       7.92584001       0.88979330      -2.27682002       2.71627319
Cl       5.74878004      12.78030003       9.15630994      -0.37786635      -1.36237424       0.80021184
Cl       3.04706003       5.20636994       0.20535104      -0.43694417       0.58205017      -0.29427164
Cl       7.79674999       9.91412999       4.53334004       0.07045280      -0.07143667      -0.31022430
Cl      12.75300006      12.91609994       3.43567005      -0.04677996      -0.37153649      -0.46081080
Cl       2.01896003       7.82599996       9.61800003       1.11582112       0.15054798      -0.22069450
K        9.80984995      10.08400004      12.16060002       0.99629296       0.40151261      -0.05152331
K        2.42209003      12.44569999       4.92685998      -0.48796252      -1.29418757      -0.43860387
K        0.11106591       1.19201004       4.73031996       0.10635854       0.80107985       0.20763258
K       11.36480004       1.82491001       9.82703003       0.04122065      -0.10808899       0.59115294
K       12.86660000       4.14918005      13.04670005       0.03204181       0.30817760       0.42601989
K       10.26919995       3.09724997       6.07451000       0.88306337       1.40852611      -0.22733522
K        4.00001006       1.60519000       5.22259999       1.00956930       0.83372537      -0.09998565
K        0.18958898       0.57955700       1.03757006       0.60613477      -0.42172980      -0.29824109
K        2.83657003       5.02175006       9.76778006       0.59832161      -0.19475785       0.19067172
K        2.53670000       7.89576995       7.06594003       0.38756961       0.21681002      -1.34644349
K        6.17917999      12.10149994       2.16366993       0.31902837      -0.36541620      -0.76860878
K        8.52881995      12.66279994       8.50552007       0.48673833      -0.45011249      -0.43041649
K        5.24482006      10.24300004       6.19871998      -0.81842058       1.66631203      -2.31223041
K        8.22881007       6.74123001       5.55030997      -1.15309273       0.43424324      -1.19009664
K        2.47471999      13.23870001       9.93614001       0.02902569      -0.19782889       0.62730885
K       10.73129995       0.80420495      13.54700007       0.93838106       0.08759376      -0.63948216
K        5.82414004       1.09763007       7.75361005       0.12948545       1.73856465      -1.06757321
K       12.26310004       6.35017996       3.64702996       0.34425431       0.12357638      -0.26978203
K        7.95006005       5.83970004       0.05546599       1.69231361       1.10626347      -0.93851623
K       12.13550002       6.81666007       9.08040005       0.36716406       0.41401157       0.46619852
K        0.80711200       7.88135997      11.79870001      -1.76495276       0.20273943       2.23792698
K        7.67814998       1.91744004       2.98652996      -0.60504949       1.75420997       1.20832135
K        3.75123003       4.05654995       2.68058004       0.02901169       0.00960019       0.19972272
K        4.40451994       7.18346999      12.30729998       0.08460987       0.63894234       0.30787560
K        5.48276005      10.41710003      10.51349994       0.29346768      -0.86868563       0.41475465
K        6.61785002       2.74614004      12.03900005       0.75473077       0.06729395       0.86851053
K       10.06919997      11.94370007       3.15136003       0.07923841      -0.70723085       0.26973893
K        8.08118005       6.69299007       9.42682994      -0.50687510       0.25135260       0.25371287
K        1.14390995       2.67920002       8.58303998      -0.27848487       0.01770320       0.03240126
K       11.69389995       9.48461000       6.12424999       1.25524189      -0.48039093      -2.74001794
K       12.65990005      12.43800003       8.60606004      -0.46152128      -0.49385196       0.45868101
K        4.51787005       8.25073998       2.38860997       0.17839524      -0.07068006      -0.09612031
64
Lattice="13.76443408 0.0 0.0 0.0 13.76443408 0.0 0.0 0.0 13.76443408" Properties=species:S:1:pos:R:3:forces:R:3 energy=-636.65845096 stress="-0.006928869811155342 0.0017749284274164838 -0.0004536311418881491 0.0017749284274164838 -0.005661510068391082 -0.0002969558311008404 -0.0004536311418881491 -0.0002969558311008404 -0.007373299994916515" free_energy=-636.65845096 pbc="T T T" config_type=melt 
Cl      11.87439999       6.67828002      13.23180003      -0.01669457      -0.33592720       0.50733628
Cl       1.57488002      11.72289996       9.53210005       0.35452237      -0.57166025       0.50266214
Cl       6.09019003      12.23660007       9.53259998       0.01516779      -0.19189317       0.07153497
Cl       0.00831303       1.88363995       5.77565000      -1.18671067       0.52319682       0.10411329
Cl       6.89708001       6.88923002      10.53679996      -0.82793301       0.12780386       0.45208039
Cl       1.31282006      11.10330002       4.13611994      -0.46776044       0.19082793       0.42450437
Cl       6.82439995      11.08419994       0.34086589      -0.96904344      -0.11374115       0.37688217
Cl       2.63204995       2.04685999       2.73316995      -0.03184611       0.65093782      -0.61201262
Cl       8.65687998       3.40446003      11.61429995      -0.02932424       0.39863147      -0.42628987
Cl      12.22199999       2.16655000      13.34220002       0.39105519      -0.04933484      -0.05059868
Cl      12.17740006       5.94335999       9.20696003      -0.19823360       0.11373245      -0.88150345
Cl       8.37147994      11.40010003       4.92357000      -0.10712043      -0.02106448       0.51258714
Cl       3.25174005      13.18879994       0.71016001      -0.17547801      -0.27830301      -0.38290249
Cl       2.84383999       5.58961005       2.15645999      -0.67088549       0.67049826       1.34017179
Cl       7.41772001       7.34337004       2.13659997      -0.31291626       0.30303887       0.33804124
Cl       3.01789993       6.63232002       6.29192006      -0.63748405      -0.90952483      -0.29763413
Cl       6.81459995       1.74342001       8.19811001       0.59355461       1.19114316       1.07633951
Cl      11.50449996       1.75351994       2.66559993      -0.45098837      -0.17035572       0.91260498
Cl       2.57261003       9.38983004       0.10136597      -3.39453016      -0.04790727      -1.35229668
Cl      10.16569994       9.83179005      10.36480000       0.32218547       0.00822640      -0.53236539
Cl       5.21866006       9.72107004       6.78877002       1.81874149      -0.45610376      -0.35407219
Cl       7.40979004       3.41065003       4.37936998      -0.17371489       0.01323766       0.12594649
Cl      11.67109999      11.87750002       6.59138996      -0.52155990       1.07587929      -0.19295298
Cl       5.25476995       2.86906002      13.18480000       0.04138836       0.14259322      -0.15771061
Cl       3.51252006       1.34302006       6.52908993      -1.11650980       0.22714237      -0.10378885
Cl       2.36811004       2.56576993      10.29540000      -0.56351376       0.74281500       0.23655154
Cl       3.39696997       8.64108997       3.60639006       1.26654253       0.25874334      -0.31236016
Cl       9.69135001      12.70119996       0.99048895       0.09233683      -0.26184831      -0.10809306
Cl      11.99790000       7.35180007       4.44517003      -0.30418291      -0.59215595      -0.04958059
Cl       8.08093999       7.57822005       6.48932999      -0.29186464       0.02812062       0.08877545
Cl      11.74140005       1.98435996       9.02269996      -0.16406702      -0.43669776      -0.47739909
Cl       1.97400002       7.58470998      10.29859996       0.56158324       0.01377214      -0.01652280
K       12.16579995       3.91124006      11.16620004      -0.38139689       0.13025906       0.16340324
K        6.06822007      10.52759995       3.66880006      -0.68575561      -0.37163498      -0.15910884
K        9.74081003       2.18169006       6.17146007       0.18229538       0.16631183      -0.06123025
K        5.12290007       4.29453000      10.24810004       0.17497552      -0.49859396       0.52875104
K        9.04444006      10.10059995      13.02249998       0.86076322      -0.14054681      -0.08151635
K       12.82360005       9.87308996       7.72836002       0.38887258      -1.26445667       0.63673966
K        3.81869998       0.52523897       9.25126004       0.69055558      -0.70097256       0.15190272
K        9.26008001       1.64432999      13.70000001       0.69650088      -0.10957432       0.63641465
K        0.89761605       7.71287999       4.52982997       0.90509702       0.52472198      -0.23286965
K        4.80572002       9.17456998       0.92898299       2.70886823      -0.79980282       1.53167030
K        4.85186997       7.21947995       8.11516003       0.51304944       0.40832728       1.05247955
K        1.40565002       1.63225996      13.16939993       0.34409441      -0.04130390       0.25215669
K        8.20116999       5.93904994      13.59550001       0.21042068      -0.47625095      -0.83769547
K       11.99209995       4.55114007       2.42734006      -0.00040625       0.07749933      -0.25259569
K        0.78141601      11.51660000       1.09994002       0.21616989      -0.00672000       0.31238220
K        9.42362007       8.26755007       4.14113997      -0.15936832       0.51699367      -0.40092518
K        2.13352004       4.17912995       4.71833004       0.01737087      -0.38557509       0.05985311
K        6.10750005       0.02126591       0.11673906      -0.39135380       0.28603682      -0.01191698
K        8.78718003       6.13102002       8.71269999       1.23107665      -0.66633326       0.41491475
K        3.53263994      10.08710007      11.24840000       0.12654529       0.16406007      -0.30040827
K        1.44582001       0.32996597       4.29847998       0.32387342      -1.72517609      -0.27862355
K        4.64973994       3.77464994       2.18281007       1.96909203      -0.93861631      -0.22280742
K        2.97824997      10.82530002       7.14875003      -1.42515079       0.59888350      -0.45574966
K        6.00091997       0.45576588       6.12572003       0.45450201      -0.92415588      -1.50211719
K        5.96587999       6.34590004       4.94757999      -0.31719902       0.01027458      -0.63988300
K        8.21576001      10.27240004       7.87055998      -0.21908817       0.10776317       0.07354299
K        1.73094999       6.32266004      13.74760004      -0.83902349       0.81086966      -1.63298345
K        8.65076004       0.15441094       9.74820002       0.24224897       0.16989099       0.24876410
K        0.51326597       3.48885005       7.80364996       0.02154289       0.84393650       1.35404729
K       12.93799998       8.02797005      10.92410002      -0.22305006       0.39915680       0.20250217
K        0.11795996      13.47470004       8.10951000      -0.98130466       1.13992442      -0.58933176
K       10.64639995      12.70440005       3.95809007       0.50046599       0.45098096      -0.72180980
64
Lattice="13.76443408 0.0 0.0 0.0 13.76443408 0.0 0.0 0.0 13.76443408" Properties=species:S:1:pos:R:3:forces:R:3 energy=-634.64940937 stress="-0.0056301713075153125 -0.003239639383458416 -0.004095667072412695 -0.003239639383458416 -0.007475606530832734 -4.418370551721884e-06 -0.004095667072412695 -4.418370551721884e-06 -0.007612308294643667" free_energy=-634.64940937 pbc="T T T" config_type=melt 
Cl      11.91360000       1.70704006      10.77730000       0.23701959       0.01415206       0.05977802
Cl       4.08448005       2.89500997       4.03439995       0.30170282      -0.20372543      -0.04069063
Cl       5.13355993       1.79887004       9.09478003       0.06022959       0.97680054      -0.21328071
Cl       6.19062002      13.06489994       6.69768003       1.12040241      -1.19849443      -0.43827745
Cl       0.30958194       1.42078003       6.19014997       0.22817008       0.20119882      -0.23641859
Cl       8.53712995       5.94110001      10.41109998       0.08243177      -1.07359357      -0.29840639
Cl       7.69742996       8.96091004       7.90883997       0.39179843       0.14329632      -0.17267496
Cl      10.12090001       8.51307000       1.67379001       0.04018757       0.04155934       0.09195156
Cl      13.32370007       4.12960001       1.00470004      -1.28904835      -0.21257347      -0.52887880
Cl       3.41409004       3.50480000      12.74070003       1.80209070       0.60476234       0.96418490
Cl       1.54996007      13.70873616       9.23794997       0.35763697       0.06838533       0.39173163
Cl      12.10370005       7.30630999      11.87579998      -0.06473806       1.03025355       0.10518360
Cl       8.65967003       3.28110000       1.47651002      -0.02155432      -0.36508595      -0.10084705
Cl       5.98612003       8.08607000       0.34697096       0.40278574      -0.64920756       0.53836264
Cl      10.02760000       1.82586994       5.88945998      -0.29292834       0.42910959       0.12419798
Cl      11.34010004      11.94390006      12.81460004       0.16824835      -0.21875201      -0.46491523
Cl       0.56946602       9.96730999       1.72557002      -0.46541918       0.35226628       0.84888483
Cl       2.11630996       6.63702994       1.70482000       1.03852944       1.67839294      -0.00952700
Cl       3.19915000       7.85224998      10.14329998      -0.52194816      -0.23904727       1.31943309
Cl       3.91101006       5.31052995       6.71007999       0.06790506      -0.22785857       0.45572750
Cl       6.91018004      10.66590003      11.40689994       0.23003789       0.65629488      -1.24885182
Cl       8.30947007       0.68707196      11.83690003      -0.06126911      -0.58798242      -0.11483644
Cl       6.87791001      10.98889995       2.64307003       1.70004889       0.66344567       0.12354817
Cl       3.11495998      13.01249998      13.13770003       0.61192467       0.29474822       0.05129044
Cl       0.07626598       5.41436994       5.71543996      -0.31812964       0.51695407      -0.94315085
Cl       2.85505993      13.14619998       3.22016995      -0.69404841      -0.63823003      -1.01072161
Cl       1.87704005       9.98399000       7.23681006      -1.81746468       0.98346707      -0.42188225
Cl      12.78830006       0.07219074       1.86065996      -1.08798182       0.47689031      -1.01924784
Cl      10.79650000      12.16459996       6.45814006       1.25416108       0.37492803       0.57804627
Cl       9.79749004       6.41163003       4.46162995       0.13864898       0.02326948       0.45324567
Cl       0.20916806       4.73701003       9.93474994       0.85224479       0.75346605       1.34609479
Cl       4.56514001       8.78681995       5.05074993       0.72692111       0.02198492      -1.02216351
K       12.53330001       7.73470997       3.46535003       0.09037784      -0.06311089      -0.11502795
K        4.46428002       9.99191006       2.55582004      -1.50777173      -0.23435956      -0.69737325
K        3.54478995       4.43308004      10.17220006      -0.15754679       1.04364405      -0.96043059
K        0.26403502      13.41639995       4.08774002       0.25775433      -0.88464511       0.93209204
K        8.61070994       8.37648001      11.50700000       0.22180499      -0.12634861       0.24689547
K        0.79587802      12.03390005      11.86149997      -0.37313238       0.11629558      -0.07511420
K        3.81604000       8.35454005       7.56242000       1.74687039      -1.15667420       0.74856922
K        1.21685003       2.18776003      12.67520004      -1.66994490      -0.98781546      -0.13063806
K       12.59139996       0.01806596       8.33999999      -0.23492167       0.07361157      -0.20979583
K        6.23675001       4.65577000       0.85859099      -0.61357706       0.44271867      -0.22538813
K       13.28450006       3.59544995       7.73693995      -1.04195658      -0.60341831      -0.58566502
K        0.73693197       7.97743998      13.59800005      -0.36488945      -0.20065611      -1.03128812
K        4.58076994       9.63565003      12.24410003      -1.05780069      -0.17344537      -0.11716483
K        8.56609996      11.58810004      13.27962607      -0.03358273       0.41823003       1.38681710
K        2.97316002       2.22986998       7.45836996      -0.85918323       0.22461197      -0.69487395
K        8.05118996       5.66551003       6.69940003      -0.11479760       0.27392002       0.76012714
K       10.84239999       1.16639993      13.48470004      -0.04301485      -0.05003596       0.06837343
K       11.91699995       2.73490000       3.90903995       0.06379131      -0.20263820       0.08471213
K        4.68212999       0.81007094       2.03518995       0.62228395       0.37853399      -0.75810741
K        1.50720003       4.51581998       2.83264001       0.44281266      -2.08104572       1.81789422
K        5.65771000       1.79131997      11.78440000      -0.03210812      -0.13081431       0.70912923
K        6.25682007       1.84521007       6.21341998       0.51679510       1.63805039      -0.50386204
K        3.87215003      12.67210002       5.52460998      -0.69719280      -1.10326970       1.17724494
K        8.93014006      10.66630002       5.52703996      -1.85660510      -0.90233679      -0.14860581
K       11.08339995      11.14469999       2.77039999       0.40510541       0.40602724      -0.58521861
K        9.63758999      11.73899995       9.96331004       0.01381958       0.19068461      -0.14210709
K       10.44020006       5.39245999       1.91047000       0.37939776       0.23169472      -0.61100116
K        6.20463001      13.10550006       9.32816000       0.27385755      -1.10015721       1.27522967
K        1.84781994       7.65139000       5.02160994       0.50960269       0.05785785      -0.04099576
K       11.56209999       4.63598005      11.80109998      -0.24722627      -0.63840309      -0.31783901
K       13.50359998       7.83166004       9.34974002       0.54181776      -0.24219041      -0.15689309
K        7.43085995       7.64948995       3.22194005      -0.35943522       0.69440922      -0.26658470
64
Lattice="13.76443408 0.0 0.0 0.0 13.76443408 0.0 0.0 0.0 13.76443408" Properties=species:S:1:pos:R:3:forces:R:3 energy=-636.40450116 stress="-0.002416910788566164 -0.002107978556267796 0.00019035456268717515 -0.002107978556267796 -0.006992739729534818 0.0013135820000601023 0.00019035456268717515 0.0013135820000601023 -0.003369827352307849" free_energy=-636.40450116 pbc="T T T" config_type=melt 
Cl       7.42428000      12.35159999       4.43529997       0.51007063       0.49185423       0.66096241
Cl      11.98450005       9.63242998      12.84669994       0.47426846      -0.24401534      -0.05221590
Cl      11.75280003       7.82986997       7.09752995      -0.20162875       0.03251291       0.12974774
Cl       6.89938005      10.35260003       7.93103003      -0.03780951       0.02573729       0.30216748
Cl      11.80690004      11.85329994       4.64461998       0.55190177      -1.62413130      -0.58084108
Cl       3.92542004      12.77130002       5.19482006       0.47990028       2.73126095       0.49705997
Cl       4.46623994       4.30967996       7.67908996       0.00402620       0.16993507       0.29070757
Cl      10.49559998       1.40706996       2.71860993       0.00525998      -0.81596935       0.06798018
Cl       1.14878999      13.39350006       0.05476593       0.42009450       0.37013028      -0.29490043
Cl       8.72033003       4.84905996      11.32790007       1.54685620       0.95937893      -0.53192422
Cl      10.98459994      13.08440001      12.26590000      -0.78872843      -0.40239141       0.62131651
Cl       7.66696996       7.23618006       5.32863996      -0.06343975      -0.06697068       0.58173284
Cl       3.90929005      12.34199998      11.22540005      -0.10493849      -2.29366360      -1.74888414
Cl       6.62484002       1.22551997       1.12723998      -0.18320825      -0.37277924      -0.32477164
Cl      10.50229995       0.35431401       8.43491995       0.32038801      -0.81251473      -0.37043183
Cl       8.24084996       9.00102001      11.07270003       0.53528826       2.52400928      -2.47187160
Cl       0.77559200       6.64258994      10.09730006       0.32874136       0.57627926      -0.29830838
Cl      12.42270003       3.41550998      12.19029995      -0.32348650       1.74736235       0.39039998
Cl       9.56852006       6.27134994       2.61947999       0.29471012      -0.42763191      -0.06135433
Cl      13.61570001       5.60984996       1.69561999       0.06402835       0.92385592       0.05342881
Cl       8.26599001       2.76046001       6.16630006      -0.09786574       0.27090099      -0.05132351
Cl       5.97159993      10.53340000       1.90710997      -0.14821435      -0.06575454      -0.33025058
Cl       2.22401996       7.09217999       5.28660998      -0.04174969       0.09987475      -0.13427742
Cl       6.13166007       6.04246007       0.75080900      -0.37340566      -0.31901680       0.07394129
Cl       7.58163997       0.70205303      10.32939994      -0.83296391       1.43726310       0.21430656
Cl       1.84329007       1.89403004       8.22760004      -0.38436186      -0.07798871      -0.27228497
Cl       3.39873003       8.30927007      13.69390003      -0.19808931       0.15262850      -1.16090419
Cl       0.35524903      11.41280006       7.74926999      -1.18310223      -1.13818844      -0.30442159
Cl      12.88970003       3.39051996       5.78217999       0.33686110      -0.18787982      -0.01263802
Cl       4.41706003       3.79000995       2.98016997      -1.24704623      -0.92241177       0.05343010
Cl       1.37133006      10.38539999       2.95941995       0.15254875       0.03969745       0.07702937
Cl       3.51844000       3.68195996      12.42370002      -0.22768674      -0.17201261      -0.16847585
K        1.06130999       5.48353003       7.56283995      -0.11024718       0.06073787      -0.61194883
K        3.16730998      10.46650004       5.61416002      -1.00113429      -2.71175197       0.39316706
K        2.49760006       5.69522001       0.88847302       1.14806799      -0.67028119      -0.15724028
K        1.27305998       3.69782003      10.39500000       0.49497451      -0.02771546       0.32489066
K       12.27330004       3.29612994       1.80839007       0.13074890      -0.17736895      -0.04072520
K        1.63608000       9.91597993      12.08820006      -0.29478578       0.36648178       0.14332195
K        2.34765995      12.83600001       8.42234999       1.83918760       0.89401066       0.79255835
K       10.52049998       5.15089996       5.92400004      -0.36888794       0.12611943      -0.36498973
K        3.67203003       8.31270994       2.65219998       0.38505425       0.17766831       0.52789369
K        7.87992007       7.39039995      12.82170001       0.05257100      -2.21554232       2.67857017
K        9.89735996      10.72789999       6.81562994      -0.10868484      -0.14834209      -0.07925670
K        6.61565005       5.12570003       3.46626000       1.25078509       1.00804334       0.39214508
K        2.82342995       3.90809998       5.40763005      -0.32815502      -0.01915212      -0.28596161
K       10.23560000       2.25830000      10.46750002      -0.54396972       0.33073735       0.05505153
K       12.90240006      11.81349994       1.11233998      -0.43412321      -0.39219623       0.42286098
K       12.88759999       8.21694995       4.33182005       0.37931018       0.07200996      -0.21285134
K        8.64876006      12.18630001      10.93250005       0.34326216      -1.57176819      -0.44163777
K       13.33410006       6.12971997      12.43259996      -0.70646206       0.39973074       1.23467621
K        6.78743005      13.24690003       7.79501003       0.02604545       0.19014914      -0.50041670
K        5.15375002       8.96997006      10.55439999       0.26208400       0.32533359       0.02567901
K        5.91134007       1.39926993       4.71435997       0.25237275      -0.09189352      -0.35926037
K        7.11084002       5.46233005       7.83063004       0.13534882      -0.00705573      -0.25962470
K        3.74771996      12.64629996       2.41252994       0.04652643      -0.26719970      -0.66946278
K       12.92340004       1.00402999      11.71280003       1.70289556      -1.88676867      -0.48703645
K        8.53136995      12.60930006       0.31262705      -0.35240555       0.28046294       0.84411551
K       13.63259998       0.09426586       6.20532993       0.37516036       0.28887128       0.11718414
K        3.86972997       0.53800300      12.76819999       0.12139558       2.05817445       1.43258561
K        8.66463004       3.20491001       1.67535998      -0.33633779       0.70526206      -0.21399071
K        8.24978005       9.66502994       3.62498002      -0.21126485      -0.38483213      -0.08449205
K        6.65250997       3.42387999      11.66850003      -2.04338496      -1.11183525       0.56513634
K       10.80690000       0.30196897       5.47880002      -1.69312636       1.98190288       0.10740079
K       11.40360005       9.06066007      10.02329999      -0.00003967      -0.19135324      -0.13247300
64
Lattice="13.76443408 0.0 0.0 0.0 13.76443408 0.0 0.0 0.0 13.76443408" Properties=species:S:1:pos:R:3:forces:R:3 energy=-635.82385516 stress="-0.004749912700760838 -0.001184537069984438 0.0005559898068885864 -0.001184537069984438 -0.0065522317475574035 -0.0011454115209118898 0.0005559898068885864 -0.0011454115209118898 -0.005116635552893471" free_energy=-635.82385516 pbc="T T T" config_type=melt 
Cl       4.73659999       7.26904994       1.99443002       0.26335678       0.30578153      -0.16872041
Cl       5.78890997      13.01220005       5.20981999       0.17351147      -0.27860954       0.29074026
Cl       4.04854002       5.22677998      10.79590001       0.25358983       0.91800369      -0.58548691
Cl      11.19119997       0.50478805      10.96100000      -0.36397251      -1.28625315      -0.66859303
Cl       8.50729004       8.81185994      11.35239994      -0.13021794       0.00485509       0.58357740
Cl      11.76590005       1.54818005       6.43615000       0.18540708       0.45220567      -0.40247058
Cl       9.16121999       8.19376004       7.90963996       0.35489894       0.08662986      -1.01872348
Cl       1.78134998       7.53165002       6.87981996       0.56281171       1.77832592       4.41940064
Cl       3.97474999      11.44500003       2.79250003       0.70606966      -0.56692044       0.10799488
Cl      13.18450007       9.79732996       1.74953005      -1.18525657      -0.38630159      -0.95783691
Cl       2.90245997       0.99125893       8.16583999      -0.47442806       0.88798987       0.08281484
Cl       4.17992003      10.02740000      12.14410004       0.87355574       0.02794204       1.33467483
Cl       9.02976001      12.48059999       5.07258996       1.10637150      -1.09066663       0.14169457
Cl       3.16707006       3.03055000       5.02404996      -0.17343589       0.50204428      -0.31257263
Cl       7.23082996       5.16335002       9.54419004       0.23935842      -0.48808096      -0.00363994
Cl       5.26127998       1.03326000       0.56857794       0.13295826      -0.08383240       0.19434069
Cl      12.45669997       5.36312000      10.57900006      -0.71548875       0.73181502       0.04355935
Cl       7.57209997       4.46615997       0.10735804      -0.69022271      -0.36746540       0.59968035
Cl       8.53984994       7.94909007       2.44089995      -0.33116133      -0.40498992      -1.12274091
Cl       8.43950006      12.01290007       0.31790695      -0.35430582      -0.38524519      -0.14351830
Cl       8.05570001       2.30401995       4.10442004       0.32627292       1.45336923       0.50361012
Cl       0.58188003       2.26307998      10.48069998       0.65338163       1.57522685       0.93821356
Cl      13.72680005      11.03580006       8.65025006      -0.07042697      -0.29246376       0.65861086
Cl       7.28781004       0.73708104       9.83675006      -0.05112177      -0.28564047       0.13769001
Cl      10.64089996       0.79669893       0.64548506      -0.10718106       0.12769697      -0.22445235
Cl       0.70187107       7.91416997      11.57140007      -0.10925672       0.34322490       0.35899714
Cl       5.72488993      10.42899994       8.70019996      -0.45988265       0.54597039      -0.28131109
Cl       1.48721999       5.65993006       0.97130697      -0.32600908      -0.91050409       0.96584144
Cl      11.86490006       4.52096003       0.51954600      -0.40637120       0.16579724       0.88652914
Cl      13.61630000      13.74178291       2.33965001       0.73684912      -0.63227218      -0.12994081
Cl       5.21164997       6.46396998       5.94962006       0.84678144       1.57368673      -0.83070471
Cl      12.52709996       8.43127003       4.48712003      -0.35939738      -0.51429628       0.43578380
K        6.63865001       7.95556004       8.96712000      -0.05353745      -1.15353883       0.39047765
K        7.69690994      13.61160000       3.02772994      -0.76014535      -0.21794424      -1.22557104
K        1.61219995       4.91395004      12.04770000      -1.11887900      -0.11742910      -0.49051467
K        4.45431003       4.58925998       7.52263996      -0.89368256      -1.24056532       1.25432309
K       11.94399999       2.92635007      11.92519998      -0.02151874      -0.15967004       0.30906060
K       10.35879995       4.35256003       3.67685997      -0.04080044      -0.09677507      -0.37193061
K       11.18959999       8.23342005       9.89895994       0.50198488      -0.00552716      -0.08966739
K        0.47623703      10.36100005       6.03962996      -0.06065339      -0.29871894      -0.43792661
K        0.21024196       0.14069096       9.02142000      -0.40199160      -0.55206798      -0.72160725
K       10.00099995      10.54989998       2.27426000       0.58469709       0.14445907       0.23457825
K        1.46317999      11.38919998       1.78397995       0.59929072       1.07686293      -0.31175829
K        6.91748001      11.79129998      11.18900000       0.02819580      -0.15043646       0.09332060
K       11.19549998       0.71980007       3.33583001      -0.63261494      -0.04311296       1.17140782
K        6.12400002       9.98758004       0.82522806      -0.27129788       0.29355180       0.24554536
K        4.70328001      12.90670007       7.79708006       0.61416335      -0.29161903       0.06964570
K        8.83784003       8.66458999       4.94807001       1.21623463       0.34941565       1.68435012
K       11.98009997      11.72819996      12.81959997      -0.24648934       0.74951883      -0.03656471
K        8.13040001       1.63558999      13.03030000       0.14321934      -0.40960756      -0.05999623
K       12.47649997       7.35320005       0.33851203       0.30759276      -0.37161225      -0.13062645
K        7.22575006       2.61522995       7.74326993       0.10448144       0.26564779      -0.22531731
K        9.02985003       6.00829000      12.23579994       1.07303257      -0.07562929      -0.90990382
K        5.94488000       9.36504002       5.33493994      -0.88063335       0.59325021       0.08308817
K        4.10321001       0.63678801       3.47945995      -0.16971669       0.18639853      -0.22151040
K        9.76474005      13.72854373       7.70771998       0.02255798      -0.25919167       0.40908768
K        4.63623001       3.09893997      12.38749997       0.35897980      -0.66045416       0.21151894
K        0.79053398       2.56072995       2.43347996       0.34992338       0.87545119      -0.07330142
K        6.36610004       5.26006995       3.59036000      -0.16346155      -0.37547319      -0.55987911
K        6.23091003       6.97230003      13.03080007      -0.64888568       0.00450627      -0.15023484
K        2.81023000       9.41244005       9.96099996      -0.83839145      -0.29860288      -1.07968169
K        2.26627994       8.15992995       0.46943905       0.40913080       0.93563870      -0.32246369
K        0.13519799       4.93727002       8.23116998       0.25750296      -0.35775585      -0.04091727
K        1.47250994       6.60336007       4.78747994      -0.47532627      -1.84599229      -4.53007301
64
Lattice="13.76443408 0.0 0.0 0.0 13.76443408 0.0 0.0 0.0 13.76443408" Properties=species:S:1:pos:R:3:forces:R:3 energy=-638.49596023 stress="-0.002135012841650373 0.0028743584884546084 -0.0001069485647059568 0.0028743584884546084 0.0011750380735551925 6.009573398463612e-05 -0.0001069485647059568 6.009573398463612e-05 -0.0037874198956729657" free_energy=-638.49596023 pbc="T T T" config_type=melt 
Cl       2.53132003       6.65860995       6.62278003       0.44897790      -0.98903588       1.10659270
Cl       0.02276596       4.77702998      13.73470001      -1.36701746       0.17046147      -0.42164804
Cl       7.16059006       5.12868003       4.59569995      -0.54652607       0.15135100      -1.39801259
Cl      12.82329998       4.65380003       4.22307001       0.16427584      -0.62013336       0.03688060
Cl      11.36990004       9.71803003      10.45329995      -0.59794884      -0.14649661       0.60699939
Cl       5.69217999      12.22949996       7.95075006       0.50564508      -0.55658468      -0.14500222
Cl       9.98351995       0.14076598      12.00220001      -0.07840697       0.23012898       0.35685310
Cl      10.40280003       6.04988997      11.42230000      -0.50034269       1.39250923      -0.00008060
Cl      13.02320003       9.23376998       0.43860700      -0.24536896      -0.16397139       0.01745570
Cl      13.37949998      13.52190007       5.16868003      -0.29577364       0.16338176       0.12883089
Cl       5.05900997       0.79332307       1.45279004      -0.18935444       0.56365716      -0.11603032
Cl       1.81746001       1.96580000       3.28042995       0.23066899       0.21938717       0.00864392
Cl       3.36615994       2.66213997       7.69427997      -0.09242942       0.00095334      -0.77440829
Cl       7.04728000       9.73413001      12.06290007       0.74435367       0.03850750      -0.42266365
Cl       1.45752005       9.44883004      10.50340001       0.08039435      -0.47196311      -0.20474702
Cl       6.45894996       6.18318998       9.39604000      -0.09398361       0.03790783       0.12074372
Cl       8.90650006       3.45404998       1.26600998       0.05203962      -0.14680671      -0.40241264
Cl       4.19701999       9.70870999       3.76286001       0.12882221       0.11389976      -0.22299761
Cl       9.77471004       9.92815003       7.27635996       0.41437431       1.60159100       1.57726294
Cl       9.33299999       2.60869005       6.76619002      -0.90074136      -0.41427199      -0.29590677
Cl       4.27932993      10.68470004      13.39129996      -0.36172533       0.36597230       0.75302822
Cl       2.96535999       6.08896004      12.06180001       0.24308432      -0.27425871       0.14445181
Cl      10.02509996       6.22063998       7.40452005       0.33112197       0.36664746      -0.31569449
Cl       9.32204997       7.57573998       2.06394000      -0.12919478      -0.09539571       0.36686019
Cl       4.39588000       6.09896004       2.67013999      -0.40696602       0.38087849      -0.66338764
Cl       1.93687996      10.76969996       6.61346000      -0.76786874       0.26065220       0.18880807
Cl       0.87728199      12.51990006      11.50560002      -0.26575383       0.48106968      -0.86613154
Cl       5.52007997       1.71225004      10.02309999       0.52231130       0.38383146       0.64499120
Cl      12.97979995       8.23663997       4.31439001      -2.36205497       0.24596818      -0.84599390
Cl      12.90340004       2.44043994       9.41387003       0.03128036       0.16168934       0.15250533
Cl       8.94292006      11.95830000       3.34509003      -0.19479482       0.22053475      -0.22832713
Cl      13.57009995       0.00680830       1.04180001      -0.49791169       0.35790840      -0.15228037
K        0.55068404       1.66522000      11.94639996      -0.48016121       0.14044847      -0.38981603
K        2.45287996      13.03759997      13.66819701       0.85445284      -0.27195384       0.96148944
K       11.76539999       3.84215995       6.91058003       0.31914284       0.07819841       0.69968866
K        6.76090998       4.36245996      11.80069998      -0.21659788      -0.03068042      -0.57498095
K        0.95644703       2.52825001       5.93288003      -0.62910127      -0.21396425       0.56104288
K        4.53114007       9.99847996      10.75820005      -0.41201222      -0.36519894      -0.68191905
K        4.41085006       9.50342998       6.68359997       0.39113773      -0.19312832      -0.08160875
K        7.08867006       0.60659297       6.26415995       0.20977935      -0.18297743       0.11061339
K        8.61114999      12.06829999      10.12609994      -0.20105286      -0.11877168      -0.13752613
K        9.32832999       8.45520996      13.09710004       0.83831530      -0.17182905      -0.13935281
K        9.85053996       5.20783007       4.56778994       0.21104110      -0.06741857      -0.10952865
K        9.67639000       8.75767996       5.06372993      -0.30313349      -0.89502709      -2.09884055
K        7.94198996       0.49663207       0.99166498       0.06532811      -0.44364911      -0.01325730
K       13.15970000       7.19374995      11.36190001       0.32922590       0.26887988       0.19224831
K        6.21851998       8.96610997       1.38345006      -0.31285299       0.14154606       0.41876682
K       11.98360000      11.78719997      12.87170000       0.37985269      -0.14555080      -0.13335946
K       12.84309999      11.37720001       8.79466004       0.80826899       0.61607883      -0.15292095
K       11.78919994      11.87570005       3.04437995       0.62397873      -0.11120571       0.18726575
K        2.00286005       3.30466003       0.86307902       1.11216601      -0.10944146       0.06402047
K        2.50743007      13.40559996       4.78636998       0.19232803      -0.93265734       0.06205803
K        2.21788997       8.61549996      13.61350004      -0.20812641      -0.10845579      -0.08388469
K       12.79099995       8.61756999       6.97904006      -0.01317012      -0.11588557       0.96608661
K        8.83905997       8.24591995       9.34673002      -0.05755022      -0.64151361       0.29616252
K       12.16780006       6.42404005       2.01091004       0.08972949       0.58245394      -0.45524788
K       10.51320001       3.48864000      11.75939994       0.39563988      -1.65549846      -0.05055431
K        5.95918001       3.98338001       1.70875002       0.37090764      -0.24027658       0.44717975
K       11.54859997       2.33576996       2.01423002       0.60956475      -0.09546015       0.24429243
K        6.41882993       4.33104993       6.93763004      -0.09702603      -0.39284963       1.58800209
K        1.71990004       8.13439004       4.63784995       1.87766816       1.01257982      -1.09559493
K        3.01033005       4.43632996       4.37640003       0.03135797       0.23944800       0.65392298
K        3.53016000       5.32301994       9.25333998      -0.15102479      -0.00450842      -0.03624884
K        3.63089997      13.35610003       9.42923004      -0.63126229       0.39829849       0.04661816
64
Lattice="13.76443408 0.0 0.0 0.0 13.76443408 0.0 0.0 0.0 13.76443408" Properties=species:S:1:pos:R:3:forces:R:3 energy=-635.73584554 stress="-0.00867353271767327 -0.001274394809843427 -0.0040682664104444285 -0.001274394809843427 -0.011384224294130958 -0.0009840416403110207 -0.0040682664104444285 -0.0009840416403110207 -0.007990909294137167" free_energy=-635.73584554 pbc="T T T" config_type=melt 
Cl      12.38769997       4.77096001       2.49857004      -0.22642359       0.48399079      -1.21628933
Cl       0.84089295       6.70789007      11.96280001      -0.54963879      -0.54460451      -0.74837914
Cl       0.00352094       2.38152995      12.44090006      -0.60062171       0.50127041      -0.69863973
Cl      11.96830000      12.02570003       5.50064005       0.20742804      -0.75413849      -0.16846739
Cl       3.73189995       4.19952003       7.04270002      -0.67565610       1.40406215      -0.36246584
Cl       4.22236995       1.28894001       1.80755003       0.36941584      -1.39338609      -0.08007053
Cl       9.04670004       3.59125000       6.31000006       0.48583559       0.31542906      -0.47570845
Cl       7.51825998       9.44812999       7.40870004      -0.69730930      -1.55103603      -0.32370777
Cl      12.82300006       1.08233998       7.82000005       0.20596464      -0.48188553      -0.98003264
Cl       5.78563004       3.70570003      10.06500003       0.67984929       1.24642799      -0.89463677
Cl       2.51960003      10.06660001       3.88253998       1.60511284       1.46559134       0.88063915
Cl       3.54942003       7.53641003      12.99610007       1.12310195       1.13075360       1.40012483
Cl       3.73522998       9.59943002       8.96180996      -0.80747462      -0.82623689      -0.13540903
Cl       3.37627005      12.82130001       6.46535000       0.40618905       0.11663950      -0.76273807
Cl       6.18108003       4.06961997       4.40555007      -0.58831512       0.06525039       0.90374378
Cl       9.91684998       0.96065000       2.05323003      -1.08454056      -1.34555220       1.40395266
Cl       1.69672004       4.95642998       4.20757002       0.24906593       0.30271144      -0.54460539
Cl       0.80511299      11.05470000       0.79250698      -0.33109056      -0.01232060       0.07183304
Cl       9.06446001       4.08130006       0.05776589       0.75646721      -0.53442218       1.65645528
Cl       5.02011994       4.04837003      13.42969997      -0.59131629       0.21667635       0.23398755
Cl       9.41571006       6.88596000       4.03929004      -0.36662471      -0.88390418       0.29144200
Cl       9.56972995      13.29690003      10.91120000       0.50780279      -0.14827714       0.38109840
Cl       0.49108899       0.65451095       2.93277999      -0.03203400      -0.16509405      -0.17009952
Cl      10.29959994       4.26600995       9.89360998       0.18884999       1.04640469       0.07153992
Cl       2.79218001      13.62949996      10.27979994      -0.93361427       0.91381259       0.85461493
Cl      11.15430000       9.37084998       0.60997406      -0.99233592       1.27265292       0.57273118
Cl       8.37391996      11.71209997       4.85048994      -0.03716276       0.05143600      -0.55000737
Cl       7.85131000       7.93607001      12.35319996       0.23105598       0.37982852       0.01446009
Cl       5.62274999      11.67280004      13.72370003      -0.07822025      -0.10780563      -0.09061256
Cl      13.12539999       7.56891007       6.66654006      -1.85191038      -1.49758544      -2.59115548
Cl       7.02320999       0.37136595       9.03079000      -1.61363694      -1.33019486      -0.33581477
Cl      13.12810003      10.76510003       9.86446998      -0.05956268       0.45776717       0.16206097
K        2.01484997       5.51500007       0.95628007      -0.02672165      -0.15570482      -0.21642351
K        5.74176004      10.89669999       5.47279006      -0.49919640      -0.25968986       0.12087752
K        4.45371995      12.17929997       8.85262000       1.50635282       0.05518574       0.32707513
K        0.55867897       8.76285002       8.39715006       1.95283115       0.92401566       2.50396162
K        3.53911996       5.70385994      11.18709996      -0.06847449      -1.39607931      -0.99416904
K        0.91554601      11.40600002       6.17790003      -0.15576107      -0.15257290       0.25401396
K       10.04489996       0.21756202       5.15189003      -0.17825113       0.97918691       0.16707524
K       11.36529996       2.26089997       0.38960203       0.91187733       1.18193871      -0.91240273
K       10.19529994       6.50207998       7.35394003       0.03485625      -0.23254693      -0.05865797
K       12.07129995      12.24650000       2.54791003       0.34138003       0.09247126      -0.48894782
K        6.52516005       5.47789996       6.81514997      -0.24138240      -0.13722133       0.03746688
K        3.05027003      12.21330005       2.28220002       0.18193423       0.62998531      -0.50172440
K        9.66276005       6.97036998       1.13094000      -0.37775479      -0.45395162      -0.27153870
K        4.48683002       1.97222001       8.00066994       0.63924737      -1.55969724       0.52083193
K        5.63245006       8.19958997      10.45479999       0.42786700       0.03735409       0.37205473
K       12.75850006       4.16872004       5.12189003       0.03897394      -0.04115402       0.46387750
K        7.13408003      13.37869999       1.63331005      -0.10459213       0.56699066       0.36007891
K       12.78720000       2.99711000       9.66643006       0.28634863       1.05559908       0.66928076
K        8.07425998       5.09146995      11.73249997      -0.96199412       0.40319524      -1.41212273
K        4.17723004       3.79919000       2.69983002      -0.54852809       0.78367683      -0.02920168
K        1.90474001       1.22860994       0.08558932       0.56516728      -0.71389847       0.69393046
K        1.72154007       1.08275003       5.55241001      -0.43701863       0.93659787      -0.11757480
K        8.76088005      11.28830007      13.03790004       0.04231734      -0.41693411      -0.32326196
K       13.13630005       7.67791998       0.28076596       0.42723667      -0.33355585       0.07034676
K        8.85114005      11.32159995       8.63243999       0.91460155       1.42633347       0.70932357
K        1.00591998       8.13974000       3.84860996      -1.60055639      -2.50197932       0.22280568
K        8.78237996       2.28742004       8.77415998       0.38139838      -0.01424728       0.25736811
K       13.32940006      13.74210005      10.66080003      -0.10129231      -0.83442164      -0.23294126
K       10.30409995       9.35236999       4.47594001       0.25072442       1.05712839       0.31881744
K        4.75011006       1.78159003      11.54469995       0.09110860      -0.96835072       0.78846402
K        8.30645001       3.82487994       2.97033005       1.49630729      -0.05709063      -0.58056205
K        2.36922001      10.01400005      12.35510001      -0.08765726       0.30517575      -0.48796554
64
Lattice="13.76443408 0.0 0.0 0.0 13.76443408 0.0 0.0 0.0 13.76443408" Properties=species:S:1:pos:R:3:forces:R:3 energy=-636.7774672 stress="-0.006947894998269095 -0.0001471848277765108 -0.00030592049193381914 -0.0001471848277765108 -0.004591809919387385 0.0010077495508540129 -0.00030592049193381914 0.0010077495508540129 -0.004972012090666004" free_energy=-636.7774672 pbc="T T T" config_type=melt 
Cl       5.15066995       9.18066996       6.39742004      -0.02212513      -0.36581898      -0.31650691
Cl      10.54220002       0.28658598       0.11062200       0.41471370      -0.08954754       0.69426958
Cl       8.98775000       0.49316605       5.10873000       0.50746141      -0.22935333      -0.27026127
Cl      10.07200007       4.28201001      11.86499999       0.98559440       1.35554853      -0.72122470
Cl       1.66873997       4.75369005      13.37590003      -0.24776235      -0.17937919       0.23593757
Cl      11.46999996       8.31986001      12.66330000      -0.03131930      -0.17819362       0.62798600
Cl       1.20341002       2.82566007       6.39424005      -0.50896343       0.55019646      -0.17382683
Cl       8.74220006       6.69439005       3.92963003      -0.37686390      -0.07233441       1.00482958
Cl       2.92763993       7.64160995       1.70162004      -2.62729252       2.27091536      -0.38503864
Cl       5.08587002       2.27476998       7.36990002       0.16000106       0.86656265       0.41496407
Cl       3.37724003      12.44909994       8.01966996      -0.44319872      -0.24882063       0.41933378
Cl       1.48732005       1.80753998       2.52018997       0.33955685      -0.25079417       0.11369600
Cl       5.50027006       0.78544596       4.14749005       0.91483739      -0.46178777      -0.24313122
Cl      10.19150000       3.99465996       2.26588999       0.57741236      -0.47061523      -0.07662477
Cl       7.30397004      10.32189998       0.94541704       0.61932145      -0.16608453       0.72374461
Cl       5.81710999       3.20939005       0.39902296       0.33805331      -0.06924013      -0.17901571
Cl       3.96854002       5.91629003       4.05342997       0.27162613      -0.49065507       1.74102620
Cl      13.29450006       7.74020005       8.26657004      -0.23416559       0.05446957      -0.07930772
Cl       9.83790999      10.21249998       4.54266999       0.15918302      -0.62786304       0.71975788
Cl       8.82518996       0.78624196      10.09910004      -0.05973018       0.08994861      -0.07981770
Cl       1.47382003      11.48110001       5.08370006       2.70913221      -0.34890782       0.17931537
Cl      10.55120003      10.95159999      10.52349994      -0.13346696       0.22915960       0.28482524
Cl       7.06835004      10.43759996       8.57357005       1.19072446       0.16231433       0.12148534
Cl       2.06532002      10.10469996      11.60750005       0.93015991      -0.39175600       1.56526749
Cl       9.43994001       4.86566000       7.27153002       0.36339219      -0.15607363      -0.22823261
Cl       0.60070206       6.64562996       5.05542998       0.58129168      -0.18738065      -0.30965835
Cl       0.43883700       2.24304998      10.95530001      -0.37576383      -0.12263984      -0.13983331
Cl       5.90176002      11.55979995      12.21909996      -0.59486563       0.25495588      -0.90612406
Cl      12.93229999      12.15210007       8.20044997      -0.62925485       1.06885155      -1.06590601
Cl      13.07329996      11.72249997       2.40049005      -0.06447430       0.37918228      -0.07536611
Cl       5.80061001       7.20924004      12.81520003      -0.99304571       1.91849736       0.32996366
Cl       4.87705998       6.10082994       9.27037003       0.49685092       0.06430017      -0.38940934
K        1.51958994       4.70235999       2.86202997       0.01311841       0.42568991      -0.23300824
K       11.66169998       2.90884997       5.65853999      -0.05580132      -0.16373701      -0.46193067
K        7.09088999      11.40790006       3.62341996      -0.03119966      -0.28419144       0.63622074
K       10.25759997       9.92970005       7.80401004      -0.31519874       0.42281174       0.14191620
K        4.58457993       9.89743002       9.70233995      -0.31002686       0.27137521      -0.16587032
K        8.48363999      12.49399994      12.82979996      -0.02795652      -0.49209364      -0.72527431
K        7.85250999       1.66901994       2.65402005       0.04504349       0.71978723      -0.31298862
K        9.87836999       7.39289998       1.60724998       0.08350461       0.23539355      -0.66957554
K        3.22256000      13.09570006       3.95430994      -0.53508584       0.50779884      -0.45000050
K        4.97768997       6.29768998       1.59022998       2.52900831      -1.75536117      -0.47155929
K        2.81623005       5.85280998       7.23360997      -0.31900000      -0.08142073      -0.36282580
K        6.64616002       6.35983006       6.27432994       0.06274080       0.33720991      -0.08877926
K        7.43515996       5.55778998      11.88929999       0.96131405      -1.65247557      -0.90384993
K       12.03069996       5.18095997       8.46330001       0.22629151      -0.20664246       0.79416337
K        8.09078005       9.32339999      11.18920000      -0.03264344       0.32433531       0.13772736
K       10.32460001      12.22150007       2.81261001       0.07117981       0.72718927      -0.68769871
K        0.56506402      10.33810003       9.49510002      -0.26568066      -0.63378499      -0.59465884
K        5.81918002      13.40960005       7.12820000       0.51939487      -0.87866360       0.11100570
K        4.35443997       9.91102006       0.16068903      -0.02854101      -0.25210015      -0.17567167
K        0.17628400       9.75685000       0.66384200       0.16122539      -0.51238490      -0.72339110
K        8.85073001       2.18117995      12.68569996      -1.16620935      -0.63727820       0.40017865
K        1.44370001       0.87494905       8.52193003       0.27321429      -0.41200280      -0.25900831
K       11.78859995       7.08695997       5.61230994      -1.26856558       0.31221224      -0.15428825
K        4.07190996       3.11183999       4.84125002      -0.46028513      -0.08954706      -0.06151234
K        8.28267003       2.04641994       7.43807004      -0.44009176       0.27023319       0.42789606
K        3.01838004       8.85549994       4.63781994      -0.52251799      -0.21494445      -0.26328004
K       12.65110003       1.96876004       1.31431006      -0.19688640       0.01680510      -0.21026920
K        2.92136005       1.59797000      12.39150005       0.18481183       0.35037783       0.39555387
K       11.73550006       0.23989495      10.12730006      -0.18682714      -0.29623606       0.41714405
K        3.29934999       6.32238007      11.52839997      -0.43773766       0.17510194       0.52320905
K       12.52440007       5.62618999      12.81939997       0.20947594      -0.19750715      -0.04788404
K       12.89930003      11.00969994       5.22060002      -2.95708827      -0.49360669       0.50119281
64
Lattice="13.76443408 0.0 0.0 0.0 13.76443408 0.0 0.0 0.0 13.76443408" Properties=species:S:1:pos:R:3:forces:R:3 energy=-633.38751645 stress="-0.009523796610127143 0.0002672611461439196 0.0007111065753981074 0.0002672611461439196 -0.012408372767337788 0.00010580815360753017 0.0007111065753981074 0.00010580815360753017 -0.01298885239606662" free_energy=-633.38751645 pbc="T T T" config_type=melt 
Cl      11.99229994      11.30150002       3.15406006       1.02988363      -0.18117917      -0.01037661
Cl       8.54253002       1.58508002       8.17980001       0.31039860       0.66455207      -0.20767778
Cl       5.14055007       3.66553005       6.72499995       0.00143148       0.03377697       0.11534529
Cl       0.43476796       6.17702998       4.01848001      -0.05772794       0.22197274      -0.10220862
Cl       7.93766999      11.02190005       1.39276995      -0.43124037       0.10107240      -0.32777605
Cl       4.48899007       6.32338005      10.71479997       0.96960793       1.73885055      -0.32906650
Cl       5.96191005      12.13250006       9.09997996      -0.34087491       0.26186042       1.15862890
Cl       4.00166001       8.83596999       6.67745002       1.97507677      -0.42907027      -0.17585043
Cl      12.53190003       9.29768995       9.09201999      -0.10408006       0.48536041       0.18688301
Cl       9.99070994       1.04472000       3.62658000       0.92961297       0.23516414      -0.15793915
Cl       2.39813000      12.53669997       3.04666003      -0.07436414      -0.79623204      -0.15777182
Cl       7.41326997      13.64880003       4.99923998      -1.11186336      -1.01956826      -0.03059674
Cl       8.75558997       7.23956006      13.21659997      -0.18323127       0.21256051       0.41407919
Cl      13.72749997       2.05473999       5.71354006       0.45087443       0.31902397       0.87162921
Cl       0.65361998       3.99221994      11.54959996      -1.93748313       0.24973324       0.32305903
Cl       5.11502998       2.10787002      12.86569995       0.18883900      -0.04420093       0.65422361
Cl       3.35283005       1.53087995      10.14739999      -0.96504015       0.47889461      -1.89585227
Cl      10.44229996       5.60886002      10.77319998      -0.65648786      -0.65481729       0.27990144
Cl       9.41955998       0.37510106      12.11889998      -1.96305354       1.49958232      -5.10378048
Cl       1.04026004       1.32777994       1.61408003      -0.46671102       1.74052594       0.19641452
Cl       3.40638003       6.09492995       1.50967005      -1.24164232       0.20795120      -0.33799411
Cl       1.41122999       7.24380005       7.99121997      -0.63422396      -0.33064218       0.24474251
Cl      10.73960004       3.69192005       1.15690000       1.28588227      -0.51654726      -0.58610812
Cl       2.15072999      12.66990005       6.40125000       0.42079935      -0.91343002      -0.59524866
Cl      11.75739997      11.88530005      13.53140001       1.30255978      -1.88263264      -1.10764956
Cl      10.11910004       4.99622997       5.91912000      -0.63114304       1.02443585      -0.80928619
Cl      12.61190002       7.97877004       0.63272296       0.63976377       3.70805245       0.75880915
Cl      11.70690005      13.38790000       9.45163001      -0.20294768      -0.33510689      -0.58974812
Cl       3.09222994      10.67670001      11.94189995      -0.48775816      -0.28696686       1.14191960
Cl       8.72552996       8.25961997       4.69913994       0.73872798       0.76034666      -1.11566214
Cl       6.50412001       5.14197000       3.15850005      -0.05893255      -0.06524945       0.17918762
Cl       8.36712006       8.60624999       7.88699994       0.42782402       0.75918525       1.18693985
K        0.27559398       9.40104007       3.27934999       0.20869850      -0.60548499      -0.09940808
K        3.10878002       5.65483998       6.29518994      -0.22052114       0.36935120      -0.27755448
K       12.29230005       5.67184002       0.13076598      -0.11311668      -3.02830911      -1.41678294
K       11.15290002       2.88709005       6.97686996       0.29869217      -1.44570520       0.87972782
K        2.89406999       9.02392995       9.77912994       0.48636419      -0.71080011      -0.60988624
K        2.89225006       3.31572003       1.75850005       0.82800362       0.40109336      -0.06904082
K        1.73457003       8.24774002       0.01923098       0.37680359      -0.14795636      -0.25147418
K       12.66729994       3.59157994       3.43391000       0.10243042       0.23638813       0.16009719
K       13.28779994       0.14916586       3.79803998      -0.22127561      -0.68776447      -0.03769903
K       12.77770007       6.57419998       9.88033005       1.16057023      -0.13920049      -0.36697220
K        7.77696004       7.11652996      10.30220004      -0.32578778      -0.20687341       0.25206865
K       13.24710003       1.37499002      10.77840005       0.24460443       0.77078294       0.90031920
K       11.07150005       8.23783995       6.73748993      -0.31446349      -0.29084386      -0.17320105
K        0.46342000      12.80589995       0.65658002       0.06810521      -1.70313378      -0.52270535
K        7.08575999       6.82186000       6.34834006      -0.81353331      -0.94506658      -0.48461430
K        0.55990304      13.59165203       8.25961997      -0.57265407       0.35369831       0.47900708
K        5.32597007      11.83300002       6.53611007       0.01216950      -0.46303481      -0.89169382
K        9.43167997      11.50839998       3.77456006      -1.41141708       0.63575095       0.98281671
K        7.60252006       2.60413995       5.60155001       0.04109832       0.31873823       0.04871788
K        7.08592998       1.88580001      10.59080003      -0.62712666      -0.17718869      -0.04844686
K       10.42890001       9.38215003      11.93229995       0.35324640       0.25050950      -0.03257418
K        9.96102005       8.86162002       2.03481996      -0.10693230      -0.28632093      -0.28748549
K        3.75382999      13.34949998      11.78340002       0.82639438      -0.44039854       0.61837896
K        1.69462000       9.88500005       6.61157000      -1.72857866       0.08158317       0.03689558
K        5.06826999      12.60950006       1.99054006       0.68401083       0.02880478       0.03174082
K        9.32897004       3.22352998      12.69460005      -0.44321464       0.51463448      -0.76965596
K        5.68654002       7.41956995       1.27012995       1.42353685       0.19903796      -0.04594758
K        3.22936996       4.16212000      11.31150002       0.87819804      -1.05760859       0.33579062
K        3.51054004       1.23505996       6.59381003       0.47912984       0.92651733       0.24160526
K       10.11159993      13.60860004       0.45333205      -0.08433264       0.08975210       5.92451043
K        8.71441999      12.75819999       9.18478002       0.61806315      -0.49097204       0.07761674
K        9.06455994       3.80118006       3.06216993      -1.22964210       0.40276108       1.34468002
64
Lattice="13.76443408 0.0 0.0 0.0 13.76443408 0.0 0.0 0.0 13.76443408" Properties=species:S:1:pos:R:3:forces:R:3 energy=-636.44596684 stress="-0.004577176170713476 0.0021840665845272085 -0.003116501692245889 0.0021840665845272085 -0.0036204892174145 -0.000527037424612007 -0.003116501692245889 -0.000527037424612007 -0.006526067091641337" free_energy=-636.44596684 pbc="T T T" config_type=melt 
Cl      11.78189997       1.45715998       1.64669004       1.72886526       0.34185194       0.59768053
Cl       0.43224907       5.61975003       2.11839004       1.22995122      -1.29468105      -0.02181686
Cl       4.14987006       3.58160003       2.41963005      -0.54413298       0.01354295       0.58795676
Cl       0.30262402       2.06547997       5.98985006      -0.42391832       0.36176530      -0.12454483
Cl       2.71067006      11.85730003      13.07830003       0.77050141      -0.65867745       0.60688504
Cl      13.20060005       3.90270997       9.82554003       0.48802832      -0.33250216       2.81234864
Cl       4.88670995      12.62700002       2.93347000       0.16870230      -0.27554682      -0.51160403
Cl       9.12983006      10.82760006       7.71361006       0.76067460       0.39794784      -0.18328232
Cl      11.65460001      13.28750002      11.49730006      -0.05952094       0.52523555       0.24157244
Cl       1.36533000       6.62041998       7.54936003      -0.20693375      -0.21806862       0.71213384
Cl       7.41914999       0.25541600       6.34572000      -0.21599855       0.93965402      -0.10081201
Cl       8.44523997       6.73401001       6.93820002      -0.01642478       0.09291749      -0.15288693
Cl       4.88129007       8.97398997       8.34540997      -0.13952967      -0.00447235      -0.43893056
Cl       7.17707999      10.17400003      12.25370004       1.10333178       2.35779622       0.13467810
Cl       9.10075999       3.69472001       1.70701997       0.17023392      -0.18775233       0.59172963
Cl       3.50275006       7.59074996      12.25399996      -0.20418716       0.41360976       0.03836380
Cl       9.94288995       8.04946004      11.23860000       0.01284679      -0.46235495      -0.27186323
Cl       3.83522997      13.50960004       9.80394997       0.12495967      -0.23522115      -0.28550424
Cl       2.57676001       8.41861996       3.97712999       0.15085290       0.08918068       0.11824921
Cl       7.59541004       1.51549998      12.10960004       1.22819958      -0.31775509       1.38377160
Cl      10.07179994       2.88858005       7.28680001      -0.82787280       0.26018662      -1.44263519
Cl       1.71833998      12.65709995       6.60407004       0.10132648      -0.69870330      -0.19404346
Cl      10.07819998       7.58338998       1.80798003      -0.09959466      -0.07095287       0.28190311
Cl      13.62490002      11.03969994       1.11158005       1.60113833       0.50751883       3.19886682
Cl       6.51882001       7.66785997       3.00780001      -0.18562730       0.09443774       0.29642662
Cl      13.61000002      10.86319997      10.03910004      -0.22851342      -0.84746593      -0.40563642
Cl      12.55970006       6.65504001      13.42280000       0.16875388      -0.05395544      -0.72024078
Cl       8.84538005      12.27359997       2.69248999      -0.12097406       0.36526313      -0.17157623
Cl       3.06105997       2.89227002      12.21230006      -0.30805845       0.37779852       0.07782165
Cl      11.39250000       8.87575994       5.04894996       0.36781898      -0.03177570       0.49188941
Cl       6.88898997       5.27728994      11.00800003      -0.06966067      -0.70782170       0.05426695
Cl       4.58566994       4.21205007       7.71048993       0.19072874      -0.10392193      -0.02304820
K       13.02659999       7.32872000      10.63300000      -0.27805935      -0.06281430      -0.10816609
K       12.36090006       3.85155995       3.30394002      -0.14217812      -0.42716506       0.25340688
K        3.06620002       5.59689997       0.53521901      -0.11061915      -0.59048864       0.06790437
K        5.73500996       1.85643001      10.44759996      -1.86605049       0.53600155      -1.35425152
K        6.41638000       3.00138000       1.04413005       0.14269428      -0.31220977      -0.72486070
K       12.36259997       4.43314996       7.56633006      -0.14033444       1.17935776      -2.63219097
K       10.26229998      10.77570002      10.64770000      -0.35216202       0.39348628      -0.45402656
K        9.48227005       6.24957006       4.36016006      -0.11639896       0.07511021      -0.49087445
K        1.84501998       3.21219001       8.44941004       0.51659284      -0.44092408      -0.38489498
K        9.06827001       5.68339994      13.32900006       0.43741478       0.68951041      -0.12190993
K        4.55621997       5.86866000       4.40827006      -0.20215203       0.06517065       0.36129859
K        3.56552001       5.85417004      10.01079995       0.26831721      -0.29209049      -0.45940503
K       11.04470000       1.85968007       9.46619993       0.36510938      -1.04645407       1.41629407
K        3.40375997       0.58312502       4.47242003      -0.37847008       0.52423613       0.73898353
K        2.60215002       8.97968996       1.04897995      -0.18215984       0.79001764      -0.12104090
K       12.99930002       7.85628007       2.88214999      -0.52677268       1.27430747      -0.21989349
K        8.72154006       9.55035995       4.13276996       0.38892165       0.18621981      -0.39128464
K        7.61790994       8.80515996       8.71942997       0.57385116      -0.74095097       0.53761579
K        9.66336995       0.94232596       0.18422704      -0.35587297      -0.66158041      -0.29770165
K        1.28671994       9.36668996       6.66127007      -0.17327892       0.17066478      -0.69433823
K       12.53549998      10.57579997      12.80730007      -1.60254477      -0.87976029      -2.29717231
K       13.44940004       3.75525007      13.47949997      -0.01175040       0.19645301      -0.19891956
K        6.45834996      12.31080000       0.01448363      -0.39776066       0.42034845       0.56568379
K        2.51064998       9.84330001       9.49152993       0.18112896       0.50726440       0.77314067
K        8.91649001       1.18207005       4.32013997       0.42363304       0.04364937      -0.63494396
K        1.26198994      13.09650005      11.21159996      -0.28289312       0.79422854      -0.87932717
K        1.23791993       0.01898060       0.90141696      -0.12907829      -0.20358628       0.25871693
K        5.33788002      10.22209998       4.53804995      -0.39010594      -0.30914219      -0.26210270
K        7.66685998       4.38119005       8.28126000      -0.34591656      -0.18756579      -0.02283242
K        6.46415002       7.95209003      11.57340004      -0.90611932      -1.86542038      -0.38716775
K        6.58762002      11.96320000       7.66163005      -1.12931242      -0.50731629       1.01856905
K       12.63340007      12.61580004       5.84996005       0.00636057       0.04436479      -0.03242755
64
Lattice="13.76443408 0.0 0.0 0.0 13.76443408 0.0 0.0 0.0 13.76443408" Properties=species:S:1:pos:R:3:forces:R:3 energy=-631.81094731 stress="-0.011843679126041085 0.0018939053538834414 -0.0014964112812998552 0.0018939053538834414 -0.010022609799400213 0.004957187251948696 -0.0014964112812998552 0.004957187251948696 -0.014043185955843902" free_energy=-631.81094731 pbc="T T T" config_type=melt 
Cl       2.48757005       3.92968000      12.71859999       0.70142624      -0.16934734       0.76189968
Cl       0.39266586       9.26275004      13.35220002      -0.54668363       0.35226793       0.06412576
Cl       3.48516999       4.79085003       9.03481996      -0.12598769      -0.12448726      -0.75758250
Cl      12.95919996      13.14189997       2.42553003      -2.04782242       1.36074444       0.26479581
Cl      10.01380005      10.75020003      11.79539999      -0.13898461       0.66745722       0.08884880
Cl      11.72069999      13.41490004       8.87388000      -0.13387648      -0.36965274      -0.14467047
Cl      13.22639405       2.98611001       7.39673998       2.40924680       0.37452389      -2.66284968
Cl       7.68781000       8.75979996      13.10469994       0.01900626      -1.62373789      -0.03686748
Cl       9.48396005      12.44020000       4.06316996       0.04547930       0.20837806       0.00961747
Cl       3.09572996       5.76577003       3.19497002       0.03954154      -0.45154033      -0.20262974
Cl       0.60574604       1.26665993      11.20440006      -0.15465840      -0.04472960       0.25116384
Cl      11.80950000       6.29572001      13.66371104       0.22191532       0.14192322       0.46847948
Cl      11.49340005       1.30055003      13.68450002      -0.64142975      -0.19468496      -1.65925230
Cl       5.30995997      11.07900001       6.72700006       2.03059275      -2.07286723       0.51684910
Cl       5.87813998       1.75454993       6.95540006      -0.81703568      -0.32604631       0.40955912
Cl      13.75608361      10.18010002       4.95037005      -0.00808698       0.62567186      -0.65058466
Cl      10.54579997       3.56180003       4.72821001       0.55297128      -0.39653098       0.01306222
Cl       5.79548001       4.71377993      13.72430002      -0.83796062      -1.44434220      -4.75533895
Cl       4.39930996       8.11763997      10.07170001       0.40138898      -0.00387692       0.04955919
Cl       2.55023994      11.74269996       8.78607007      -0.44845554       0.30593949      -0.19983942
Cl       8.79050001       8.07685003       7.21337996       0.01336393      -0.04069453       0.39074316
Cl       6.15200996       0.22526598      10.82720006       0.83179044       0.17774510       0.10851240
Cl       6.49094001       5.36889005       5.10843007      -0.06682548      -0.34169768      -0.33049290
Cl       9.01152998       3.83728995       9.18447996      -0.18737286      -0.06411215      -0.02987510
Cl       9.22105000       3.78260000       1.86285002       0.28925306      -0.73747671       1.27274862
Cl      12.68669995       6.43957996      10.06950004      -0.78113847       0.05282627      -0.75331428
Cl       2.48201996       0.85661703       4.45475999      -0.39386712       0.47332022      -0.56218036
Cl       5.59877000       0.60163006       0.61174995       0.21770474       0.04687296       0.29494606
Cl       2.79242006      11.78870001      12.83440004      -0.62588848      -0.87988145       4.68130980
Cl       3.45790994       9.11249995       2.43428999      -1.10865760       1.12567804      -0.91114239
Cl       8.84371001       8.82789000       3.59412994       0.76772858      -0.99914369      -1.55727360
Cl      12.67660002       6.75361001       4.80715001       1.99759979       0.82376485       1.44019283
K        9.94374004       4.15027997      13.25810001       0.41532476       0.40688781      -2.39032697
K        0.09756589       2.86539001      13.65170006      -0.30917336       0.18665331      -0.03117626
K        5.04539997       6.92586998      13.15570006      -1.18906133       3.23431851      -0.79972821
K        3.59175007      12.74300007       6.19321999      -1.18899141       1.73945938      -0.25146210
K        6.64327004       4.13250004       1.95384999       0.63917168      -1.31052335       5.57839054
K        3.64180994       3.87587001       5.28316006       0.06145414      -0.39722131       0.31516937
K        7.81126004      10.19420003       5.51130996      -0.77441490       1.14757328       0.69426977
K        1.13104998       5.09616004      10.69740007       0.26868567       0.21375291      -0.32425455
K        7.83313999       8.88606001       9.90075000      -0.12774495      -0.01906445       0.36522180
K       11.09430001       4.92082001       7.12861996       0.14207658       0.97046539       0.24214366
K       11.29700002       1.79339000       2.46155995       0.13734459       0.11872821       2.07907936
K       13.29759995      12.99050001       5.71697002      -0.20281178       0.65189653       0.04921480
K       11.93539998       2.57433995       9.36012006      -2.07179809      -0.86326368       3.08947780
K        7.13340007      11.28210002      13.18300002      -0.71786689       1.52781286      -0.06377923
K        8.59584999       0.57025706       1.03473996      -0.25619430       0.04977607       0.12475324
K       12.56709996      12.69669995      12.02619996      -0.02143544       0.17402896      -0.25673866
K        7.61054005      13.27420000       8.58663993       0.06429425       0.17298880      -0.45829348
K        1.80678995       9.49603999       6.79288999       0.73035617      -0.45267369       0.69946871
K        1.94999994       2.16197003       8.89845006       0.26109806      -0.10407944      -0.56070573
K        0.92035407       7.37646002       1.76680001       0.03952349      -0.09457780       0.36098389
K        1.24706998      11.82320002       2.21865995       2.64485892      -1.89535180      -0.37069274
K        3.02981993       2.08017997       1.36367001       0.56959778      -0.08571838       0.12427400
K        5.16232003       7.86358994       3.87998998       1.08716371      -0.71729469       0.59999979
K        3.55966999      13.43790000      11.36649995       0.60835425       3.02228368      -2.42210664
K       12.05280000       8.85463993      11.32170002       0.13783924      -0.53551249       0.08974743
K        5.67061003       6.43567003       7.59407999       0.05666840       0.35605208       0.44750185
K        8.21652999       2.69654004       5.89531001      -0.03896019       0.22578596       0.07986258
K       10.99640005       9.95463996       5.50950999      -0.23366311      -0.44176959      -0.09502806
K        2.10355005      10.15999995      11.15940000      -0.39868890      -2.27252725      -1.75864650
K       10.56080004       9.68041995       0.90179603      -0.15832875      -0.36498925       0.20529939
K       10.72900005       6.13718002       3.45011996      -2.26303676      -0.38741218      -1.68536083
K        5.88068998       3.85052996      10.12879997       0.61408129      -0.70874800       0.45092245
64
Lattice="13.76443408 0.0 0.0 0.0 13.76443408 0.0 0.0 0.0 13.76443408" Properties=species:S:1:pos:R:3:forces:R:3 energy=-635.94007875 stress="-0.005097708713239014 -0.00069922385301105 -0.0017836825933541921 -0.00069922385301105 -0.006858556420897688 -0.001056009585981346 -0.0017836825933541921 -0.001056009585981346 -0.006853279362244955" free_energy=-635.94007875 pbc="T T T" config_type=melt 
Cl      11.78719997       7.79846999       3.54842004      -0.02794361       0.49486161       3.02154521
Cl       7.71799004       5.76323999       2.41768004       0.04024253       0.09292513      -0.13564964
Cl       4.68890003       6.66637998       9.90142005       1.06719589       0.92804139      -1.61128740
Cl      13.26770002      10.41109998      11.08580005       0.54659044       0.01392859       0.27365013
Cl       3.37733996       5.09038999       0.83282906      -0.72418876      -0.28375450      -0.34960067
Cl      13.68040001       0.66001095      10.50470006      -0.25784416       0.13609255       0.47976723
Cl      12.29159999       3.28701004       5.52046001      -0.14238843       0.52543942       0.57380647
Cl       7.94664000      11.99900006       9.88560995       0.17488258      -0.35047324      -0.01194307
Cl       3.35547998       8.02009005      12.76460004      -0.46265825      -0.37178207       0.36709650
Cl       8.68561007       4.39342002       7.67349994       0.96056993       0.15229889       0.09816122
Cl      11.38520003       5.69758006      13.08469994       0.14858425      -0.10176000      -0.13652746
Cl      10.59100003       1.19740996       0.85392498       1.06731143       1.31303978       0.19007167
Cl       0.28850405      13.21389994       5.12762994      -0.21264887       0.28728930      -0.12841663
Cl       2.14919002       7.64848997       3.44516999      -0.41861808       0.19416109       0.25881660
Cl       0.14198798       2.24745996       0.41886797       0.39969248       0.38053802       0.36047910
Cl       5.23299999       0.34448098       3.10217998      -0.20215647      -0.04082480      -0.37110449
Cl       7.21861995       0.80115696       0.01071410       0.07435450       0.29514501      -0.53478126
Cl       8.87262000       7.79676995      11.59730005      -0.84795231      -0.64280950       0.24443830
Cl      11.58070001      10.93379996       1.26001006       0.05349692       0.09320687       0.22877562
Cl       9.99710999       8.23310994       7.47799997      -0.64951096       1.40515786      -1.06267170
Cl       9.75835005      13.68339997       4.62681995      -1.68357102      -1.68118463       0.66026185
Cl       2.59198003      11.15589998       7.01382994       0.22679330      -0.16386536      -0.07068827
Cl       4.73277003       2.38186003      11.16290002       0.50885862      -0.19374093       0.08311194
Cl       0.99874803       4.44678997       9.13819003      -0.42271322       0.61808135       0.16657117
Cl      10.61770001       1.84411001       9.81112000      -0.62487427      -0.48122666      -0.89359447
Cl       3.85094000      11.03510000      10.77490003      -2.03687327      -1.07810236      -1.73691389
Cl       3.03253001       3.34275999       5.77128998      -0.25009673      -0.78656344      -0.34495060
Cl       6.61275003       1.35823994       7.18686994      -0.16983924      -0.25132555       0.32224940
Cl       1.92163998      11.92380000       2.01369995       0.40642842       0.09486421       0.46615499
Cl       5.69648000       5.73511994       5.51110006      -0.00971516       0.52940668      -0.31153726
Cl       6.28590005      11.29299993       0.93629397       0.84633176      -0.84849846       0.48815070
Cl       0.30319002       7.67149997       7.65048994      -0.83638677       0.02282178      -0.40776100
K        3.26065004       4.74208002      10.68880005      -0.87378751      -1.19884881       1.10667054
K        9.52459995       1.44268998       7.08707999       0.17424858       0.35966338       0.01096391
K        5.96864003       4.41354996       8.01929006      -0.80917875      -0.04124095       0.16132406
K       11.24330000       6.40358004       8.87082003       0.79993529      -1.35352175       0.52021271
K        5.05507004      10.94139999       3.26025996      -0.56529078      -0.00528314       0.20921971
K       11.47580002       3.12045997      11.92579997       1.17350679       0.02179673       1.12386683
K        5.87644007       2.58425997       4.75796996       0.08878016       0.84816836      -0.00606413
K        9.42733000       6.62442997       4.81920999      -0.59842699      -0.61945515       0.30130537
K        7.50876004       9.68511005       7.84934995      -0.35378120       0.12451588       0.49732575
K        0.08349065       2.20870000       7.85851995      -0.08411817      -0.50430935      -0.22094391
K       11.65269997       1.32473002       3.77567002       1.69601746       0.58060699      -1.53168988
K        0.72898095       5.50938996      13.27759995       0.21606837      -0.27435443       0.01757201
K       10.60850000       9.43677006      10.38839995       0.39383576       0.92034759      -0.25991742
K        4.79544005       2.78877001       0.75420895       0.61855938      -1.07900875      -0.42770012
K        1.84749001      10.27659999      13.38009997      -0.22201586      -0.09781951      -0.28813473
K        2.00449994      12.84170000       9.64967007       0.02701573       0.02375926      -0.51494715
K        8.21946003       5.15719003      13.37679995       0.19824152       0.25632344      -0.06991033
K        7.71906999       2.09412995       9.94064002      -0.67336050      -0.27894063       0.12649703
K        2.06391000       1.09129003       3.24792001      -0.54278124       0.68112836      -0.55830271
K        1.98956003       9.10209005       9.34432000       0.11527932       0.07829757       0.26613333
K        9.18544994      12.92810005       1.71889000      -1.15080147      -0.97431721       0.29423169
K        4.76315007       6.94609007       2.23682997       0.39488127       0.26071481       0.41467690
K       13.34330007       5.47089001       4.02863995       0.72014564      -0.02748513       0.04061311
K       10.11939996       0.06141333      12.22120000      -0.38967934      -0.78077010      -0.94837534
K        5.53179006       8.86415997      11.23740002       1.16424635      -0.01876894       0.46306237
K        5.33797004      12.10009996      12.37250004       2.03960167       2.46068155       1.07449356
K        0.19940894      10.23480002       4.46354995       0.64919266      -0.26416841      -0.08729464
K        3.47331000      13.14990000       5.02232996      -0.45034245      -0.32916161       1.37581166
K       11.66469994       7.83034003       1.11521000      -0.41361306       0.84953972      -2.81835374
K       10.51069998      10.87399996       5.13126004       0.25936703      -0.08569746      -0.07658172
K        0.00416594      13.09240004       0.08661022      -0.58172721       0.24172511      -0.31679432
K        2.43797996       6.14280995       6.45822994       0.43862811      -0.07550546      -0.05465071
64
Lattice="13.76443408 0.0 0.0 0.0 13.76443408 0.0 0.0 0.0 13.76443408" Properties=species:S:1:pos:R:3:forces:R:3 energy=-633.59395531 stress="-0.0049153503538628095 -0.0018272131436659147 0.00041106025481207675 -0.0018272131436659147 -0.007847047633064552 -0.00025111536691822887 0.00041106025481207675 -0.00025111536691822887 -0.007939277383568722" free_energy=-633.59395531 pbc="T T T" config_type=melt 
Cl       4.28010996       6.72198003       1.04421002       0.04653150       0.61768771       0.70731822
Cl       1.76480994       2.04730995       6.08904001      -2.08171003      -4.18790799      -2.93274963
Cl      10.34249997       8.98864000       9.21155997      -1.25882655      -0.30273276       0.15191259
Cl      13.10449994      13.63450002       9.80451995      -0.62061999      -0.14593423      -0.23651775
Cl      10.34080006       4.18514005       4.11720995      -0.72911788      -0.09179267      -0.17011367
Cl       8.39838996       6.50594999      12.36030007      -0.29525140      -0.30003148      -0.52372914
Cl      10.72109995       2.08558003       0.12974493      -0.39490747       0.41769618       0.42359882
Cl       8.17467001      11.44970003       0.83849794       0.61371087      -1.21636352      -0.86581396
Cl       4.29617994       9.30906006      10.80639994       0.16621541       0.17108056      -0.55922171
Cl      11.52569994       3.20518006      10.31659998       0.00663020      -0.00741846       0.23870651
Cl       5.46998996       5.65311997       4.43652996       0.31872218       0.30503636       0.54894850
Cl       0.17034506       4.32625000       3.00577003       1.01757629      -0.55768167       1.22081101
Cl       7.53441997      13.58660007       8.33903002      -0.23814405      -0.07550275       0.07015196
Cl       0.68479106       8.50391004       9.74549999      -0.96836861      -0.29427888       0.36977072
Cl       3.41129999      10.14680000       6.61318994       0.62080318       2.02403512      -2.16202141
Cl       6.03859006       1.97867002      13.44719994      -0.01020543      -0.02577257       0.01826159
Cl       2.70786005      13.65869996      10.55610003      -0.75403652       1.12716309      -0.49692423
Cl       7.66266995       8.15940002       1.67647999      -1.07269632      -0.12528485       1.14357923
Cl       4.30218000      12.46250003       2.23544994       0.05904139      -0.26284087       0.15317046
Cl      11.52489995       7.72375995       4.75692001       0.07447298       0.03582822       0.14071364
Cl       9.03020006      13.53860005       3.79081998       0.04534973       0.77021551      -0.06406893
Cl       8.18994000      10.25529994       5.73038002      -1.15893831      -0.13947945       0.86229927
Cl       6.04446995       4.31655006       8.58889001       0.19205711       0.05440553       0.11355802
Cl      13.25430007       7.12832994      13.45379998       0.14431942       0.20044279       0.07844107
Cl       5.15364004       1.49780002       4.97177002       0.38764026      -0.17263044       0.14850102
Cl      12.60600004      12.16530002       4.84071004      -0.05018498       0.19690066      -0.11229784
Cl       0.42451001       0.31495902       1.08375001       1.17036733      -1.11024032       0.03496664
Cl       1.51629006       6.33063006       6.02770996       0.38543867       0.38882419       0.37203527
Cl      10.88080001       2.27473997       6.99233004      -0.27679935       0.16036217      -1.45242938
Cl       1.38783004       4.16150005      13.58889997      -0.47622983      -1.59032121      -0.22340292
Cl      11.70030000      10.38369995      13.44760007       0.61264738       1.18465873      -0.20395558
Cl       2.04520000       4.48449997       9.56786996      -0.47386166       0.01156426       1.15513649
K        4.13944006       2.76949003      11.34749994      -0.47670891       0.14295265      -0.26463720
K       12.17849998       4.72374001       1.05178005      -0.37310362       0.36456814      -0.59019128
K       13.00839996       5.51717994      10.88969995       0.53215136       0.69161018       0.47354285
K        2.93962999       8.44519000       8.34119998       0.11515480      -1.99534851       1.11538516
K        2.42192004       0.82449304       3.50543000      -0.07270216      -0.63051489      -0.70888066
K        0.19872402       1.30798999      12.35430002       0.13187639       0.72068657      -0.88855148
K       12.28610000       0.93936702       2.71396003      -1.36395172       0.48204058       1.25136481
K        3.75450996       3.65470996       4.00044006      -1.03187447       0.53850684      -0.81570460
K        7.26703001      13.72209124       1.33507000      -1.00820453       1.19250469       0.76771418
K        5.47024006       9.12097003      13.23400000       0.71797049      -0.49348377       1.30214246
K        8.25488005       3.53546000      12.52310002       0.50911939       0.62378501      -0.29049258
K        8.07969996       3.53283003       6.42525999      -0.13140415      -0.02372277       0.06831075
K       13.16639998       4.54185004       5.80331995      -1.00425425       0.11289480      -0.90448295
K       12.49159997      10.59730001       9.44304995       0.68933008       0.86538892       0.58351046
K        5.10674998       9.45995997       4.09322997       0.53137929       0.05973978      -0.14218367
K       10.61439998      13.33169996      12.77799999       0.16396541      -1.16474141      -0.11484559
K        0.30856406      10.62149995       1.25393003      -0.17125080       0.16991596      -0.20143953
K        9.37690000       8.99853994      13.65210006       0.56971488      -0.40293692      -0.97038490
K        2.83485003       6.09974007      12.58039998      -0.22128202       0.94193184      -0.93503567
K       13.44280000       2.28072998       7.84628998      -0.14501774      -0.49497892       1.69225965
K        9.94589005      10.67430005       3.82086994       1.01104554      -0.34513707      -1.19014816
K        2.67460999       3.87232993       7.09047995       3.46337299       4.63768688       1.83504523
K        1.77575996       7.82138007       3.60650003      -0.29428350      -0.54943783      -0.24959071
K        7.02353002       7.38156001       9.10034004       0.28985321       0.00223308       0.37717644
K        9.60789006       1.53480997       9.14748006      -0.32002840      -0.18600768       1.26886777
K        7.98716001       2.95626996       2.82632998       0.09313219      -0.24663938      -0.09039053
K       10.09560002      12.95919996       6.64705003       0.33704166      -0.27141373      -0.23044909
K        2.89757001      13.58350004       7.48226006       0.15855925      -0.72260509       0.30655418
K       12.31940002       7.82171000       7.69397000       0.36022980      -0.30428717      -0.77366635
K        8.05411999       6.42567994       3.83731005       1.07347681       0.55150328       0.02344970
K        4.81659007      12.42760003      11.34760000       1.19258483      -0.89304507       0.41797780
K        6.79894001      12.93620000       5.57812996      -0.32751761      -0.43333596      -0.07086137
64
Lattice="13.76443408 0.0 0.0 0.0 13.76443408 0.0 0.0 0.0 13.76443408" Properties=species:S:1:pos:R:3:forces:R:3 energy=-637.44647249 stress="-0.0008639895140329838 0.003634155850490863 -0.0022245045669312016 0.003634155850490863 -0.0035115436756222077 0.0002603647217069665 -0.0022245045669312016 0.0002603647217069665 -0.0050537997277459714" free_energy=-637.44647249 pbc="T T T" config_type=melt 
Cl       7.87539006       2.55368999       0.18956599       0.10575467      -0.78288985       0.22037268
Cl       2.48292002       8.80819997       5.48689007      -0.13883583      -0.11341668       0.00336023
Cl       8.90040998      10.47029998       1.03132004      -2.13616326       1.73284271      -0.61206904
Cl       8.12235002      11.27340007       6.16102002      -0.03491020      -0.46642143       0.65850816
Cl       1.46998994       7.35704005       1.65423997      -0.17489704      -0.32150416       0.36813311
Cl       9.08954996      12.25869997      11.12609998       0.28865743      -0.98779653      -0.20429203
Cl      11.24370000       7.59116000       9.51382006      -0.30566419       0.33986211      -0.72342217
Cl      10.89640006       8.99097996       2.44127999       1.19824922      -0.78510474       0.86990745
Cl       9.28482998       3.38741002      10.92550001       0.17727943       0.19876522      -0.25474947
Cl       0.26375698       3.99771003      11.15979999       0.55161317      -0.87618957      -0.26947660
Cl      13.36410006       9.92348004      12.49990006       0.76061238       0.13859062      -0.17422249
Cl      12.71119996       0.62445094      10.72140001       1.37691150      -0.25069655       2.12939956
Cl      12.66380006      13.02730005       2.65138003      -0.29325270       0.17587929       0.33100640
Cl       3.20331994      12.94540001       3.38435996      -0.38644112       0.12412409      -0.24278789
Cl       7.64401997       7.84332003       8.30241001      -0.14802627      -0.09769110       1.17805732
Cl       6.52911003       7.71432994       4.07353003      -0.43307103       0.02998748      -0.56455827
Cl      12.11339998       3.26401999       1.53602000      -0.04318015      -0.05421737       0.52150815
Cl      10.55160003       5.61170995       4.65758002      -0.16320199      -0.28046425      -0.08129851
Cl       6.04162993       4.11539002       9.20641001      -0.11979643       0.86173133       0.68918977
Cl       2.56456995       3.01116995       4.29686995      -0.54907616       0.25543495      -0.20322369
Cl      13.72680005       4.07843995       7.03426999      -0.49437043      -0.70564701       0.50367376
Cl       4.25967997       9.70906002       9.42146002      -0.15126482       1.13858464       0.30713187
Cl       3.41206997       2.48236999      12.39199998       0.40555427      -0.11586109       0.71630150
Cl       9.43683998       2.35914995       7.11531993       1.17612139      -1.40097678       0.60213172
Cl       5.79503996       7.87241006      12.58019998       0.03679031       0.07970176      -0.48167613
Cl       5.80007994       4.81002003       1.05166002      -0.32565214       0.49348586       1.20723965
Cl       6.81417999       0.63861496       4.88963999       0.05459771       0.30143221      -0.35082230
Cl       5.37453994       4.50019996       5.90967994      -0.86788299       0.45671461      -0.44967281
Cl      13.16559999      10.97929995       8.50594002      -0.53778523       1.44060947      -0.07234161
Cl       9.95816999       6.70597998      13.27710002       0.65460676      -0.43745091      -0.18354110
Cl       3.39003999      13.57339709       8.04412000      -0.08581235       0.19265013      -0.01378654
Cl       2.14375004       6.42212005       9.19585007      -1.28381887       0.55848339       0.66928887
K        4.65887003       1.76730998       2.65313004       0.79739483      -0.02999280       0.05001582
K        8.60259002       7.92994002       5.82280998       1.32174326       0.23531442      -0.77992523
K        9.94070003      10.46499999       8.67449997       0.11303100      -0.20598903       0.02258021
K       12.45099998       6.07589002      11.43480003      -0.04597187       0.68978274       1.06773140
K       11.81440000       6.23893002       1.86415007       0.31349073       0.29324619      -0.13434161
K        6.29169006      11.07230003      11.72030000       0.02149862      -0.64208776      -0.08013374
K        1.94239000      11.90149996      10.52750002      -0.54481141      -0.64763049      -0.37594006
K       10.64339999       9.65760003      13.02540000       0.70917927      -0.55040631      -0.77030333
K        0.38573299      10.33520000       3.25160007       0.10212610      -0.22142370      -0.27313834
K        8.94713005       4.20385004       2.26484004      -0.16771945       0.14058512      -0.42975084
K        0.29173498       8.51108998       8.17674004       0.42958973      -0.93848608      -0.18682632
K        1.40817002       0.34666594       5.51102999       0.25763558       0.02181900      -0.06324571
K        4.02434999       6.04567998       3.09194006       0.12997970       0.15915027       0.29823810
K        2.87884997       7.26294996      12.84389997      -0.33987554      -0.00186759      -0.07049459
K        5.26458000       8.23823995       6.79508005      -0.61592248       0.25486376      -0.65032383
K        2.07475004       1.41961996      10.20690006      -0.72396404       0.64711010      -0.06134117
K       10.99969994      13.24229996      13.44493307       0.42116323       0.14039543       0.08615987
K        2.75586998       4.46577002       7.50813995       0.54641713      -0.83774235      -0.60687691
K        8.07221995       4.29852994       6.17046999      -0.26442080       1.53160397      -0.40792959
K        5.84266999       4.54125996      12.10679994       0.13118919      -0.52211884      -0.15216788
K        5.12450005      11.79630005       5.18510003       0.22933814       0.04464330       0.26979979
K        5.95025006       2.06335997       7.48839005      -0.07040718      -1.17226433      -0.64886684
K        8.00481001       0.91025001      11.62080007      -0.46495970       1.16180369       0.03611472
K        9.37507002      11.13090005       3.68158998       0.32885614       0.25088437      -0.17802031
K        8.78913995       6.32234001      10.65800007      -0.42694366      -0.07998468      -0.23545716
K        7.90825994       7.79115007       0.93321198      -0.94409220       0.02255146       0.88532362
K       11.46850005       3.94361002       9.14538002       0.43105829       0.10006202      -0.19761806
K        0.21392394       5.32599994       4.64781003      -0.01779310       0.29317434      -0.71479842
K        4.65474001       7.02191999       9.47674996       1.71587289      -0.50045181       0.61875153
K        1.43202006       2.32438002       1.39334999      -0.43701991       0.02381740      -0.33557780
K       11.48039995       0.66700094       8.59325003      -1.18128713      -0.42605428      -1.85373720
K       10.47109997       1.57978002       4.35738006       0.13197959      -0.07685942      -0.22116967
64
Lattice="13.76443408 0.0 0.0 0.0 13.76443408 0.0 0.0 0.0 13.76443408" Properties=species:S:1:pos:R:3:forces:R:3 energy=-635.97104567 stress="-0.005829648054242785 0.00029920729323876553 0.0011474158130469207 0.00029920729323876553 -0.010100379533636995 0.0005310513828214263 0.0011474158130469207 0.0005310513828214263 -0.005331954872574807" free_energy=-635.97104567 pbc="T T T" config_type=melt 
Cl       0.77329595      10.37779996       2.86282005       0.12381928       0.20751696       0.48534683
Cl       8.65824995       2.15111002       0.83094994      -0.48667266       0.08673944       0.28820686
Cl       2.86548002      12.92939996       5.68861005       0.08469978       0.39767359      -0.94783445
Cl       3.81934994       5.63841997       9.14561002       0.58739810      -0.43064252       0.11174381
Cl       2.31250999       4.67200006       2.81586998      -0.54183239      -0.85547908      -0.13342072
Cl      10.46229996       6.19733996      12.00659995      -0.49883262      -0.29890081       0.36159853
Cl       7.82129005       4.14084995      10.02489997      -1.21403335      -0.14600902       0.61496380
Cl      10.45830001       7.54810994       6.78817994      -0.21160870      -1.62029899       1.02577443
Cl      11.97889999       7.24919007       2.84402003      -0.12367097      -0.21063382      -0.05307814
Cl      11.94200002       2.20016000      13.13289996       1.01853489      -0.29840580       0.42886409
Cl       4.62921001       2.10171993       5.21943005       0.27493869       0.40392150       0.01536642
Cl       4.32370000       0.40155699       9.99878994       0.38793327       1.29724691      -0.11304978
Cl       7.47248002       9.04432994      11.66619999       0.68824333       1.18413905      -0.48553471
Cl      11.37729994      11.15339994       7.00849003       0.09570152       0.51280746       0.94395507
Cl       4.70420002       9.79549998      13.29269995      -0.32150867       0.39176987       0.73539281
Cl       8.76455006       0.06629805       5.48491996      -0.05136062      -0.07943359       0.20375201
Cl       2.72546999       4.73056002      12.84200007      -0.94011240      -0.81606964       0.81756092
Cl       0.87229899       7.34002005      12.34709998      -2.38149705       0.58678920       0.19269061
Cl      12.85859998       0.09771193       2.30716994       0.73642939       0.54209468       1.25982430
Cl       3.42665999       9.67840002       8.02863005      -0.08610617       0.19252532       0.30144783
Cl       7.14523996       9.69096998       7.68352995       0.22903346      -0.60201473      -0.04624182
Cl       6.90758998      10.95410002       3.76679994       0.30938795       1.14981093      -0.18037772
Cl       8.71845999       4.74507007       5.18444003      -0.50587851      -0.15427352       0.98696579
Cl       9.76864997      12.31339996       1.05373006      -1.18674140      -1.65217835      -1.03041862
Cl       0.84292899       6.62442997       5.86145005      -0.30436908      -0.45336365       0.63559143
Cl       9.50694995       1.43215000       9.10613005       0.21484988      -0.12303130       0.04544844
Cl       0.43276207       1.40153996       6.65175995      -0.32724519       0.43295767       0.37866471
Cl      12.32310004       4.15024996       9.65964997       0.21220044       0.53652707      -0.56378945
Cl       2.93016997       1.11098997       0.69438005       0.81319248      -0.67396213      -1.29916263
Cl       3.84914994       6.95276004       4.38045998       0.88368344       0.59341491      -0.50000161
Cl      13.01600000      11.72859995      10.84259998      -0.38643380       0.29248888       0.24588383
Cl       6.83053999       6.13495004       1.19304003       0.00695907       0.28789747       0.45752117
K        7.36859006       6.47945002      12.20869997       0.05582681      -1.22057291       0.08566649
K        2.35493005      13.37390006       8.18677005      -0.66562224      -0.10961525       0.79533933
K        9.15366001       6.30808006       9.23323001       0.55017091       1.11409675      -0.65022508
K        7.71877998      10.06099995       0.60292695       0.19900099      -0.13443119      -0.02297032
K        4.85890001       7.05649996       6.85765000       0.45128695       0.70831410       0.97534780
K        1.08089004       5.49245998       9.43786007      -0.34603892       0.46688970       0.40496993
K        6.95855005      12.42510000       7.46801002      -0.17331798       0.65500549      -0.48266618
K        9.98675996       4.62981000       2.84720994      -0.03546807       0.09918326      -0.84895601
K        4.66999004      11.76770003      11.01010007       0.19995056      -1.51811089       0.11753710
K       10.10939996      12.53569998       9.76963000       0.26890784      -0.66026518      -0.18714334
K        4.66352006       3.69753002      11.42740000       0.95709556      -0.97096343      -0.77042024
K        3.39744003       7.16558999      11.99949998       1.74630961       0.98813464      -0.50359749
K       12.62680002       1.36589999       9.68396003       0.05100574      -0.44872959      -0.12152274
K        2.36111000       3.88479996       6.17217004       0.04901305       0.05635974      -0.50026486
K       12.60939999       5.71216003       0.46011902       0.39839808      -0.04292495      -0.45260934
K        0.62451302       2.64290995       1.11295002      -0.03577500       0.28603222      -0.06183023
K       11.53469996       8.58314996      12.06820006       0.88316731       1.40288852      -0.13289325
K        9.92818995       0.38083505       2.87688000       0.17223542       1.18219746       0.93069959
K        2.27951003      11.30919999       0.68862996      -0.00885397       0.19588771      -0.39975735
K        9.47897003       9.71583006       5.66087004      -1.48218561       0.73784672      -0.82083188
K       12.02710001       4.93893001       6.76994000      -0.20667867      -0.03095131      -0.40148163
K        2.77883002       0.60047495       3.26761994      -0.31374620       0.19517281       1.41376572
K       12.69349999      12.82600002       5.23871003       0.44120904       0.55125787      -0.40654153
K        6.65296007      13.32949999       1.50207002       0.34755508       0.40508159       0.21551731
K        1.58795995       7.58361998       2.87738007      -0.66623759      -0.50360046      -0.12735809
K        5.91285003       8.67773007       2.98138000      -0.67460574      -1.85455030      -0.41467058
K       10.29149999       3.48154994      11.47790006      -1.19233131      -0.58364130      -0.20110205
K        3.25848999      10.40839995       5.24104007       0.15372964      -1.44545803      -0.21506703
K       12.67500004       8.82560001       6.08039994       1.34295738       0.08599820      -0.56701444
K       12.16980003      12.99169999      13.67179999       0.26312097      -0.13495673      -1.28847844
K        7.01804998       3.11262994       7.42337003       0.24028566      -0.43633676      -0.54957182
K        5.30812999       3.95195994       2.82147995      -0.06946672       0.28313755       0.00447660
64
Lattice="13.76443408 0.0 0.0 0.0 13.76443408 0.0 0.0 0.0 13.76443408" Properties=species:S:1:pos:R:3:forces:R:3 energy=-634.60254877 stress="-0.01225128059863898 0.004600158193745128 6.602134785064018e-05 0.004600158193745128 -0.009770997552181984 -0.0032714521432617326 6.602134785064018e-05 -0.0032714521432617326 -0.011066029818327506" free_energy=-634.60254877 pbc="T T T" config_type=melt 
Cl       4.50253001      13.51840005       6.55817005       0.30015969       2.79313521      -1.43152941
Cl       8.05324994       9.41264004      11.42870005      -0.24152065       0.10930175      -0.33916724
Cl       5.80102005       6.01302001       9.81466998       1.22941537      -1.61957125       0.10009133
Cl      11.46669994       2.56196999      13.32120003       0.22049696      -1.49512638      -0.39611137
Cl       4.88226005       1.35815997       0.97677696      -0.37734591       0.68310420       0.50226609
Cl       6.69627000       9.71139007       6.34538993       1.79420352      -1.31802618      -0.02199679
Cl       9.98228996       5.93328002      10.91570000       0.45151794       0.14810572      -1.23552154
Cl       3.57969999       5.25659994       5.22928001       0.02468630       0.81292762       0.27542109
Cl       9.77522001      12.78930004       5.65093005       0.21628375       0.84849183       0.73455377
Cl       6.65935007       7.29297005       0.47878497      -1.33947342       0.49005367       3.51611402
Cl      11.84559998       4.15113006       2.45490994      -0.31744471       0.33395042      -0.32996863
Cl      13.30049998      13.57599994       8.14159999      -0.22843485       1.52041478       1.59782514
Cl       4.32050004      10.17710006       4.30910998      -0.34015904      -0.30227531      -0.50697582
Cl       9.70746996       7.76241998       4.06159999      -0.94162762      -0.62558032       0.30273772
Cl      10.69880005      10.76650001       1.31588995      -1.63834299       0.30819447      -0.21360379
Cl       6.95898005       0.17396001       9.34502006       0.42169942      -0.27392228       0.33911299
Cl       2.68285998       7.00191999       1.45004996       0.80220040      -0.66008772      -2.35085534
Cl       7.95740998       3.26363996      12.75879998      -1.19306016       1.05779902      -1.51712212
Cl       3.15526004       2.43789999      10.29619999       0.33198272       0.38402609       0.11760397
Cl       6.89210995       3.34375006       4.47979006      -0.45018305      -0.20878771       0.10102643
Cl       6.87345006      12.21219999       1.42686996       0.44496689      -0.43796105      -0.26261416
Cl      13.42359999      12.09359998      13.19300002      -0.00435014       0.30616916      -0.95502430
Cl      12.52940000       7.94381994       0.14477005      -0.14991814       0.31527884      -1.43079837
Cl      11.17609997       9.74964996       8.52764006       0.99527728      -0.38729898      -0.49892523
Cl       0.66694905       6.17587005      10.10420004      -1.01886438       0.13367582       0.11800123
Cl      13.71753562       9.48898998       4.08348998       0.07304119      -0.27981971       0.52311066
Cl      13.48720007       4.34468003       6.56415001       0.27092664      -0.13151360       0.13148467
Cl       9.66327002       3.52011995       6.60998998      -0.75895076       0.70419759       0.20277705
Cl       3.42039002       7.72771998       9.61205999      -0.13897401       1.28798989       0.33958730
Cl       0.83603301       0.31171502       3.60899002       0.10515712      -0.47104301      -0.13390920
Cl       4.13804999      11.32749994      10.41369994       1.84926961       0.01351768       0.23213119
Cl       1.88802998      11.16529998       7.80068001      -0.35417866       1.53383535       0.31688422
K        7.15635006       2.95370000      10.09629994      -0.27686540       0.19593701      -0.35670057
K        7.43913994       1.07319999       6.65848002       0.05914303      -0.09148201      -0.40654648
K        7.66710003       6.45576996       6.90371998       0.14931148      -0.15939467      -0.21450805
K        1.66724006      11.39500003      11.07809995      -1.54670428      -0.07459552       0.01534468
K        8.82899005      10.83749999       8.14236997      -0.88466338       0.95673690       0.01186010
K        7.72988994       6.40349002      12.32760004       0.97881043      -1.65367100      -3.29322870
K       10.35550006      13.03730005      12.75480004       0.12802796      -0.23839623       0.13933847
K       11.94659996       5.46594996       8.56686003      -0.17181674       0.49514595       0.38564585
K       11.46099995       2.04773004       7.94041999       0.84338433      -0.65803715       0.30850525
K        4.19073006       2.80067996       4.17078994      -0.44910303      -0.65627852      -0.38790310
K        9.05046998       2.40005000       1.02771996       0.58831490      -0.92486502       2.06160860
K        4.25933998       4.70515005      12.10499996      -0.44446292      -0.16944001       0.07583352
K        2.45021999       7.73122000       3.80814005      -0.77423412       1.06131210       2.21512557
K        9.16294000       8.69386997       0.22823606       0.52121181       0.26217930       0.33064032
K       13.07659998      11.37720001       2.05845006       1.48088306       0.05013139       1.04489108
K       11.53750005       5.30281994      13.06429995       0.83254695       0.11006137       0.42304095
K        5.39401001       7.10256003       3.09468001      -0.01498923       0.08290988       0.26519726
K        9.00750994      10.58530004       4.30838005      -0.39545353      -0.50350158      -0.82142680
K        6.08716998       8.61744997       9.02753004      -0.12215505       0.82532874       0.56563100
K        4.96297001       9.08759004      13.25120004      -0.79906988       0.81698985      -0.51006643
K       12.18279999       8.93349996      10.92370003       0.25287287      -0.58789331       0.81194337
K        1.73400996       8.68308994       7.57225001      -0.59671646      -2.02431640      -0.47839819
K       12.06240000       7.35197006       2.65947999       0.55120979      -0.26579738       1.09330144
K        4.70163007      11.15219996       7.25251005      -0.71265951      -1.28854728       0.89510106
K        2.42384995       0.18816697       8.49471994       0.11146266       0.37296887       0.17509091
K        2.79892995       5.31766007       8.38224001      -0.04966298      -0.97652129      -0.25971998
K       13.55140001       2.83228998       4.22408996       0.15492110       0.12926717       0.26606578
K        5.05415002      13.29929999       3.37197995      -0.26330493      -0.52472002       0.18784751
K        9.32321004       4.25104003       3.83688996       0.79573966       0.76046878       0.06063675
K       13.13579999      11.87610004       6.27877998      -0.25693643      -1.38018507      -1.52252006
K       13.63120000       0.85131703       0.90397301       0.14702386       0.51035783      -0.28001683
K        5.40798999      13.15879994      12.81300006       0.12547772      -0.02530831      -0.62821982
64
Lattice="13.76443408 0.0 0.0 0.0 13.76443408 0.0 0.0 0.0 13.76443408" Properties=species:S:1:pos:R:3:forces:R:3 energy=-632.14114332 stress="-0.008241761069641992 -0.00010634365636600358 0.0023782161283176302 -0.00010634365636600358 -0.006945036699164897 0.0011195723160061732 0.0023782161283176302 0.0011195723160061732 -0.008253144121774468" free_energy=-632.14114332 pbc="T T T" config_type=melt 
Cl       4.16382004       3.26300996       3.76281996      -1.65554722      -2.54849847       0.50821054
Cl       5.20455000       5.21275003       9.47456995      -0.33218092      -0.86065317       1.57755627
Cl       8.74090001       2.49312001      10.07400004      -0.21900127      -0.72521399       0.66324492
Cl       8.27290994      11.75400001      13.33940006      -1.53886242       0.47596667      -1.39221711
Cl       7.69129997       3.94803005       1.33513001      -2.06839617       0.96125257      -0.91014232
Cl       5.06292994       0.95643203      11.35649995      -0.31522082      -0.96173175       1.46443739
Cl       1.84696999       7.23047002       8.93275007      -0.62298876      -0.00616509       0.44829773
Cl       7.36509995       6.41946998       7.52669000       1.04545652       0.22234268      -0.11927520
Cl       6.04234995       8.81901001      11.87799994       0.01972542       0.04572959      -0.13366645
Cl       6.28478995      13.29269995       3.18363996       1.13504591      -0.54394303       1.06436409
Cl       1.25763996       6.60771995       3.12778995      -0.18138182       0.34618464      -0.13156759
Cl       1.29706997       1.79552996      13.13340002      -0.01427542       0.76236190      -0.44271546
Cl       1.14517999      10.42530006       6.04105995      -0.57843698      -0.54443564      -0.20887926
Cl       6.02056994       9.83672006       6.65972997      -0.25226255       0.23376495      -0.00757633
Cl      11.86080005       4.60127000       1.06949006      -1.87562686       0.18097802      -0.19392493
Cl       9.47081006      11.53670007      10.10050002       1.56638147      -0.52285164      -0.84985475
Cl       8.76383004       8.22021996       3.55467006       0.49358080      -0.57749300      -0.00612729
Cl      11.12279995      12.45459993       6.49719994       0.05609686      -0.04315226       0.69564884
Cl       2.75092002      11.72129998       0.57271594      -0.07859459       0.11376131      -0.12353473
Cl      11.74289996       0.13967404       2.16295005      -0.66858155       1.89949758       0.76060930
Cl       2.22722005      11.54240006       9.14074994      -0.21591621      -0.52848240       1.49659028
Cl       0.79777903       8.19892005      13.08360002      -0.29969972      -0.42696371       0.34255865
Cl      11.06529999       7.86008001       9.71239996       0.20407565      -0.18875827      -0.69161096
Cl      12.33640006       3.73204998      10.17910003       0.45177876       0.15691541       0.72117695
Cl      12.26660006      11.85450006       0.35129396       0.47992851      -1.32635785      -1.46392326
Cl       0.86878204       1.28654995       8.37465994      -0.97846464      -1.08472683       0.71010818
Cl      11.84969999       9.97388994       3.93820005      -1.28467325      -3.11058671      -0.71716674
Cl       7.13483006      13.59610001       7.92691997      -1.69225276      -0.10692914       1.27262105
Cl       5.38969995       8.00482997       2.77569999      -0.40853589       0.59245602      -0.38798046
Cl       2.12977006      13.44739993       4.26675998      -0.12852981       0.17808516      -1.43290593
Cl      11.53879997       4.14815006       5.42101996       0.42441527      -0.31399642      -0.19296204
Cl       2.40911003       3.60200003       7.23099004       1.44849067       0.02633953       1.27512701
K        5.41992995       5.23585996       3.05047003       1.57777090       1.65317834      -0.43676641
K        9.85422002       4.98679005       9.79860001      -0.65927658       0.93417763      -0.40013716
K        8.83143007       9.63551004       7.84355003      -0.22988198      -0.05908969      -0.29320253
K        0.49461806       4.54136993       0.47470106       2.48031696       0.24338281      -0.21221513
K        8.74841002       0.11056598       6.06323005       1.17538250       0.32055619      -1.99586733
K        9.54682001       5.96638005       5.69370000      -0.89153628       0.70180482      -0.01107537
K        9.27161998       9.07685007      11.39970004      -0.80296349       0.29070901       0.92163236
K        1.23545995       4.48531001       5.18906006      -0.72595546       0.06893069      -1.19641086
K        0.45327699      12.96260005      12.25749998       0.63779235      -0.29811861      -0.09334611
K        2.65995005      12.68800000       6.66888001      -0.03084315      -0.05182434       1.91727268
K       11.08909994       6.98645001       2.50619994       0.42262865       0.35256215       0.21367206
K       12.85240006      11.80160004       9.21937005       0.20270316      -0.01277297      -0.72383490
K        0.34939295       9.94419000       1.92025996       0.18407444      -0.12444593      -0.40232151
K        5.01794998      11.60260005      12.40829996       0.08991298       0.07209118      -0.20413552
K        9.70709006      11.22959999       1.55930006       1.39728848      -0.35229363       2.00858646
K       12.83249999       6.45131001      11.46899997       0.35448114       0.06380245      -0.18422580
K        5.25109994       6.36850001      13.21140004       0.36334511      -0.16299006       0.04114583
K       10.66060003       1.38473001      12.80950004       0.12508348      -0.08363781       0.15545569
K        9.84780001       3.05746002       2.18057004       1.75271716      -1.37253604       1.47672454
K        3.09881994       9.14992999       4.42443997       0.48938376      -0.31045692      -0.22071676
K        3.02076996       8.84345000      11.47420004      -0.21428541       0.25652493      -0.76529113
K        4.61764004       7.49569002       8.15888000       0.25169250       0.47430982      -0.50749740
K        7.08752995      10.33690004       4.03265999      -0.57733169       0.18502288      -0.11605708
K        7.65083006      13.20080005      10.89720005      -0.93514864       1.16838149      -0.04366275
K        1.87569994       3.68458993      10.34400002       0.13633773      -0.39812114      -0.96729939
K        5.84724997       2.29843999       9.21819002       0.01427644       0.88917063      -0.97116665
K       11.02960001       1.66812002       8.66497002       0.90023986      -0.44654211      -0.84105856
K        4.76515004       0.53204796       5.40447001       0.09700744       0.80764220      -0.06875629
K       12.94509995      12.12210007       4.22388996       1.41177309       2.79945540       0.70179083
K       13.57740006       7.82155997       6.73845000       0.12328274       0.16293006       0.09836067
K        4.91165000       0.19351996       1.06147998      -0.66781566       0.63407856      -0.94388994
K        1.25931000       1.14359997       2.05821001      -0.36799876      -0.18057866       0.46977306
64
Lattice="13.76443408 0.0 0.0 0.0 13.76443408 0.0 0.0 0.0 13.76443408" Properties=species:S:1:pos:R:3:forces:R:3 energy=-635.40224343 stress="-0.004363896788425787 0.0013219191333240557 -0.0018528832848139388 0.0013219191333240557 -0.007963547547978301 0.0015800972296898966 -0.0018528832848139388 0.0015800972296898966 -0.008380669650076073" free_energy=-635.40224343 pbc="T T T" config_type=melt 
Cl       5.58755006       9.61944007       1.03727000      -0.37435090       0.40038053      -0.69964768
Cl       3.67848004      11.42760000      10.77479996       1.57876462      -0.76354274       1.35054244
Cl      12.20120001       4.14537006      10.56619996      -0.23363993      -0.25793812      -0.13853247
Cl      11.93519998       0.69670294       4.75761002       0.81553565      -0.26627051       0.45447753
Cl       5.74076996       5.67947996       4.33887997       0.70704176       0.55282147       0.68532241
Cl       2.55156999       1.96529994       5.35204004       0.57209868      -0.02521639       0.16315507
Cl       4.28158001      11.65750004       7.34392998      -0.17579159      -0.24818562       0.13108858
Cl       8.41923000      12.40600006       6.82900002      -0.07816224       0.20621021      -0.27416866
Cl       2.60648004       6.93090996       3.37504006      -0.96952527      -0.32684211      -0.25121491
Cl       5.08278996       1.12163001      13.15080005       0.15808838      -0.95989905       1.57637169
Cl      10.23639999       6.94694993       2.02753005       0.38575593      -0.10462202       0.24765177
Cl      10.23489994      12.61310001       0.96719306       0.03573026      -0.07502535      -0.01301232
Cl       1.27339005       2.67825000       1.43258000       0.30658366       0.04137250       0.21686006
Cl       7.51231994       6.53616995      12.55910007      -0.20177712       0.29647928      -0.28630356
Cl       0.47737301      10.09099994       2.43570002      -1.22556578       0.09386535       0.46217528
Cl       2.98328004       7.42417002      12.74780000      -1.33439353       1.14440871      -1.96175770
Cl      12.63870007       8.01444002      11.09809995      -0.28913732       1.81402255       2.47998213
Cl       1.41238001       1.24459004      10.46100004      -0.32465617      -0.19324417       0.35709644
Cl      11.85209996      13.63720006       8.78577000       0.74829064       0.64639200       0.13219310
Cl       9.04942003       4.32474995       5.58156997       0.19070065       0.13773042       0.74907053
Cl      12.17760006       9.41040002       6.04352998      -0.51163077      -1.97239530       1.82084865
Cl       7.85570994       1.97156000      11.07660004       0.67612624      -0.32653159      -0.09946149
Cl       9.26197001      10.93680006      10.94740005      -0.53912321       0.02150431       0.30525275
Cl       4.94665007       3.32114005       9.40356997       0.12835098      -0.24444690      -0.61767387
Cl       6.95811000       9.25109996       4.54855001       0.28939332       0.53697010      -0.12006353
Cl      11.55320004       3.29102994       0.48177405      -0.12320369      -0.39380917       0.25999820
Cl       0.24614497       5.19630001       5.43634005      -0.19689385       0.12851125      -0.09841306
Cl       5.68136005       7.84582997       7.75390007      -1.93958004      -2.52916024       0.63190444
Cl       3.42418006      12.15410004       2.53585996       0.84828626       0.41619284       0.69451256
Cl       6.98454005       1.43682000       4.12350002       2.14797157      -0.64279084       1.62677759
Cl       2.27940006       6.02979995       8.91876995      -0.51753077       0.77936162       0.14272981
Cl       6.17722007       4.43010995       1.26556002       0.27063528      -0.91018919       0.02074457
K       13.42000004       4.99604002       2.34570003       0.02305757      -0.14270671       0.22657101
K        3.92921999       5.00667002       7.00586997       0.22639938      -0.29189244      -0.51880860
K       13.40869999       7.86952999       4.13620005       0.28001119      -0.65088974      -0.35375441
K        6.80777003       0.60066394       8.30537997       0.32640915       0.32048570       0.53965634
K        8.88002004       4.06697995       2.79093006      -0.22129638      -0.04318671      -0.73038423
K        4.91079000       0.10201799       5.67486007      -0.68078172       0.00368963      -0.36459000
K        9.78334998       4.55511001      12.25840004       0.02160077       0.15234874      -0.08687279
K        6.90758998      11.87739995       3.12687007      -0.18075921       0.13028199       0.08092009
K        2.42493004      10.31249997       0.59824195       0.80686562      -0.17598272      -1.11390587
K        5.67586006       3.51303003      12.16140001       0.18505297       1.17249695       0.29889056
K        6.56496005       5.99887003       9.86207001      -0.17348582      -0.51463264      -0.29436810
K       12.72899998       0.70481404       2.24040005       0.49339251       0.17689014      -1.14310393
K        4.38199004       6.53842002       0.78534204       1.40917470      -0.40792097       1.85736736
K        5.73981003       9.15206995      11.00450001      -0.33085625       0.06783399       0.53662354
K       10.71880005      11.22130003       8.46334997      -0.29654527      -0.70263781      -0.01881691
K        3.67883998       4.25531994       3.47951005      -1.15540128      -0.59484468      -0.24390677
K        8.09210006       8.84331002       1.63265004       0.59809746      -0.48246740      -0.15496889
K        0.64841895       1.85315999       7.77430006      -0.47154573       0.52491002      -0.44654219
K        8.44159005       6.78659001       4.72815000      -0.09163677       0.66133669      -0.04851061
K       12.43849995      11.69340003       5.15344996       0.39952101       2.18789759      -1.16176383
K        5.21109004       1.74678005       2.45613993      -2.33763372       0.19697627      -2.35659308
K        9.71832996       1.74102996       5.62207002      -0.82526509      -0.62404348       0.80651534
K        7.72656005      13.33450005      13.14980007       0.02952259      -0.01742182      -0.44897684
K        7.08168007       9.79165007       7.53332997       1.70914461       2.88538031      -0.52762489
K       11.48569995       0.90174001      12.00180002      -0.08611351       0.14139177      -0.50072104
K       12.72119995       6.78970999       8.98469002       0.46018584      -1.75467732      -2.21580180
K       11.81940007       9.65599001      13.74080000       0.00927406      -0.15962332      -0.23119158
K        4.13522003       0.59012300      10.72559996      -0.02057853      -0.06766642      -0.63463049
K        0.55169393       3.55799995      12.51950007       0.15467150       0.21221679      -0.41475097
K        4.22577995       9.06209005       3.46314001       0.23175052       0.73780170       0.44060943
K        2.48485997       8.80907002       7.18282003       0.33583497      -0.48265330       0.29606430
K        1.70383997      12.14510003       9.40221004      -1.65245883       0.56519535      -1.02113648
64
Lattice="13.76443408 0.0 0.0 0.0 13.76443408 0.0 0.0 0.0 13.76443408" Properties=species:S:1:pos:R:3:forces:R:3 energy=-634.18923017 stress="-0.008766007328821959 0.0010725107068045917 0.001689624810932705 0.0010725107068045917 -0.006593270125690253 -0.0004237765744334596 0.001689624810932705 -0.0004237765744334596 -0.002562812998700324" free_energy=-634.18923017 pbc="T T T" config_type=melt 
Cl      12.15239999      13.76114355      13.75399995       0.04581925       0.12102501      -0.33421367
Cl      12.12940004       2.47169003       4.46529005       0.13280396       0.16504170       0.12991928
Cl       9.99775994       6.61730000       3.20902998       0.09572998       0.76655482       0.14463431
Cl       2.55055996       4.05815998       9.67777002       0.39253331       0.07783738       0.19178528
Cl      12.98930002       6.91010998      11.41199994       0.34041185       0.25306629       0.23158010
Cl       5.16519005       6.17289005       0.89320303       0.27749969       0.26357745       0.73812153
Cl       5.48278001       9.75612998       7.60673996      -1.15904366       0.44872327      -0.67554366
Cl      11.84539998      13.24309995       7.31772002      -1.22064133       4.04194954       1.97740665
Cl       3.49776995       1.12001998       4.91335005       1.79257268      -0.22036283       0.77667786
Cl      12.18599994       9.95443997      13.55220000       1.86627712       1.67552079      -0.70904849
Cl       6.85689998      11.38839999       4.32652997      -0.34940248      -1.09445941       0.21264241
Cl       8.55689004       1.24994000       0.65758703       0.09077839      -0.47368331       0.27110751
Cl       8.22611004       5.93008998       8.95739006      -0.14395243      -0.11727844       0.00095035
Cl       0.91697297      11.29970005       9.98254006      -0.35167624       0.26163917      -0.13558271
Cl       4.64933994       8.59810006      11.77140005      -0.18620129       0.19245497      -0.21523614
Cl       6.57141997       2.50969996      12.18459996      -0.79372303       0.33982618      -0.48777843
Cl       0.49026602       7.72824000       7.83250999       0.17996039      -0.13028231      -0.25573230
Cl       2.57428998       0.49937601      11.04530000       0.57869498      -0.10961255      -0.00023132
Cl       4.63895000       6.68866005       4.85533998      -0.18855339      -0.43313469       0.21282335
Cl       8.69104000      10.09700000      12.18889997      -4.29274841       0.12248998       1.60484015
Cl      10.46719996      10.21870003       7.62217003      -0.44178985      -0.23792695       0.16114666
Cl       8.90592002       3.81244005       3.87023994      -0.57909335      -0.66556162      -0.10829970
Cl       6.85576001       2.07056001       7.03400998      -0.54939207      -0.32180155       0.42378340
Cl       1.13327004       9.77688000       4.52919006       0.01749317       0.23869141      -0.13733925
Cl       1.87231004       0.98138598       1.28892996      -0.18530441       0.13450597      -0.06633492
Cl       9.75248007       6.03738994      12.99620000      -0.04199887      -0.39125450       0.11171470
Cl       5.03963997       2.40189003       1.91733997       0.93600141      -0.45569051      -0.22581233
Cl       9.98869001      11.88109997       2.85537996      -0.06111400      -0.96197285       0.14264983
Cl       7.46492995      12.60529998      10.11300005      -0.08066047       0.95738875      -0.37007953
Cl       0.93542199       6.12057997       2.15461005      -0.04213979      -0.33023720       0.42567114
Cl      10.64829999       2.21238006       9.57648003       4.35047369       0.42506682      -0.83824973
Cl       3.71290998      11.49529995       1.10874003       0.22989561      -0.33962444      -0.16602075
K        1.01361995       1.24915006       4.33343999      -1.64313826       0.14728323      -0.99074137
K        6.00667997       3.70496006       4.57268994       0.41163506      -0.26302560       0.23968391
K        7.46183997       9.90964004       9.35966996       1.22265470      -0.71833129       0.70843745
K        3.67450005      10.73750000      10.25540000       0.64602307       1.02343352      -0.24578079
K        4.42406007       7.09912002       7.85427005      -0.04285066      -0.43996883       0.10820628
K        3.65321005       4.43247000       2.89801006      -1.16380897       0.95074831      -0.36692151
K        5.03685006       2.04197004       9.69311998      -0.50383050       0.01390814      -0.15923110
K        0.68099799      11.63469995       0.12440805       0.12412006       1.44237395      -0.17282606
K       11.67260004       7.27546004       5.52808000      -0.05470946       0.24569951       0.38406488
K        1.22883995       2.69434998      12.54420007       0.03025504      -0.00710638       0.22539165
K        5.88343997      13.48350005       2.96076996      -0.41418110       0.77629817      -0.71671142
K        4.58552996       0.44882599      13.33719995      -0.13641974       0.08571398       0.31195740
K       10.59830000       0.72594603       2.66350994       0.29135882       0.51770311      -0.36035550
K        8.35606006       2.48255003       9.95382002      -4.12070939       0.81325275       0.49258315
K        1.59479000       8.55692995      10.55439999      -0.83759091      -0.92342024      -0.01933584
K        7.30455007       7.85000004       4.51486005       0.35061284       0.25890402       0.02134730
K        3.37237004      12.03630002       5.82694000       0.21392950      -0.58858598      -0.26529318
K        9.44605004       1.96692001       6.11045995       1.26775419       0.34086333      -0.22444059
K       11.19609997       5.06928003      10.18280005      -0.34183815       0.43352441       0.08304767
K        7.59994006      12.70159995       6.63143001       0.25606738      -0.15895051       0.66232086
K       12.75790007      11.59260005       5.99609003       1.42721433      -3.91920999      -2.67269315
K        1.53079006       6.85485004       5.25378002       0.16361477       0.13981339      -0.30016029
K        9.32342999      12.26130007      13.59650000       0.66512482       1.11605070       0.82638993
K       10.80680007       8.28083000       0.94266800      -1.60769454      -1.71889850       1.08546554
K        6.12378998       9.26524993       0.63071500      -0.19865310      -0.02100490      -0.16726532
K       10.70390005       9.42725994      11.23939999       4.05060897      -1.87837682      -2.57425383
K        7.83081999       3.95843996       0.61405893      -0.45514032       0.47805906       0.30591577
K        1.09654997       8.86409995       1.43764999       0.17462938      -0.09528825       0.24895179
K        0.30233896       0.52344505       9.30507003      -0.19946003      -0.02009979      -0.09609028
K       11.13620004       4.20772996       1.54406999       0.06159812       0.15455038       0.30688691
K       10.52459999      13.33510005       9.67058003      -0.50172364      -1.52879375       0.86706704
K        5.08536996       5.83760000      11.94439999       0.20503730      -0.85959545      -0.57756887
64
Lattice="13.76443408 0.0 0.0 0.0 13.76443408 0.0 0.0 0.0 13.76443408" Properties=species:S:1:pos:R:3:forces:R:3 energy=-635.50852619 stress="-0.008064673951832016 0.0020648193320584995 -0.0005257899841150897 0.0020648193320584995 -0.00501637610089885 -0.005060929441069523 -0.0005257899841150897 -0.005060929441069523 -0.006767188117241562" free_energy=-635.50852619 pbc="T T T" config_type=melt 
Cl       5.43920002       0.34473204      11.04869995       0.85702703       0.01939579      -0.40091074
Cl       3.25925006       0.46301395      13.33870000      -0.48261125      -0.06213268       0.54529615
Cl       2.32103004       4.56644006       2.26274000      -0.12682244       0.07129663       0.06435415
Cl       1.37184994       3.71699995      12.00610003       0.04514542      -0.03490172       0.43636367
Cl      10.51340001      13.49720007      10.91580007       0.15170481      -0.48806225      -0.61005871
Cl      10.99609999       0.87624195       1.07326000       0.31052966       0.38129427      -0.32535032
Cl       7.78562998       7.70317001       8.44758997      -1.40453526      -0.83939000      -0.42989608
Cl       5.52866003       9.08965003      11.38179994      -0.21064330       0.78409558      -0.14366697
Cl       3.39704003       9.19194001       6.13429995      -0.07159241       0.61188180       0.40132624
Cl       9.95611000       5.33729999       1.73417995       0.62925498      -0.16233576      -0.49358924
Cl      10.82690000      10.39349995       2.27905003      -0.59365279      -1.21689887      -0.10433883
Cl       9.62551996       4.20924006       5.43278001      -0.84845759       0.55016748       1.37040749
Cl       5.17917004       5.88165996      10.56659996       0.24743546      -1.32872118       0.73571083
Cl       6.33530005       3.74544002       7.74547995      -0.76902122      -0.83932862      -0.18427464
Cl       1.66440005       6.93480007      10.52069997       1.47584996       1.90898428      -0.54922035
Cl      10.58129996       3.48678001       9.94474003       0.54253457      -0.44228582       0.26880272
Cl       8.49456000      12.49999999       7.22982007      -0.16379230       0.04545053       0.07381163
Cl       8.10494998       8.53368003       0.64037694       0.55515530      -1.44334523       0.06413917
Cl       1.91673007       0.43422701       3.65089006       0.32524578      -0.68073986      -0.36985171
Cl       4.10170005       9.42574998       1.35969003       0.14975512      -0.09917647      -0.19560505
Cl       1.44843002       2.94336002       7.17548001      -0.18520271       0.31084347      -0.27266935
Cl      13.48849998      10.55280001       4.49710998       0.61756153       0.04188752       0.74807589
Cl       2.62928000      12.60840000       9.27836001       0.01414802       0.19421373       0.53844853
Cl       7.89576004       9.30679994       5.44967998      -1.33338451       0.67986138      -0.58956809
Cl      11.34749994       8.64844995       7.40626002       1.20630774       0.47315600       0.10016524
Cl      13.51160001      10.99350003       0.63186901       2.64948813      -3.73189531      -4.04134672
Cl      11.01499993       6.84577006      11.38899998      -0.33994036       0.06834520      -0.03257154
Cl       7.21996005      13.44770000       1.34574996      -0.25521452       0.81389763       0.92237790
Cl      12.41589999       5.85755003       4.65684996       0.70531355       0.39741505       0.17694981
Cl      11.89710002       0.80567293       5.17048000       0.66675940      -0.64276415       0.87578990
Cl       4.89593006      13.10030000       5.57867999       0.09340387      -0.08539463      -0.06382286
Cl       6.33765996       4.15259005       2.77427000      -0.26479091      -0.49355558       0.30100319
K        1.28895006       2.27301006       0.81421597      -0.11721021      -0.28607843       0.05956098
K        0.75497095       8.26573000       6.08759007      -1.02228201      -0.53233664       0.19475171
K        7.27927995      10.96720005       0.40802105      -0.56249977       0.37536236      -0.75889065
K        1.35957000       2.03936003       9.75299995       0.12289028      -0.96600274       0.20874728
K        8.65038000      11.36859999       3.65539997      -0.24489337       0.80025099       0.04176770
K        9.58099999       7.37852000       5.73870998       1.16173730      -1.74247343      -0.13454040
K       10.45559998       2.44604000       3.63083996      -0.25172536       0.14636538      -1.67381923
K       11.15940000       7.89433006       0.35161894      -0.48771884       0.15687974       0.03869419
K        5.43875997       7.63719997       5.26167998       0.43640914      -0.89370610      -0.49743726
K        8.38548994       1.31124004      10.83219999      -0.71516425       0.20104304      -0.11117674
K        4.83334001       1.49748000       3.11472998      -0.07853481       0.09864403      -0.49213336
K       11.58240005      11.86340001       7.15741997      -0.26227222       0.22008064      -0.49364271
K       12.67780001      12.36170005       2.23367997      -1.57082267       4.11959118       4.12244033
K        4.22686996       7.85919001       8.97432995      -0.28009364       0.15336952       0.07008568
K        1.87793997      12.07880005       6.72333005      -0.02616048       0.18457995      -1.09999595
K        7.29234005       1.81673999       5.83353000       0.53392764       0.18173696      -0.40083722
K        9.42742002       9.54520999       9.15421004       0.58859879       1.29070224       0.87318811
K        7.71589000       6.57399998       2.82384000       0.05778631       0.15347060      -0.12107885
K        4.10611995      11.40649994      12.35050007      -0.35738119       0.57094663       0.01266899
K       13.34989998       8.14731994       2.76820993      -0.10856223       0.10663538      -0.01819623
K        4.20270003       2.88628001      11.84699996       0.31870318       0.19245072       0.16421642
K        3.23398999      11.60919996       2.99947996      -0.17107442       0.14390795       0.02390545
K       12.60480005      12.28729998      12.03790000       0.63280920      -0.17132848       0.43660495
K       10.12180007       3.52802005      13.08910002       0.35200149      -0.04626299       0.33573753
K       13.54319998       5.34141996      10.37750003      -2.25620510      -0.93834900      -0.20654024
K        7.50477001       7.18674000      11.80719996       0.43568623      -0.24134435       0.04365191
K        0.70726397       2.76408996       4.27081993      -0.40949309       0.88377858       0.31465398
K       12.29110007       3.90167006       7.17475999      -0.43063656      -0.12453002      -0.43118558
K        5.91916005      10.55690002       7.17566005       0.29653946       0.64838561       0.25117881
K        8.50270001       4.92865995       8.83620000       0.15625079       0.57691234      -0.15003100
K        3.21148004       6.96794001      12.85369998       0.44170820       0.02875961       0.47056003
K        5.40442005       0.70566000       8.20548995      -0.37527653      -0.05269943       0.11081005
64
Lattice="13.76443408 0.0 0.0 0.0 13.76443408 0.0 0.0 0.0 13.76443408" Properties=species:S:1:pos:R:3:forces:R:3 energy=-636.49066016 stress="-0.011543721534748787 -0.001174610655010252 0.003988217745188059 -0.001174610655010252 -0.0090547071101039 0.0018844495923879107 0.003988217745188059 0.0018844495923879107 -0.006247788982841211" free_energy=-636.49066016 pbc="T T T" config_type=melt 
Cl      10.11560002      11.20540005      12.87340005      -0.98903648      -0.87283723      -0.57124075
Cl       1.24262998       3.75860006      12.13630001       0.93766646       1.10810737      -0.12386995
Cl       0.26398395      10.91519994      13.60230006      -0.07094626       0.10212974      -0.04994332
Cl       5.42523999       5.92111997       7.46022995      -0.27756989      -1.00452633       0.07966042
Cl       8.38351997       1.73652995       6.98046000       0.32335115      -0.48236908      -0.32260689
Cl       0.39485000       7.47317994       7.56285000       0.81283181       0.00528685      -0.17427778
Cl      13.29229995       5.81122996       2.44501001       1.18470641       0.13845635      -0.46627724
Cl       2.14887000       3.73707001       3.76433005       0.06464663       0.28749201       0.16910581
Cl      10.09850005      10.74049996       3.77436006      -0.16328582       0.32342779      -0.82711284
Cl      12.40940001      11.15210003       7.11617002      -1.89798965       0.92019560       1.01020387
Cl      10.89680006       4.34456000       9.19117002      -0.56117506      -1.76333744       0.61455315
Cl       8.91454000       4.31485002       2.18429002       0.05327141       0.20576502      -0.37432377
Cl      13.35120003       0.94446399       4.69736006       0.28865584      -0.62958643       2.03911536
Cl       5.81820000      12.98440002      10.37340002      -1.37092594       2.97363208       0.87381029
Cl       4.93072999       9.99159004      12.04820006       0.67497056      -0.38196752      -0.88055104
Cl       0.45621900      10.05429997       3.71478002       0.18746425      -0.12837455      -0.95042901
Cl       5.60572999       3.29045004       1.32113007       0.45917014      -0.18656445      -0.65861258
Cl       9.60579002       0.93546205       2.64425006       0.16536507      -0.52679769      -0.18413061
Cl       5.72723002      11.81169997       2.87108999       0.02625129       0.07170557      -0.22965196
Cl       4.89317001       1.90624005       6.51839001      -0.72562413       0.83727733      -0.57655600
Cl       8.13835998       8.40921996       9.48892997       0.60748663      -0.34864523       0.51454746
Cl       9.28745004       8.12938007       0.20592006       0.15285732      -0.06122612      -0.06076039
Cl       9.73070005       6.69966004       5.44156007      -1.07485271      -0.22455765       1.48609908
Cl       1.29193997      13.71491391       9.92580003      -0.14520467      -0.00667216       0.02495545
Cl      12.24049994       1.24755999      13.58020002      -0.86221419       0.27695251       0.94868559
Cl       5.04493006       6.54112996       3.44583000      -0.50259603      -0.05687646       0.03948023
Cl       7.39887994      11.30230001       6.92651003       0.78912227      -0.77244215      -0.04597253
Cl      12.52999999       6.70992005      11.91400000       0.15756983       0.76138270      -0.41384818
Cl       3.63999000      13.62809998      13.63900003      -0.24181460       0.34148098       0.15130892
Cl       4.60143999       6.10764994      12.03849999      -1.10557008      -0.45307079       0.13239155
Cl       7.32111006       2.96403007      12.11619995       0.37662863       0.20640830      -0.70231829
Cl       3.36014006      10.75920004       6.68270005       2.84744799      -0.16410607       1.64446967
K        7.92435001       3.89519995       8.83558005      -0.27776754       0.15959716       0.16363381
K       12.47410001       8.37261000       0.68298200       0.09339062       0.26128281       0.21858746
K       12.21780005       3.93923995      12.11430004      -0.57152290      -0.04422626      -0.22055316
K        2.03994006       6.95041995       4.46709003      -0.11855327      -0.14048779      -0.02495384
K        3.47000998       5.05052998       1.02011001      -0.44115009       0.55726587       0.20367973
K        3.59429002      10.63479998       0.49473602      -0.66011415       0.47397936       0.64091308
K       10.55940006       8.84467999      10.94100000       0.15160305       0.09941262       0.65066601
K       10.77889997       6.22533007       3.14712994      -0.22507534       0.04707112      -1.16558697
K        9.56414999       1.73068998      13.70479994      -0.75452578       0.78422087       0.22382712
K        2.51198004       3.58106997       7.39517001       0.33520389      -0.09269041      -0.28811723
K        1.79076994       6.94580996      10.77820005       0.13273078      -0.15268836       0.07689449
K        0.86028704       1.16977002      12.64310001       2.03858874      -1.48135929      -0.56706971
K       12.80159994      12.92710006       2.83233004      -0.64582348      -1.37410237      -0.90909567
K       11.12789995       0.17443406       6.94465004       0.18075374       0.13713390      -0.15654566
K       13.24659997       2.81708001       2.95035001      -0.28244870       1.37389944      -1.14242422
K        2.89741998      11.77460000       4.35763002       0.13900300       0.77607994      -1.56107634
K        4.28067995       2.68656000      12.45450000      -0.14605811       0.31863810      -0.51339199
K        5.91867004      13.44510004       7.58650996      -0.05597404       0.36734084       0.03675590
K        8.26122999      13.01369996       4.47356000      -0.36737612      -0.18858501       0.43830320
K       10.47980006       9.28430005       6.10449995      -0.03804310       0.39505694       0.33736662
K       11.80559999       6.65983994       8.72253000       0.03462750       1.15853599      -0.32196881
K        3.59177993      11.59420003       9.55330003      -0.89353304      -0.16723209       0.37453372
K        4.54105005       2.19008994       3.50071003      -0.26445111      -0.62589415       0.90193566
K        7.51593998       4.44265995       4.70825998      -0.23637977      -0.05460480       0.37517676
K        0.92218694      10.35850002       6.35897006      -1.00939784      -1.16869179       0.37795748
K        8.38477997      11.59010001       1.07031001      -0.48869355      -0.28011146       1.27074482
K        6.46244007       8.42267001       7.30693999      -0.29382968       0.54591401      -0.74560896
K        7.35053002       7.61730995       2.29518002       0.26474304      -0.02802521       0.16382204
K       11.93870000      12.69079996      11.99670002       2.06308113       0.58220927      -1.02549953
K        7.20827997       6.85777994      12.17020002       0.46026775       0.10053432      -0.18106011
K        7.41595995      11.19170003      10.18660000       2.00342062      -2.36980107      -0.05263289
K        6.42052998       0.68883601      13.52450004      -0.24735443      -0.46541538       0.30488349
64
Lattice="13.76443408 0.0 0.0 0.0 13.76443408 0.0 0.0 0.0 13.76443408" Properties=species:S:1:pos:R:3:forces:R:3 energy=-636.31136766 stress="-0.01065961279691643 -0.0013065110630279895 0.003513231460829465 -0.0013065110630279895 -0.0011921594568308409 0.002156045329306555 0.003513231460829465 0.002156045329306555 -0.01049748316861721" free_energy=-636.31136766 pbc="T T T" config_type=melt 
Cl      10.26060007       7.93127999      10.40340002      -0.49039050       0.30997006      -0.48648581
Cl       4.02080000      13.17096509       1.23559003      -0.42880760       0.27157200       0.27086701
Cl       7.35190000      11.79440000       1.28582003       0.39236125      -0.56439268       0.26314448
Cl      12.62749995       1.87767995       4.39199995      -1.21958151      -0.75956378       1.58103134
Cl       2.27853001       3.14225994       0.86235804       1.21432585      -0.16406168      -0.76994362
Cl       9.82250002       3.28925997       6.43435002       0.06666394       0.56389357       0.27054553
Cl       2.87930998       0.75439202       9.97365002      -0.51638921      -0.06216640      -1.87619500
Cl      12.05920005       4.67847003      10.50450006       1.05290972      -0.20970665      -1.19603576
Cl       5.70488994       4.92579007       7.37670998      -0.81750872       0.39673159       0.99945260
Cl      13.43969997       0.20791398       0.18162597       0.17216821       0.47989018       0.01674644
Cl       9.78299995       2.93371996      12.59950006       0.12165886      -0.28806245       0.33406166
Cl       9.43468998       7.41168995       1.63652996       0.04131758      -0.16400860      -0.35636213
Cl       9.30539005      11.62300004       5.53457007       0.31802148       0.30539631       0.46956048
Cl      12.49050006       8.49738006       7.73685006      -0.63416524      -1.25723005       0.07620988
Cl       8.66097999      12.29580007      11.93340000       0.38143425      -0.01321410      -0.67813064
Cl       2.08745998       7.39878001       4.57214996      -0.80699173      -0.60285608       0.16078120
Cl       2.64193997       9.09321006      13.72295207       0.05781978      -0.16429627       0.03841645
Cl       6.51183002      10.13110001       8.90790995      -3.52738234      -0.64998254       0.02225154
Cl       7.27466005       8.38602000       4.59971999       0.65269972      -0.28956423       0.28080747
Cl       5.13449000       5.46322006       2.86125999       0.26109492      -0.02094931      -0.11521208
Cl       2.92672997       9.17355003       9.02590005       0.27517317      -1.28421854       0.45709846
Cl       6.87769997       7.44942005      12.26760005       0.07526301       0.08010035       0.62868184
Cl      12.68331404      12.77329999       8.63102996      -0.07937512      -0.13792678      -0.15276888
Cl       1.69789002       2.82164003       5.99782999       0.72821841       0.50850058      -0.89698232
Cl       6.01686001       1.82984001      12.13250006      -1.98783587       1.36119977      -2.29992019
Cl      13.51730000      10.76069995       4.32110004       1.89109538       0.21254835      -1.90550649
Cl       7.48678994       1.74862999       2.81935004       1.03375761       0.52911832       0.63847680
Cl      11.88289995      10.49510005       0.80985594       0.12123945       0.68528716       0.43261044
Cl       2.67611995       5.39047998      10.54909999      -0.05797709       0.03705401      -1.32225351
Cl      13.50279999       5.40368998       1.29153997      -0.23307600       0.51817558       0.23589012
Cl       3.41842996      11.05589999       4.59661005      -0.10996267       0.49239019       0.45234387
Cl       5.23548006       0.43933995       6.73436004      -0.27728673      -0.52406603      -0.69367129
K        1.43513000      11.70510007       2.34244006       0.68667451       0.12156802      -1.19249882
K        9.10140004       9.98411994       3.22119994       0.19272574       0.07800280      -1.00918496
K        4.66108004       8.57565000       5.00065001      -0.66269955      -0.39455462       0.12863313
K        2.82167994       5.52755998      13.19000006       0.18899320       0.63125419       1.12975369
K        0.12406586       1.63757000       7.76688007      -0.69833925      -0.39191481       0.91987915
K        4.79552993       1.86087000       3.02193993      -0.73519819       0.06519807      -0.11723003
K        5.46924998       7.32598005       9.87663003      -0.54278438      -0.37381242      -0.68869174
K        6.14174004       8.34563006       1.37076998       0.17966084       0.00796836       0.24602785
K       10.75029996       0.29531001      10.65969997      -0.07102873       0.23071534       0.26964446
K        8.85283996      10.55810001       9.00123997       3.59278173       0.62034714       0.35310311
K       10.08460003       0.69385700       5.08131001      -0.46507779       0.28123879       0.03617716
K        5.27723007      10.29690005      12.04479997       0.11380062       0.20785543       0.31000477
K       10.19180006       9.83174999      12.56330001      -0.94816622       0.01313851       0.23017032
K        3.13472997       0.98342105      12.51709996       0.13032053       0.19496487       1.99909857
K       13.05930002       8.09974001      10.34810003       1.06509740      -0.22542453       0.78788339
K        2.32395002       0.07723898       4.99407997       0.34494966      -0.22800004       0.18256550
K        2.74843994       5.34542995       6.83880002       0.35725699       0.17195589       0.27037774
K        0.33325594       2.53668995       2.48444002       0.47841757       0.09235729      -1.27459128
K        2.82445995      11.79779996       9.02108002       0.05206516       1.30345232      -0.12342433
K       13.54379997       8.49749003       1.70912001       0.61683527      -0.43059278       0.20226051
K       10.76200000       5.75942999       8.26891000      -0.37438630      -0.03535553      -0.44818782
K        7.01336003       4.42374995       0.71564404       0.18873337       0.08487840      -0.07179798
K        7.34360004       5.01857997       5.32201995       0.73641185       0.00540897      -1.27824953
K        7.49086999       1.11011000       0.13856587       1.88490289      -1.93353257       1.31948136
K        5.20150999       2.33946997       8.72947994      -0.04097634       0.22815259       0.83402311
K       13.03999994       3.66217001      12.88389997       0.31760097      -1.00478069       0.20502530
K       10.91849996      13.43900005       1.35934000      -0.36563688      -0.29103837      -0.11850118
K       10.42389994       5.79535998      12.24319997      -1.24524048       0.33002275       1.44177539
K       13.17360001       5.38451998       4.20253995       0.08565161      -0.10779538       0.15647138
K       11.87599997      10.41369994       6.02110000      -2.53257918       0.59812665       1.89774787
K        1.22411999       9.05017005       6.85924007       0.57878730       0.44701931      -1.10866103
K        6.59874994      11.57779998       6.28951005      -0.78004620       0.10761419      -0.36859490
64
Lattice="13.76443408 0.0 0.0 0.0 13.76443408 0.0 0.0 0.0 13.76443408" Properties=species:S:1:pos:R:3:forces:R:3 energy=-636.05016545 stress="-0.0077730191093298975 0.0008259297400927348 -0.002827987477271769 0.0008259297400927348 -0.01065425616526385 0.003452888494426844 -0.002827987477271769 0.003452888494426844 -0.002709195336923993" free_energy=-636.05016545 pbc="T T T" config_type=melt 
Cl       1.77669994       4.06720005       6.19214003      -0.01093773      -0.55226356       0.46829732
Cl      10.01210001       2.67918997       3.16036995       0.98719510      -0.67700654       0.65103183
Cl       6.22010000      12.95189999      11.84220003      -1.47172142      -2.99081094       0.14775587
Cl       0.06316967       6.84416994       4.08464000       0.05326003      -0.09907984      -0.43165764
Cl       9.73322005       8.46241000       0.69649606       0.18560136       0.43730093      -0.42429344
Cl       4.40283999       8.07098005       5.37058005       1.09475363      -2.87072071      -0.34320820
Cl      12.42439994       1.92134996       9.83125998      -0.16281295       0.00186162       0.55560482
Cl       0.70423194       8.30909003       0.25489502      -0.44021177       0.23701993      -1.04059967
Cl       2.17882003       6.43023996       8.78205994      -0.56581544       0.42992844       0.12439558
Cl      13.23459999      13.55900004       6.58605005      -0.37473401      -0.16372772       0.02043206
Cl       3.71330007       5.10528999       1.31517998       0.20425868       0.11297814       0.02981869
Cl       4.57174997      13.68860003       6.92219006      -0.65540435      -0.90442380      -0.12115515
Cl       9.00056000       8.18487001       6.63507002       0.52854064       0.29075395       0.44738692
Cl       9.44356006       3.81731996       6.96551004      -0.22176744      -0.88294014      -0.42767699
Cl       8.56151007       3.92080001      12.01849999       0.60560666       0.54098583       0.41135794
Cl       8.30185999      11.41830006       5.08779994       0.11569209       0.18439459      -0.97103678
Cl       2.43289001      11.42420004       3.05448002       0.80607509      -0.52265728       0.12438611
Cl      11.89450006      10.44879994       3.88427003       1.14145734       1.10180222       0.10020279
Cl       0.59646399       2.38264006       2.77768000      -0.02214821      -0.58752202      -0.03245071
Cl       8.23551996       1.24613000       0.29799201      -0.43967377       0.95107778      -0.40386151
Cl       4.58726001       7.99863996      12.12299999      -2.47413960       1.62722796       0.36393538
Cl       6.01017999       2.70527000       4.32784007       0.01388831       0.14341752      -0.72351572
Cl       7.98828994      13.22169997       8.15660006       1.19462219       0.73778583       0.87139847
Cl       4.68839006       2.98251997      10.21010001      -0.08117945       0.35144121       0.09265262
Cl       7.63905004       7.05491994       3.01815003      -0.22016161      -0.93718987       0.19505221
Cl      13.49330006       5.66600995      12.03180002      -0.68357817      -0.63268014      -0.46885406
Cl      12.77509996      10.54220002      10.01119995      -0.01150530      -0.08829733       0.52048536
Cl       1.88738003      13.25920007      12.58920000       1.03488613      -1.23091643      -0.56468279
Cl       4.47211997       9.82224001       9.56908000       0.00181035       0.17196478      -0.88435364
Cl       8.48502001       7.42859006      10.65089996       0.12627592      -0.09526902      -0.30851180
Cl       5.65520005      11.48300005       1.00714997      -0.79943729       0.98259585      -0.75261436
Cl      11.80899994      13.17990000       0.50881304      -0.54989892      -0.84516445      -0.06752682
K        0.92189706       4.90604994       1.64494994      -0.55456341       0.58668459       0.11126794
K       10.19460002       5.94604007       8.34282996       0.26588034       0.92526715       1.10366157
K       12.11319999      10.21329997      13.41530004      -0.15447600      -0.20060122      -0.04400744
K        2.27830000       0.97550994       5.59132000      -0.50627523       0.19968837      -0.11972471
K        1.53296994       8.81520001      10.07950003      -0.01574135       0.34966039       0.35029386
K        6.89159998       9.67313003      11.52449996      -0.04777886       0.80517448       0.31082898
K        7.30959997      10.70419998       7.60083006      -0.47465552      -1.03152972      -0.11313072
K        6.20275007       6.18180996      12.23880004       2.24630986      -2.75212837       0.31611883
K        3.92671996       4.63487999       4.47520994       0.05382874       0.57891467      -0.38108636
K        4.78811999       6.87358000       8.63010994       0.83105425       0.23682286      -0.08463968
K       10.32930001       1.25144005       5.88844004       0.22944323      -0.38190571      -0.08688484
K       11.11560005      12.99690006       9.32538000       0.18043559       0.57696274      -0.06969067
K        7.29700000       1.30224003      11.43669994       0.88806262       2.85545557      -1.48264257
K        9.15588999      13.31920006       1.96527998       0.52721196      -1.24723071       1.56872297
K        9.99508001       8.68798003       3.65192996      -0.71102987      -0.76133315       0.24520368
K       11.09430001       1.75595996      13.00810004      -0.84736874       0.92988031      -0.74243403
K        2.30714998       5.68259995      12.51979999       1.57863768       0.35590788      -0.19357311
K        7.66068003       5.83807006       5.96220006      -0.58796239      -0.13687795      -0.95592193
K        2.88299004      10.49380000      13.63590001       0.47664431       0.40449834      -0.02346359
K        5.32106002       0.78052393       1.18855998      -0.03642079      -0.25520995      -0.12225369
K        4.07832006      12.72210001       9.59754994       0.03691217       0.54733565       0.60340670
K       13.03560000       4.22820002       4.91051994      -0.46930103      -0.31125316      -0.03175164
K        6.74253997       1.52503997       6.71167006       0.42119237       0.49396129       0.39453358
K        0.23640705       1.00986996       0.02751744       0.05539430       1.36824327       0.44137063
K       11.02090006       6.19956002      13.14550006      -0.84547815       0.18001997      -0.16051041
K        6.84669998       9.78052001       2.48095996       0.79249461      -1.00871816       1.22887722
K        1.04444003       4.04276005       9.33333997      -0.27777586      -1.08898486      -0.04578302
K        2.19705006       8.13519003       2.44043994       0.73377612       0.05724169       1.39606826
K        3.55860999      10.32120006       5.74357006      -0.98769131       2.87232934       0.42075017
K       13.73540007      12.29470002       2.42634998      -0.57008399       0.10898263       0.69630291
K        8.50331005       4.10990998       1.51387000      -0.99665696       0.60109970      -0.39941589
K       11.80480000      10.39470007       7.37277996      -0.14281479      -0.08022471      -1.28868772
64
Lattice="13.76443408 0.0 0.0 0.0 13.76443408 0.0 0.0 0.0 13.76443408" Properties=species:S:1:pos:R:3:forces:R:3 energy=-634.31081466 stress="-0.012512314516229897 -0.0014358257074375106 0.0028976494537049733 -0.0014358257074375106 -0.005290645144832711 -0.002938103670274203 0.0028976494537049733 -0.002938103670274203 -0.0061725752339726065" free_energy=-634.31081466 pbc="T T T" config_type=melt 
Cl       2.52528006       8.94111995       2.13993000      -3.10249538       0.26407968       0.87998688
Cl       3.83740007       0.55828503       8.62248995       1.08872318       0.89970312      -0.42328565
Cl      13.07610006      10.60459998       8.14975996      -3.26610158       3.45709388       1.04645257
Cl       0.69365095      12.26729998      12.55849994      -0.04652383       0.03873521       0.07858192
Cl       6.92745000       7.62327999       3.65340000       0.51603537       0.77856236       0.01965442
Cl       2.21327998       2.76978004      11.84599998       0.03014003      -0.39729466      -1.81416752
Cl      13.15850002       7.91206993      10.64900005      -0.99369734      -0.12961297      -0.17866334
Cl       4.79128994       5.31619994       0.66644898       0.25328945      -0.01222870       0.51250648
Cl       4.76131004      12.09670001      13.09899995       0.48858951      -0.44676340      -0.00561410
Cl       1.23132002       1.71941993       2.40186002      -0.06733705       0.34255765       0.29869364
Cl      11.60520001       9.79855004       5.20223001      -1.04424270      -0.24542936       0.25923179
Cl       9.93377996       6.07228993      13.07140005       0.33534729       0.22672211       0.07703617
Cl      12.43840002       1.10502005       8.76766000       0.09827966       0.05485116      -0.20320177
Cl       9.89835003      10.30910002       1.67901994       0.50010015       0.18081526      -0.09798278
Cl       0.74406594       5.72801997       6.26117004      -0.08018643       1.27966698       1.02577791
Cl       7.68128002       2.57382997       2.19793002       0.61617728      -0.02542222      -0.08749164
Cl       7.63996001       8.00937994       9.23790000       1.15242540      -0.05725528       0.15941845
Cl       3.83530003       2.54654997       5.24250006      -0.34749441       0.43624880       0.59568101
Cl       0.11825493      12.11120002       4.43528001      -1.29294263      -0.80375976      -0.23713354
Cl      11.40660001       5.07373998       9.11410998       0.07028303       0.13424070      -0.41478644
Cl       3.13486996      10.65359999       7.57389995       1.86915345      -0.02222485      -0.36384172
Cl       7.79140003       3.35054006      11.08609998      -5.27254718      -1.03491318      -0.64417716
Cl      10.54850000       1.26014000       4.42766002       0.33008222       0.07832881       0.45028763
Cl      13.13470007       6.24023998       2.91121002      -0.50810703      -0.48571078       0.81460433
Cl       9.34453996       5.81500004       5.48737994       0.11712616      -0.52401344       0.44391461
Cl       6.80204004       8.22889995      13.27000005       1.40091816       1.51661691       0.24108673
Cl       9.45832998      12.08040003      10.05799999      -0.45733866      -0.12684062      -0.41854201
Cl       2.41773000       6.82814002      12.20089994      -0.50371816      -0.04255571       0.29800815
Cl       7.37076994       0.40212202       6.17664004       0.58118795      -0.18454432      -1.89609624
Cl       5.24677998      11.10820002       3.41159000      -0.24799166       0.58729804       0.70559732
Cl       4.08800994       7.12067003       8.98498995       0.14486611      -0.23610543      -0.40138602
Cl      11.70160005       2.33141998      13.18950000      -0.03434434      -0.30790193       0.45221349
K        6.46532000       6.42547003      11.51640000      -0.55558044      -1.69067902      -1.16492553
K        0.99209994       9.08235006       7.79292004       2.89992227      -4.17866557      -0.54589816
K        7.71936001       5.08604002       1.05077002       0.14355050       0.63341067      -0.46919578
K        1.01273999       3.36721994       5.21054001      -0.15995408      -1.27244408      -1.17406216
K        6.85977000       0.56356906       8.63005007      -0.09831508       0.51429613       2.36048170
K       10.05159994       3.66651999      11.25950005       4.85228391       1.06125910       0.35916956
K       11.82630004       3.02701006       2.46114000      -0.00915708      -0.08739955      -0.33443235
K        3.53421005       0.16930598      11.39480004      -0.10142600       0.10868089       0.80484658
K        0.18260504       8.73947002       4.25867998       1.19577894      -0.03166183      -0.17546018
K       10.12569994      12.16700007       4.01181004       0.15883666      -0.03349997      -0.27970558
K        7.06231998      11.06330002       1.31768001       0.10783595      -0.17405398      -0.67371760
K       10.85259998      12.56310001       7.24913996       0.47445367       0.00359013       0.39704096
K        5.54099998       1.50603996       3.36312997      -0.02161767      -0.87943172      -0.17662257
K        2.30384996       3.89576994       0.39276606       0.07029495       0.65340692       1.28333722
K       13.70239998       1.08677998      11.56360004      -0.32282885       0.03395560      -0.19028483
K        5.91156002      11.73530007       6.24994996      -0.52219399      -0.55154737      -0.35123898
K        4.79105993       8.67520003       1.13921999       0.85014503      -0.24883566      -0.06527849
K        5.44666998       5.44121004       3.67464004      -0.73565445      -0.96713760      -0.23507472
K        1.75735003      12.73569996       8.40645000      -2.25401532       0.05382900       0.11511838
K       13.61100001      10.86630000       1.39909994       0.22496649       0.41026775       0.23934461
K        9.94704007      13.66379996      12.34130006       0.05114407       0.29100432       0.30296568
K       11.72120005       7.05726004       6.81441000      -0.11973120       0.06762842       0.39029180
K        6.79943003       6.91511996       6.86351998      -0.14915769      -0.14978405      -0.42814821
K        3.17644006       3.60330999       7.99015997       0.29024034       0.23002866       0.37008743
K       10.17389996       8.58670999      11.13399994      -0.16305729      -0.18603874       0.01278434
K        1.19797995       9.65474006      11.55440003       1.02841965       0.04655549       0.12661866
K        5.80419000       9.86128998       9.85297998      -0.87354633       0.26966286       0.57067881
K        0.45749304       5.40408998       9.93695005       0.41391768      -0.09091167       0.24207505
K        2.37702004      13.30650003       4.41999006       1.38997088       0.60686981      -0.39062007
K       13.65009995       6.77020001       0.34104496       0.26491264       0.23099606      -1.31356121
K       10.35630005       7.61759005       3.52817999      -0.47622537       0.31774189      -0.65868776
K       10.70390005       3.21257996       6.92460998      -0.18186881      -0.18403696      -0.12029018
64
Lattice="13.76443408 0.0 0.0 0.0 13.76443408 0.0 0.0 0.0 13.76443408" Properties=species:S:1:pos:R:3:forces:R:3 energy=-636.00833749 stress="-0.0035627394607404823 -0.001254575409417933 -0.004074875294797462 -0.001254575409417933 -0.014001677242549363 -0.00015826465491263273 -0.004074875294797462 -0.00015826465491263273 -0.006382158275967274" free_energy=-636.00833749 pbc="T T T" config_type=melt 
Cl       7.51830003      10.84000002       6.40767001       0.46155256      -1.47498339      -0.74273156
Cl       6.14438997       1.54993006       9.15281997      -0.41784007       0.44381129       0.00503267
Cl       1.86577000      12.46560006       4.21190004       0.17657204       0.59666460       0.63517985
Cl      11.12090005       3.63782995      11.61409996       0.38184159      -0.61677148      -0.15718574
Cl       8.77810005      11.37039996      10.73060002      -0.81471940       1.11973492      -0.41726089
Cl       0.32198205       3.49401997       0.57303404      -0.16545538      -0.49884747      -1.17652857
Cl      11.97459998      11.52580001      10.55220002       0.96154634      -2.14860181      -0.77575907
Cl       6.37490005       6.60831003       5.25794004      -0.24795677      -0.20049736      -1.07097617
Cl      11.45720000       9.65296995       6.53109004       0.37822429      -0.04612257      -0.05910697
Cl       4.16643996       0.54270204      13.46680104      -0.76722525      -0.19819315       1.07463863
Cl       7.69512002       2.61155994       4.40250001       0.91207793      -0.17073895       0.46325596
Cl      10.60799993       5.74497004       3.48632001       0.28753274      -0.79786805      -0.26986781
Cl       7.84914995       3.36876004      13.75960001       0.21017403       0.06806630      -0.59637701
Cl       0.67974997       7.21746002       3.19202003       0.47990751       0.09902334       0.42689033
Cl       0.49946093       0.60085705       8.47396001      -0.01250157       0.00378382       0.61686430
Cl       7.89943996       8.32359004      11.87340001       0.18423836      -0.47568398       0.90659576
Cl       8.96205001       9.31293007       2.40988001       0.11654519       0.89493716      -1.20561557
Cl       7.01296994       6.77181004       8.81884002      -1.09253789      -1.57634569      -0.32317176
Cl       4.83940999       6.30403001       1.11596003      -1.08308029      -1.15454703      -0.97040280
Cl       3.62890000       3.77402999      10.56020005      -2.35023358      -1.59910004      -2.36833624
Cl       5.32989004      10.99849996       1.20092003      -0.53635871      -0.31685875       0.76312833
Cl       1.95709000       7.30698995      11.12470000       0.45669449      -0.19094306      -0.79761693
Cl       1.44938004       3.50951996       5.50136007      -0.95547985       1.25451252      -0.51031121
Cl       1.88672993       8.90727004       6.98523006       0.20214485      -0.89867155      -0.33199822
Cl      13.43009997      11.87160003       1.98100997      -0.26529305       0.04975978      -0.65682680
Cl       5.17642004       0.45878703       5.32860004      -0.63986029       0.14418872      -0.41320634
Cl      13.35459998       7.95115996      13.32810001      -0.64436476      -0.07112333      -0.75502330
Cl       8.79463994      13.41240001       0.94873798       0.10382862       0.41951560      -1.71084244
Cl      10.50559998       0.63799405       8.16264003       0.35370221       0.98556538      -0.16844352
Cl       4.34603995      11.41190001       9.63689998      -0.10723471       0.12570533      -0.13168632
Cl      10.55280001       5.73082997       7.57810994       1.07629112      -0.08055244       0.06168248
Cl      12.42549999       2.04891998       3.26134997      -0.16221714      -1.20950033       0.43029331
K        8.07001998       9.12032999       9.20089997       0.49990702       0.85994468      -0.48043450
K        6.47739003       4.00470002       2.38155996      -0.44098280       0.50846056       0.02263272
K       10.36389995       2.01991996       1.15912997      -0.08818753       0.53340789      -0.10627870
K        2.60032995       1.62104002       6.84327993       1.48685915      -1.05686276       0.12435841
K        6.25394000      12.85670007       7.47784994      -0.57817634       0.97851858       1.04198654
K        9.83540996       5.99905998      12.71130002      -0.24344145       0.14227387       0.19706997
K        1.20390994       1.14708004       1.63486997      -0.04095669      -0.44363448       0.83691307
K        6.38807000       7.93782002       2.39155005       0.69208784       1.11077481       0.49079694
K        5.12674998       4.65211004       7.93876000      -0.05124590      -0.31479976      -0.04894368
K        5.99670007      10.85749998      12.28829997       0.40701412      -0.12199360      -0.87468928
K       13.76370002       6.61611006       6.23526001      -0.30594060       0.09198471      -0.12949383
K        2.13817999       9.64066001       4.01100000      -0.06158729      -0.14328975      -0.07139190
K        5.12049005       8.49572998       6.69266000      -0.22927635       0.83437072       0.80675644
K       10.46450007      10.23919995      12.52450000      -0.17657790      -0.49210294       1.03973026
K        1.96851999      11.50620001       7.69034995       0.13611946       0.87652677       0.29835769
K        1.67225995       5.68414005      13.39200001       0.28689300       0.84313986       0.40044075
K        8.36814000       2.41092996      10.75809999       0.23286165      -0.05488642       0.13475839
K        9.70631994       8.07047999       4.59108005       0.07037132      -0.03752386       1.76590874
K        9.90711000      11.76140005       7.80751997       0.10802906      -0.53960866       0.38721957
K       13.36650002       4.59898001       2.96015001      -0.03391901       0.73481007       0.58231331
K        3.42507006       1.24522995      11.16729996      -0.13642071      -1.07759975      -1.95092478
K        5.93707997       0.02297270       1.56016006       0.92684956       0.15183927       1.26573347
K        4.74716006       5.49331998      11.71400002       2.23243701       3.52909916       2.15897854
K        8.19313995       4.96450006       6.45780999       0.07831969      -0.60151326      -0.09923192
K       11.94739995       0.17430495      11.03119999      -0.32605519       2.32510249       0.01586916
K       13.10610006       0.05218648       5.72343999       0.08111514      -0.23882079      -0.35876555
K        2.40313998      12.15250006       0.82312802       0.24730759      -0.74431856       0.17398424
K        0.22296594       3.34664004      10.26710005      -0.20934786       0.31701133      -0.03506571
K        8.79343005      12.35139999       3.25807995      -0.09086554      -1.09448754       1.77750829
K       13.33439999       8.93699007      10.20489995       0.31964037      -0.31251425       0.05595493
K       12.58680003       8.94007000       1.96484998      -0.70406586       0.46280580       0.55114708
K       11.05020000       2.83537996       5.71168998      -0.56928013       0.49456748       0.25251496
64
Lattice="13.76443408 0.0 0.0 0.0 13.76443408 0.0 0.0 0.0 13.76443408" Properties=species:S:1:pos:R:3:forces:R:3 energy=-635.55958062 stress="-0.0025992168690619306 -0.0014936074892948532 -0.0008158431617528694 -0.0014936074892948532 -0.012327987023139567 0.0030442865703311606 -0.0008158431617528694 0.0030442865703311606 -0.002586243018532505" free_energy=-635.55958062 pbc="T T T" config_type=melt 
Cl       7.06304000       1.71415999       3.92178995      -0.71308177       0.56894012       0.33200117
Cl      10.46579998       8.19376995      13.59630000       1.21103289      -4.60046255       1.83537389
Cl       2.87041994       1.13318002       4.67489004      -0.20390109       0.04247648      -0.38453112
Cl       6.44043005       9.79314998       5.15848003      -0.34788467       0.30378224      -0.09186437
Cl      12.35740004       8.94050000       2.72863994      -0.84873640      -1.09757867       0.36612396
Cl       9.87099006      11.94880006       0.96793193      -0.45278219       0.57814443       0.56722686
Cl      10.24770004      11.42779999       4.60945997       0.72801338      -0.53494741       1.22456752
Cl      11.86980006       5.42923003       4.66927002      -0.17695561      -0.44302766      -0.04748607
Cl       5.39593001      13.40820007      12.76879998      -0.07258245      -0.75221003       0.00804093
Cl       0.29372697       4.92404006       1.40780994       0.19232193       0.28894070       0.08822783
Cl      10.34020007       3.30091996       0.15855197      -0.13983106       0.75466056       0.21267211
Cl      13.14329995       0.76676294       1.06061998      -1.78860014      -1.02947488      -0.34981283
Cl       6.38297000       3.02583995       0.35604902      -0.59931692      -2.25648816       0.66390363
Cl       3.08615997      11.98399999       1.63045998       0.53585923       0.22323670       0.29383065
Cl      13.68250005       4.93068002      10.40400001       0.38162416       1.39185031      -1.11899949
Cl       8.53812003       6.71481000       3.29789000      -0.16747273      -0.87666724      -0.62306564
Cl       1.12316998       9.84056997       0.08806595       0.91991731      -0.45005356      -0.78768356
Cl       0.69639998      10.30959994       8.91613007       0.07000697       0.13358606       0.01923497
Cl       2.09970000       2.60270996      12.13869998       0.28192716       0.10435146      -0.25643044
Cl       6.19343994       8.07077000       0.64250795      -0.46621972       0.09406865      -0.10202835
Cl      10.11739999       6.43166995       9.31293998       0.45875097       0.25251852      -0.35953319
Cl       6.67752999       5.53815997       6.56287997      -0.34936551      -0.25564282       0.43899017
Cl       3.61933000       0.65158298       8.01482006       0.12602725       0.12408369       0.34121289
Cl       6.11530999       4.59692994      10.33329996       0.25570093       0.23883155      -0.16657493
Cl      10.14670007      10.29779997       9.51115003       0.34940657      -0.44550874      -0.01979837
Cl       6.29891997      10.02529996       9.92606995      -0.31773808      -0.41815935       0.32669208
Cl      12.84090002       1.58489998       5.14092005       0.09983719      -0.30503018       0.46519461
Cl      11.58360003       1.52204001       8.85661995       1.47179775      -1.45912128      -0.11329892
Cl       1.41387001       8.48376001       5.31272001      -0.02765725       0.06249446       0.19564523
Cl       2.70895005       4.70948006       7.38875000      -0.40919530      -0.30793356       0.27323453
Cl       3.79659994       4.64916004       2.63691994      -0.08160635       0.18827845       0.13538965
Cl       8.20611995       0.34730998       9.62949003      -0.62741787       0.45475421      -0.22319448
K        1.56036997       1.95610007       1.34061004       1.64431580       0.99425518       0.22088843
K        4.72004000       1.18700006       1.48689005      -0.39402681      -0.46525161       0.67955903
K       12.59600004       9.54457999       6.80491997      -0.18764984       0.36303742      -0.32784587
K        3.23997999       5.07054993      10.43040006      -0.32861428      -0.26595545      -0.07878871
K        9.18860998       0.82504293      13.52909997      -0.26621834      -0.56196106      -0.38977477
K        1.37236005      11.49560002      11.41179994       0.05620278       0.56372422       0.30534557
K       12.99220005       3.96258002      12.73549996      -0.39894824      -1.08778911       0.83738141
K        7.46828999       7.32594000       9.13423000      -0.34725275       0.16215721       0.33171502
K        9.96747998      10.17509995      12.58930006      -1.33366991       4.32519699      -2.92982802
K       13.08309996       6.45559997       6.86866995       0.49065664      -0.17105634       0.53711581
K       11.13680004       1.97191003       2.84321000       0.23199815       0.28783817      -0.05958621
K        8.58002007      13.35840007       3.83315993       0.33527456      -0.88981413      -0.54277950
K        9.32627001       9.29410996       2.78393002       0.32381774       0.81479129      -0.60424514
K        0.82882595       2.83923001       8.79458007      -0.06261832      -0.40449532       0.09423576
K       10.14870004      12.47010006       7.80261997      -0.07192731       0.63839301      -0.06972182
K        5.51887999      12.61820001       9.21057003       0.48354299       0.02697750       0.48666582
K        6.66654006       4.54348993       3.81891994      -0.32167381       0.05655205      -0.51897369
K        3.81997003       6.76837003       5.86460995       0.23380586       0.31135455      -0.38249088
K        1.09295002       3.58043997       4.48775003       0.14623848       0.46504860      -0.20720380
K        5.35187005      10.50200003      12.88629994       0.15276229      -0.02607263      -0.13803604
K        0.92540506      13.76207100       7.07347000      -0.45819181      -0.03450088      -0.49641046
K        8.40772996       7.61103006       5.85311004       0.51084643       0.55584977       0.45542330
K        6.00113001       1.97629001      11.54630007      -0.02223346       0.23175472      -0.67601069
K        2.43832999       6.97356994       0.44624694       0.13727387      -0.48395318       0.78731464
K       13.40840006       8.23526999      12.29330004      -1.29800695      -0.76784527      -0.65613175
K        0.25050004      10.90270005       2.43554999       0.39808674       1.53255858       0.54868484
K        6.37026997       2.67788001       7.56415996      -0.28468436       0.07122160       0.03201553
K       10.16640000       3.66237001       8.88423003      -0.80891405       0.80109378       0.07589722
K        4.29199005      12.68899999       5.63860001       0.23668540      -0.29335000      -0.31150050
K        7.39652994       5.15249002      13.62459996       1.57632543       3.11275482      -0.64132870
K       11.21629997       6.25584995       1.86145995       0.26218443      -0.24409694       0.30229548
K        4.66294003       9.71517005       2.69282006       0.07273404      -0.19111004       0.19285781
64
Lattice="13.76443408 0.0 0.0 0.0 13.76443408 0.0 0.0 0.0 13.76443408" Properties=species:S:1:pos:R:3:forces:R:3 energy=-636.25992681 stress="-0.007709412326733661 -0.0029345882338816863 -0.0004679409562384248 -0.0029345882338816863 -0.0013840391073068892 -7.373029194560071e-05 -0.0004679409562384248 -7.373029194560071e-05 -0.006156646397121114" free_energy=-636.25992681 pbc="T T T" config_type=melt 
Cl      11.40509996       1.71712994       3.32878000       0.14705291      -0.14064660       0.01142307
Cl       5.54821998       4.38138000      11.43609995       0.92228839      -0.70057411      -0.03504766
Cl       8.23935005      10.55370007       3.69842994      -0.24029522      -0.12559139      -0.70408830
Cl      13.40399999       6.23476999       4.35271006       1.55599866       0.97041277       0.39237048
Cl       9.68284001      12.53829994      13.51539996      -0.27365440       0.45488729      -0.05751023
Cl       7.70433998      12.02450005       8.54936998       1.28479918      -1.25732844       1.58906543
Cl       5.94996004       1.90355998       7.84000004       0.65831414       0.24651644      -0.52356783
Cl       0.32446694       2.49855999       7.07072000       0.13387076      -0.02655899       0.28611278
Cl       2.16621002      13.42290007       9.98999997      -0.14401757      -0.47516784       0.05633251
Cl       6.92453001       9.60459994      11.51850004       4.11382568      -0.98396312       0.66925502
Cl       4.93470997       9.53173998       1.55711000      -0.04772627      -0.30695643       0.16395515
Cl       3.46481005       5.71769994       0.98323702       0.33076582      -0.02760402       0.21158989
Cl       9.27983996       4.32973006       5.21433996      -0.22644247      -0.09346478       0.22625258
Cl      10.56830000       7.61655001       6.36066997      -0.87729389      -0.02798407       0.24997344
Cl      12.00229994       7.81966998       9.50444001      -0.08652782      -0.15450793       0.76589244
Cl       7.10522000       3.92889006       1.79766000       0.79241880       0.83992568      -3.45475506
Cl      13.15389994      12.39150005      12.42350002       0.22412028      -0.32230810      -0.69214314
Cl       3.13618006      13.36180002       5.40986003       0.28092852       0.26227813       0.15704529
Cl      10.31449994       3.97149002      10.27870003      -0.12818166      -0.22053287       0.04462415
Cl      11.18179996      13.22300002       6.90402004       1.15837679      -1.91886764       0.24999901
Cl       0.83649701       9.56519003       7.09946000      -0.03065867       0.02310021      -0.21198412
Cl       5.24898999      13.63911510      11.73400001       0.70706259       0.11509436       0.19856166
Cl      12.48580005       4.65761003       0.75617204       1.53231641      -0.08658374      -0.99724295
Cl       1.44311998      11.18279995       2.62038005      -0.19773194       0.08718276       0.08462906
Cl       1.58486006       8.31181002      12.68729994       0.26351139      -0.36400012       1.05383068
Cl       6.05051997       7.27670999       9.18327007      -0.09050955      -0.31636484      -0.19156226
Cl       1.49949002       5.03615000       9.49401001       0.09469252       0.07072339      -0.40633905
Cl       1.37554996       2.24544003       0.98787605       0.88672571      -0.65205889      -0.55124617
Cl       6.36045001       0.80316588       3.36229007      -0.47830033      -1.38325841      -0.09410986
Cl       9.34387995       7.74372003      13.71672366       0.01873685      -0.12022710       0.15408178
Cl       4.00029994       5.58984996       4.90573997       0.17051732      -1.25607150      -1.27493475
Cl       5.63221001       9.78697002       6.98611994      -0.12185611       0.15296041      -0.69383614
K        6.74181995       3.30749000       4.06591995      -0.42495076       0.19920556       4.10498665
K       13.17209997       5.48562993       7.22959006      -0.20262750       0.46476665       0.25322765
K        4.18070997       7.28546004       6.86493001      -0.34197372       1.01658873       1.48289476
K       13.38490004       5.21808003      11.62659999      -0.47371406       0.23876697       0.08373891
K       10.22149999       4.90595001      13.22430007      -1.31487431       0.17812324      -0.59905009
K        7.01222997       7.11133995       3.79582005       0.16045665       0.14528833       0.17291406
K        5.39660006      12.68629996       7.69544995      -2.17530282       0.30524373      -0.55045697
K        1.63425002       4.33111999       2.73622001      -0.30725603       0.63212884       0.37403147
K       11.45489996       2.01063998       6.60579004      -0.48453163       1.77012183      -0.91889105
K        4.69825998      10.23890003      11.31859999      -3.73659919       0.89003827      -0.53572236
K       13.07050000       0.10672901       9.83307000       0.12615855      -0.05037924      -0.12866674
K        6.56141006       6.39888004       0.40486596      -0.51595515       0.33366565      -0.81643138
K        0.87346401       8.74197997      10.20810004      -0.09128133       0.36478215      -1.70112620
K       11.57779998       4.84536999       3.18397994      -1.89508441      -0.88663877       0.79640560
K        4.85871006      10.94339996       4.27881996      -0.17201187       0.36505702      -0.20055310
K       13.24329994       0.12926593       0.95328795      -0.46430174       0.02448717       0.86506037
K        3.02763001       5.20167998      11.89670003      -0.30275232       0.57844133       0.44446516
K        3.15440004      12.80050003      13.36160002      -1.04181944      -0.38479001       0.19865433
K        2.07412995       8.17032995       2.40376007       0.10211373       0.13636505      -0.40181459
K        8.53231006      10.08560002       6.34145000       0.26115699      -0.21092398       0.93805192
K       12.13880005       9.20040004       4.77593998       0.60216196       0.02911526      -0.11183831
K        0.37178301      12.33640006       5.70494995       0.28505001      -0.05447957      -0.01254770
K        3.99399996       1.74236001       9.78700994      -0.26392065       0.61874947       0.57264382
K       11.58100007       9.88717001      12.12969997      -0.31289913      -0.06893904       0.23208779
K        7.55750995      10.48049998       0.66867304       0.45616460      -0.02892106      -0.25152076
K        7.21609004       4.69581005       8.84361999       0.02457148      -0.47043183       0.07802453
K        2.85972002       2.69184995       5.94234005       0.56997790      -0.24830926       0.01015787
K        8.99083006       7.67997005       9.39516004       0.09904415       0.27258271       0.14482117
K        8.22166000       0.73582504      11.28840000      -0.16937518      -0.39385373       0.10607371
K        8.70328993       0.23917301       7.29870996      -0.69559438       1.72027928      -0.88037154
K        8.86690996       0.89080596       2.01841001       0.47338600      -0.20583061      -0.12938384
K        4.61893995       1.85303997       1.28213997      -0.10654321       0.45723936      -0.29649200
64
Lattice="13.76443408 0.0 0.0 0.0 13.76443408 0.0 0.0 0.0 13.76443408" Properties=species:S:1:pos:R:3:forces:R:3 energy=-636.04124977 stress="-0.009703344099626997 -0.00028865008638628115 0.001470165385901005 -0.00028865008638628115 -0.0062220222793055 -0.0016892181890961718 0.001470165385901005 -0.0016892181890961718 -0.009394697753412631" free_energy=-636.04124977 pbc="T T T" config_type=melt 
Cl       2.92113995       2.60583999      11.41770006       0.49592092      -0.25714105      -0.86038929
Cl       3.78518001       6.96230994       5.09490004       0.09663985       0.31544223      -0.10545553
Cl      12.10350005       1.36262997       8.10958006       0.25363269      -0.20074342      -1.78876174
Cl       1.88369997       0.31745603       6.89232000      -0.33355433      -0.27813609      -0.54873544
Cl       5.08017995      13.42129995       9.99919007      -0.87723243      -1.49775104      -0.62706368
Cl       5.46940001      12.17900004       2.67958997      -0.37760116      -0.71603585      -0.41823657
Cl       5.72488002       7.57602999       8.68781004       0.54780417      -0.62209752      -0.07996185
Cl       1.72689003       0.39398807       1.82312999      -0.80692698      -0.84079514       0.35847482
Cl      12.32720005       9.47041006      11.43389998       0.57134339      -0.69536119       1.93937852
Cl      13.23329994       0.12245198      12.86839998      -0.26459210       0.72832886      -0.90357250
Cl       1.27508996      10.46340001       9.14894005       0.26329208       0.02783970      -0.42659240
Cl      13.36479998       5.48245998       0.89814804       0.60808330      -0.31416361      -0.01465596
Cl       6.91631003       4.18789996      13.38430005      -0.85994848      -0.00610346      -0.92513198
Cl       6.78565995       3.91786998       9.33295994       0.22449426      -0.49982982       0.06077665
Cl       4.09424000       2.26668998       2.09000007       0.74713960      -0.44879091      -0.81529346
Cl       8.03819000       3.21366997       4.11216006      -0.32140267      -0.28720851       1.11310403
Cl      10.32930001       6.55742003       2.99999998      -0.11734487      -0.67772262       0.00633490
Cl       0.34003300       4.60186999       5.45895997      -0.06283392       1.51897930       0.28664433
Cl       4.92836003      11.71129999       6.28991004       0.75432785       0.40170240       0.37176627
Cl       8.83120998      10.77670000      10.15529995       0.23219520       0.23594589      -0.63126377
Cl       8.63727006      10.76670000       5.14702004      -0.06157021      -0.53882341      -1.26006016
Cl      11.27480005       6.51671997       8.50741997       0.29398300       0.06614890       0.16797611
Cl      10.43730003       9.53081996       1.23981998       0.22583895       1.42080705       0.13833541
Cl      11.18729995       5.11221997      12.16639994      -3.03920866      -2.12409139       0.19577649
Cl      13.24120004       9.21920006       5.96635004       0.03393093      -0.24895474      -0.00184547
Cl       7.74880998       7.77764000      13.07429995      -1.89668277       0.03539705      -0.62121986
Cl       3.96371999      10.32309996      12.83690007       0.04650388      -0.16787466      -0.18482613
Cl      11.63300004       1.41422995       3.64092006      -0.66853139       0.26214295      -0.60016698
Cl      12.79139994      11.57839997       3.42007000       1.54503741      -1.17571881      -0.23510482
Cl       2.01394001       6.30673995      10.45839994       1.21736828       0.37679865      -0.11186566
Cl       4.52713999       2.99098001       5.93993004       0.04627284      -0.68010011      -0.16235879
Cl       9.06553006       0.52985294       0.26015193       0.21249322      -0.03675693      -0.26072590
K       12.74549996      13.33929999       5.34909005      -0.04897036      -0.22737251       1.69020270
K        4.06800004       1.78884003       8.31834001      -0.03798547       0.05758385       0.63306729
K        5.85867005       9.28098007       4.99509000       0.11122913      -0.26280797      -0.26860384
K        2.42346000      10.77639994       6.02626002      -1.50470957      -0.81333625       0.48655129
K        6.94529999      10.34719997      12.24430003      -0.27149525       0.30396166       0.33314740
K        0.11625400      11.87790002       0.83423000       0.30298307      -0.65621207      -0.00865325
K       10.50510005       9.13407006       4.14451005       0.90432025      -0.66752064       0.02053275
K        6.43129005       1.33464000      11.38830006       1.26888391       1.72562994       1.10644691
K        1.73697000       2.60708994       0.08326326      -0.57463623       0.50170094       0.65379928
K        0.74615593       6.35968994       7.85267007       0.07660483       0.51142209      -0.49143786
K        4.28414996       9.75529999       9.42548997      -0.61455078       0.82799839       0.35323476
K       11.47520002       3.03354996       0.69734202       0.10882150      -0.39425591       0.23237387
K       13.37800007       5.81406007      11.44799999       1.73434102       1.16874502      -0.21191180
K        8.94131003       6.40719004      10.41209997      -0.46158214      -0.05452771       0.05482056
K        1.48390000      13.31830000       9.69437998       0.08315771      -0.09253240       0.38796147
K        3.54621993       4.21632998       3.76086995      -0.56749361       1.53931605       0.24978836
K        8.66795002       4.19417998       1.69435999       0.24874366       0.34956838      -0.03236449
K        6.17348000       0.81777201       3.73410996       0.57332219       1.03714273       0.21127708
K       11.97160002       9.50226000       8.93865997      -0.15470160       0.07396174      -1.98389164
K        4.72888007       5.37660997      10.73359998       0.46486832      -0.46762561      -0.29374352
K        4.01740996       0.01856588      13.68789997       0.18890171      -0.41101914       0.21313983
K        6.61682003       4.72365000       6.53046996       0.25501119       0.52783573      -0.18107909
K        4.09806996       7.20551001      13.12539999       0.10194910       0.51552466       0.27049982
K       11.86900007       1.55595998      10.63770000      -0.42758772       0.27281325       1.85036571
K        3.11707007      13.25730002       4.19127004       0.32859181       0.30502969      -0.19641242
K       13.23080005       7.14509997       3.43593006       0.13300711      -0.19885127       0.09366282
K       10.18420003       7.21265004      13.62089994       1.48774798      -0.16903634       0.78652256
K        0.20286587       2.09126997       4.95906999       0.78941267      -0.66754266      -0.22868917
K        7.91751005      12.05430005       7.15030004      -0.82776017       1.09103578       2.25852277
K       10.29630006      12.03980004       3.00820000      -1.81226952       0.96485394      -0.99411562
K       10.71610002      11.46360005      12.38430001      -0.39702594       0.46954292       0.53611444
K       11.41139994       4.10190005       7.02995993      -0.19000063      -0.23635900      -0.58640856
64
Lattice="13.76443408 0.0 0.0 0.0 13.76443408 0.0 0.0 0.0 13.76443408" Properties=species:S:1:pos:R:3:forces:R:3 energy=-634.80877044 stress="-0.008461531814907382 0.00010597480190119125 0.0006382973866447771 0.00010597480190119125 -0.006460557560022037 -0.00046513246437705107 0.0006382973866447771 -0.00046513246437705107 -0.01445041553436204" free_energy=-634.80877044 pbc="T T T" config_type=melt 
Cl       8.87618004      10.37879995       5.47321001      -0.40460816       0.61746962      -0.00705539
Cl      13.23779995       9.12025002       7.07386999      -0.61016858       0.43139097       0.41462196
Cl      12.78890005       2.81465003       1.43182007      -0.52121336       0.59165757      -1.00256046
Cl       9.64620996       4.79572002       3.84796000      -0.15380020       0.20402273      -0.30353265
Cl       0.95179203      13.36089996       8.37768000      -0.26421048      -0.37518988       0.34049207
Cl       6.64301994       1.12435000      11.87920007       0.77004524       0.87272982       0.21168599
Cl       1.94251003       7.96934994       4.76925005       0.42028537      -0.15729311       0.32144583
Cl       4.60016003       7.69553997      12.55059998      -0.01346805      -0.53591726       0.08209788
Cl       3.09835002       0.30885697      12.40059999       0.15120825       0.62817168      -0.82081522
Cl       1.73549005       7.52174004       1.44276995      -0.29296070      -0.12356991      -0.81615502
Cl       1.29700996       6.87388006      11.06960000      -0.21928061       0.88920279      -1.13971954
Cl      10.35790003       7.22760000       8.69125996       0.21300609      -0.03205811       0.05724016
Cl      11.75730004       0.42162402       5.56086000      -0.90659083      -0.53432713       0.39342835
Cl      12.52950007       9.73235000       3.20320005      -0.77306010      -0.21391729       0.06374616
Cl       4.02170997       3.50066007       5.58881006      -0.82301605      -0.34598202       0.83202810
Cl       4.83982994       9.66924007       8.30574004      -0.71050705      -0.41276398      -0.05886521
Cl      13.19819995      10.18209999      11.67530007       0.28234147      -0.77862931       1.46622339
Cl       3.66438003       4.27417997       9.30788004      -1.86351415       0.29297652       0.84434947
Cl       5.69708000      13.12814806       7.91258004      -0.10477444       1.34176837      -2.43855439
Cl       4.27334998      10.63710001       2.52553002       0.84802708       0.13176306      -0.62455312
Cl       1.44062999      11.41939997      13.37528614       0.31960705       0.31993045       2.10482392
Cl       5.99214005       7.37506995       5.34969995       0.70962739      -1.28255291      -0.21614878
Cl       7.73323002      10.23719998      10.73430004       0.06367900       0.72713045       0.54271958
Cl       8.80191004      12.29829997       1.80185004       0.02648490       0.10231341       0.35595576
Cl       7.48040999       5.22012006      13.63687811      -0.06165777      -0.47085299       0.20213464
Cl      10.33630005       3.26389005       9.72890999      -0.29015279       0.16114470      -0.07529981
Cl      12.66330000       3.98760996       6.57754005       0.09782376      -0.01164865       0.31530923
Cl      11.39219994       1.18287004      12.21230006      -0.02381313      -0.02300458      -0.06059354
Cl       1.29033999       0.46333907       3.35543001      -1.02742525       0.36241566       1.71783387
Cl       3.02122005       3.47589001       1.05899000      -0.13217959       0.09492730       0.58777506
Cl      10.00429998      12.52259996       8.49546997       0.54787465      -0.37559186      -2.25651863
Cl       9.19072007       8.19869996       0.31982998       0.54793219       0.21858052       0.76300173
K        1.25665002       4.93352995      12.73159995      -0.02708049      -0.83865165       1.55002321
K        4.77297994       6.41628998       7.98442998      -0.10581192       1.17264586      -0.48035996
K       13.13320002       6.69940994       5.69429999       0.16958525       0.39112474      -0.38792810
K        1.81039995      10.38020006       7.83287007       0.53164093       0.12133945       0.05306720
K        2.87540005       1.50744999       7.73639997       0.05388544       0.15198261      -0.63803653
K        5.63546998       2.76087996       9.02019001       2.19225614      -1.50180494      -0.27427457
K       12.87380004       2.29596996       4.11503999       0.68927802       0.72435472       0.02821796
K       10.72860005       0.32265003       1.06063994       0.87728447       0.41559213       0.20363115
K        3.96846005       3.17280997      12.39110006       0.94476082      -0.30872738      -0.78226642
K        4.85963999       7.44365000       1.58601999      -0.26134492       0.12650205       0.36432278
K        1.50006000      10.47369994       2.50648005      -0.48275059      -0.42856289       0.26126490
K       11.61719998      11.38130002       5.70884005       0.52679683      -0.66969538       0.23747305
K        0.11860799      13.47980004      12.42840002      -0.13865676       0.50545628      -0.62869537
K        7.23752003       7.70315996      12.08690001       0.80036219      -0.23239908      -0.80754254
K       12.28720005       1.35569999       8.41642000      -0.35352278      -0.03035008      -0.23898089
K        2.03454000       5.16717007       3.06260998      -0.13096545       0.08713673       0.70219495
K        9.12040996      13.33699995       4.40403997      -0.21158361      -0.09018184       0.66742640
K        2.55822000      13.38960005       1.36404000       1.56881462      -0.24631767      -1.07122795
K        2.62238002       9.48528997      12.15029996      -0.26520997      -0.78034165      -0.84259201
K       13.22910000       5.39226000       9.25788004      -0.58858806       0.34305486      -0.14932614
K       12.24109993       8.54566005       0.47253399       0.48394910       0.52487232      -0.30325360
K        9.53537998       8.35646997       3.78433005       0.14349753      -0.41231786      -0.66649287
K        9.43834994      13.41949998      10.73869998      -1.05660891       0.62728700       1.82817566
K        6.24552002       4.31807998       4.51446996       1.11372422       0.60905654      -0.85218716
K        7.35976004      10.94840003       7.90436997       0.79246979      -0.58228694       0.19295978
K        9.43387994       5.48901007       6.67404002       0.26276851      -0.21615485       0.43577359
K       10.43249996       5.26889006       0.65649207      -0.17803181       0.03856125       0.49160122
K        8.93149998       2.98004994      12.50210003      -0.04586685      -0.15173280      -0.55378141
K        5.20072996      13.25100004      10.33730004      -1.16748860      -1.22542497       2.12088871
K        4.98745996       9.89439001       5.14794005      -0.33062617       0.44183443       0.41958594
K       11.92289994      10.69310006       9.61777994      -1.08075075      -0.33411264      -2.11101363
K        7.30504999      10.91060001       0.05005244      -0.52772736      -0.54603494      -0.56518874
64
Lattice="13.76443408 0.0 0.0 0.0 13.76443408 0.0 0.0 0.0 13.76443408" Properties=species:S:1:pos:R:3:forces:R:3 energy=-637.44005278 stress="-0.010983106395107373 -0.002361806208425732 -0.0016952717913483115 -0.002361806208425732 -0.003092943078601188 0.0052392228990388225 -0.0016952717913483115 0.0052392228990388225 -0.006816816247478726" free_energy=-637.44005278 pbc="T T T" config_type=melt 
Cl       0.69689302       8.76709001      12.48099998       2.26691203       0.74713710       0.43380293
Cl      13.25400000       2.97323999      11.03310003      -0.41546303      -0.70398136       0.20793933
Cl      11.67599999       3.23575996       3.56596006       0.14238275      -0.10681778      -0.10407239
Cl       7.44939004      10.35440001       9.95234006      -0.28043042       0.23887547      -0.12863964
Cl      12.57019998      11.98639996       2.09476999       0.14003286       0.12417174       0.47618616
Cl       2.91082998      10.14580001       7.72375004       1.03348718      -0.98347603      -0.36920067
Cl       1.97200005      10.60330007       2.03292006       0.44419558       0.39962931      -0.02015669
Cl       4.80944000       3.76604001       4.91507996      -0.33046810       0.71090882      -0.02648594
Cl       6.21845006      10.28260004      13.73457627      -0.33509881      -0.57645849       0.36135406
Cl      13.44530003      12.70360006       6.89047006       0.76752113       0.02622884       0.24435572
Cl       9.32857005       0.64975094       6.99486999       0.60917381      -0.10061344      -0.50258836
Cl       1.43855996       1.38308998       0.97051400      -1.45839292       0.48236967      -0.84879489
Cl      12.07339999      11.29310000       9.86523005       0.14285017      -0.71860674       0.30225697
Cl       5.11565007       2.39536005       0.29596589      -0.56496493      -0.15627016      -0.12389218
Cl       7.23959997       7.53183997       2.61877002       0.36651900       0.40494998      -0.31619476
Cl       7.96562996       0.11907502       2.33379999       0.09655712      -1.04626232       0.17094956
Cl       7.19273001       2.18065001      11.38879998       0.61040853       0.21612571      -0.06430939
Cl       9.53542004       4.71745999      13.48200001      -0.42394328       0.50609972       0.09466259
Cl       9.89208006      13.63760005      11.49340005       0.10400305       0.69961550      -0.38535790
Cl      10.94100000       8.85249998       5.45093998      -0.21886728      -0.13044997      -0.46981575
Cl       5.51814001       0.54658802       8.64397995      -0.16823607       0.54725686      -0.48328822
Cl       3.02810998       1.06150999       4.74177005      -1.06721130      -0.54669716       1.85973108
Cl      12.84449997       6.40393998       1.89168004      -0.30417551      -0.89168880      -0.40417577
Cl      11.29380006       5.83451993       9.24685005       0.14648014       0.24293363       0.08148102
Cl       5.73402002      11.74779996       4.70114996      -0.12382718      -0.01036431       0.26438913
Cl      10.74570002       9.87005999      13.68977813      -0.87635075       0.91382834      -1.53305422
Cl       3.28718003       8.05490993       4.33629005      -0.84486926       0.79397227      -1.41001543
Cl      13.64740005       2.78628002       6.95831000      -0.21268936      -0.06574466       0.31305883
Cl       8.37551994       4.68553999       5.52130996       0.29938208       0.00889612       0.45440485
Cl       3.27670997       6.38969999      12.98229998       0.20459234       0.02316917       0.49677895
Cl       5.71196004       6.61255003      10.01340006       0.08072575      -0.04984041      -0.28782182
Cl       2.68158994      11.68610006      10.68379998       0.04053739       0.42392642       0.98628574
K       13.37490004       0.78897103       4.73598004       0.03031402       0.03195462      -0.54886993
K        1.61956998       4.41271996      11.71619999       0.70419592       0.44929135       0.22180951
K        7.82336999       2.49839000       1.20860995       0.22976439       1.00194888      -0.27394640
K        1.30682001       7.88281005       1.63133994       0.85726668       0.28771051      -0.30046112
K       10.84259998       3.22994999       6.67639002      -0.26710908       0.30142639      -0.37201233
K        2.04283995       3.90094000       2.64554997       0.13043656       0.00357867       0.16103410
K        0.88112997      12.20510002      13.43719994       0.30464552      -0.39494289       0.28136607
K       10.88920003      11.56019995       6.67355001      -0.15308394      -0.17309783       0.20733745
K        4.47108006       8.87635994       1.93527998       0.49611976      -0.00578464      -0.24383649
K        5.04290999       0.37901305      11.43059995      -0.73724160      -0.02297042       0.54572357
K        8.59058000       6.20366003       8.34981995      -0.41949907       0.16835680      -0.36311261
K        0.90039894       9.50651995       9.43218995      -0.90585453       0.24322455       0.43393856
K       10.39619998       6.04721994       3.39672001      -0.75509413      -0.17112678       0.74565663
K       11.34529997      12.83520003      13.54399997       0.11858052      -0.29827076       0.56617140
K       11.94189995       3.57252005       0.62031294       0.60072476      -0.21279185       0.34029214
K       10.54679996       3.71281005      10.94239998      -0.67944873      -0.40370343      -0.03840014
K        3.66596005       1.02398002       2.28071002       1.79387537      -0.93340493      -0.64846221
K        2.78368997      11.20380007       5.14662995      -0.40150441       0.15634154      -1.01784371
K        6.72313005       1.46299004       5.88220998      -0.19598061       0.21699014      -0.48551082
K        5.80841004       4.49202003      12.33929995       0.02345416       0.93749364      -0.22917786
K        3.82975007       6.77732999       6.39441004       0.79229517      -1.12378525       1.69021169
K        4.40334996       9.21989007      11.42540003       0.14190243      -0.28419118      -0.11078930
K       11.72249997       9.05481995       2.10983998       0.82886742       0.23980716       2.26985769
K        7.49285001      12.19419997      12.35960001       0.73571448       0.37612534      -0.31016237
K        8.12602994       0.28306586       9.39594998       0.29875611      -0.39479261       0.16708315
K        6.45628007      10.12500002       7.03499001      -0.03795217      -0.00122217       0.27074438
K       12.72859999       0.26490906       9.75036007      -0.01231683       0.10185872      -0.52702520
K       12.15259999       8.12766006      11.91850000      -2.32333682      -0.72963024      -1.09156038
K        2.54247005       3.21469996       6.68224996       0.70484605      -0.19547488       0.01624440
K        3.29690006      12.87130001       8.21459003      -0.94256128       0.09282182      -0.65184887
K        7.63606000      10.94940002       2.65201003       0.14960413      -0.11252466       0.05268866
K        8.63168005       8.09462005      13.65680006      -0.98115295      -0.57403864      -0.02691257
64
Lattice="13.76443408 0.0 0.0 0.0 13.76443408 0.0 0.0 0.0 13.76443408" Properties=species:S:1:pos:R:3:forces:R:3 energy=-637.23324002 stress="-0.0033581445392165846 -0.001118427760545687 -0.0002664723504620996 -0.001118427760545687 -0.009121299737043323 -0.0031334961232259173 -0.0002664723504620996 -0.0031334961232259173 -0.008361182310419093" free_energy=-637.23324002 pbc="T T T" config_type=melt 
Cl       9.78022999      12.07359999       3.62473006       0.32610963       0.36592131      -0.09505679
Cl       7.25701005       2.16424997       3.18127000       0.28885024      -0.19184774       1.22908061
Cl       6.58694006       0.10776602      10.55269994      -1.02537105       1.06191756       2.88380343
Cl       5.57216005       9.49969995      11.03909994      -0.19468799       0.48115685       0.22954242
Cl       2.31260001       2.44310006       6.86648994      -0.13022045      -0.42075056      -0.50919552
Cl      11.02980000       9.29207998       8.67495998       0.09529815      -1.10294829      -0.12939054
Cl       4.60452997      12.25080001       1.62529997       0.37023939       1.41433417      -0.93201482
Cl      13.25229996       7.53997998       4.52452007      -0.15206178      -0.25709315      -0.39539636
Cl       1.66302003       5.96122995       7.63139000      -1.05505370       0.84404479      -0.71657099
Cl      11.98229994       5.96901002      12.98970002       0.01033144       0.59493674      -0.00477613
Cl       5.24390995       0.21351707       6.51071001      -0.53382286      -0.09205333      -0.59578837
Cl       2.08607996       5.30720997      11.60130000      -0.56355512       0.52911503       0.77632779
Cl       0.24999406      10.71270007       3.89063993       0.10850273       1.00867830      -0.13447151
Cl       9.45986995       9.07467997       0.77485505       0.31573254      -0.03090374      -0.43860772
Cl       8.99174994       6.44605007       3.26868999      -0.35544959       0.23567159       0.57051668
Cl       1.34109001       2.48135995       2.64640006      -0.08778551       0.05276567      -0.15778381
Cl       1.85495006       8.53744998       0.48891201      -0.81749438      -0.84944669      -1.25161341
Cl       7.66927000       6.56912998      10.66590003      -1.83067865      -2.47875010       0.58384774
Cl       6.78580998       4.64532004       7.41813005       0.80928339       0.68660944       0.83386842
Cl      13.06469994      13.05300003       0.94616706       0.17569821       1.16440171       0.48613701
Cl      11.11970007       2.54430994      10.95479994      -0.57643872       0.15537390      -0.50531865
Cl       9.33167998      12.12570002      11.84220003      -0.91524468      -1.89546318      -0.42756538
Cl       9.75070996       0.61054900       7.34988998       0.24216506      -0.72678899       0.21564209
Cl      13.40180002      12.46439994      10.93120000       0.50449885      -0.25428066       0.25816926
Cl       1.54566006       2.23243003      10.29469994      -0.39362016      -1.50844619       0.49087952
Cl       9.25668997       3.05391994       0.37085005      -0.26895330       0.33023474      -0.70650297
Cl       5.06971003      10.06799999       3.86181996      -0.63896841      -0.89611843       0.62179024
Cl       2.63112994      10.59040004       7.65480000      -0.48413614       0.62483676      -0.09545512
Cl       3.06300007       6.74049003       3.69358004       0.28075063      -0.25854447      -0.04525581
Cl      11.01399995       4.02362006       7.60404998      -0.22448948       0.08540015      -0.10058348
Cl      11.36790007       3.17383996       3.93926995       0.24483202      -0.07124663      -0.09017809
Cl       5.73723002       4.90985994      13.61130007      -0.16424677       0.14782180      -0.03384262
K        2.75625002      10.35340002       2.18839003      -0.39732499      -0.18783433       0.81633771
K        6.73410003      11.99869999      12.99429995      -0.53627214      -0.40728184       0.07664023
K        1.91799006      13.56299998      13.10460001      -0.20933174       0.10620169       0.06914535
K        2.01300003       5.06960005       0.95370502       0.38538688       0.20744154       0.25572022
K        5.38636001       3.23641005       5.74847997      -1.27648416      -0.90039938      -1.03655241
K       11.31179995       5.79978002       2.05642999       0.67850351      -0.41047935      -0.17862163
K       11.07379995       0.09810807      12.23359997       1.67045121       1.73665272       0.65318873
K       13.21009999       2.38631007       7.84779003       0.22455707      -0.29058562       0.47570568
K        0.94107298       4.78962995       4.70185993       0.49226955      -0.10673555       0.28718365
K        2.90414996       4.28414005       9.19547003       1.50849937      -0.50154067      -0.22519893
K        2.66324002      13.29209995       8.82137997       0.14769980       0.46602903       0.08359691
K        0.05235096       7.97997993      11.69919995       0.16263281      -0.25159337      -0.06593853
K       11.44300006       5.62036007       5.38998997      -0.74612931       0.29902475       0.24999878
K        8.99629000       6.10848998      13.45750000      -0.58837131      -0.20993773       0.19114153
K        9.59190005       5.86752994       9.16624002       1.08981713      -0.37062935      -1.09210746
K        7.78708006       2.63666998      11.45119994       0.35204888       0.47077341      -0.30827646
K       11.14970006       9.44868001       3.32761994      -0.12599581       0.02840518      -0.05421100
K       13.52499996       9.71425995       6.48140993       0.03665260      -0.24823023       0.59911288
K       10.29429995       1.21524000       2.06767003      -0.56196520      -0.44718658       0.18268147
K       11.10099998      11.88510005       9.30750000      -0.41549989       1.09889627      -0.18370519
K        3.28649002       8.07315001       6.65531007       0.45432586      -0.31965589      -0.60949151
K        3.74223002       7.42051006      12.23250005       1.13148950       0.38787826       0.09746769
K        2.78777002      12.87329998       4.91229005       0.31415046      -0.04369999      -0.06503824
K       12.11109995      10.92620006      13.48250007      -0.66809509      -1.05232186      -0.39209317
K        8.59520004       2.74147995       5.79382002       0.45864308       0.21666852       0.05373009
K        7.07990996      13.09050000       8.30476002       1.26418681      -1.09005308      -2.01079824
K        8.35290002       8.79782999      11.31449998       0.91657309       3.12340098       0.76766085
K        7.00076997      11.68229997       4.61185003       0.71953737       1.11202169       0.14756492
K       12.48210003       0.41335903       3.86444002       0.53601853      -0.47374928       0.14628773
K        6.20231002       2.17318997       0.76945100      -0.38562647       0.08475336      -0.50918059
K       13.40439998       3.83057002      11.82029999       0.10706117      -0.33842354      -0.01899949
K        6.17140996       7.49927001       3.24667006      -0.09942212      -0.43634815      -0.21718867
64
Lattice="13.76443408 0.0 0.0 0.0 13.76443408 0.0 0.0 0.0 13.76443408" Properties=species:S:1:pos:R:3:forces:R:3 energy=-635.61594152 stress="-0.005225594089507763 0.0012822026943410509 0.00012488547604701136 0.0012822026943410509 -0.005554993603361911 0.0011452148696838606 0.00012488547604701136 0.0011452148696838606 -0.004390771066480413" free_energy=-635.61594152 pbc="T T T" config_type=melt 
Cl       0.52258697      12.95300004       4.55563003      -0.26283442      -0.31309979       0.04214193
Cl       5.21387004       4.98768997       3.29758002      -0.95954904       0.53981788      -0.56339460
Cl       1.50772996       3.54999001       8.09736000       0.26643831      -0.51836232       1.40948429
Cl      12.74139995       0.70750499       8.55254006       0.01146570      -0.15489208      -0.41152762
Cl       0.66833898       1.89040999       0.15466599      -0.39981335       0.59811815      -3.07153406
Cl       5.16174000       5.42543999      12.96309997       1.08009872       0.33862372       1.16108303
Cl      11.99189995      11.87650003       0.85495497       0.23810278      -0.02603088      -0.40200897
Cl       9.30169003       0.54277995       2.76548003       0.29715238       0.40067671      -0.58746494
Cl      11.15359994       9.27112996       9.66015994       0.26508713      -0.14183943       0.37692049
Cl      13.63310004       4.38577994       3.74313998       0.03371157      -0.49120571      -0.45581237
Cl       0.68736501       7.94227007       6.76201995       0.02677184       1.09706688       0.27993600
Cl       0.56711905      12.05610002      10.62379999       0.59767976      -1.00829227      -0.51493978
Cl       4.26909002       7.30492006       8.75558997       0.12514209      -0.32532077       0.22485571
Cl       9.63135002      12.72329999      11.44910004       0.61889820      -0.39072604      -0.09487182
Cl       7.22898993       2.25705006       6.65828002       0.56403665      -1.88764434       0.90961102
Cl      10.53839994       4.36403998       7.91722994       0.43477814      -1.40449588       0.49118387
Cl       5.93360996      10.55550004      12.79839999       0.39469080       0.19955496      -0.30402042
Cl       5.28536994      11.10900001       7.85567994      -0.24587954      -0.06632139       0.15454124
Cl      12.99389996       7.52475005       1.12975997       0.35083850       0.69265396      -1.57416441
Cl       3.47275997       9.13383001       2.67883994      -0.33981520       0.15731253       0.27767004
Cl       3.87488007       2.64023002      11.66550007       2.03662956      -0.20780757       0.73209032
Cl       8.03547001       9.46915007       2.65373995       0.13095221       0.47038751      -0.60288542
Cl       8.23321001       2.07504996      11.73309996      -0.33658967       0.45326577       0.03976416
Cl       2.49905000       8.86005005      12.51920000       0.37331632      -0.17768975       0.26607930
Cl       9.83227001       5.37967999      10.93009994      -0.71078428       0.00646782       1.00352783
Cl       9.25553995       5.57791000       3.79435001      -0.50348403      -0.90041361      -0.53448540
Cl      11.24250002       8.76481998       5.48235001      -0.25164975       0.14723676      -0.12010775
Cl       4.33237999       0.06216597       2.23154002      -0.64478351       1.43594089       0.43124177
Cl       0.09896587       5.84061001      11.92149996       0.22725799      -0.47320385      -0.00570125
Cl       7.62868997       7.88086004       7.34764995      -2.33443238      -0.85206163       0.39483433
Cl       9.60345006      12.22809998       6.39989998       0.10949307       1.03843307      -0.69973857
Cl       3.06431003       0.53920794       8.41517996       0.04761283      -0.48619045       0.16717352
K        7.58466002      13.39000004       4.61206999      -0.68092756      -0.62348695       0.94618468
K       11.70269997       6.85769997       3.22437993      -0.52714139      -0.27321960       1.75844741
K        3.33265001      11.22110004      10.59180002       0.68074473      -0.07955763      -0.03652498
K       12.65620003      13.56920004      11.97860006      -0.89451354       0.17752336       0.51120724
K        9.46639002       6.28203995       6.54387004       0.71129358       0.59819860      -1.39387917
K       13.56149994       8.95810994      11.62440002      -0.08836520       0.12800321       0.01334847
K        1.53053996       2.38332002      10.81820005      -1.91987789      -0.62258758      -1.02301033
K        6.90657004       8.33950998      10.34799996      -0.47784010       0.08608166      -0.37095805
K        9.11635000       9.89486997       7.73453007       0.41082414       1.10318585       0.29345534
K        3.24272999       5.46537997      11.11560005      -0.84789687       0.61015902      -1.10147581
K        1.92451000       6.54100002       1.11272002       0.18042193       0.32957435      -0.07055693
K        0.96550802      11.59380003       2.02589001       0.32586542      -0.65905545      -0.22038313
K        5.67626005       1.38752006       9.17023005      -0.32933871      -0.76093214       0.46544321
K        7.23976996       3.92445997       8.61288995       0.54232503       1.79772559       1.62226896
K       10.70100002       1.97051996       9.91615006      -0.81619251       0.28480949       0.42667067
K        0.95803599       1.36834001       2.49416996       0.28487862      -0.46439278       3.24212470
K       12.12459997      11.08600005       7.02800002       0.29159509       0.05207793       0.42265546
K        5.30301994      11.47529995       1.78675995       0.62328721      -1.79114180      -0.04451137
K        5.05854005       8.19689998       0.48312696       0.17321706      -0.24003509      -0.07118908
K        4.70876995       7.61943999       5.69591002       0.20384849       0.26042484       0.14119276
K        4.17940000       2.76233995       1.17276998       0.11916757       0.49085862      -0.64604933
K        8.09167006      13.46929997      13.66949995      -0.05865978       0.15811678      -0.02628092
K        1.66231006      10.71590002       7.31531000       0.67601955       0.08539734       0.04848086
K        1.00516996       5.31299007       6.35897997      -0.17823834       0.72531588      -1.35600636
K       10.03220007       9.71514996      13.46080002      -0.06833556       0.29343542      -0.11783599
K       12.03000004       6.33922994       9.49780005       0.50653742       0.27008671      -0.17463112
K        1.05141997       1.24863995       6.50436997       0.17795169       0.01256645       0.28790001
K       10.73940004      11.00720004       3.25228994      -0.51306075      -0.07987275       0.74952364
K       12.48199997       4.11242007       0.32091695       0.03851739       0.50247801      -0.02945444
K       10.92889996       2.23665006       6.10567006       0.01179288      -0.47860176      -0.33964136
K        8.19387002       4.84813003       0.16832595      -0.25206768      -0.10617564      -0.35996684
K        6.77677005       3.14071007       4.37314997       0.45362871       0.46308122      -1.96602967
64
Lattice="13.76443408 0.0 0.0 0.0 13.76443408 0.0 0.0 0.0 13.76443408" Properties=species:S:1:pos:R:3:forces:R:3 energy=-638.23808295 stress="-0.0042367738624288385 0.000338026783669817 -0.0019438630732515057 0.000338026783669817 -0.0068643698498786635 0.0011440065447246353 -0.0019438630732515057 0.0011440065447246353 -0.0071921238023347905" free_energy=-638.23808295 pbc="T T T" config_type=melt 
Cl       4.35749994      13.32189995       2.22160994      -0.72405017      -0.14397141       0.62917128
Cl       0.02560997       9.59666998      10.48120004      -1.03599153       1.35672783       0.40517758
Cl       9.47422997       7.00007996       4.34216003       0.05548485       0.37732565      -0.29232891
Cl       7.45991997      10.41910001       2.75342005       0.80395645      -0.11860192      -0.36931488
Cl      10.99880002       4.64532004       1.72703001      -0.75307844      -0.16200839      -1.16182350
Cl       4.02104996       2.56728994       0.04926594      -1.58189017      -0.60041734      -0.30853004
Cl       2.92433000       9.71807999       0.26449296       0.64064367       0.59890648       0.35287311
Cl       1.16585004       4.82484997       5.20295994       1.07939943       0.02577172       1.51865304
Cl       3.51228000       9.32988001       5.74910006      -0.54968873      -0.18870355      -0.94750660
Cl       2.24246994       6.15463002      11.43859998      -0.33486861      -0.11562794       0.08968271
Cl      13.22750002      11.02279996       5.52184003      -0.00493045      -1.05739543      -1.77235626
Cl      11.46879997      13.41780007       8.07874002      -0.25481060      -0.74033039       0.34448808
Cl      10.06030003      12.25960002       3.82783998       0.04545008       2.01521586      -0.91537368
Cl       6.08467999       6.13770995       2.39089996      -1.11882020      -0.68223323       0.53987670
Cl       1.87692002       5.95773997       2.39485998      -0.13969264       0.57876324      -0.53930596
Cl       6.60762002       6.50052997      12.50090005      -0.02106439      -0.36989705       0.06239286
Cl       6.75843995      10.89630000       9.55895997       0.97875760       0.33089818       0.72876611
Cl       6.56693001      12.53620004       5.95392007       0.03980240       0.08384762      -0.22006328
Cl      11.26840000       6.77516994       8.95893993       0.34852822       0.34893075       0.80689637
Cl       7.43185003       1.91592003       1.78285993       0.67931447       0.25531748       0.69227213
Cl       9.56115994       8.96536999      12.24219999      -0.05855493      -0.31150444       0.72906461
Cl      13.62230006       1.65902999      10.26859996       0.01903161       0.19425783      -0.12316235
Cl      13.69190005      10.86230006       0.76269707      -0.79508769      -0.43405858       0.40128877
Cl       1.06699993       1.31093998       4.33926000       0.43419046      -0.46367832      -0.13887597
Cl       3.67481994       1.10259999       8.44597003      -0.37419969      -0.67366077      -0.14169535
Cl      11.54180006       2.56479995       5.55969002       0.03682119       1.04001439       0.06951827
Cl       3.06434003      10.79049995       9.19290999      -0.31691541       0.09436838      -0.13663739
Cl       8.86891998       2.96113004       7.40196001      -0.90163299       0.45423944      -0.37483879
Cl      12.29310004       0.70742804       0.25076707       0.49517188      -0.45325214      -0.03681133
Cl       8.18017000      12.29470002      12.19519995       0.63229571      -0.27558843       1.19235553
Cl       6.14756996       5.25198004       7.32546994       0.78404215       1.15198224      -0.92659907
Cl       8.34411997       2.37548998      11.14680003       0.07413257       0.28644683       0.17883962
K        9.32515000       0.27079900       6.04274003      -0.65400340       0.31973814       0.21582515
K        0.44896597       2.55863005       7.09142006       0.08670688       0.02120520       0.03277987
K       10.04480003      10.60969998      10.07449997      -0.11389422       0.22142572      -0.21601175
K       10.62849999       2.70307994      13.22220003      -0.60046621       0.36629647       0.21414306
K        5.80514994      13.34410006      13.63949996       0.09934753       0.29539235      -0.24693473
K        3.79455001      13.47909998       5.30714996      -0.08774966      -0.01713296       0.47424249
K        2.86124994       3.10016996       2.65457999      -0.05686219       0.03779061       0.30076267
K       13.60530002      11.50480003       7.99937994       0.85011200      -0.04145611       1.69647137
K        7.22356000      13.33069997       2.92767999       0.38806812      -1.07707173       1.06808893
K        7.65025003       4.34007004       4.35368004       0.30207073       0.01732866       0.01176081
K        5.65880000       9.60887999       7.60864000      -0.60968245      -0.32518702      -0.87679385
K       12.31980001      13.76210004       5.40227004       0.51032858      -0.47733705      -1.05631841
K        7.94728995       7.87524002       1.56396001       1.09344162      -0.05847725      -0.58510460
K        0.81652206      13.31770001       1.56677002       0.40860643       0.51074433       0.48471356
K        0.37107703       8.48078001      13.04839996       0.08213256      -0.52294301      -0.25361775
K        8.60494002       5.49189000      10.25979994      -0.19215247       0.11372559       0.02374988
K        6.72740996      13.65660006      10.41579998      -0.53775151       0.65732230      -1.30157711
K        6.37524995       9.30820997      11.98650002       0.14592688       0.31678820      -0.08589995
K       12.83349998       5.09069005       3.55564995      -0.23461989      -0.12642275       0.24303091
K        3.67023996       7.09519000       0.38122500       0.64383074      -1.08803017      -0.52857048
K        1.24072994      12.76520003      10.79230006       0.27920478      -0.27490398       0.04224186
K        3.99067007       6.58106994       4.62537001       0.03125383      -0.25518443       0.24175888
K        0.86230601       8.82209999       3.45401006       0.17431818       0.33377838      -0.01696429
K        4.32179005       3.74132005       8.40175000      -0.65369400       0.00200587       0.74440263
K       10.47029998       9.95526996       4.74326996      -0.05496126      -1.88875073       0.63094081
K        6.51307997       3.30297995      13.58539995       0.75198842       1.84112896      -1.34607567
K        4.81328000      10.38189997       2.86279004      -1.17340005      -0.11153570       0.23222215
K       10.67780007      11.38729993       0.47487600      -0.18468747       0.22221429      -0.08480623
K        0.98977004       7.99278994       8.65592996       0.68938838      -0.80985265      -0.46031834
K        0.88366098       3.38464007      12.44920001       0.35739416       0.21888868      -0.01471128
K       10.74639994       2.13134994       9.14851005       0.42981301       0.16518795       0.65595653
K       10.23039994       5.76234998       6.74299006      -0.35175410      -0.98876073      -0.57548051
64
Lattice="13.76443408 0.0 0.0 0.0 13.76443408 0.0 0.0 0.0 13.76443408" Properties=species:S:1:pos:R:3:forces:R:3 energy=-635.79830757 stress="-0.00982719242410256 -0.00010376846587424627 0.002131385182923773 -0.00010376846587424627 -4.735380545130971e-05 -0.002192515590600734 0.002131385182923773 -0.002192515590600734 -0.0049456060194184555" free_energy=-635.79830757 pbc="T T T" config_type=melt 
Cl       2.12999001       6.47040995       5.57276004      -0.27454622       0.15364105       0.15945688
Cl      12.74079996      10.49980006       9.88720002       0.80395862      -0.56749415      -1.06009690
Cl      10.13939996       3.76080003       0.03187526       0.14548215      -0.39199246      -0.92845940
Cl       9.61835997      10.15130000       4.16654003       1.43088897       0.27827768      -0.64839237
Cl       4.19410001       3.87545005       5.30854003       0.71806404      -0.47384964      -0.02608336
Cl      12.18399997      12.56489999       5.31006003       1.89041327       0.91564149       0.83164547
Cl       1.30992004      10.54989998       2.77944997       1.20109196       0.29244766      -0.65665322
Cl       8.16233997      12.25339997      11.38090002      -0.55623411       0.31862215      -0.09685039
Cl       4.82645999      10.21209999       9.12793002      -0.12315155       0.35748661       1.08079739
Cl      12.30450002       8.52849002       5.62838005       0.82458528       0.27258477       0.05658297
Cl      12.27219999       2.63147005      10.49830001      -0.41912843       0.16071542       0.08547853
Cl      10.52830001       3.31589002       3.36553999      -2.03562403      -0.64914823       1.33496032
Cl       1.79798003      12.58540005      11.11330002       0.18274721       0.35800290      -0.32594306
Cl       0.56882295       5.27109003       1.06398002       1.21067513       0.50068619      -1.37205347
Cl       1.67844996       6.10768999      10.68120002      -0.89533814       0.27980315      -0.24417594
Cl       5.16418002       9.00443001       0.88536694       0.64118318      -1.35033275      -1.01886648
Cl       7.82748005       9.28473996       7.59272997       0.72061026      -0.05767555      -0.18836988
Cl      10.13779998      13.34419999       0.38540801       0.35428330      -0.20853276      -0.35105485
Cl       0.09350056       1.47850999       2.05676997       2.14939730      -0.20318314       0.12287074
Cl       9.06057005       0.81713705       7.69412994       0.13354389       0.14727307      -0.23075770
Cl      12.91309998       9.74075002       0.31064098      -0.33880592      -0.30119546      -0.59388252
Cl       7.60000007       5.90254005       4.33778005      -0.28284983      -0.32076333      -0.09812679
Cl       4.00591005      12.87959996       5.01936000      -0.03609883       0.05068580       0.50424671
Cl       4.21752005      13.32300001       0.76577507      -0.31163460       0.34110090      -0.21721053
Cl       9.46797004       7.67334000      12.20889997       0.25653459      -0.00570154       0.18528495
Cl       0.56789894       2.36003005       6.34731998       0.08217384      -0.29970831       0.65250598
Cl       6.16143997       5.42527000       9.24653994       0.16926965      -0.47209689       0.04152804
Cl      11.31429998       5.92575005       7.51512003       0.33826416       0.42702295      -0.88706733
Cl       6.12979003       3.38928997      13.47479997      -0.23977693      -0.31643291       0.05605666
Cl       6.96202006      12.87010002       3.29911999       0.57388241       0.30474595       0.02825246
Cl       4.09731002       9.41888001       6.02953994       1.86850874      -0.54476365      -0.41666195
Cl       5.61107995       1.64700001       9.32513004      -0.16095111      -0.39322570       0.03399371
K       10.92669999      10.94530001       6.98224002      -0.65947255      -1.01996765       0.75768399
K       12.71380006       4.56328002       2.89889993       1.02405976       0.34038696       1.09106171
K        5.28504001       6.39599006       6.78505005      -0.29015600       0.94532650      -0.79289149
K       10.69120002       6.25011995       9.93558999      -0.69975028       0.00755449       1.82205944
K        7.12827006      10.01219994       4.76332997      -2.00134565       0.01851082       0.48143099
K        7.57762997       9.43565996      10.52770001      -0.38504355      -0.17843717      -0.17975649
K        1.89961000       0.82379106       4.15179997       0.00929447       0.13001325      -0.09513176
K        1.62772994       9.69259996       5.40089002      -1.40356479      -0.18389365       0.29316422
K        3.69097002       6.81568995       3.19916996       0.11986554      -0.01956150      -0.13784354
K        7.90991002      11.89570004       0.73773306      -0.89245352      -0.86215669       0.06600267
K       10.23360003      13.41149995       3.87069995      -1.60961296       0.39206024      -0.71458172
K        9.45482005       6.00016003       1.24078004      -0.85653312       0.92968094       0.48697517
K        4.30829994       6.46049006      11.21769995       1.00614205       0.03481494       0.42737926
K        6.43085000      12.89810005       8.08236007       0.28431765      -0.74736760      -0.22553060
K        0.86326897      12.06949997       0.06116199       0.14560988       0.24909840       0.49945910
K        9.74310002       7.29329998       5.55508004      -0.25640665       0.68733108       0.04815521
K        4.15698999      10.82860004       2.38215004      -0.36128065       1.51112319       1.36136912
K        1.96194004       9.40820996      11.31939998      -0.12817182       0.33389407      -0.35175870
K       12.54940000       6.73164996      12.87649993       0.31369647       0.15295136       0.18993122
K        5.25852998      13.40590003      11.81029999      -0.21107524      -0.06734288      -0.26680708
K        2.82176996       0.06874715       7.46022004       0.04160884      -0.29828220       0.11012685
K       10.97980001       3.59653004       6.43897996       0.22873494      -1.86644018      -0.46612415
K        2.73044996       2.36851004       0.18037093       0.01456314       0.07720619       0.17213992
K        9.03349995       1.73684006      11.78109998       0.05096284       0.15710626      -0.08434962
K       11.46759999       1.67684007       1.36049002      -1.03178082       0.43391965      -0.89186075
K        7.27297996       3.09929000       6.88293004      -0.36381029       0.10081995       0.06594250
K        3.72306001       3.34939004       8.08966995      -0.55096118       0.68926728       0.04780377
K        7.28592005       2.20504995       2.26567994      -0.17275332       0.05916105      -0.07377437
K       13.33370007       0.39109396       9.16373999       0.00046148      -0.15564560      -0.15258625
K        0.33495902       6.60522005       7.79430997       0.22116783       0.15333995      -0.07372930
K       12.51019999      10.71639995       3.31306996      -1.12517561      -0.87924651      -0.46444715
K       10.96829996      11.65070000      11.41270000      -0.48255514       0.27213381       1.23753316
64
Lattice="13.76443408 0.0 0.0 0.0 13.76443408 0.0 0.0 0.0 13.76443408" Properties=species:S:1:pos:R:3:forces:R:3 energy=-637.99032263 stress="-0.008283122664324925 3.543395856797164e-05 0.0007076156806194735 3.543395856797164e-05 -0.006744699847513841 0.0002812725352183594 0.0007076156806194735 0.0002812725352183594 -0.007348720750975024" free_energy=-637.99032263 pbc="T T T" config_type=melt 
Cl       1.38305997       7.70395004       1.80781995      -0.18233298       0.57419224      -0.75274438
Cl      10.58889999       2.29195005       3.95622994      -0.27717793      -0.55363547       0.22465653
Cl       4.32202996      12.05339999      13.19180004       0.17833198      -0.70214982      -0.95937999
Cl       9.96892001       9.32891003       5.83165005      -0.46175206      -0.11014838       0.10520942
Cl       9.27891994      13.27450006      13.47411601      -0.52353136       0.11906439       0.72573565
Cl       4.64773997       2.21410998      13.20389994      -0.63395933       0.44072328      -0.60448271
Cl      13.03819996       6.05231003       4.65217005      -2.01437293       0.27489304       0.76960406
Cl       4.55412007       9.45264004      10.07190000      -0.02414850      -0.68781904       0.26244194
Cl       6.15140997       0.74481197       2.62975005       0.75272408       0.25224180      -0.37205039
Cl      13.20859994      11.45320005       4.18952003       0.26468779       0.26244607      -0.57181620
Cl      13.67319997       2.60401001      12.21820005      -0.42913617       0.61584777      -0.73288388
Cl       8.38066000       6.34504004       3.64189004       0.55483792       0.20420020      -0.13726810
Cl       7.60667004      10.72220000       9.95288995       0.52833316      -0.25112969       0.02753690
Cl      13.60093807       1.39494996       7.11798996       0.29673160       0.21216255      -0.25673985
Cl       9.64150996       8.05806006      12.36479994       0.29206949       0.50894276      -0.52810300
Cl       4.20279005       8.47436000       5.62073006       0.22279711      -0.49560837       0.23699158
Cl       3.72172996       0.36846592       8.01505006      -0.62296467      -0.87856587       1.56648836
Cl       1.04596994       3.81525006       2.31949998       1.85389663      -0.65374050      -1.29700217
Cl       2.32484003       1.05378993       3.47145001       0.67504516      -0.75518706      -0.51857389
Cl       0.92104201      12.90520002      12.50970007      -0.35911376      -0.76680033      -0.10953705
Cl       5.16071001       6.59654006       0.60302302       0.04006016      -0.00510148      -0.16653883
Cl       3.65074003       4.08055994       4.72057007       0.43524158      -0.20829999       0.93544253
Cl       4.23649006       5.38591996      10.17640000      -0.03629359      -0.51575879       0.41913259
Cl      11.65469994       0.17276595       9.09871996      -2.47088729      -0.64161407       0.25439992
Cl       9.44676001       4.77887001       0.04486586       0.42121025       0.16486655      -0.04460532
Cl       6.67785002       3.76714997       7.78690993      -0.02877768      -0.78900908      -0.71684159
Cl       7.11102006       9.65371007       2.23349003      -0.26559088      -0.56168465      -1.98261133
Cl       5.05163994      12.06510004       4.64764004       0.33460672      -0.33740208       0.45002459
Cl       9.37654006       5.77125997       9.49818999       0.25271037      -0.36310894      -0.20664058
Cl       0.46899804      10.99969994       8.25067997      -0.47601103      -0.12688187       0.88834079
Cl       0.05986593       5.90440004       9.44006004       0.05503180      -0.22441368       0.10228990
Cl       7.52002995       1.83323997      10.47519999       0.15508474       0.60380720       1.06893172
K        6.47719994       0.05199790      13.06859996       0.43856366       0.31792848      -0.11314540
K        2.80953999       7.41695994       8.82727005      -0.43497604       0.54574007      -0.41031611
K        5.77041002       6.02736007       4.16029001      -1.11058682       0.16106113       0.01080367
K        7.10488993       9.20470996      12.51649997      -0.84375983       0.42975387      -0.15312930
K        0.31879104       0.29996102       9.83849002       1.69273682      -0.07861369       0.13256777
K        1.27662002       3.72009006       7.44526994       0.32264558       0.57239281      -0.10877477
K        4.00689999      12.61629996       1.98062003      -0.35586397       0.50530656       1.50581455
K        9.36513004       8.51833999       8.96911006       0.22897344       0.84597659       0.10462670
K        8.12118004      11.87739995       3.25432997       0.14323159       1.85639038       0.02270969
K       11.79960007       6.40845004      11.71309996       0.22069345      -0.47777654      -0.09626565
K        1.75744005       5.92142004       3.95803005       1.27019511       0.93930898      -0.12487042
K       13.50730000       1.14940994       4.31423007      -0.63856156      -0.20413922       0.06903842
K        2.50587001       4.91189997      12.66520004       0.08999217      -0.05455947       0.26055158
K        1.06287005       1.20038005       0.50266103       0.70857506       0.46561622       1.04839944
K        2.75001996      11.43649994      10.86709999      -0.18510808       0.15366383      -0.73912114
K       12.35909995       3.96901999       2.70864999      -1.94456418       1.00296787      -0.21735827
K        9.27685996       2.17948995       1.27941998      -0.41478575      -0.24920415       0.16068717
K        7.47429995       4.71309006      11.57349997      -0.29077581      -0.24726217       0.20690437
K        3.54794998       9.34745003       0.20396593      -0.12572420      -0.83681973       0.36014842
K        4.33595998       1.28519994       5.68643004       0.72137409       0.43804399      -1.66598559
K        6.41579006       6.26438996       8.53578999      -0.18065458       1.04404910       0.06038045
K        7.43538005      13.39009997       9.00999002       0.05495696      -0.52420343      -0.75964725
K        9.08291000       7.72006007       1.30520998      -0.14151801      -0.57700045       0.05606782
K       11.51110001       3.01408994       9.87692005      -0.14569608       0.00535998      -0.08079268
K        6.97448004       9.63789996       4.83904000      -0.79625158      -0.46147095       1.75489514
K       11.89069998       8.91357002       3.61163995       0.67912888      -0.47746519       0.05250520
K        4.39772003       3.23111006       2.08349995      -0.11766095      -0.13261223       0.05574394
K        2.21678000      11.43680001       6.24159000       0.81518990       0.13137296      -0.80838958
K        9.69586007       5.67262996       5.91486996       0.68940446      -0.49931174       0.61711087
K       11.74959994      12.59339994      12.78050003       0.71745257      -0.23441936      -0.66860388
K        4.62257005       2.24227999       9.94873998       0.27835554       0.52766496       0.25450848
K       11.67460001      11.65999994       6.45630994       0.14766782       0.50693183       1.13352918
64
Lattice="13.76443408 0.0 0.0 0.0 13.76443408 0.0 0.0 0.0 13.76443408" Properties=species:S:1:pos:R:3:forces:R:3 energy=-637.57421967 stress="-0.007207621812777359 0.0007199963693291211 -0.0036399511478878276 0.0007199963693291211 -0.009576552566557088 0.0011155381103411493 -0.0036399511478878276 0.0011155381103411493 -0.0036145232209844514" free_energy=-637.57421967 pbc="T T T" config_type=melt 
Cl       0.35895098      12.78839999       4.66097998       0.22313715      -0.21455635       0.11205533
Cl      10.59049997       1.60600003      11.98650002      -0.89895566       1.20859283       0.12633939
Cl       7.18718005       8.94275998       8.44955002       0.06409459       0.72384078       0.05706488
Cl       8.89979003      10.45470006       5.72563996       0.40626921       0.45498603       0.37431780
Cl       9.05020997       5.88240998      10.08790006      -1.30662285       1.29906528      -1.47842715
Cl      10.37229997      13.16280003       2.68378000       0.01788249       1.82033258       0.87240784
Cl       3.92911001       8.61952000       3.08786001      -0.58265244       1.27714732       0.11921173
Cl       2.15392003       5.09986006       6.08506003      -0.00659640       2.12017125       0.21709445
Cl       7.40042995       3.18280006       1.48901005       0.78281609      -1.06165022       1.13547416
Cl      11.86229996      12.48740003       8.87899004      -0.17739841       0.18178508       0.06550308
Cl      12.29749998       6.13116001       3.23893004       0.31206415       0.33171531      -0.36463560
Cl       0.67983806      11.93180002      11.97949998       0.46183280      -0.06667784      -0.04585643
Cl       3.09168005       9.55964007       7.79321996      -0.48941481       0.25760469      -0.30667955
Cl       3.81926997      12.91429996       0.91982799      -0.06300614       0.01883966       0.52541220
Cl       5.45680996      12.90349997      10.71840006      -0.61172395      -0.62642516      -0.01025714
Cl       7.54140006      10.07910004       0.91847495      -0.60474545      -0.28961251       0.43207777
Cl       6.62954002       3.74919000       8.24018004       0.06561047       1.33790048      -0.16146475
Cl      10.14839997       4.54265994       5.06765004      -0.16318437      -0.16324818       0.56291086
Cl       0.52244300       2.71689007       3.72476006      -0.43865697      -0.61051174       1.01974830
Cl       0.83433805       2.42650001      13.07979994       0.11729799      -0.52241025      -0.08486557
Cl      10.27550007       9.95878003      11.91579997      -0.14109019       0.67805572       0.62215170
Cl       3.31919005      13.73270004       7.34529995      -1.15498416      -0.46394566      -0.07698361
Cl      12.94730005       4.48056995       9.09406002      -0.27482416       0.25641464      -0.82174726
Cl       7.13239994       6.70855998       3.34005004       0.41529041      -0.71008359       0.22084669
Cl       2.63680997       4.99028002       1.49783994      -0.24519006       0.02874378      -0.53798919
Cl       8.40208998       0.27761198       9.09977996       0.07042389       0.22982588      -0.70765327
Cl       5.17330997       1.44915004       4.95384997       0.07483645       0.45215619       0.51039803
Cl       4.53165995       2.69892996      12.04280000       0.28330590      -0.42956566      -0.58183760
Cl      12.81600002       5.71448994      12.14120001       0.68612578       1.12988939       0.79880608
Cl      11.19749995       9.54703006       2.87171999       0.62969278      -0.03516463      -0.26697262
Cl      13.55390004       7.89785003       7.52228002      -1.39372764       0.72675975      -0.31306961
Cl       3.64671998       7.77496007      10.82190007      -0.08778618      -0.33965204       0.55299387
K        7.16297997       1.13948000      11.52440003       0.42869374       0.32128730       0.48849566
K        9.37496004       3.57808006       8.03087999       0.77161875      -0.05906952       0.54816175
K        2.99181000       4.99175997      12.35190005      -0.81887757       0.32531395       0.23284143
K       12.01690002      13.16790002      11.93419999      -0.32208263      -1.09816391      -0.18537399
K        1.10089004       0.35659905       2.07447998       0.37318162      -0.00417838      -0.30878912
K       13.45630002       3.88290005       1.49354006      -0.01688424       1.02101139      -0.75349903
K        7.08563005       9.42146002       3.89160000      -0.80284065       0.06839383      -0.57041712
K        4.14746005       5.94574000       3.64782004       0.25549334      -0.43601765       0.50433773
K        6.05962996      10.07200007      12.32669999      -0.38682645       0.18045529      -0.47310326
K        0.73109296      12.07049996       8.13163000       0.78222689      -0.40759294      -0.28072096
K        5.06344996      11.54160007       8.07779000       0.63522534      -0.41696031       0.33450222
K        9.91408003      11.29529997       0.97481099       0.33491799      -0.70672944      -1.25729844
K       10.10429997       7.83160002       4.89484005      -0.13748932      -0.52498193       0.13324783
K       12.73360006       5.04258005       6.11449995       0.97998343       0.44223312       0.03039328
K       11.00740004       1.95682999       4.17219006       0.48580481      -0.22097056      -0.43516779
K        5.48743996       1.40838006       8.21336995       0.07191099      -1.05978487       0.31062504
K       11.54819998       8.14289000      10.44570005       0.23120604      -1.08236635      -1.15970566
K        6.06881001       6.60611997       9.21404996      -0.22335838      -0.38111322       0.01762488
K        7.61174994       3.52092999       5.28421001      -1.38956772       0.14318088      -0.62325231
K        9.24671007      10.99439994       8.77217005      -0.06857015       0.29070072       0.07051551
K        0.57001605       8.78013994       3.17546004       0.09326749      -0.40568278       0.24476003
K       11.05310003       7.16959998       0.73528698      -0.15253536       0.27292298       0.26173059
K        0.90941396       9.18624002      11.73220004       0.54361378      -0.47092496      -0.14554279
K        6.54699994       0.20476592       2.96456000       0.17877459      -0.14743955      -1.08408726
K        3.08105997      11.59349997       4.76489994       0.18458725      -0.18227876       0.07547129
K        6.30805005       4.44887996      13.30089997      -0.33577993       1.02019428      -0.32475153
K       10.38599998       4.62383995      11.73020007       0.73137652      -1.90391481       1.48948589
K        2.73935996       0.24870295      12.13740007       0.60601865       0.00017524       0.06895148
K        2.30965002       2.60038996       6.06818001       0.32751257      -2.24244287      -0.24101894
K        1.66976006       6.52854995       8.78374002       0.74638535      -0.36342021      -0.03593396
K       13.11500000       2.28427996      10.63659995       0.07607179      -0.43939222       0.12586187
K       11.40230000      11.91400000       4.99324006      -0.15317884      -0.53276653       0.37528089
64
Lattice="13.76443408 0.0 0.0 0.0 13.76443408 0.0 0.0 0.0 13.76443408" Properties=species:S:1:pos:R:3:forces:R:3 energy=-634.03333086 stress="-0.015070991435353244 0.002485506003708627 0.0022009899309598014 0.002485506003708627 -0.007702960029361577 0.0014222206406071657 0.0022009899309598014 0.0014222206406071657 -0.004267204689696593" free_energy=-634.03333086 pbc="T T T" config_type=melt 
Cl       7.09625000      13.43300000       7.16655997      -0.48669154       0.14161375      -0.50509668
Cl       8.03109994       3.77192995       7.51859996      -0.30655050       0.48298818       0.09301391
Cl       3.12592996       8.19413994       7.98903005      -0.02993772      -0.31968303       0.09695919
Cl       5.94673999       8.12579994       5.38915997      -0.24453730      -0.12733733      -0.29635091
Cl       1.91011997       5.76979007       4.19869003      -0.35494320      -0.16428124       0.79906060
Cl       9.39548997       9.16063996       9.33969997      -0.03212425      -0.01449685       0.37732834
Cl       4.28890998      12.84159994       2.30367006       0.05813325      -0.34393614       1.19055115
Cl       4.22170004      10.64960005      11.62420002       0.98069724      -0.05005897      -0.95775305
Cl       6.30914006       4.90280002       3.29973003       0.94361382      -2.39421589      -0.01008141
Cl       7.12138000       5.59101003      13.40229994       3.37427428       1.76553451       0.05495468
Cl       7.68237002       1.09312001       2.61293005       0.34742491       1.01312245      -0.38666356
Cl       3.11727006       2.78751001      13.65120000      -1.25120761      -1.11438063      -0.70176064
Cl       1.18453994      12.91540002      12.43740004      -0.64080918      -0.37943589      -1.79582490
Cl      12.98440002       8.94719006       8.53397996      -0.42685670       0.20415404       0.37554326
Cl       7.03221001       0.95667607      11.65409995       0.08342837       0.20624641       0.84561050
Cl       2.84078002       6.98023000       0.28854094       1.95183410       1.17323705       0.07646797
Cl      12.34729998      13.72510001       4.76991997      -0.88561008       0.23887445      -0.20922027
Cl      11.42170001       4.36500005       4.39600994      -0.38750949      -0.05861432       0.51331943
Cl      11.91040005       6.09730996       1.23613001      -0.67471158      -0.08131304      -0.11335930
Cl       8.48262995      11.40409998      12.83469996      -0.21065038      -0.48109823       0.73827446
Cl       0.75531905       5.86629004      11.89539998       0.67204326      -1.12804707       0.73425064
Cl       3.53330999       2.00093000       7.52833004      -0.09670695       0.22925007       0.11802044
Cl      10.37550006       3.51556998      10.80889997       2.99031617      -3.02330850       0.31036542
Cl       1.79687997       2.09452003       2.95225005      -0.07560377       0.64288814       0.46525915
Cl      11.13540005      12.75389998       8.19021997      -1.39949897       1.43218182       2.38887000
Cl      13.33249994       9.73136006      13.18839995      -0.55230011      -0.72545402       0.17388494
Cl       9.91589996      10.31959994       3.87622004      -1.18284519       0.26035695       0.77997937
Cl       2.08630996      11.37839999       7.43423994      -0.50861035       0.47909525      -0.34720471
Cl      11.82890001       1.24928000      13.65450002      -0.86762863      -0.63663309      -0.10107362
Cl       1.34663006      10.73140001       3.37882996      -1.27771420       0.88485457      -1.10452447
Cl       5.80224000       5.38726998      10.30489994      -0.82027179      -0.00801753      -0.01025992
Cl       1.03332002       5.55972994       8.89277003       0.94334952      -2.23548352       1.11462785
K        8.19018005       7.78461003       7.13374996      -0.06907488      -0.38085875       0.05754833
K        3.86614998      12.70130002       9.15513006       0.41487113       0.09326771       0.05682145
K        5.24178005       1.75661997       3.64619005      -1.18052402       0.13969710       0.30112029
K        2.85248007       3.81146994      10.53739995       0.10445598       0.11177050       0.03414031
K        2.94658998       7.39033993      11.07589999       0.64487877      -0.06979883      -0.53009993
K        0.99310901       3.39023999       6.11358998      -0.25082606      -0.00413894      -0.31233753
K       12.02730001       2.58499995       2.25825004       0.57301881       0.19088679       0.70861021
K        9.69175001      13.37860006      11.33420005       0.03784155       0.81509519      -0.52025735
K        1.28064006      13.67789997       4.61520002       0.86424134      -0.87169656       0.20742972
K        6.86680996       8.33543006      12.42900001      -0.04213107       0.56597565      -0.35767119
K       12.22989995       9.85790999       2.72995004       1.38569149      -0.38947724      -0.91699335
K        8.62720000      12.41980000       2.14117995       0.65968531      -1.35222121      -0.23946398
K        9.02332996      11.58520001       6.66335001       0.25834500      -0.68723862      -0.11305884
K        8.75022005       5.20140001      10.82579994      -2.87226499       2.78079476      -0.50209607
K        5.82896007      13.41490004       0.23301494       0.63256685      -0.04251199      -1.19994325
K        0.95042206       5.32241995       0.99363702      -0.80159932      -0.92676493       0.65395552
K        4.27998994       5.07157002       6.68765002       0.24214894       0.48629286       0.38205101
K        8.56320007       2.01765998       5.40184004       0.55448916      -0.15526821       0.16836714
K        2.23221998       0.19253401       0.82313202      -0.25787873       0.53703268       0.84377661
K       12.29139999       6.90949994      11.14190003      -1.08906833       0.46629577      -0.35039296
K        2.21579006      10.25990001      13.26910000      -0.15401780      -0.18039033       1.75104446
K        6.57020003       1.60520995       9.03350999      -0.13453914       1.04122565      -0.34659511
K        4.42672995       6.52014993       3.32033002      -1.33607133       1.97984367      -0.51653462
K        8.92873994       5.58755006       3.11586004       1.22625478       0.60790409      -0.02956600
K        1.40651994      10.01799999      10.02469997       0.28751074       0.13933393      -0.41991906
K        8.49858995       3.17449997       0.33041799       0.46353932      -0.53448833      -0.36949311
K       13.33370007       1.62159995      11.43999996       0.16795345       0.34136120      -0.46124466
K       11.84410007      10.87419996      11.26420006      -0.70721313       0.12118942      -0.83697245
K        5.02925994       4.45397996      13.70390003      -1.78256379      -0.02121626       0.41743037
K        0.28196498       6.81084005       6.94023000      -0.60101567       1.57464421      -2.32547751
K       12.67760001      11.50650007       6.73966004       1.86012359      -1.43605571      -1.47241336
K        2.87551994       9.47886005       4.99768006       1.26937663      -0.80908761       1.53106702
64
Lattice="13.76443408 0.0 0.0 0.0 13.76443408 0.0 0.0 0.0 13.76443408" Properties=species:S:1:pos:R:3:forces:R:3 energy=-637.7359869 stress="-0.004259693994655998 -0.0025868211507983083 -0.0014543600747566221 -0.0025868211507983083 -0.00471077557993037 -0.001552977323285131 -0.0014543600747566221 -0.001552977323285131 -0.004700141490168472" free_energy=-637.7359869 pbc="T T T" config_type=melt 
Cl       0.35451002       5.00934996       3.41014997       0.08239799      -0.25054576       0.50426861
Cl       3.33833004       0.95319202       4.89865005      -0.08787254       0.09700047       0.24894312
Cl       2.37680999       9.44342998       0.21002407      -1.01041110      -0.48336842      -0.75427234
Cl      10.91849996       1.28359005       0.04851963      -0.28601468      -0.63394113       0.69332586
Cl       2.28776002       1.35459994      10.62029997       0.06196748       0.16884273      -0.08145267
Cl       6.04727996       1.04272993      10.42839995       0.03496525       0.00563273      -0.01802487
Cl       6.10890003       2.28607994       6.68435000       0.02207583       0.38424185      -0.37433128
Cl      10.34449994       6.83339996       5.39310004       0.18033950       0.56922111      -0.22787582
Cl       5.02550995      11.63090000       7.74848005      -0.70005868      -0.31468405      -0.98484818
Cl       4.33833999       6.80835007      11.35199994       0.16046973      -0.02699812      -0.12945881
Cl      12.06399998       4.48004002      13.67479995      -0.18546882       0.70243074      -0.10165524
Cl       3.43080006       6.64118996       5.11519997      -0.55217794      -0.25863985      -1.06412853
Cl       3.87038006      10.51790001       4.83346004       0.16002123      -0.42775762       0.47679749
Cl      12.38989994      13.39350006       6.23604995       0.94428294       0.73739918      -2.82335926
Cl       1.74234997       0.13976599       1.93937999       0.40017713      -0.72886041      -0.20953245
Cl       0.27990596       9.61442004       7.26535997      -0.13227072      -0.02974900      -0.28981720
Cl      13.04080007      12.17419997      11.55990002      -0.44281800       0.31362118      -0.73173338
Cl       8.46901995       5.61474005      10.51949999       1.22737989       1.08622540       0.27163982
Cl       6.06226998       6.03769000       7.01614003       0.36628775       0.38183482       0.14710355
Cl      13.48730000       9.47023002       2.85904006      -0.19114457       0.00624413       0.28099566
Cl       6.68456004       2.95013006      13.74342253       0.02967431      -0.21045161      -0.03611240
Cl       6.92511996       8.68844995       1.87282001      -0.18451434       0.00551381       0.21652476
Cl       9.07727002      11.82759996       3.60370998      -0.68343164       1.01971973       1.08542238
Cl      10.99199998       2.36940005       4.70404999      -0.93449709       0.08407301      -0.82893618
Cl       7.32649003       4.76765998       2.85439002       0.73940345      -0.35833862       0.05829137
Cl       7.62959993      10.59799993      12.76839999      -0.10988621       0.22610280      -0.15419207
Cl      12.63370000       8.91865006      12.65870006      -0.44376675      -0.56802712       0.06241442
Cl       9.91621999      13.60969996       9.43815999       0.37222081       0.91291734      -0.24207415
Cl       8.23722000      11.06609998       8.70489005       0.40905926      -1.15399960      -1.07803867
Cl       1.38746005       6.42484004       8.97710004      -0.04730038      -0.70221638      -1.38536321
Cl      12.29789997       3.72519997       9.37247006       0.01876331       0.55950315       0.14156112
Cl       1.72156003       3.41518004       0.21832099       0.03074258       0.49449582       0.08589490
K        7.73621002       6.37085001       0.02140824      -0.27882349      -0.26885253      -0.20126510
K        8.99263995       9.87677002       5.75615997       0.27747992      -0.33189471       0.23061374
K       12.43629998       1.85741995      11.63200005       0.93058794      -0.10677766      -0.47393295
K        3.81894003       0.68814600       8.02794995       0.05244077       0.13336227       0.21246521
K        2.58522995       9.37316007       2.93147002      -0.66036260      -1.26566855      -0.67172937
K       12.06570003       2.04088994       7.11930006       0.18959081       0.83177418       1.42054319
K        1.17628995       8.17577997      10.95330003       0.34677653       1.07286721       0.82829170
K        3.84243000       1.55732996      13.62597213      -0.21684479      -0.14255545      -0.47779364
K        4.77578004      10.48710003       0.27712899       1.55215288       0.23560217      -0.11942795
K        8.58738005       4.77280995       6.11071005      -0.37192383      -0.54299436       0.15078895
K        6.05085995       6.92611994       4.07511996       0.04714737       0.40018918       0.24173730
K        2.92645000       8.63961002       6.84058995       0.15086392       0.25063549       1.16034013
K       13.56060002       1.95414001       2.80591003       0.10935650       0.05588035      -0.33022563
K        0.23899104      11.82619997       0.38049700      -0.02901844      -0.37441218       0.18665113
K        2.07845006       4.29833999       5.83434003       0.13800851      -0.48013592       0.32263053
K        5.82637001      12.15829998       5.02128001       0.91505255       1.25654792      -0.11671620
K        6.32194002       4.14878997      10.44329995      -1.37171159      -0.66098604      -0.12145682
K       11.43369998       6.52625997      11.06549999      -0.00598999      -0.56560576       0.04858535
K        6.00305001      11.88599997      10.14200006       0.27082060       0.38356889       1.70725404
K       10.01179994      11.22990005      11.04740004       0.57462264      -0.16253057       0.46581676
K        5.00450006       3.08947995       3.41016002      -0.20140327      -0.18620243       0.17962944
K       13.38790000       6.81290995       5.63712997      -0.18717436       0.63997252       0.27062492
K        9.59029002      10.02649994       1.75337996       0.38393836      -0.68343607      -1.13939131
K        6.50699003       8.37855996       8.80793996      -0.01816817      -0.33400118       0.43589241
K        8.91011996       1.86715994       1.83340996      -0.42703040       0.14447823       0.46848094
K        8.18789006       0.48286598       6.86093998       0.65236105      -0.45036212       0.53179771
K       11.35629995       4.33620003       2.77075993      -0.34605121       0.85189934      -0.41905486
K        8.68893005       1.22820995      11.83910000      -0.18701635       0.12920678      -0.16563558
K        0.42020505       6.77026002       1.04120002      -0.14822339       0.07661929      -0.41614008
K        2.10108993       4.36990996      11.00560006      -0.02676504      -0.22193028       0.21078825
K       12.08630002      11.67260004       7.87558001      -0.51180629      -2.00699650       2.76450545
K        1.30616001      11.67759997       5.00097003      -0.85148212       0.71529617       0.05735601
64
Lattice="13.76443408 0.0 0.0 0.0 13.76443408 0.0 0.0 0.0 13.76443408" Properties=species:S:1:pos:R:3:forces:R:3 energy=-637.6264177 stress="-0.0069164420677083945 -0.0021787762189770183 0.004963252950245522 -0.0021787762189770183 -0.0018900207696751832 -0.0020484074648157544 0.004963252950245522 -0.0020484074648157544 -0.005045627002073903" free_energy=-637.6264177 pbc="T T T" config_type=melt 
Cl       7.54403003       3.80742003       3.80610002      -2.84012787       1.76640907       2.71079824
Cl       6.90012003      12.76340006       7.24268004       0.03105323      -0.40897598       0.49939168
Cl      11.96900006      10.82150007      12.94790005      -1.54285635      -1.47647960      -1.20949285
Cl       7.88074002       9.38293997       4.22855996      -0.18202930      -0.96635906      -0.11100906
Cl       4.34721998       2.86984005       7.48421007      -0.02122310       0.27906669      -0.14417228
Cl       2.89170003       4.65895000      10.82299998       1.64800286      -0.78580744       0.05670400
Cl       6.77104005       6.36406001       9.80337007      -0.08827037       0.10101223       0.00963756
Cl       9.29169995       2.23304007      10.38810002      -0.64598981      -0.03530906       0.12562698
Cl       2.38258004       8.90535995      10.06190000       0.22802856       0.14738039      -0.09214886
Cl       1.62196003       8.71750997       2.16152007       0.21830055      -0.02192917      -0.28600352
Cl      10.11830005       4.54165004       0.07196597       1.45915073       0.72572153       0.32837432
Cl       6.47916000      12.80050003       2.85291998       0.70889932       1.00146814      -0.38074538
Cl       2.74812005      12.08650001       0.54449197      -0.31256028       0.24538281       0.32923568
Cl       3.87184997      13.66780004      10.78909997       0.14526657       0.53282841       0.38477892
Cl      12.46110005       7.18028999      10.11750006      -0.51495792       0.06267989       0.39761011
Cl       9.90732004       5.49944998       6.71270996      -0.43931999      -0.00684848      -0.25403765
Cl       0.27958002       2.29241997       1.69176994       0.43286488      -1.11091410       0.07473619
Cl       1.80750997       5.34671995       0.03836588       1.71978772       0.61880043      -0.92675773
Cl       4.26903001       7.91903997       5.37637997       0.14200482      -0.02829046       0.42003948
Cl       2.99098001      12.08849999       6.55221996      -0.13840614      -0.33141980      -0.02172401
Cl      12.99939995       0.35006590       9.85657002       0.28653913      -0.07163654      -0.09714719
Cl       6.26449993       6.37953000       0.32757894      -0.11001893       0.03445750       0.33170860
Cl       7.67467997      11.06259996      11.57189999      -0.56997844      -0.21715949       0.38525955
Cl      11.69890002      12.91839997       2.74834001      -0.16846807      -0.22051713       0.02305906
Cl       9.76712997       1.25497999       5.63628001       0.59039117      -0.10862778      -0.02772362
Cl       0.59356906       1.43861006       6.13830003      -0.22991092       1.00508888       0.48329435
Cl      11.65429995       6.41636995       3.15305002       2.13120434      -0.00898591       0.00387555
Cl      12.57159996      10.22979995       5.92362001       0.48753298       1.22316464       1.30407464
Cl      10.38269996       9.65537997       8.37526007      -1.77320553       1.98890635       2.05581167
Cl       0.44311705       6.30364998       6.37353999       0.36401151      -0.09592581      -0.02898116
Cl       7.37538997       1.56735996       0.39703799       0.21504464      -0.66255283      -1.32336673
Cl       3.70745004       1.85566003       3.89482997       0.76538664       0.79638105       0.12127805
K       10.79430004       3.09187000       8.01980003      -0.06236873      -0.23902444      -0.01150680
K       11.23760001       7.99241004       6.79739000       1.25633416      -2.43818357      -1.43173893
K       13.44290007       4.85911997       1.23124996      -2.38266350       0.48461889       0.79873129
K        5.83334005       2.63551005       9.98843000       0.10143792       0.12569860      -0.21054845
K        9.15501003       6.70940003       3.08225004      -2.06069688       0.04231726      -0.09255872
K        0.35770502       5.00662997      10.43160004      -1.14883462      -0.04880493      -0.22711477
K        1.73569004       1.88039003      12.57339994      -0.07633051       0.12576244      -0.01582466
K        8.77203007      11.88910000       4.84669000       0.48213878       0.75793672       0.50867755
K        7.67374000       7.51748999       7.00041994      -0.06060605      -0.00544694       0.04833662
K        3.74650002       6.42952999       8.70220998       0.13965241      -0.05354270      -0.25815819
K        3.78977994       7.74788997      12.75700001      -0.12796902      -0.42494287       0.06864031
K        2.50018998       4.28325004       4.88074004      -0.39449983      -0.02023019       0.78172868
K        6.85315000       1.14299998       5.31448007      -0.51132970       0.50205354      -0.00099635
K        5.11859001      12.51339994      12.94529994       0.98459107      -0.30563010       0.44614901
K        4.99324997       2.01612002       1.48064995      -0.60432546       0.14186299       0.20384321
K        1.76314995       9.19553996       6.48018999      -0.06509205      -0.14988576       0.07628615
K        7.85066996       4.27972002      12.55609997      -0.78152618      -0.09069341      -0.85501727
K        4.76168994      11.32899999       9.21619996       0.16092541      -0.19383452      -0.44064482
K       12.63789994       2.92291006       4.25695998      -0.59218523      -0.03007796       0.15684241
K        9.01513007      12.95830004       9.95396000       0.32564755       0.28328073      -0.51739537
K       13.49260000      12.43059999       0.32415696       1.33088461       1.69809394       1.15904173
K       13.01509994       9.32055997       3.59404996      -0.09764866      -0.69178167      -1.60850880
K        4.95426001      10.79840005       3.61762995      -0.80577222      -1.16443968       0.58295761
K        8.91808998       8.17949004      11.20979999       0.09747199       0.08750135      -0.24193312
K        8.96744002      12.86210000       1.20900003       0.31319192      -0.12137733      -0.23663186
K        1.84289998       0.02098030       4.22142998      -0.35662435      -1.26517452      -0.70336900
K        8.91352005       3.03635006       2.05778000       2.90488474      -1.31537006      -1.83186416
K        5.01095998       5.95845999       3.45974997       0.55884611      -0.05213786      -0.63450705
K       12.81720000      12.98449995       6.93239996      -0.46213070      -0.04561308       0.21127717
K       13.35450005       8.43641999      13.64279998       0.32242396      -0.52784610      -0.04438728
K        2.59293005       0.61644596       8.48763002      -0.67465375       0.45298318      -0.94061822
K       12.83879998       9.93624999       9.90947005       0.29068019       0.51091867       0.11882749
64
Lattice="13.76443408 0.0 0.0 0.0 13.76443408 0.0 0.0 0.0 13.76443408" Properties=species:S:1:pos:R:3:forces:R:3 energy=-633.9895972 stress="-0.013793163564554742 -0.0014215355475994725 0.0010630066110623902 -0.0014215355475994725 -0.01426359669921355 0.0003403188343415877 0.0010630066110623902 0.0003403188343415877 -0.005964521761170365" free_energy=-633.9895972 pbc="T T T" config_type=melt 
Cl       4.43366998       4.60853005       1.17882000      -0.66690478      -0.45252837       1.54681252
Cl       4.10749006       7.18104001      12.49960000      -0.68777348       0.53223292      -0.76145696
Cl      10.63730001       2.88136996       5.20511999       0.16367892       0.05796818       0.07144727
Cl       7.08162997      10.90669999       0.25019199       1.06447777      -0.41819473      -1.20606002
Cl       1.24482995       7.57358006       4.22791000       0.13930078       0.10097674      -0.17049507
Cl      12.27610000      13.57590001       3.52100005       0.26792761      -0.82164717       1.17377671
Cl       2.93803002      11.82260002       4.70451000      -0.46660872      -0.95427873       0.47729355
Cl      12.87520002       7.96353997      10.78100001      -0.08955412       0.44490000       0.20117952
Cl       6.69582004      10.02910005       8.58534002       0.20163556      -0.15944648       0.15326908
Cl      10.87140000      11.56329997      12.51290002      -1.80401702       3.54415959      -0.64147764
Cl       7.81148000       6.68892006      11.32680002      -0.12838219       0.04507468       0.22348628
Cl      13.56769999       5.10516996       1.70021001       1.64927403      -0.76514351      -0.66849384
Cl       2.51233998       3.90396996      11.80899994       2.09865367      -0.82604643       0.00203365
Cl       5.91621006       0.12491196       4.84318007       0.55258166       0.87304769      -0.19498961
Cl       0.84047906       2.30426000       6.89225998       2.65450047      -1.94480644      -1.29964165
Cl      11.27939999       3.11640001      10.46539998       0.13668275       0.18968219       0.26897796
Cl       5.03332003       9.08936001       3.39105003       0.93205269      -0.23533276       0.53190557
Cl      11.47730006       7.70633005       6.37324006      -0.46091962       0.15419962       0.43017163
Cl       9.38402007      13.66049994       9.59737995      -0.69519109       0.48145831      -0.18863665
Cl      11.51730006      10.32369995       2.43298994      -1.51295150       1.36377666       0.20793512
Cl       6.26776995       1.97618003      10.62949998      -0.66292186      -0.25204956      -0.00825472
Cl       0.15912498      11.30500004       9.56763996       0.53582324       0.43828305      -0.04980019
Cl       1.11032996       9.78691001       0.18746595       0.04615453      -0.01505264      -1.69510441
Cl      13.39080003       0.84502393      13.27559998      -0.28397011      -0.67382026       0.40188885
Cl       2.72792997       8.50522000       8.93234003      -0.21757391       0.30176061      -0.57713626
Cl       1.07542996       5.29809998       8.24715999       0.28257995      -1.29819621       0.90282838
Cl       8.24075003       2.11908996       0.14039503       0.06219757      -0.03479610       0.22151313
Cl       3.92516003      12.82759999       0.49861704      -0.59641632      -0.71050863       0.21592121
Cl       8.32370001      11.30460005       4.15336995      -0.10467762      -0.67909187       0.72713309
Cl       8.93281999       6.69199999       3.79659003      -0.77694196      -0.04209213       0.37426080
Cl      10.92600007       6.87477007       0.25743304      -0.80645527      -1.04578766      -0.05515618
Cl       5.94292999       4.42403997       7.20959998       0.00356652       0.35711446      -0.33767542
K        2.12719005       4.29635007       3.68828995      -0.22657021       0.91922807      -0.28222481
K       11.26480005       5.29393004       2.86520006      -1.27261537      -0.16345925       1.13818254
K        9.78757001      13.06770004       2.64052003      -0.27514943       0.37611511      -0.75184934
K        5.91039996      11.88940006       2.37854004      -0.53479316       0.72942357       1.29498062
K       12.85110001       8.49058001       1.35740995       1.31962812      -2.12247301       0.12470787
K       12.54440007       3.22272999       7.91000004      -1.95437867       1.22763658       0.08651224
K        4.40697001       1.47150995      13.15409994       0.42168143       1.14962201      -0.30273153
K       10.56120003       9.21270999      12.68569996      -0.82809278      -2.95890197      -0.23456165
K        5.41685002       6.72917002       5.20031001      -0.20433752      -0.47974608      -0.19479625
K        5.55314999       8.54282994       0.60909204       0.15437130      -0.43949198      -0.03128976
K       10.43599998       6.63451999      10.25309997       0.22023828      -0.34261787      -0.60010104
K        1.20748993      12.84090002       7.25071998       0.07147715       0.10151788      -0.25273650
K        3.26982005       0.62824002       4.48955001      -0.26303744       1.25777623      -0.20897490
K        6.72576002      12.47270003      10.69180001       0.38093679       0.27257591       0.24172065
K       12.24490002      10.09429997       5.10602997       0.34358276       0.16715077      -0.06253393
K       10.53220002       0.99754199      12.50769996      -0.38932557      -0.59138228      -0.44136545
K       13.66026608       1.49863001       2.15919993       0.54351430       1.20848369      -0.10296310
K        0.69703301       7.65318997       7.20251996      -0.63349599       0.85964904      -0.60296965
K        3.73286002       3.51739005       8.85366004      -0.22112464       0.04671414       0.16145044
K        6.56671006      11.79919994       6.40693003      -0.24912886      -0.17042595       0.13995402
K        8.68789001       9.02513998       2.32676994       0.22883774       0.27966108      -0.62912517
K        5.13547994       7.68877998       9.66660005       1.17845167      -0.61870687       0.40966298
K        0.39189395       2.49740006      11.40150001      -0.91609423       0.10031486      -1.29132302
K        2.38021999      10.02039996      11.15170004      -0.19372563       0.01336899       0.65154370
K        5.70354006       4.82633006      12.63170003       0.70157284      -0.42001603      -0.94722612
K       13.34109996      11.78699997      12.69979998       2.16980183       0.31651527       0.03563861
K        9.94601999       4.22190003      12.74629995      -0.48516060       0.53166162       0.37621881
K        2.69748001      10.08779999       2.19134002       0.27215895       0.34672463       1.37702787
K        8.05852998       8.65027002       5.78666003       0.60623251      -0.05275197       0.30821306
K        8.35485994       1.83895000       6.66654997      -0.23935960       0.28997216       0.12662308
K       11.19600004      11.72200004       9.27395002      -0.08606199      -0.69533565       0.09912148
K        1.20901999       6.16707995      11.90329994      -0.46986213       1.30538228       0.08775854
64
Lattice="13.76443408 0.0 0.0 0.0 13.76443408 0.0 0.0 0.0 13.76443408" Properties=species:S:1:pos:R:3:forces:R:3 energy=-636.71583309 stress="-0.008701550159331847 -0.0008838644326821524 0.0006991490485241764 -0.0008838644326821524 -0.006600557711745635 -0.0020455032406874077 0.0006991490485241764 -0.0020455032406874077 -0.002966156551221597" free_energy=-636.71583309 pbc="T T T" config_type=melt 
Cl       5.36308999       6.00686001       4.54119994       0.30020594       1.61497361      -0.46528845
Cl       2.91165007      12.11519996       7.83485999       0.09914497       0.01383133       0.95763057
Cl       4.71824993       7.96510003      13.62620007       0.08561945       0.57957276      -0.07867030
Cl       4.77346004      13.52849998      11.64739998      -0.21076231      -0.39982789       0.07381450
Cl       6.24727994       0.14473096       6.96834000      -1.31538704       1.54008758       0.35954995
Cl       9.69914000       9.24126004      11.18700003       0.55725923       0.95563652       0.15220946
Cl       2.76588003       0.28836586       1.62028999      -0.67794970       1.12335213       0.21498727
Cl      11.37859999       0.31202596      11.72050000       0.08588704      -0.20771605      -0.04217072
Cl      11.25999998       3.55602998       0.42486101       1.25251452       1.32144413      -0.43982859
Cl       0.94319697      10.71869998      11.90750002      -0.25446395       0.23478452      -0.04761598
Cl      13.27989999       3.75227998       4.64925997      -0.16752715       0.14766957      -0.16152049
Cl       0.40716696       7.09522001       5.55671002      -1.62379214       1.09786992      -0.14557437
Cl      12.28060001      11.85329994       6.05675994       0.29964981      -0.08790272       0.52467617
Cl      12.79620002       7.49265001       9.80024995       0.62749727       0.15277676       1.10673914
Cl       6.39370007      10.45470006       9.62660005      -0.13113184       0.05712064       0.01674935
Cl       1.48543006       0.95889503       5.02805995       1.11696886      -0.50980920       0.21515661
Cl       7.09703994       2.64010999      12.27069994      -0.65429734      -0.48115174       0.82575811
Cl       4.57340005       7.05440997       9.79417997      -0.46574055       0.47438819      -0.53621205
Cl      12.18869997       3.51155999       9.24860997      -0.33677404      -0.78936551      -0.14617297
Cl      11.61229998       8.87722999       0.57519602       0.43225544       0.07502741       0.82333727
Cl       8.13087007       6.00425000      10.77230006       0.68912430      -0.34353891      -0.29561758
Cl       7.58936002      11.68830003       0.15204896       0.33659260      -0.19982909       0.38552265
Cl       3.46543000       3.30693997       6.62109994      -0.74516844      -0.18512997       0.40239598
Cl       9.11014995       5.22522996       7.11445002       0.06541875      -0.20583711      -0.22689512
Cl       9.23186003       9.90793999       6.06875000      -0.04999550      -0.94014547      -0.37266813
Cl       3.85728995      10.69319999       3.43701002       0.46367499      -0.37553366       0.18978764
Cl       3.21859006       5.59053997       1.89477001      -2.58131136      -0.43677871       0.26164386
Cl       2.19350999       2.36630002      11.63910002      -0.40374694       0.20663712      -0.11395225
Cl       6.21248001       2.51126002       3.05853007      -0.16213272       0.10200496      -0.11947929
Cl       9.01768007       7.42607997       2.92115000      -0.56781855      -0.53486920      -0.18840363
Cl       0.44623194      11.34990004       2.89949001      -0.43623485      -0.39265698      -0.64255749
Cl      10.24540001       0.33783303       3.53297001       0.02829742       0.26070941      -0.17178085
K       10.35260003       3.02795004       5.21594998      -0.06216758      -0.08217744       0.13852532
K        7.48050000      12.41709997      11.06760003       0.28249149       0.62686903       0.54633861
K        7.71748997       7.95668996      12.59469999      -0.89594119       0.82179289       0.67552943
K       13.26568807       4.20855005      11.67189998       0.71646225      -0.46988918       0.26119913
K       12.56290002      11.74469993       9.38542005       0.12970145      -0.08784879      -0.19628790
K        4.23995994       0.78150396       8.86644996      -0.24866520       0.00979912       0.46831344
K        3.39939994      10.10649994      10.29089999       0.26422590      -0.03000136       0.05684026
K       13.49339998       0.56182593       3.15039005      -1.35811954      -0.48725878      -0.60244658
K        9.81368996      10.03999996       2.81683996      -0.16879013       1.12761698      -0.06776767
K       10.28830003       7.90180001       8.83168003      -1.08750891      -0.32899075      -0.83526312
K       11.47549995       6.36767001      13.14550006      -0.46402398       0.29817489      -0.61373689
K        5.94890004       8.85492004       3.86679002       0.54118253      -0.32714455      -0.21181918
K       12.48849995       9.22610994       4.60709001       0.07174991       1.01842282       0.42083786
K        1.00654998       2.10386003       7.40535996      -0.76787864       0.18587138       0.72831032
K        2.68772007       5.98291003       5.29218994       0.99505097      -0.85990105      -0.31972720
K        4.41918994       0.70298695       4.75873994       0.11345393      -0.01191647      -0.26533617
K        2.08068003      11.63910002       5.31972996      -1.06088454       0.13073231      -0.22585760
K        4.28915003      11.96240001       1.02866998       1.22342256      -0.65942454      -1.08129752
K        8.16057000      12.40219997       6.45264997       1.87869790      -0.73644416      -0.47254726
K        9.23455002       3.37219000      10.99700005       1.65453891       0.08829847      -1.03313666
K        0.90511505      13.42029997      13.11229997       0.01951907       0.35048086      -0.36682673
K        1.47320999       9.31977003       0.67925101       0.11954619      -0.20539300       0.25055883
K        9.24364005       1.96999994       0.87385299      -1.34034489      -1.26412710       0.53574396
K        5.81750998       8.73999995       7.71526000       0.10081431      -0.83973261      -0.53681219
K        2.21633995       3.03621998       2.83626006       0.00435150       0.10316410       0.25374057
K       10.80069995      11.43440004      12.94120007      -0.23564998      -0.19092542       0.12566304
K        4.53841003       2.04355006      13.45149995      -0.15522073      -0.14545127       0.38416150
K       11.69730004       6.52490004       3.14435998       0.34703753      -0.75220062       0.13631870
K        5.95251004       3.99825000       6.06262001       1.99504010      -0.79391724       0.43638480
K        5.61930998       4.75556999      10.92510001      -0.52530475      -0.05993419      -0.01575714
K       13.28750002       5.62956999       7.90293998       0.18378623      -0.09187515      -0.86026452
K        5.67840001       5.90372999       1.59495999       2.07355118      -0.20446348      -0.02913170
64
Lattice="13.76443408 0.0 0.0 0.0 13.76443408 0.0 0.0 0.0 13.76443408" Properties=species:S:1:pos:R:3:forces:R:3 energy=-633.19878305 stress="-0.01579883882424956 -0.0002704610180765409 -0.0010718368297887974 -0.0002704610180765409 -0.011626557520667576 0.0011580426501752136 -0.0010718368297887974 0.0011580426501752136 -0.003454627179141023" free_energy=-633.19878305 pbc="T T T" config_type=melt 
Cl       4.26284000       9.72923001      11.55249998       1.71860605       0.66097514      -0.53533324
Cl       0.45165706       1.66796999      12.48290002      -0.37514341      -0.27147400       0.93489303
Cl      12.01120003       7.21838994       7.97496996      -1.08763735       0.33428581      -0.70742721
Cl       7.28357004      13.07429995      13.46399310      -0.54841489       0.06913586      -0.31319005
Cl       3.92387994       6.87844999       6.37450006       0.09552731      -0.09276718      -0.38222112
Cl      10.81080001       8.93395996       2.33934995       0.01248323       0.36935456       0.47441305
Cl       1.82838002       2.10357001       9.68056998       1.58174366       0.89096568      -0.96861706
Cl       6.92328006       9.62093007       4.69853995      -0.68483061      -0.36272479      -0.58805982
Cl       6.27220994       8.10267004      13.75722523      -0.33956197       2.08298261       1.07105956
Cl       5.00727001       4.16622001       0.50931297      -1.56743156       1.34621054       0.47725443
Cl       2.94138000       6.57281004      10.95660006      -0.05728548       0.57624553      -1.32264970
Cl       7.76054994       9.11728998       8.88713997      -0.17544516      -0.35775835       0.22980568
Cl       0.72996194       9.11280002       5.66425003      -0.27833507       0.12904802      -0.16271700
Cl       0.81441004      12.16180000      11.37110002      -1.02464861       3.00667416      -0.79359682
Cl       1.03971002      10.50450006       0.51936899       0.04737492      -0.84176087       0.67963198
Cl      13.25920007       6.01844003      12.26040001       0.21994563       0.38200028       0.01817069
Cl       4.27139006       2.56118005      11.76440001       2.29574126      -2.51333551      -0.23070090
Cl      12.62299994      13.54968510       3.05995001       0.22328503       1.59705324      -1.19911374
Cl       6.55101998       5.01493997       8.10186001       0.50641547      -0.50520090       0.84929585
Cl      10.43519999      11.23580004      12.52549998      -0.18564835      -0.23198478      -0.06828094
Cl      11.77240003      13.01420002       7.08187002       0.18892575      -0.64929410       0.11297727
Cl      10.00139995       2.45106003       7.22535998       0.95313366       0.29824482       0.39976981
Cl       0.15860207       3.46200004       5.95501998       2.21751350       1.95189386       1.41702239
Cl       6.63915998       0.11702398       8.44569006      -0.00538311      -0.34494648       0.50881299
Cl       7.86115997       3.54023997       3.45897999      -0.73800473       1.06389092      -0.35202932
Cl       3.44633997      12.79500003       3.42116000      -0.05314300       0.09174684      -0.11256218
Cl       9.74253003       6.02100998      13.39510004       0.40411279      -0.03516687      -0.26471668
Cl      12.85739999       5.28408999       3.23073002       1.28231689      -2.30315220      -2.47206854
Cl       9.13690994       2.25195997      12.18270006       2.67659858      -0.40607121       1.46036679
Cl       2.72708002       6.81109002       2.17870001      -0.12096145       0.07341770       0.62123960
Cl       8.71610999      13.41530004       4.25769004      -0.07548276      -0.11797990      -0.29416702
Cl       5.06101999       1.80002005       5.54488995      -1.40126559       0.16687609      -0.26317308
K        8.22003001      10.87800004       1.38018004       0.40312520      -0.22914786       0.36027417
K       12.24740005       1.97887002       5.03522998      -2.72586986      -1.83109266      -0.46874178
K       13.25249995       3.84396997       0.19026495      -0.44666585       0.08406480       0.74535283
K        1.96341999      13.04369996       0.93138406      -0.30995021       0.59678476      -0.35587246
K        2.40129004       4.09875006      11.81850001      -2.51700072       0.52568386       0.55602557
K        7.56782997       2.42023995       6.02661996       0.78161036      -0.05856956       0.59327289
K        6.95720003       5.72482001       0.00014466       2.38151883      -1.48413383      -0.65151478
K        6.98110996       2.46321003      11.02729997      -1.64071131       0.13361277      -1.63122908
K       11.48680000       6.86353994       4.41471994      -1.91095850       2.05807786       1.70416918
K       12.44079999      10.23039994       7.93186002       0.31697110       0.12232500      -0.07161811
K        1.71543995       9.95113003      11.55630007      -0.65682119      -2.77910614       0.11832367
K       13.31060004       0.98332498       9.51631005      -1.43686880      -0.80978144      -0.12945248
K        7.24806001       9.64414007      11.70380002       0.46948672       0.47253809      -0.07665478
K       13.18930000       8.04109994       0.86247600      -0.28108368      -0.23680228       0.06249980
K        5.63139997       6.04008006       2.96569997      -0.12809113      -0.15791513       0.22332483
K        4.71507998       7.92111000       8.98300003       0.15658649       0.03827596       0.13455644
K        9.70818006       2.21372994       2.04885005       0.13945345      -0.50384078      -0.36574724
K       10.84530002       5.80770998      10.49610004      -0.64732883      -0.29535158       0.23169561
K        4.33165997      13.08730004      10.95969994      -0.09982294       0.31920080      -0.20580565
K        4.21680995       3.71634999       8.54549997      -0.80050232      -0.62398932      -0.05032797
K        9.14899002      12.86059995      10.47060005      -0.23585081       0.58026561      -0.09058693
K        7.17873998       7.08721007       6.62471999       0.14249401       0.71544118      -0.71452151
K        1.28636000       6.02511000       4.77048995       0.61460890       0.39828843       0.56334242
K        0.19012400       6.86408997       9.70643996       1.39918277      -0.24421495       0.05716642
K       12.67429999      11.21339994       4.15376003      -0.11123895      -1.33559476       0.57702985
K        5.89492997      12.84369998       5.11370006       0.26225953      -0.11269658       0.20215526
K       11.71719997      13.50920004       0.14868700       0.21186041      -0.20920167      -0.40989637
K        3.45690004       9.69851000       3.40377001      -0.23030754      -0.13536576       0.22909924
K        2.32585998       1.99807994       4.95708007       0.08458612      -0.52950090      -0.08203412
K        8.54325994      10.56209995       6.67166001       0.65862253       1.21646908      -0.19800466
K        3.55026007       7.57533998      13.40710001      -0.11357063       0.21141013       0.30847448
K        5.19949997       1.80351003       1.34192001       0.56517619      -1.95351765       0.61115656
64
Lattice="13.76443408 0.0 0.0 0.0 13.76443408 0.0 0.0 0.0 13.76443408" Properties=species:S:1:pos:R:3:forces:R:3 energy=-637.03858003 stress="-0.0038999810438377362 0.0008438114640100983 0.000510490815670252 0.0008438114640100983 -0.00789933364754788 0.00019850561159804936 0.000510490815670252 0.00019850561159804936 -0.0028621538290268377" free_energy=-637.03858003 pbc="T T T" config_type=melt 
Cl       1.77968999      13.09899995       5.18227998       1.36848991       0.44379135      -0.71390595
Cl      12.17680007       1.04708005       1.90306997      -0.59316580       0.51124058      -0.24727558
Cl      11.26959998       7.35280996       0.71833498       0.06481271       0.56705304       0.91789623
Cl       7.76939001       2.16673995       4.10626998       0.49996398      -0.26707643      -0.21583557
Cl       9.88253002       6.45794997      11.28649996       1.18332351       0.60569886       0.01482748
Cl      12.15419997       1.33811001       9.52909996      -0.30340211      -0.02345731      -0.24983894
Cl       1.76303006      11.11279996       8.65356000       0.05762499       0.11036321      -0.05691131
Cl       3.96453003       3.13842999      10.83499995       0.27587691      -0.06896645      -0.64413603
Cl      12.61159996      10.56639996       3.91794004       0.58864265      -0.21255907      -0.45481753
Cl       7.50781002      10.58390006       6.24656006      -0.54087069      -0.66281830       0.53979809
Cl       9.89437005      13.14449994       6.78330995       0.06700743       0.54979915       0.46157059
Cl       9.61702000       4.88492993       7.96444003      -0.92604928       1.06438173       0.02275155
Cl       0.76841894       7.03996998       8.65732994       0.27829438      -1.31818033       0.67351775
Cl      10.84040002       5.66904005       3.92304004      -0.51562797       2.22617978       0.60931069
Cl       1.19391999       6.25837999      12.07089995      -0.52372280      -0.06826221       0.22862127
Cl       7.60830002       2.20682997       8.53102997       0.05253154      -0.60809003       0.70925537
Cl       5.13482007       8.23954000       0.34454595       0.39603148      -0.10187270      -0.33954181
Cl       4.49300997       1.99573998       6.58653002       0.31389983       0.00822837      -0.54771754
Cl      13.48100002       3.82634998       6.28839004       0.73481045      -1.14091094      -1.18356582
Cl       8.43411996      11.60620000       2.40742003       0.15719412      -0.61693325       0.23991763
Cl       6.20169007       7.01425994       9.18372002       1.36784635       0.61771838      -0.35300835
Cl       3.81475000       4.09585994       2.21493006      -0.05910483       0.59836858      -0.52755601
Cl       1.89598005       6.47647002       4.54417994       1.29657420      -0.27969018       0.89460470
Cl       5.90497993       6.09122002       4.48372999       0.75085576      -0.05776966       0.46092401
Cl      11.98289994       9.71417007       7.91141007       0.37434611       0.08088382      -0.22996434
Cl      10.53860007      11.81699996      12.32629999      -0.43927532       0.41886396      -0.53557897
Cl       1.31393003       0.57986106      11.80530006      -0.23625541      -0.01053347       0.18954165
Cl       5.81053995      13.41270007      13.32340000      -0.19318565       0.57872876       0.46663203
Cl       6.76279007      11.96370006      10.43710003      -0.10994750       0.24593390      -1.34873436
Cl       3.98811002      11.57090000       2.43971002      -0.13517695      -0.14240813       0.44335422
Cl       0.03266589      10.98780004      12.96779998      -0.06691711      -0.60167565       0.20635248
Cl       9.26384004       3.51733004       0.25094394      -0.22117247      -0.47879273       0.15999356
K        8.47531994       7.04236004       6.37315004      -0.27539411       0.08373454      -0.18726931
K        2.65482995       3.55655000       4.64646001      -0.65034941       0.03108659       0.74923857
K       11.55309998       5.05352994      13.39040004       0.47849776      -0.34289923      -0.78731637
K        9.37548006       9.87714000       8.74784004      -0.95307898       0.22527170       0.57310642
K       13.64579994       7.63226005       3.51630004      -2.24085164       0.36985834      -0.95095686
K       13.35040004      12.13299999      10.52100004      -0.32042110       0.53900540      -0.54075675
K        4.07539993       7.46388000       2.77420999      -0.06692088      -0.12354395      -0.01853352
K       13.07269997       8.37053997      10.63040004      -0.08276522      -0.01300297       0.64213232
K       11.05259996       3.23237005       3.37730004       0.03644263      -1.64765745      -0.17707035
K        0.31658804      13.08420001       1.24660997       0.61900162       0.35354815      -0.15965719
K        9.05845005       0.02796589      10.01159994       0.66505031      -0.28697173      -0.22680519
K        3.12503995       4.43245004      13.21890001      -0.11719414       0.25123750      -0.18675312
K        5.13550994       1.80603002       2.78473001       0.32441233      -1.01848370      -0.17507219
K        0.91880006       8.66827005       6.71152994      -0.03230936       1.29935495      -1.00860348
K       11.14279995      10.02240007       0.81193699      -0.20035412       0.95607606       0.22199235
K        4.78286005      10.88590000       5.43176007      -0.75517314       0.02257616      -0.42085797
K        6.85245999      13.45510003       5.73720002       0.39560211       0.47824780       0.22626249
K        9.97818995      10.90399996       5.15132996       0.59690052      -0.21895705      -0.88408612
K        7.37552004      11.04640005      12.90770005       0.11855417      -0.64976593       1.13403197
K        9.14627003       0.40601405       1.72881994      -0.01076412       0.54034306      -0.34729330
K       12.20849997       2.07979002      12.32640006       0.26331767      -0.47603560       0.12786847
K        6.97766995       3.78143993       6.34851997      -0.52040615       0.60764672      -0.14661818
K        3.59312004      12.48580005      10.86550001       0.06895175      -0.16618219       0.27389706
K       10.16939996       2.44109995       7.08881005       0.67133685      -1.21843557      -0.33933163
K       12.34829996       4.99601002       8.29749996       0.15074714       0.75758289       1.33476705
K        7.65413999       5.13742994      10.73350005      -0.55227250      -0.65839843      -0.17790027
K        1.44529999      10.50510005       1.47869003       0.98872310      -0.88877349       0.62607370
K        2.14830002       1.84723000       8.17190996      -0.45706612      -0.00927207       0.42260119
K       13.38320000      12.59070004       6.47791005      -1.34499790      -0.46247669       0.74989575
K        3.77052997       6.28911996       8.69230000      -1.49355165      -0.54029922       0.09933342
K        6.28174993       1.27659001      11.02840002      -0.40243285       0.21285977       0.04974189
K        7.98227006       6.01495997       1.98765999       0.13451301       0.02548900      -0.08654206
64
Lattice="13.76443408 0.0 0.0 0.0 13.76443408 0.0 0.0 0.0 13.76443408" Properties=species:S:1:pos:R:3:forces:R:3 energy=-634.59441915 stress="-0.009648417951749456 0.0008891124246268868 -0.0008081164043908637 0.0008891124246268868 -0.00877831016718828 0.001566629744445214 -0.0008081164043908637 0.001566629744445214 -0.0073693085935210775" free_energy=-634.59441915 pbc="T T T" config_type=melt 
Cl       6.49653994       2.09973001       6.90626007      -0.13243725       0.43078180      -0.29552544
Cl       7.55497000       0.11916586       9.68173996       0.08427122      -0.15724931       0.60899815
Cl       9.14473997       0.67200995       0.85346800       0.09674572      -0.28179000       0.92503351
Cl       3.07419000       2.38367005      12.25470002       0.97438571      -1.10443093      -0.57188826
Cl      12.64279994       5.07186003       0.29524202      -0.15468418      -0.01727644      -0.06108659
Cl       3.97737005       5.14063004       9.95070994      -0.68074327      -0.15303952      -0.65285200
Cl       3.61315995      11.07390001      10.60459998      -2.77531292       0.25255219       1.09817823
Cl       6.50653003       4.55269999       0.96670401       1.28850912       1.14514964       0.22530981
Cl       4.76246997      10.33489993       7.13835003      -0.59851237      -0.30580652      -0.30566735
Cl       8.11052995      12.65680002       3.62776003       1.07700931       0.75332866       0.70847600
Cl       6.50762994       9.46605004       4.73375006       0.22590290      -0.52064702      -1.35939819
Cl       0.52206902       8.32576000      11.98360000      -0.54071425       0.20737489      -0.09340624
Cl      10.86980002       0.86266705       7.08666004       0.20093705      -0.13266032       0.27403082
Cl      11.42349998       2.62955005       2.90291006       0.32366969       1.54909376      -0.05136308
Cl       4.42130993       2.14874998       3.51914997      -0.30492724       0.98885214      -0.87738286
Cl       2.86806994      11.16629997       3.53493007      -0.05511233       0.17363861       0.13084978
Cl       6.08080998      13.55539995      13.70490001      -1.26805231       0.32707607       0.15617527
Cl       1.61403007       6.67117000       6.38774998      -1.30066833       2.99497145      -0.23181772
Cl       0.45330603       3.35320003       5.34135994       0.92461754      -0.84912168       0.16416036
Cl       9.71960000       4.95089007       5.12568998      -0.80855184       0.44642486      -0.05203251
Cl      11.95499998      11.64180005       3.11127001       0.39586619      -0.06971304      -0.12524748
Cl       0.08566750       7.97935998       3.24982996      -0.08230261      -0.92589530      -0.80583750
Cl       2.74689007       0.37268898       7.82934995      -0.32082426      -0.47659542      -0.46156634
Cl      12.44110005       4.57483004       8.97862005      -0.06031693      -0.40058120      -0.04157767
Cl       9.88134999       8.30943001       1.57062998       0.11140245      -0.24532882      -0.13038900
Cl      10.64519997       9.82431004       6.89067996       0.24634959      -0.16272506      -0.30459148
Cl       3.42251002       6.08429995       1.06759002       0.07557610       0.04784158      -0.04258520
Cl       7.36984001       6.97153005       9.42917003       0.48303448      -0.24427587       0.97106279
Cl      10.75920004      11.33669995      10.80399997      -0.35858538      -1.02402586       0.23253539
Cl      13.61250005      13.56430003      11.47580002       0.24698217       0.33832935       0.05377418
Cl      10.59330007       2.62012995      12.03800007      -0.28946233       0.53766767      -0.60052383
Cl       6.19997006      10.21610007       0.07874798      -0.64903577      -0.81211586       0.11104046
K        0.40168803       1.82311994       7.85799002      -1.39185570       0.69220796       0.43544302
K       11.40910005       5.45276005       3.16910004      -0.29768193       0.63643649      -2.95888861
K        0.13652405       9.82239995       5.10954003      -0.29184019       1.12010286       0.46624976
K        5.79039006      10.75619994       9.58347002       2.71712753      -0.27146789      -0.39869823
K       12.69709994       9.66914000       0.64501404      -0.17910906      -0.24255854       0.22899560
K        2.94970996       4.73406995       6.82376004       1.81537467      -2.88355899       1.21887622
K        7.02036998       7.75823999       1.39815997      -0.04570029       0.07701564       0.25217756
K        4.34709004       5.05499998       3.41957998       0.09239402      -0.19001443      -0.09578646
K       10.73129995       0.16496399      10.29679998       0.19402254       1.32797468      -0.21810415
K       10.66739994       0.42414402       3.95032004      -0.41223722      -1.68065952       0.93031338
K        5.76981994      12.09829999       2.69282997      -1.47007949      -1.41056883      -1.37054765
K        9.14665997       3.61125000       7.35443004       0.07308405      -0.75939840       1.07586965
K        4.87484996       1.26944998       9.30785994       0.34803353       0.35875895       0.49684584
K        0.59351097      12.08410005       9.04303994       0.23636613      -0.36744553       0.33989053
K        4.97452002       2.50659002       0.42289503      -0.77924186      -1.03218453       0.40099574
K       11.79460000       1.37348997       0.49953402       0.81057771      -0.24845192      -0.50365188
K        6.15272007       5.59568994      11.58640000      -0.08790437      -0.00364234       0.33026863
K        8.24851000      11.89900007      13.05890002       0.95343990      -0.13893685      -0.20635576
K        3.06383997       8.24121995      13.05930002       0.41092965       0.42211225      -0.11394732
K       13.08140005       5.74256003       5.05596996       0.33495575       0.79433243       1.38292599
K        7.85771996       1.60457005      12.47179997      -0.09556656       0.54166335      -0.90735280
K        8.31250994       3.08059996       2.93609997       0.30406956      -0.21078082      -0.06271918
K        6.96788000       7.75716995       6.92522002       0.13328317       0.40307450      -0.52705972
K        2.64029003      12.70740001      12.66350000       0.04103654       0.48627504       0.26067046
K        0.28658405       6.79723006       9.50934001       0.36351768       0.35059221      -0.06567430
K       10.44679997       5.76032000      12.07750000       0.47524489      -0.16303203       0.04744814
K        0.74951005       3.51291000      12.27729998      -1.45983787       0.76913697      -0.05724243
K        2.27306002       1.08350996       4.98757999      -0.40998064      -0.58959375      -0.25688444
K        9.47006003      10.17990002       4.00325998       0.24873055      -0.37880002       0.13424134
K        9.15607003      11.98559997       8.14089002       0.27257067      -0.11778231      -0.33818829
K        3.57937006       8.37861006       4.81899004       0.03559796       1.03462034      -0.10689997
K        5.83752003       0.29000795       4.71263996       0.68566301      -0.63523147       1.59190329
64
Lattice="13.76443408 0.0 0.0 0.0 13.76443408 0.0 0.0 0.0 13.76443408" Properties=species:S:1:pos:R:3:forces:R:3 energy=-637.54641171 stress="0.0008130561469243978 -0.0009303374987807087 -0.0029328825230602196 -0.0009303374987807087 0.0003248770786207693 -0.00037524723691187195 -0.0029328825230602196 -0.00037524723691187195 -0.002613151762200524" free_energy=-637.54641171 pbc="T T T" config_type=melt 
Cl       2.22364006       5.62990997       6.22547005       0.12124572       0.14909446       0.01616272
Cl       3.47042002      10.73590002       0.21406586      -0.05425300       0.72069799      -1.27735168
Cl      10.91969995      11.45629994       0.67264202       0.06998252       0.12146510       0.70689622
Cl       5.13083995       3.35729000       7.90355002      -0.77310135      -0.70678606      -0.97177000
Cl      12.40989993       2.63344002       6.06005996       0.12295332       0.18229893      -0.18210672
Cl       8.04517999       2.62920002       4.69082994      -0.60843290      -0.42312679      -0.07263936
Cl       6.86551996       8.02209002      13.36650002       0.38507908      -0.35085381      -0.59077491
Cl       4.23382003       5.98944002       2.11203004       0.08725831       0.17902830       0.15142041
Cl       2.78290994       9.32106003       3.51304999       0.28964993       0.14027243      -0.25314253
Cl       1.21517999       1.27763005       0.79444404      -0.29541762      -0.16164429      -0.15182455
Cl       9.42611997      10.82989995       5.91465000      -0.00580669       0.51688333       0.00359016
Cl      13.34835809      13.04220005       6.27291000       0.22824818       0.32749327      -0.42728572
Cl      12.38980001      13.67170102      10.03839999      -0.20393992       0.03774992      -0.60873210
Cl      10.34599999       5.65069000       8.63764005      -0.21605421       0.17275898       0.25131978
Cl       0.54259303      10.56229995      11.44879998       0.06868387      -0.10242093      -0.01310765
Cl       3.07068998       0.09398080      10.37619998       0.15315966       0.05484498       0.03208107
Cl       9.83709004       5.41410002       2.56035005       0.83416447       0.85393910       0.19122725
Cl       8.47625000      13.36269994      11.27270001      -0.65645753      -0.25060563      -0.02124777
Cl       3.87989996       8.38443998       8.49611001       0.39432427       0.05999814       0.08280624
Cl       8.64168005       7.42893995       5.71881005      -1.01977038      -0.64756002       0.91137769
Cl      12.72320006       7.63825005       1.20771994       0.30824410       0.12901513      -0.25788042
Cl       6.32346002       4.61375998      10.26899995       0.23511108       0.50140237       1.59846700
Cl       6.47301996      11.82040006       2.72574996       0.08040274      -0.36590258      -0.60923466
Cl       3.61060996       0.88346002       3.62716004      -0.15356829       0.32405897       0.14656324
Cl      13.29510005       9.44964999       5.23230998       0.37366982      -0.40797075       0.85120168
Cl      13.76033696       4.15889994       9.55127006       0.06185819       0.55198849      -1.04947014
Cl       4.50432007      11.90839994       6.79049003      -0.00356036       0.09617024       0.16443409
Cl       9.23590003       9.65746005      10.24030001      -0.32396574      -0.81710106      -0.13079053
Cl      10.78749999       0.84297193       2.68789997       0.36226574       0.00914177      -0.30860432
Cl      11.09339995       2.98036997      11.80249996       0.00401007       0.10744429       0.27839561
Cl       2.07002003       4.94407997      12.48600005       0.96811147       2.23591678       0.78928368
Cl       6.37155998       2.96632006      13.62599994      -0.92353651      -0.84831713      -1.55020821
K        3.02021002       3.86141006       4.08754994       0.28195838      -0.06460575      -0.32196150
K        1.52551994       1.85469005       7.95834995      -0.41429434      -0.08530756       0.00781918
K       13.03489994       5.54322005       6.05524007      -0.39642246       0.04006590       0.37375182
K        5.07349002       5.49216006      12.79420004      -0.23649372      -0.04557084       0.30857867
K       10.66100002      11.49509995      11.75200004       0.55335082      -0.01361579      -0.82443968
K        1.83578005      12.41270003       4.54437003       0.18917092      -0.03406270      -0.15512969
K        8.96068003       8.25067006       3.26019004       0.17076316      -0.06996218      -1.13056566
K       12.32470001       5.77875994      12.17330005       0.33080637      -0.18756698       0.01692641
K       12.87640001       2.99052000       2.90531994      -0.48914988      -0.23020400      -0.09475333
K        8.13299006       0.23932400       1.85418998       0.13248361       0.10891100      -0.04308827
K        4.33313001       1.37379004       0.80877199      -0.87672041      -0.45692761       0.16288951
K        6.92230995      10.94279997      13.10510007       0.49211220       0.47063941      -0.04178943
K        9.84606005       0.43813295       5.37542004       0.54804855      -0.13021847       0.06531342
K        5.38302007       0.99378595       5.92787005       0.39672435       0.04986224       0.00007638
K       11.38389998      10.45320002       3.50019001      -0.04429455       0.39380159      -0.22394964
K        1.19335001       2.81417998      11.51970003      -0.48676114      -2.61053276       0.10526315
K        3.14440995       5.68323999       9.21564002      -0.22114677      -0.61833199       0.07746906
K        7.63257993      11.16520005       8.42738006      -0.11833674       0.09221735      -0.52527363
K        5.24338993       9.25522998       1.38179998       0.21947067      -0.57096032       2.13436659
K       13.57410004      11.53719999       8.55414004       0.04392649      -0.34169196       0.48166157
K       10.54590004       2.22894005       8.67002997       0.60217426       0.48769073       0.46322545
K        5.97323997       1.01009006      10.45630004      -0.17267288       0.75489318      -0.05381893
K        7.14497004       5.76044003       7.95502997       0.59478340       0.04262044      -0.94435395
K        8.60087002       6.49731006      11.45420004       0.19959823      -0.16236226      -0.36829096
K        8.01783997       3.77195004       1.59926000       0.93912213       0.16505706       1.54054309
K       10.66670001       8.45405994       7.31885999       0.24947815       0.16288293       0.32694251
K        2.07324999       8.11611996       0.79961796      -0.64589762      -0.68363758       0.16288087
K        0.84864302      11.59409996       0.55216592      -0.65336416       0.26299481      -0.11156777
K        2.49296007       9.69844998       6.31564004      -0.51676158       0.10096421       0.26681594
K       12.29100000       0.25400295      12.74110002      -0.12345041       0.67310957       0.92283019
K        3.63467005      10.36559999      10.78630001      -0.61228930       0.35653821      -0.03225263
K        4.49074999       7.46517000       5.22983995       0.15352623      -0.24606378      -0.24517433
64
Lattice="13.76443408 0.0 0.0 0.0 13.76443408 0.0 0.0 0.0 13.76443408" Properties=species:S:1:pos:R:3:forces:R:3 energy=-636.63886969 stress="-0.0031324110431058916 -0.0015384325910143754 -0.0004443951938610138 -0.0015384325910143754 -0.0015287453881189478 0.0007130337349633606 -0.0004443951938610138 0.0007130337349633606 -0.005740689322633761" free_energy=-636.63886969 pbc="T T T" config_type=melt 
Cl      13.08060006       4.33104993      10.61169995      -0.08129473      -0.44974226      -0.60393249
Cl       2.98385994       5.83621007       3.58456999       0.33440127       0.31485433      -0.20597270
Cl       9.22628998       6.07388000       0.94202204      -0.21143019       0.59274823       0.97662165
Cl       9.03315005       1.70268995       2.47023994      -0.11442575       0.95667232       1.03865519
Cl       3.16355999       1.18763006       8.03874003      -0.10413816       0.72702513       0.89713053
Cl       1.07660999      13.22960006      10.31369995       0.04040897       0.29261934      -0.13968208
Cl       2.82562001       6.73583999       8.86676007      -0.30023819      -0.73186050      -0.16675293
Cl      11.99310007       9.50577007      10.14070001      -0.19251514      -0.38237549      -0.26653713
Cl       0.57785806      12.54199996       6.49579996      -0.25384366      -0.17912368      -0.24563663
Cl       4.34428994       1.21395000       0.00126592      -0.01587858       0.32877899      -0.12831944
Cl       3.68493005      10.33140005       5.87339001       0.95134881      -0.10435742       0.71582594
Cl       7.94419998      11.46099995       0.25828795      -0.04219084      -0.20967245       0.14636217
Cl       7.53484006      11.94120003       3.78084999       1.32989579      -0.83744919       1.44611123
Cl      13.19650004       4.13569999       2.91857000      -1.08812347       0.49751058       0.83822373
Cl       5.87724006       1.82609003       5.48943002      -0.38127194       0.08552952       0.00994656
Cl      11.49449996       7.11649996       7.04645000      -0.84842622      -0.09588956       0.36056764
Cl       7.30738995       9.10880998      10.53400000       1.40850742       0.30721117      -0.91566795
Cl      13.14309996       8.34775997       4.28844006      -0.09822862       0.46697428       0.88725628
Cl       6.49421003       8.88070000       0.78926903      -0.30242892      -1.38358342      -0.56326487
Cl       3.07207000      11.78930000       1.88561997      -0.38012627      -0.33778027       0.17658119
Cl       7.00167994       6.12163997       6.52876000       0.13233149       0.13845172       0.37295904
Cl       1.10888002       5.78566996      13.36280001       0.36875791      -0.23532107       0.10946540
Cl       6.59785003       0.33369696       8.65552996       1.24130500       0.47267926       0.87470509
Cl      12.31580007       9.74517996       0.50277500      -0.62930691       0.05764826      -0.56151027
Cl       9.76726004       0.04489779      11.44890004       0.12607834      -0.03989935       0.03505544
Cl       5.05089997       4.55970994      11.30190002      -0.09324532       0.01129448       0.23655060
Cl       0.68499794       2.23037995       5.73666004       0.13071118       0.94488623      -1.47227132
Cl       8.47437996       4.85983999      11.44819999       0.67338191       1.07974636      -0.51503846
Cl      10.93760004      11.12190004       5.25144997      -0.15841495       0.78337595      -0.68553677
Cl      12.25410003       0.55736598       0.63979099       0.67524838       0.08337819       0.45459741
Cl       3.00961003       9.78337998      10.64069996       0.18873296       0.51200827      -0.14209518
Cl      10.77399997       3.00764997       6.54680999       0.30685200      -1.02047251      -2.25589140
K       12.26829997      12.23749998      10.80700007      -0.21288964       0.26322772       0.58529674
K        8.79640000       9.50908000       2.43427995       0.20337750       0.00948549       0.19650126
K        2.92704999      12.84939997      12.42780003       0.02418474      -0.63707819       0.29266706
K        9.52848001       3.46624995       0.22850406       0.70000009      -0.30977425      -0.10990331
K        5.16475000       7.84943006      11.31449998      -1.31122677      -0.93225728       0.68277528
K       11.97000005      11.56099994       2.56877994       0.41164187       0.11417697       0.24049772
K       10.30939994       3.83547002       8.85408000      -0.05938891       0.86564357       2.38983904
K        7.98299999       2.25241007      11.47260006      -1.10742952      -1.00777297      -0.36771083
K        5.78313001      12.72449998       2.13109998      -1.03313669       1.27108645      -1.40737814
K        1.00682995      10.11059995       7.98659003       0.05589625      -0.21937100       0.33450690
K        2.37965001       3.11692994      11.61460002      -0.12307048       0.37972154      -0.03627370
K        1.59267000      10.30970001       4.22440007      -0.97453190       0.14000152      -0.53274019
K        9.65187004      13.34840007       1.03760998       0.37309029      -0.27626584      -0.54873264
K        4.85441996       9.44837004       2.86683995      -0.57672095       0.03427437       0.72423932
K       12.15459996       1.43763003       3.89975006      -0.03843158       0.26598272      -0.07232600
K       13.07699998       4.89369003       6.11573999       0.55419872       0.28762166      -0.30983227
K        2.77308998       0.35456205       5.49861007       0.53303782      -0.31718330      -1.08885568
K        4.61621005      12.50119998       7.88665996      -0.57771239      -0.69402656      -0.16592485
K        4.88182000       8.04035996       7.66681002       0.46647874       0.38568534      -0.47256894
K        3.41100997       4.23932003       5.93715003       0.07918189      -0.10614098      -0.40117990
K        4.96466001       3.31959995       8.58313000       0.73954534      -0.06358444      -0.03352825
K        5.63883001       5.52878997       0.82516406      -0.09396581       0.04001856       0.00429432
K        9.74657994       8.14577007      12.76950004       0.09852022       0.25085544      -0.24036957
K       10.05859998       5.25422007       4.31222996      -0.08476477       0.03362925      -0.05730371
K        7.50747995      11.84659997      11.39250000      -0.20105966       0.46895321      -0.78564265
K        0.76436587       2.78858997       1.04112996       0.39819574      -0.06942712      -0.60945005
K        0.27776587       1.59199004       8.21224003      -0.42797067      -0.58296579       1.58112609
K        0.94617904       7.62905995      10.97370003      -0.43082423      -0.31596368       0.18747134
K        9.00134003       7.10872002       8.88578995      -0.10052798      -0.24179915      -0.00949025
K       10.27699998      10.08770006       7.61742006       0.16896462      -0.52160079       0.52667123
K       13.62379914       7.61993001       1.80621997       0.59108594      -1.27155307      -0.97396906
K        8.87203997       0.30962599       5.81663993      -0.65618140       0.11053516      -0.23121175
64
Lattice="13.76443408 0.0 0.0 0.0 13.76443408 0.0 0.0 0.0 13.76443408" Properties=species:S:1:pos:R:3:forces:R:3 energy=-636.54721389 stress="-0.011506209990004118 0.001670963535008537 -0.0022317384323175364 0.001670963535008537 -0.00769200098166855 -0.0018554972225943494 -0.0022317384323175364 -0.0018554972225943494 -0.011278431694364167" free_energy=-636.54721389 pbc="T T T" config_type=melt 
Cl       2.27347997       5.51987006       3.84114000       0.02057618      -0.08813781      -0.36253295
Cl      13.24479999       8.76698004       1.61632005      -0.20582780       0.62761376      -0.06032886
Cl       5.18932998       8.28345006       9.07427997       0.42528536      -0.06156659       0.29412673
Cl      10.33590006      10.83530002       2.26954004      -0.46424362       0.50930619      -0.25361080
Cl       0.41166601      10.99749997      11.29509997      -1.40021290       0.56241655       0.57014258
Cl       3.63438994      12.38740004      12.14720007       0.58349125      -0.71667771       0.59512823
Cl       8.88097997       1.04647001      13.48880005       1.18567223       0.86840497       0.84758555
Cl      12.25960002       4.69334993       8.75643001      -0.15381087      -0.22115782      -0.23077027
Cl      13.42419998      13.70411255       2.82847999      -0.63058548       0.85670487       0.50687766
Cl       3.47558994       9.82044003       2.98262004       0.35171527      -0.78801173       2.00065180
Cl       3.31446004       0.32386598       2.78788000       0.52400640      -1.13136468      -0.50210521
Cl       1.73065006       8.89669001       8.25382005      -0.48373454      -0.41620220      -0.83309136
Cl      13.18040006       2.36920005       5.96466004      -0.24549624      -0.91876142      -0.41008735
Cl      12.35339996       6.44922001       4.75050000      -0.00076776       0.18431231       0.12923099
Cl       2.23813002       3.40530998       8.57251996       0.58706904      -0.24622203       0.60969600
Cl       8.64879007      10.34149998      11.27720002       1.03605685      -0.19660568      -0.06138683
Cl      13.49550002      10.29160005       5.57405995       1.60787702       0.90500077       0.45431331
Cl       6.22114004      10.22010001       0.30331802       0.51527455      -0.34331529       0.23178436
Cl       9.84973997       6.60516995       0.08210223       2.82795892      -1.65565059      -2.35368060
Cl       9.65972994       3.83533994       3.80962000       0.28626455      -1.40702227      -1.21792450
Cl       8.39234999       5.45290995       9.42702993      -0.22451011      -0.38438911      -0.63274533
Cl       7.40165003       6.27413999       4.10030998       0.62454139       1.30476624      -0.13706227
Cl       5.87414994       1.91738993      11.37790007       0.13514370       0.10961211      -0.11002773
Cl       8.24244994       9.61066001       5.35488006      -0.08623027      -0.55227673      -0.12435857
Cl       5.05857997       4.59950003       6.27128002      -0.15327323      -0.55443906      -0.25830790
Cl       1.32445996       7.03886002      12.36570000       0.15313565       0.07724844       0.40147014
Cl      10.38960007      13.57438303       8.75269999       0.31190773      -0.25462322       0.00708253
Cl       2.66442005      13.02369996       7.25151006      -1.12661053      -0.00226054       0.56245250
Cl       6.10512995      12.29989995       8.09940994       1.00356974      -0.56716117       0.49270484
Cl       7.26457994       1.12868002       4.18614004       0.19460412      -1.69536259       0.20230624
Cl      12.83039995       1.90377994      13.04670005      -0.05972922       0.03824563       0.04378984
Cl       5.16109995       4.96713003       1.03568998      -0.05888726       0.50671526       0.11749618
K        0.72828598       4.58560002       6.44390997       0.24483318       1.53000546      -0.16270915
K        8.17835998       7.55360002       1.43795997      -2.79981878       2.11700020       2.47084748
K        0.90553294       8.22092002       3.62621001       0.74411134      -0.84828666       1.65923751
K        5.48855997       4.37520004       9.22636004      -0.17743905      -0.06754917       0.08840029
K        4.86673996       6.95992993       3.05541999      -0.43961955       0.36338290       0.38448800
K       11.25299994       9.55737004       4.63656999      -1.52084289      -0.98021701      -0.88802562
K        7.12230002      12.94939996      13.10850002      -1.09036055      -1.28514500      -0.30588332
K       11.49910004       5.18044999       2.25207999       0.47030649       0.44177684      -0.48622658
K        6.72854002       2.90370000       0.33793902       0.41441975      -0.69204339      -0.37352985
K        0.91340798       5.93976995       9.73096006       0.16146022       0.35002468      -0.05921671
K        2.66441000      10.46329994       5.75918003       0.34298765      -0.28852356       0.79272789
K       13.08679998      12.87269999       0.18585207      -0.11050421      -0.30551581      -0.88597969
K        9.27505998       1.66706994      10.75559995       0.05600595       0.34701617      -0.27868243
K        0.28857797      11.59289997       8.26944006      -0.34644167      -0.29349365       0.16939473
K        7.52292997      11.64169999       3.59446001       0.02964005       0.35964371      -0.65469094
K        2.91153995       2.51001998       4.15301001      -0.35404443       0.98680141       0.84847230
K       13.54574406       1.89847003       8.92910002      -0.40632829       0.14370951       0.18706818
K        6.70642003       6.84367002       6.82262998       0.09524339       0.55713077       0.46522025
K        6.18348000      10.91580007      10.41870001      -1.07196615      -0.33349553       0.41477973
K        3.22836006       0.68834600      10.53439999      -0.01944197       0.83824616      -0.76035153
K        2.73605002      10.09970003      10.44180004       1.31852471      -0.57250120       0.18765663
K        1.40135001      11.78790002       3.01686994       0.21911501      -0.30466511       0.21643740
K        3.44461005      10.22329997       0.48341505      -0.40652129       0.31173915      -2.16281963
K        5.03536997      13.64009995       6.21727003       0.37211662       1.35460692      -1.67868102
K        8.10713000       7.39031997      11.42549996      -0.12439790       0.33155538       0.11077181
K       10.17120007       4.88191002       6.12099002       0.54411612       0.76073096       1.66479250
K        2.32192996       5.10201997       0.77417894      -0.54459440       0.05212189      -0.29613262
K       11.03470001       1.20908000       2.25283002      -0.65582117       0.32295000      -0.41431582
K        6.88537006       3.70413006       3.80441002      -1.02701158       0.03670678      -0.03558363
K        9.02480000      10.31839996       7.84347997      -0.05758387       0.63176800       1.20970330
K       12.25170006       8.59383997      13.00489994      -0.41465039      -0.03742380      -1.45675081
K       10.93139999       0.80217195       6.17615002      -0.52572244      -0.17719590      -0.48923761
64
Lattice="13.76443408 0.0 0.0 0.0 13.76443408 0.0 0.0 0.0 13.76443408" Properties=species:S:1:pos:R:3:forces:R:3 energy=-635.15438405 stress="-0.00951695502358937 -0.0006542695021205492 -0.0009461101605908542 -0.0006542695021205492 -0.007780695241811383 -0.002606489737638793 -0.0009461101605908542 -0.002606489737638793 -0.0070194007726716665" free_energy=-635.15438405 pbc="T T T" config_type=melt 
Cl       7.23818994       0.33889799       6.99663995       1.06738725       0.03910832      -1.57988962
Cl       6.09022995       3.61670003       9.84674001       0.07166159      -0.22777858      -0.25002471
Cl       1.82741995       8.26808000       0.35472103      -2.08580961       1.10681153      -0.23696623
Cl      11.25500005       7.79602006       3.51143996       0.10194495      -0.08123251      -0.28618388
Cl       9.47117000      11.63180005       4.78383003      -0.11784114      -0.48888325      -0.36489071
Cl       9.69703996       3.27956004       0.55177996      -0.75009948       1.11359002       1.18166285
Cl      10.11079994      10.26870003       7.78711007      -0.45286795      -0.92481673      -0.58425637
Cl       4.33511003       8.74025997       6.88562002       0.45007018       0.20427271      -0.09780712
Cl       1.91369005       2.26567003      10.93740005      -0.69631479       0.65633665      -0.95176070
Cl      10.95989994      13.72029994       1.46190003      -0.20087230      -0.48503615       0.75174849
Cl       9.32608997       5.05728997      11.22230002       0.89008306       0.51765687      -0.45901262
Cl       4.58782999      11.95790001       4.25365004      -0.13016415      -1.80099973      -0.04182969
Cl       8.73600001       5.06805995       5.48479994      -0.93910188       0.29935620       0.95085644
Cl      10.17910003       0.48209806      10.04669994      -0.35508940       0.30769900       1.12559957
Cl      13.26710003       1.50701999       8.31265006      -0.23579385       0.27841834       0.13137004
Cl       6.28742997      10.23240005       0.92601400      -0.34264262       0.13655444       0.67102614
Cl       2.72780994      12.01639995      12.78340006      -1.63052717       0.36565453       0.51119116
Cl       0.24270304       4.68541006       5.43405006      -0.22212141      -0.15923410      -0.30183025
Cl       5.88948999       0.09267951      13.07619999       0.17987912       0.86659209       0.11247623
Cl      13.19400001       7.02661999      11.03310003       0.10808060       0.71921996       0.23389081
Cl       2.25702005       5.38914001       1.98105994       1.26583614      -1.79249601      -0.70428614
Cl       0.89885306       0.29439798       1.41314999      -1.74533879      -0.72736773      -0.89720781
Cl       6.72852007       6.06481998       0.78155806      -0.12415277       0.14678486       0.36622810
Cl       2.74222007       0.40460196       6.72539003      -0.50738056       0.07866458      -0.21387987
Cl       0.28835801      10.75550002       9.71064004       0.11576445      -0.12885779       0.01750006
Cl      10.42289995      10.82319998      13.01030001       0.07059708      -0.35503565       0.54455836
Cl       0.74406704       9.83938003       5.08954004       0.07946030       0.33323253      -1.01260290
Cl       4.45074999       1.79088006       2.50327004      -0.62149849      -1.20542775      -0.91473714
Cl      11.46540002       1.08387995       5.06479998      -0.46637499       0.04488511      -0.01382621
Cl       4.40741006       4.98430006       6.27953001      -0.01799762      -0.22604177      -0.39405231
Cl       6.53817997       9.55052003      10.28309996       0.15294262      -0.28186909      -0.44454489
Cl       4.85464997      12.81560002       9.10582998      -3.90388067      -3.77222920      -1.12043823
K       11.58659999       7.10462001      13.50869998      -0.29568994      -0.07085571       0.03682272
K       12.21880004      11.89539998       3.22561997      -0.16406520      -0.15357787       0.40740561
K        6.69834994       0.27825698       9.54161995       4.26291543       3.61575031       2.77302561
K       12.42960001       4.67398998       9.96839999      -0.39839075      -1.04438847      -0.26257062
K       11.21669996       1.58001003      13.13950001       0.85608031      -0.40013518      -1.74871375
K        0.28651702       1.58614002       5.54783003       0.49416462       0.12512346       0.35301626
K        7.23839999       8.47437996      12.83870005       0.82046796      -0.63466170      -0.49959651
K        9.47147997       2.56694005       7.99711005      -0.33598564       0.32985255       0.01530162
K        8.94429994       0.55357305       4.08023001      -0.40746370       0.15514377      -0.25325778
K        8.11335001       8.51701007       3.54768006       0.38981974       0.10342089      -0.13823472
K        2.01191994       3.26349006       7.79129996       0.57790257       0.26850017       0.17547503
K        5.14109004       4.02024997       3.38016002       0.61663278       2.61452338       0.98521967
K        3.36576999       9.25200001       4.15371998       0.65552101      -0.05425749       0.00928105
K       10.99279997      10.35160005      10.31719997       0.41997451      -0.00360883       0.44151928
K       10.71029996       4.64002005       3.81298994       0.98272733      -0.16669253      -0.73567741
K        2.56677006      11.11920000       6.85986002       0.35033868       0.46723504       0.59022804
K        8.28980000      12.82669994       0.60333300      -0.00734292      -0.38394797      -0.15414264
K        4.20270994       7.59077005       0.83986103       1.91813886      -0.68510363       0.37127083
K        3.02766002       1.47632998      13.14779996       0.87669820      -0.43926168       0.84798592
K        5.01226994       0.60918894       5.09395993       0.51414022       1.32583337       0.83885457
K       10.40409994      13.05060007       7.66605999       0.37816957       0.05918571      -1.24454802
K        7.08890007       3.77794996      12.52829994       0.14551226      -0.20860547       0.19100732
K        2.08114004       8.25018004      11.26549997      -0.09402549       0.28037413      -0.56211902
K        5.07489000      11.48340005      11.96370006       1.44825375      -0.64627475      -0.73683767
K        0.96869201       2.63662002       2.50671996       0.15951440       1.82910125       0.67107438
K        3.20813997      13.16679997       2.09733995       1.30956225      -1.53631547      -0.30673613
K       13.65889996      11.58600000      12.92369997      -0.27208010       0.05815926      -0.07040388
K        0.99723297       7.29617001       3.04598007      -1.65398300       0.99746027       1.17598148
K        6.76241994      10.79579995       7.39200997      -0.10087322       0.31711907       0.05867283
K       12.63609996       8.82188003       6.72249000      -0.85612879      -0.38453758       0.49790540
K        2.24885003      13.40160002       9.55834002      -1.12276661       0.29744700       0.38677739
K        7.28488001       7.02608001       7.88055007      -0.47557679      -0.58953703       0.15793231
64
Lattice="13.76443408 0.0 0.0 0.0 13.76443408 0.0 0.0 0.0 13.76443408" Properties=species:S:1:pos:R:3:forces:R:3 energy=-639.07872788 stress="-0.002239088714332087 1.2804162620820587e-05 -0.0007577498848995812 1.2804162620820587e-05 -0.002273794600860525 0.00040705081545526446 -0.0007577498848995812 0.00040705081545526446 -0.0035252047225479027" free_energy=-639.07872788 pbc="T T T" config_type=melt 
Cl       6.07209999       2.17100996       7.73513997      -0.21224614       0.00949666      -0.25541030
Cl      11.72480000      11.19529998       9.96039006       0.37067347       1.06582021      -0.13210739
Cl       4.54752002      12.45769996       5.39385997      -0.06473533       1.21791696      -0.46727009
Cl       8.56820000      13.25169996       7.93035007       0.28165693      -0.66172718      -0.03701943
Cl       5.14685996       0.02506586      11.56650007      -0.50370177      -0.63575872       0.38256497
Cl       8.15153998       7.57561995       6.74038005       0.41514476       0.77424578       0.11478093
Cl       5.47617005       6.65309000      13.00220005       0.18030729      -1.33064656      -0.34632958
Cl       1.74692003       3.38787003      11.16410000      -0.01727331      -0.06041064       0.46318050
Cl      10.12670007      12.53900000       0.31620704       0.12732389      -0.32105436       0.07766394
Cl       9.17522998       8.77365000      13.13639998      -0.24376236      -0.02882456       0.26662234
Cl      13.63040001       4.70775001       5.96635995       0.02326433      -0.35572707      -0.01108811
Cl       0.83145000       5.97950003       2.75497006       1.07228116      -1.09350227      -1.07252531
Cl       5.29576994      10.09210000      10.66869999      -0.58049194      -0.64985951      -0.04874239
Cl       7.01316994      10.17859997       3.37908006       0.49053080       0.37956616      -0.76261749
Cl       4.22135001       5.51331998       7.70830001       0.20891788      -0.01023278       0.08542681
Cl      12.07730000       8.00783997       2.07575002      -0.54876152       0.32781678      -0.49041046
Cl       4.61492005       3.02173003       3.54258998       0.12782973      -0.73763495       0.50658270
Cl      13.73080000       8.08846005      10.77430004       0.48312133      -0.32730908       0.26078403
Cl      11.10569998       2.80852004      10.89980002      -0.18769030       0.23220271      -0.87005760
Cl       1.67962998       9.72076007       3.48730994       0.26313881      -0.34364299      -0.26516489
Cl       9.43571997      13.62290005       3.97401001       0.60897240      -0.40947451       0.52878424
Cl       9.72537005       4.05500999       5.90202003       0.40211012      -0.58618040      -0.25887976
Cl      11.16930007       9.81821997       5.13467995       0.27770022      -0.11955489       0.12600837
Cl      13.55149994       0.30886000       6.15587997       0.22951331       0.10108421      -1.41193818
Cl       2.83981004       9.48121005       7.21127001      -0.19295915       0.05373681       0.30237766
Cl       9.50379996       6.53335994      10.08899997       0.96832177      -0.06748006      -0.79997053
Cl       7.32127000       2.94178000      12.35540007       0.11211568      -0.45420158       0.63206664
Cl       0.70024700      10.87459995      13.61450003       1.32621187       0.34705218      -0.47745370
Cl       6.10994007       6.75313005       3.99952996      -0.15447865      -0.40473749      -0.39021448
Cl       1.36786995       0.36417196       2.13083006      -0.55597840       0.46263095      -0.11278940
Cl       1.55379002      13.57160000       8.86384999      -0.30437174       0.39704324       0.55079830
Cl      10.53240002       2.71869995       1.68964003      -0.43143409      -0.16935849      -0.18600956
K        9.67500998      10.19120007       2.36436997       0.38412784      -0.15073758      -0.74958046
K        1.21668003      10.99430002       9.82543005      -0.03781569      -1.06286171       0.10852072
K        2.60315001       6.00942997       5.24180000       0.52235016       0.20203281       0.36758690
K        4.26809003      13.37949998       8.09350995       0.46332130      -0.00970637       0.17150609
K        2.12467006       2.20922993       4.96751007      -0.30571614      -0.18075593       0.32488285
K       11.43930004       0.93242795      12.75970004      -0.00464854      -0.47777052       0.70519409
K        8.26966002       0.55416506       1.65829002      -0.10833197       0.23887610      -1.13332829
K        5.98343996       8.05677006       1.40020000       0.58060340       1.01773690       0.88965043
K        0.86976303       7.44030001       0.15166589      -0.36028004       0.47034320       0.18092134
K        9.83767999       6.78238002       4.38634001      -0.27660506       0.11228030       0.03416242
K        7.28697000       8.09368999       9.52176998      -0.65412268       0.01170445      -0.02491169
K        5.04851005       2.59952005      10.77350005      -0.73772794       1.05537485      -0.90277261
K       12.63780001       4.98180003       9.69027997       0.23921619       0.40374427      -0.13115371
K        0.92574601      11.12760003       5.80494994      -0.03271972       0.46980879       0.36635409
K        7.75464004       1.87400003       4.93573006      -0.62244768       0.20244895       0.68424975
K        4.07021996      13.46570002       2.29398994       0.21571878      -0.28076207       0.39918096
K       13.28579997      11.31680002       2.28006006      -0.23353561       0.14474659       0.51633458
K       11.62140006       2.04281999       4.36178000       0.13620243      -0.05516180       0.51090487
K        4.73194004       9.85096005       4.77183006      -0.94631827      -1.34242539       0.57216295
K        8.64904003      11.26319993       5.53431997      -0.37587756       0.13802420       0.37729996
K       12.21670000      10.00910005      12.48190004      -1.58088520      -0.70560099      -0.05746319
K        5.28866006       4.01743997       1.13244005       0.27233321       0.62379818      -0.88701626
K        7.19314996      12.01220001      10.59650002       0.76222110       0.42171987       0.13786913
K       10.39639998       9.57288999       8.20109001      -0.13787381      -0.79864358      -0.33185137
K       13.22060005       7.30615996       4.58205994      -0.23493840       0.90113475       0.86120971
K        8.39362995       5.52035003      12.31450002       0.16763744       0.46734005       0.74507681
K        7.07416001       4.89438995       6.24297002      -1.28874699       0.48343446       0.43793680
K        8.56434995       2.07198999       9.02867001       0.35083946       0.68105966       0.55188507
K       13.09040007       3.76919000       1.49331006       0.59816319       0.30787099      -0.11899150
K        1.71839999       0.49310700      11.99359999       0.32878352      -0.03248513      -0.16934927
K        3.62020996       7.63487006      11.31950005      -0.71342734       0.33279888      -1.22900663
K       11.98759994       0.39624599       8.31815006      -0.34075047      -0.19066173       0.89089268
64
Lattice="13.76443408 0.0 0.0 0.0 13.76443408 0.0 0.0 0.0 13.76443408" Properties=species:S:1:pos:R:3:forces:R:3 energy=-636.58710511 stress="-0.004831348672492126 0.001361410846770983 0.0010463862524488037 0.001361410846770983 -0.005628857532259405 -0.0025472294795827297 0.0010463862524488037 -0.0025472294795827297 -0.005462891966074057" free_energy=-636.58710511 pbc="T T T" config_type=melt 
Cl       6.10369996      10.70060003       0.01716590       0.23330172      -0.19112717      -0.14444782
Cl       5.65720994       4.21772005       1.41528003      -0.31620496      -0.08042134      -0.54653298
Cl      12.80660001       6.92004996      12.56079998       0.47465123      -0.06635956       0.09532136
Cl       3.00446998       4.35488993      10.01320006      -0.11798245      -0.29574560      -1.97194535
Cl      12.66170002       1.15422006       7.58395005       0.19123691      -0.29486506      -0.06100731
Cl       9.89262995       7.89194000      10.47530005      -0.50226376      -0.12690007       0.22467648
Cl       8.86094005      10.96029994       5.79188997       0.46634066      -1.03224727      -0.68570312
Cl       6.40891995       1.63480996       5.97713007       0.85287896       0.18569820      -0.37446575
Cl       2.62302007       0.88344405      10.09360005      -0.00807259      -0.42666835       0.09056686
Cl       4.70113000      12.54910007       6.04449004      -0.46310629      -0.74072668       0.43372022
Cl       7.10242004       4.00757995       8.76567998       0.39716184      -0.12484542       0.34854619
Cl       5.01132006       6.41854997       6.02621005       0.56097465       0.35499888      -1.34224410
Cl      10.62169995      11.04239997       0.89124394      -0.86902320       0.30346032      -0.85812512
Cl       9.42605995      13.02129999       9.44568996      -0.04084633      -0.27375678       0.33780110
Cl       3.98398000       9.41926005       2.22544003      -0.27734144       0.13437911       0.94472790
Cl       3.68323001       7.73908004      12.98140006      -0.31896976      -0.35206359      -0.68568314
Cl      11.35680001       2.56356996      12.59990005      -1.18239273      -0.90099108       1.08170028
Cl       1.41932994       5.73929001       4.13440999      -0.29056493       0.54864865       0.69327951
Cl      12.72540003       4.51798003       8.03562004      -0.12149988       0.70068943       0.53938537
Cl       5.08478002      11.47700000       9.98776999       0.49980328       0.15149826       0.28223906
Cl       0.85370695      12.85420004      13.14180004       0.78528805      -0.13688072      -0.78508991
Cl       0.62685201       3.20658004       0.99476295      -0.11776324      -0.26971710      -0.43402843
Cl      10.41360001      13.76139999       3.76250998      -0.75903158      -0.23604104      -1.22123948
Cl       0.11418699      10.94110006       3.21254004       0.13097437       0.00645691      -0.14809460
Cl       2.42452000       8.39219005       8.05462997       0.95523396       0.52977243      -0.55461480
Cl      11.14299995       7.53183006       5.98753006      -0.76621755       2.15363832       0.81519426
Cl      10.32530007       4.15890999       4.03213997      -0.79207672       0.11670648       0.11512156
Cl       6.18440001       0.05756589       1.28728002       0.24110845       0.00735653      -0.50660466
Cl       0.21210002      10.04420004      10.94760004       0.46531938      -0.18705124       0.42399522
Cl      12.94169999      10.58300001       7.05443007       0.68262594       0.15156266       0.27155370
Cl       8.01392000       8.04365999       3.29950002      -0.19958196       0.70004907      -0.02949137
Cl       2.02249997       1.60199004       4.39684998       0.23740391      -0.20063813       0.00853585
K       12.46290003       5.64821006       5.11272994       1.35986180      -1.45912115      -0.72830119
K       12.44379995      12.77799999       5.30511998       0.54012473       0.05301346       0.73441487
K        5.87574001       7.79773002       0.87486702       0.43025451      -0.16969371       0.44508460
K       10.45470006      10.19050001       3.43234002       0.40915130      -0.73592143       1.35450408
K        7.25852001      12.41560006       7.26799999      -0.19972463       1.08275981       1.02757215
K        2.86288006       4.79894998      12.46609998      -0.29095191       0.42755972       2.00683043
K        2.52762001      11.87240002       8.90653006       0.38822781      -0.52898133      -0.36127522
K        9.58645002       0.73678304       0.45509101      -0.26874638      -0.05098004       0.12859078
K        7.74685997      11.42540003       2.16678001       0.10147459       0.05231100       0.45132729
K       10.78989996       9.91159004       8.72214005      -0.46092290       0.32703595      -0.46446206
K       10.10110001       3.54681001       7.31368002      -0.42119982      -0.61960828      -0.07785461
K        6.40518002       1.39193005      11.06259996       0.03704081       0.05785507      -0.53940698
K        4.14817002       1.34778999       7.44985005      -0.55280208       0.27309109       0.21462014
K       11.63790004       9.57302006      12.43010007      -0.40130272      -0.52436964      -0.07585573
K        7.84616995       5.33348999       2.65459004       0.68591192      -0.40859768       0.46983970
K       12.11900004       2.14897007       3.36397002       1.11754134       0.44634767      -0.25821950
K        3.61791997      11.85160004       3.68634999      -0.86219933       0.60451005      -0.77001889
K        0.52158905       7.55426994       9.74231999      -0.56809659      -0.96947844       0.38813052
K        2.82654994       4.66174996       2.07040997       0.01219252      -0.10390411       0.10503127
K       13.62812503       1.90861001      11.32190002       1.23165469      -0.31143966      -0.38407599
K       13.50350005      12.29880003       9.66886994      -0.91388547       1.46088737      -0.63442968
K        5.27204996       1.79108005       3.28673998      -0.31783629       0.36306053       0.60170119
K        1.61546996       9.56663006       0.44526595      -0.32966821      -0.16351574      -0.17302224
K        6.67647000       9.35258004      11.44660001       0.07866681      -0.07572589      -0.71992170
K        8.49271997       7.07755996       6.39378004      -0.76630401      -0.03635995      -0.05726628
K       11.56600000       4.76022994      11.07809995      -0.20534889       1.16569498      -0.65623262
K       12.61900000      12.90220006       1.09338002       0.11498031       0.49244317       1.02424778
K        1.12955998       8.95065994       5.51293995      -0.27896237      -0.33662171      -0.26868205
K        5.15730000       9.20828995       5.16935999       0.20278520      -0.24514994       0.07342657
K        1.13219999       3.62940997       6.41624002       0.39229349      -0.23724165       0.07211772
K        4.95338996       6.01974999       8.61683002      -0.26745645      -0.06914051       1.05572997
K        3.89359006      12.50600005      13.19790002      -0.02811769       0.13141193      -0.34119132
64
Lattice="13.76443408 0.0 0.0 0.0 13.76443408 0.0 0.0 0.0 13.76443408" Properties=species:S:1:pos:R:3:forces:R:3 energy=-636.22202292 stress="-0.006777926614968117 -0.0006050217232080085 0.004047958649378889 -0.0006050217232080085 -0.00637114865956731 0.001980316457505008 0.004047958649378889 0.001980316457505008 -0.008453200074307313" free_energy=-636.22202292 pbc="T T T" config_type=melt 
Cl       7.68277002       9.19997004       1.13819000      -0.11825494       0.11408623      -0.31942324
Cl       1.26244003       4.38500996      12.61629996       0.38309522       0.19441759      -0.08127760
Cl      13.28450006       9.00100005       0.38232904      -1.50306719      -1.93004834      -0.91838967
Cl       0.10990102       2.99563004       6.70266000      -0.25198778      -2.36713829       0.18006271
Cl       9.11662006       3.12560002      11.95860007       0.18663852       0.90275568       0.47590920
Cl       1.37669007       6.58596003       4.66979995       1.73555451       1.64665073      -0.70126914
Cl      11.16629997      13.62428007       3.26113001      -0.10532008       0.61677348       1.16550974
Cl       3.65052007      12.07330006      13.41029997       0.71749836      -1.52301703       0.17224873
Cl       7.83360000       9.98718996       4.60036994      -0.76531825       0.52810063       0.38863707
Cl      11.99909999       9.41224996       5.27843005      -0.93730728      -0.12039579      -0.39365824
Cl       7.63576007      10.64499997       9.46299007       0.40232445      -0.85825181       0.77707316
Cl      13.03289997       5.95079004       8.72956004       0.66181230      -0.08196139      -0.07793619
Cl      12.47520006       4.16445004       1.54614993       1.63025696       1.20182714      -0.99120334
Cl      10.52160003       1.51032001       8.87968997       0.48020641      -0.70039167      -0.68539246
Cl       2.06510998       1.00470004       9.90992000       0.47323457       0.26217109      -0.09267376
Cl       3.67436007      11.24959999       6.36467005      -0.06175723      -0.18311377      -0.24539486
Cl       3.01412999       2.64225999       3.38263996       0.38090902      -0.47909984      -0.03820330
Cl       7.27380005       5.03552000       2.68950999       0.28613666      -0.32783095      -0.18043824
Cl       4.53833997       4.03327003       7.04640995      -2.06549861       1.10725089       1.58589368
Cl       7.95717998       5.48061004       7.80696003       0.17931928       0.15620028       0.14681302
Cl       1.18751994      13.11300003       2.34553995       0.24253103      -0.42721879      -0.36504578
Cl      11.98160002      11.23620003       8.30821998       0.61179831      -0.16111290       0.72086914
Cl       2.55333996       8.78153001       9.43392000      -0.03431276      -0.32351997      -0.00524958
Cl      10.98490001       5.16889998       4.73850003      -1.48622267       0.46354198      -0.30296589
Cl       6.16979994      13.72758697       9.74632007      -0.55838001       0.94284305      -0.78468524
Cl       9.26691997      12.89890004      12.69660002      -0.74101704       0.58765258       1.83606136
Cl      11.07090005       7.55598994      10.92709998      -0.32526391      -0.00874127       3.01578960
Cl       4.07671003       7.44389005       1.31657996      -0.20264318      -0.07075017       0.07997927
Cl       7.21930005       0.43249393       5.06014003      -0.00298897       0.35933991      -0.40781706
Cl       5.76514994       1.43411006      13.29530005      -0.45432847       0.81618913      -0.47768498
Cl       0.11656590      12.80380005      12.03929998      -0.79880168       0.28937526      -0.14960896
Cl       5.76256993       6.15082993      11.55019995      -0.40374773      -0.73242652      -0.07068224
K       13.32679995       5.31485006       5.84320997      -0.74467090       0.67199988       0.79376321
K        4.56013994       8.56812003      12.37589999      -0.24769417       0.51164027       0.17612231
K       11.10090005      12.92269998       6.27185000      -0.44622485       0.01381426      -0.43860111
K        4.58147000      13.22730003       4.24760993      -0.68808547       0.32921286       0.15583273
K        5.36553002       4.54746001       0.08534651      -0.10365510       0.09411897       0.59682403
K        1.98779997      11.67870002       9.15080004       0.25557352       0.32413753       0.13063114
K        8.84093001       7.46984000       4.09723005      -0.02746841      -0.34484523       0.24919331
K       10.75550002       4.13244993       8.28368997      -0.18745925       0.51361295      -0.33453012
K       10.81980003       3.01365994       2.96615007      -1.96435489      -1.32539056       1.34891753
K        9.32384995       6.99437997       0.67986903      -0.02364853      -0.51623968      -0.37783211
K       11.46059995      13.40980004       0.64976704       0.78032576      -0.13321915      -0.76553962
K       12.55190003       8.12573001       2.76113997       0.02560896      -0.59364711       1.07513098
K        6.89992003       1.45500997       1.97272998       0.50304768       0.19031637       0.86672996
K        6.07125994       3.03870006      10.16560001      -0.04472318       0.13131214      -0.07840912
K       10.84399997       7.77034003       8.48684999      -0.42954355       0.88842100      -2.87872417
K        2.00048995       4.16399994       8.34016999      -0.00706299      -0.20684252       0.73443694
K       12.26040001       3.55968995      12.56959999      -0.23519662      -0.00732371      -0.53149779
K        4.97865004      10.04529996       2.90612007       0.47565957      -0.55346611      -0.26854133
K        6.26469002      12.66130003      12.21590001       0.10393670      -1.05654327       0.38429050
K        0.19543900       1.27457999       4.06232000       0.21127073       0.40885828       0.22621100
K        6.85563998      12.32590000       7.34291994      -0.16612038      -0.38744850      -0.41100365
K        4.26251998       7.19847005       6.48979000       0.00104411      -0.10040538       0.09978075
K        0.61130495       9.16877997       6.44042000       0.87354240       0.04611817       0.56229513
K        7.72667003       7.49017007      10.31169998       0.78950228       0.49465512      -0.70402875
K       13.12939994       0.29755403       9.49835998      -0.26728211       0.00021481      -0.17696537
K       10.51069998      10.87530001      11.85300002       1.05968687      -1.98327204      -1.15401961
K        1.87512996       5.00235005       2.23888004      -0.05730407       0.22691153      -0.51435306
K        0.49538900       7.17956006      11.19800001      -0.11371868      -0.00819419       0.21414861
K        0.93699403      10.99479994       0.14763002       1.89774903       1.81132642       0.38496700
K        6.49776002       3.35057997       5.77628000       2.36902441      -0.55694523      -1.56163711
K        2.72236005       0.79064107      13.22020006      -0.72723951       0.99662064      -0.20898581
K        8.71128005       0.71917902      10.72820006      -0.41961719       0.22633430      -0.85045331
64
Lattice="13.76443408 0.0 0.0 0.0 13.76443408 0.0 0.0 0.0 13.76443408" Properties=species:S:1:pos:R:3:forces:R:3 energy=-634.52220572 stress="-0.011152213550013126 0.0002721217525832468 -0.0012079346152446366 0.0002721217525832468 -0.012086686822536863 -0.0010630664047198161 -0.0012079346152446366 -0.0010630664047198161 -0.008248012671288132" free_energy=-634.52220572 pbc="T T T" config_type=melt 
Cl       3.03615997      12.38310003       7.25919998       0.07709538      -0.75465279      -0.43302742
Cl       0.65093702       8.57165996       9.93866001      -0.00536116      -0.03507961      -0.16762518
Cl       7.48283996       0.57609497       5.85981002      -0.09817957       0.50703051       0.54659815
Cl      12.71239994       8.92094005       6.05988997       0.54505246      -0.00061595       0.76642445
Cl       8.21949003      11.92129996       3.67707001       0.15641904       0.37723442       0.16756779
Cl       2.72643006       1.28577997       9.62476002       0.00415849      -0.53127591      -0.21274830
Cl       6.21902004       2.83622000       9.71514005      -1.09841472      -0.73345986      -0.58003791
Cl       6.91267993       4.30059007       3.17586003       0.34661667      -2.28375736      -0.85044732
Cl       2.34210999      11.76559999      12.55110004      -0.87967638      -1.32902858      -0.26769589
Cl       2.36204007       2.82110005      12.55880000      -0.28877728      -0.11488445       0.37361967
Cl       5.01214001       6.82760004       4.83252997      -0.85683224       1.05197779       0.78984522
Cl       0.55269199       9.67766996       2.54908001       0.03520936      -0.57346647       0.07509609
Cl       2.61336996       0.23950102       1.90640000       0.78987646       0.18536470      -0.13029655
Cl       7.49974998      12.71879999      13.60640007      -0.70806991      -0.23758798      -0.03256120
Cl       8.19992004       6.28205000       8.64369998       0.02592305      -3.88365288      -0.15947661
Cl      10.91430002       6.41595000      12.66230001      -0.30473089      -0.13102094       0.23419346
Cl      12.65979998      12.89500002       7.71751007       0.36722958      -0.25869706       0.22989169
Cl       9.66878997       2.49702003      10.81379997      -0.93070740      -0.95328475      -0.12009555
Cl      12.30479995       2.99692996       2.88680994       2.21550194      -0.57395932      -0.26443833
Cl       8.48328996       8.04874994       2.33017994       0.61800987      -0.87055087       1.08871297
Cl      13.25309994       4.23752005       8.75687006      -1.56075049      -0.88662155       0.96167624
Cl       9.67422004      11.22270001       9.53384002      -0.90628254       0.66938056       0.24127796
Cl       2.90471995       1.43701999       4.86587005       0.32329977       0.48582376       0.76182652
Cl       9.96572006       5.48158993       5.70264000       2.30946887       0.01133253       0.81800113
Cl       6.10363004       6.73949004      13.67000001       0.07863968       0.61489023      -1.39563884
Cl       2.43087999       5.98389997       0.74198503      -0.26695776       0.13309546       0.15886289
Cl       3.93717996       6.56221996       8.57617002      -0.21076695      -0.90985117       0.51887912
Cl       1.58787998       5.12575000       5.03956000       0.18101129      -0.81015305       0.73141622
Cl       6.85623006       9.86274998       7.29736999      -1.19245748       0.86033043      -1.46291351
Cl      11.97120003      12.57079998       3.33031997       0.72248803      -0.00773307       1.06799827
Cl      12.05009997       0.70457096      12.59139996       1.61931520       0.20725236       0.74032480
Cl      11.32629995      10.60269994      12.95030001      -0.16930572       0.06465773       0.17818055
K        7.48563001       5.77247000       5.17604001      -0.46097796       1.34927067       1.48370509
K        5.40812007      13.49299999       3.80266001       0.08086557       0.12314161      -0.20309387
K       11.96100003      10.23429995       8.70096994       1.12097848      -0.82953062       0.03768318
K        8.34024005       2.67052994       7.94570993       0.38090027       0.26187162      -0.08394049
K        4.27468003       3.97637997       5.43774003       0.33828279       0.33019749       0.10595445
K        3.45343994       5.35322998      11.49449996      -0.08860644       0.10473001       0.15778985
K       11.03270003       8.99065002       3.98121996      -0.52798542       0.37120646      -1.04491988
K       12.83340005       1.72455999       6.94872004      -0.04654826       0.88225658      -0.41026132
K        7.02041994       9.55654996       3.96043002      -1.16301830      -0.33998854       1.13543351
K        6.99580996       4.52231005      11.62600000       0.72866942       0.55325881       0.49505893
K       10.03360005       3.79508999       3.54206005      -2.16542624       0.27279591      -0.14786269
K        1.10140001      12.96489995       5.21837996      -0.48970564      -0.41329882      -0.50297043
K        9.85442002      12.21820005       6.63773000      -0.61078861       0.04142885      -0.38757746
K       13.06040007       2.90130995       0.13024197       0.37955877       0.51148249      -0.19939954
K        4.04138994      13.66239998      12.06539996       1.11769388       1.78930973       0.14012244
K       13.22049998       6.15584996       6.96548994      -0.24242723       1.10618004      -0.83654770
K        9.73744999      13.65849997      11.99350006      -1.70364362      -1.25218679      -0.84920344
K        4.92040997       0.60214003       7.74957996       0.53545821       0.31711069       0.04224578
K        4.39884005       9.63734003      13.28730002      -0.05881141      -0.23765874       0.23876237
K        1.91469004       3.62949999       8.29494006       2.06190836       0.17969742      -0.40450743
K        3.42361998       9.09945003       7.69991995       0.55484958      -0.18639740      -0.89507157
K       10.83180000       4.72000999      10.35149998       0.47193794       1.60145073      -0.44161015
K        5.09842002       5.98168004       2.30630003      -1.04458486       0.39587297      -0.92920879
K        8.65544999       8.62248004      13.57109994       0.56884591       0.31159740      -1.38400512
K        0.48677494       6.86209000       3.31245001      -0.09054294       0.61263918      -0.78885303
K        8.28167995       8.63901003       9.02610996       0.80975717       2.51433100       1.59738461
K        9.91164001      12.86130001       1.60612006      -0.21848173      -0.01127097      -0.70954835
K        2.25802004       3.22432006       2.30911004      -0.15603677      -0.20249511      -0.16029421
K        0.55540799      12.27120000       1.51016998      -0.79471143      -0.18508000      -0.68817857
K        2.05120996      11.01230004       9.41215994      -0.51990987       0.39388746       1.00100651
K       13.08590006       8.24456993      12.70150002       0.27858084       0.35557205       0.16458379
K        0.30090705       0.12748495      10.74270006       0.01587488      -0.01041908       0.09393296
64
Lattice="13.76443408 0.0 0.0 0.0 13.76443408 0.0 0.0 0.0 13.76443408" Properties=species:S:1:pos:R:3:forces:R:3 energy=-637.27215961 stress="-0.01125731578269701 -0.0009175851094780875 -0.003556780698219511 -0.0009175851094780875 -0.004198194239435004 -8.939735990435445e-05 -0.003556780698219511 -8.939735990435445e-05 -0.005261113600441323" free_energy=-637.27215961 pbc="T T T" config_type=melt 
Cl       4.30602000       9.91901995       7.22013004       1.74867425      -0.24630266      -0.02505089
Cl      11.31950005      13.39029997       3.84559004       1.56840228      -0.39357310       1.17180874
Cl       9.61503999       3.17050002       2.34991993      -0.41013517       0.00326959      -0.19955597
Cl       4.42070003       8.90639999      11.49629994      -0.46006611      -0.11637559       0.00453565
Cl       1.65683002       0.66542505       7.12276993      -0.33498419      -0.00991446      -0.46026835
Cl       2.07126998       5.42155002      13.63439996      -1.11926677      -0.65281581       0.09347344
Cl       8.58282994      10.34120005      12.99260005       0.89083163       0.72250835       1.64569546
Cl       8.91753996      11.45289999       9.56877002      -0.14096927       0.33918742       0.03905529
Cl       3.69151000      13.05189998       2.51811994      -0.60959088       0.24513152       0.18625153
Cl       3.08419000       8.95002003       1.48259995       1.05068563      -0.54827566      -0.61039866
Cl       1.77598006       8.88188994       5.98552004      -0.91224536      -0.57054561      -0.29224324
Cl      12.70460005      10.80619994       8.25611004      -0.04743535      -0.72974902      -0.67740688
Cl       7.73263994       6.18550006      13.18129998      -0.06686643      -0.07132464      -0.28403579
Cl      11.80770002       4.28342004       9.16083996       0.11344112       0.28997938      -0.03860730
Cl       4.61084000       2.90314007      11.64930002       0.39401690       0.20110781      -0.54691334
Cl      12.56059998      10.37240003      12.51960000      -0.09057688       0.14342963       0.15817442
Cl       4.62360995       4.97206004       2.21335995      -0.71399134       0.13162854      -0.40397624
Cl       2.49158005      12.47490000      10.50120004       0.24609312       0.28755181       0.50439349
Cl      10.61579996       4.78186006       5.82545000       0.82967845      -0.87138670       0.08836030
Cl       7.71493998       2.51296998       9.64265007       0.22576126      -0.56845865       0.06193452
Cl       5.84409998       2.82001004       6.15025995       0.54395277       0.23917980       0.00858317
Cl       8.39728000      12.58660003       5.28584000       0.88882684       0.14826397       0.85391787
Cl       6.93450000       0.20809003       0.57984399      -0.12595085       0.66317165      -0.27915533
Cl       0.74738702       7.26188005      10.42930000      -0.57784315      -0.22985025      -0.01948186
Cl       7.15019997       9.76565002       3.38246997       2.71033333       4.58467276      -0.69558792
Cl       0.40895001       3.47590996       4.07683997       0.81736475       0.27744274       0.24586489
Cl      11.31820000       0.36924705       8.93833003      -1.79236544       0.33355522      -0.00233525
Cl       1.71916997       4.71635003       7.73539007       0.29078175       0.10194653       0.10120239
Cl      12.53749995       8.40049000       2.78018004       1.22970154       0.37279221       0.28337889
Cl      11.93670003      13.58230006       0.49920505       0.32275427       0.46820937       0.42571455
Cl       7.88693002       6.80474998       4.18651002       0.50350427      -0.22827236       0.25025922
Cl       8.61936006       8.01220000       8.63515998      -0.02488678      -0.10629399       0.11211561
K        6.87517006       4.23073006       3.35931007       1.24816970      -0.73927412       0.70422446
K       10.54980005       9.73072001       1.52898995      -0.69929857       0.73825401      -1.10212971
K       13.08129999      12.78360005      10.24160006       1.62285051      -0.97338335       1.07238084
K        5.71282004       0.19810902      10.41659997      -0.20488813      -0.11714440      -0.05626886
K        5.76153003       7.98273998       2.91092000      -3.37021298      -3.38866058      -1.60191192
K       12.37419995       2.15721001       2.56709999      -0.83792594      -0.24179590      -0.72674402
K        2.33104999      11.73490007       7.75636996      -0.59037226      -0.24725738       0.09755778
K       13.30929999       7.52455996       7.65407998       0.10137982      -0.19179400       0.00489459
K       10.97459994       9.22631998      10.36520000      -0.17269276       0.22485887      -0.07253385
K        0.15313305       4.10881998      11.02159998       0.79431173       0.53269634       0.08263661
K        7.25856007       3.36635993      13.26289995       0.08848465      -0.41084401       0.14712475
K        7.13448994       9.47556003      11.06219997      -0.35872038      -0.55451076      -1.51679311
K        9.50421001       4.45036996      10.57450005      -0.13434561       0.65009770       0.51866005
K        2.97262995       2.78164994       5.68316002      -0.35016864       0.28425347       0.05027850
K        9.17830000       1.25161004       6.89967007      -0.15233921       0.06736537       0.24471624
K       10.33320003      13.08550007      12.07530003      -0.70247809      -0.64314978      -0.54337582
K        6.06887993      12.56709996       4.22554004      -1.70215426      -0.05992910      -0.49944570
K        5.25691996      11.66719998       0.46029603      -0.12067471      -0.73264666      -0.26151333
K       12.73329999       2.08183996       7.55363003       1.10697552       1.05544937      -1.09287311
K        0.53233701      13.33810000       3.82539005       0.30211671       0.25966707       0.15161333
K        5.71486007       4.29056997       8.96563000      -0.82849845      -0.02012135      -0.09999987
K        8.46156004       5.93437003       6.78998005      -0.62425362      -0.33159826       0.45479115
K        4.48672995       6.55364995      13.24459999       0.78748778       0.27021625      -0.07692072
K        1.95260996       6.12613998       2.95555999      -0.28397529      -0.14410136      -0.16859889
K        2.94577003       7.42784994       8.64271995       0.30488310       0.39413976      -0.19748950
K        9.06587004       0.00622662       2.58222999      -0.61245627       0.40166589      -0.86993638
K        3.87451999       2.38327005       0.48118700      -0.47065094      -0.11308530       0.69029572
K        1.50697993       9.00725998      12.61560004      -0.02669964       0.17714128      -0.10631092
K       10.68559996      10.96519994       5.72532998       0.45329242       0.10242135       0.56202930
K       10.92330004       6.46109996       3.64350998      -0.67244139      -1.04974474      -0.15202533
K        7.03422994       9.23361995       5.92810005      -0.12451645       0.03515475       2.01212639
K        1.39494996       9.76583996       3.30936995      -0.71781852       0.55576977       0.65183892
64
Lattice="13.76443408 0.0 0.0 0.0 13.76443408 0.0 0.0 0.0 13.76443408" Properties=species:S:1:pos:R:3:forces:R:3 energy=-637.22966756 stress="-0.004642187960704514 0.001031309656219395 -0.003056821499214327 0.001031309656219395 -0.005492970772227112 0.0025201258759998003 -0.003056821499214327 0.0025201258759998003 -0.007111499788525688" free_energy=-637.22966756 pbc="T T T" config_type=melt 
Cl       8.80563002       8.19845000       8.10909005      -0.76511051       0.04578893      -0.78945071
Cl       4.01077000       0.91425298       7.05465993      -0.00903235      -0.27108681       0.19459414
Cl       4.75294993       6.33435994       4.92930000      -0.93731969      -0.53123668      -0.48746085
Cl      10.13759999       8.94289996      10.56579997       0.72718207       0.72585657       1.20386474
Cl      11.04399995       4.05539002      12.32720005      -0.22571091      -0.77776666       0.65924844
Cl       2.96873998      10.47009999       1.47594994       0.20142007       1.15956294       0.29855327
Cl      10.04970003      13.00059993       5.93365001      -0.51330808      -0.37697175       0.09629297
Cl       8.61551001       7.88524993       0.90004107       0.04000838      -0.22290697       0.37964325
Cl       5.75457996      10.67459997       6.32713995      -0.29596566      -0.70301985      -0.10947527
Cl       3.44372005       2.85992002       3.04423997      -0.33946380      -0.19824663      -0.16612785
Cl       0.00546586       7.68095999      12.60250002       0.77062796       0.95433897       0.77926787
Cl      13.67110007       9.98758995       7.95768995      -0.53819992       0.04972038       0.07559592
Cl       5.81489997       2.86761998      12.72099996       0.18379620       0.35433044       0.31447833
Cl       1.69795003       3.65109005      12.23820004      -0.53092092       0.32190975       0.39911825
Cl       3.36289006       7.34087001      10.50040005       0.46506616       0.38425278       0.22433079
Cl       6.21123006       4.96444005       8.75948998      -0.05232014      -0.18211512      -0.11575248
Cl       7.11924004       3.37524006       3.20294004       1.00076149      -0.43074526      -0.16162591
Cl       1.80589995      13.54049995      13.00240005       0.72007576       0.03718477      -0.82903337
Cl      12.96180006      13.71040000       8.67801995       0.22326334      -0.54471201       1.22557301
Cl      11.28190002      13.12539999      13.20770002       0.42008947       0.40584834       0.16405178
Cl       0.42928297      13.65606408       5.12705005      -0.40543500       0.24910448      -1.20056403
Cl       3.52338997       6.92078994       1.15622003      -0.60348833       0.88952765      -0.35161114
Cl       7.49656998      12.80289999       3.39160996      -0.26665778      -0.01016693      -0.33287945
Cl       7.91057993       0.54888296      11.32899999       0.19708545      -0.70525024       0.90623059
Cl      11.83309995       3.14947994       4.71518005       0.63907643       1.44223056      -0.91474209
Cl      10.32089999       3.35632002       8.53695996      -0.00345787      -2.77987308       0.92421003
Cl       0.78670100       5.41640997       7.56162001       0.08491122      -0.47406972       0.23617531
Cl       1.47763994       9.94047994       4.65214995      -0.14243452       0.71898366       0.95774536
Cl       0.13506599       6.04678994       3.20044001      -0.80917586       1.91821782      -1.40220659
Cl      10.34819996       7.77713994       5.02902002       0.36255383       0.59784958       1.09151964
Cl       6.12303995      11.15250002      11.98989998      -0.02080618      -0.03513686       0.13029711
Cl      11.56520001      10.42510006       1.67329999       0.52201888       0.09141873       0.29498751
K       13.73986993       3.84453995       1.30333995       0.36716106       0.01006648      -0.50001664
K        8.42575999       9.58785000       4.01482004      -0.36811436       0.65258231      -0.32271492
K        0.72744704       4.33892993       4.92581003       0.93962189      -1.95878856       1.23862042
K       10.29109999       5.63388005       7.64068003       0.01286495       2.44256094      -1.03157240
K       10.44910000      13.75700005      10.59160002       0.76805930       0.47073045      -0.77632880
K       12.03260000      10.99459994       4.92389003       0.47019223       0.07171101      -0.13961812
K        6.64040002       7.01360999       6.58215995       0.96970837       0.35171985       1.09287795
K        0.04126591      13.01580000       1.09952006      -0.81057072      -0.11847118       1.51000552
K        5.38551006       5.36116999       2.28006997       0.36375406      -0.63888179       0.27190811
K       11.80850001       1.31652999       6.67401002       0.14849723       0.17648096       0.40693617
K        3.80181006       8.68422000       3.74131000       0.38615041       0.04883146      -0.27145396
K        8.37557005       7.06410000      11.90499998      -0.63933713       0.01373070      -0.39302587
K        4.24328997       3.78992997       6.51496996       0.04232495       0.16731343      -0.09464359
K        4.65408000       0.79083996       0.46956596      -0.40800892      -0.13051979       0.18631798
K       10.38730003      10.94060000       8.19774994       0.23217608      -0.62387609       0.15507664
K        3.76321995      12.69959998       3.81333006      -0.10523250       0.06886199       0.29259497
K        3.73940996       9.54434999      12.74429998      -0.09294714      -0.57434854      -0.09052229
K        0.63133798       1.60359002      10.85869997      -0.39475696      -0.62260445      -0.50268947
K        6.30232006       2.17797999       9.98543995      -0.55676317       0.80560106      -0.85719139
K        3.96631996       5.04347997      12.75819999       0.20035856       0.70603870      -0.34548215
K        0.19646596       7.73464996       6.13776996      -0.19654986       0.31417130      -0.17359882
K        0.65831503       9.11613996       2.23441004      -0.87907749      -1.05375659      -1.01770171
K        1.51282004      12.36199998       7.21429998       0.39596614      -0.33762829       0.60809017
K        0.69732605       6.09635994      10.37619998       0.34174628      -0.22060329      -0.12732979
K       10.65869999       6.32968994       2.89185006       0.21346089      -0.65796096      -1.16298466
K        8.46119006       2.40531999       0.16996598       0.13068679       0.15961423      -0.24109121
K        8.65021001      12.01040004      13.55064503      -0.37094192      -0.52355078       0.16647177
K        5.28439005       9.63330003       9.67642001       0.16678898      -0.25827094      -0.64674474
K       11.34740001       6.74680006      12.07550003      -0.36618838       0.50234404      -0.00549674
K        9.65511005       1.87352007       3.95163000      -1.38571298      -0.93592903      -0.14746715
K        6.55121007      13.31169996       6.72130007       0.55818278       0.25358484      -0.36535639
K       13.21240003      10.88780005      12.64119996      -0.23262863      -0.66357527      -0.41071745
60
Lattice="13.23443393 0.0 0.0 0.0 13.23443393 0.0 0.0 0.0 13.23443393" Properties=species:S:1:pos:R:3:forces:R:3 energy=-579.46984871 stress="-0.006561832642864639 0.0007010382409894169 -0.002894796154049585 0.0007010382409894169 -0.005395234612575867 -0.001306630475580586 -0.002894796154049585 -0.001306630475580586 -0.005239710329694008" free_energy=-579.46984871 pbc="T T T" config_type=melt 
Cl      10.91919994       0.00176931      12.14210002      -0.49753651       0.41539753       0.24772473
Cl       7.18719995       6.43824004       2.15964998      -0.08668495      -0.44095597       0.22927657
Cl       1.54842996       6.86301997      10.80630003       0.06421365       0.73232945      -0.88248015
Cl       5.14653997       7.04538994      11.42209996      -0.10566559       0.71625284       0.68617704
Cl      12.38659996       0.71615797       2.36301003       0.14426489      -1.08788709       0.79738398
Cl       7.64659004      11.42860005       2.51676001      -1.24017943      -0.35523571      -1.30760714
Cl       5.19208998       3.19398995      10.00870000       0.07258562      -0.09704939      -0.25816320
Cl      11.07759997       8.53489994       9.99942994       0.05946641       0.40309477       0.23067137
Cl      12.19320002       2.40332000       6.38168004       0.25027925       2.23004107       0.13226213
Cl       9.96316005       3.14436995       9.82870005       0.12710394      -0.29531778      -0.16500540
Cl      11.51560004       6.75696001       6.53985005      -0.39694697      -0.60244339       0.02198673
Cl       0.91622396      13.09830004       8.61680004       0.09243696      -0.32842063       0.07573297
Cl      10.26240000       5.79162002      12.05239993      -0.27017691      -0.25969189       0.05313747
Cl       4.94113004      11.30239993      12.71050003       0.08074395      -0.37684505       0.93894735
Cl       3.90920999       8.97600005       7.51697994      -0.52271481      -0.05145949       0.40490918
Cl      11.11610000       3.63074996       2.08463999      -0.45411165       1.21290414       0.77504827
Cl       3.99346000       9.52526995       4.01590004       0.22040015       0.21665471      -0.37433800
Cl       1.26153006       9.57026001      12.49379994      -0.69677095       0.54253271       0.57322606
Cl       6.86314994       7.03592005       7.88686000       0.52232839       0.24717284      -0.60823949
Cl       7.19957997      13.12979998       5.18384995       0.08155437      -0.93208956      -1.55281825
Cl       6.81848002      11.87650001       9.73130997       0.07637939      -0.12482680      -0.38466076
Cl      11.21380003       7.95946000       2.43472994       0.47426390       0.50091024      -1.20886148
Cl       2.78414997       6.04143002       3.23593000      -1.81202988      -1.14243268      -2.93154247
Cl       2.18965999       4.97764000       6.94148005      -0.05836951       0.32089240       0.00061411
Cl       7.53772994       3.25050005       5.49135004       0.02325231       0.71777090       0.26799090
Cl       2.88574000       1.10679994       4.54780001       0.48649915       0.15042580       1.09085002
Cl       0.00988017      10.42010006       5.32485993      -0.79879095      -0.63695419      -0.51472665
Cl       2.71368005       2.72658005      12.90421098      -0.28257377       0.38550946       0.17988161
Cl      10.34119994       0.07690635       7.17345996      -2.08547239      -0.92049998       0.37386023
Cl       6.64526999       1.91540004       0.84461297      -1.16756540      -0.32036427       0.29776698
K        9.62891000       6.89256995       4.32234005      -0.68560065      -0.45941727       0.18295935
K        9.75846994       1.99880000       4.13300003       0.31598686      -0.36261698       0.33175930
K        8.98758005       5.07734002       7.71950000       0.29543103      -0.40595900       0.04314464
K       12.41200002       5.95941001       9.72161998      -0.92475575      -0.57371094      -0.39073610
K        4.06247003       6.44711002       5.20277003       1.82432551       1.57873881       3.15655019
K        7.98461999      12.42220006      12.80729999      -0.06179621      -0.13209134      -0.17205071
K        4.98536004       0.41650206      11.20479995      -0.30921465       0.87932108      -0.08790843
K        3.40427994       9.63253001      10.86800002       0.71775690      -0.20975960      -0.95803761
K        0.72166204       8.03059998       7.01731997       0.40918349       0.19386458       0.05213734
K        2.23255994      11.31689997       6.45844995       0.87705405       0.37533686       0.17805508
K        2.30615001       0.35331598       2.06911997      -0.81424519      -0.21717902      -1.19389697
K        2.31341002       8.05586002       1.23695001       0.02440458       0.11060209       0.79531726
K        4.52335006       5.94030995       8.88444000      -0.72558477      -0.29162646      -0.07038422
K        5.80507005       8.85935995       1.48449004       0.03319547       0.54827875       0.05999808
K        5.37957995      13.07709994       3.03852002      -0.08139531       0.02881212      -0.19410044
K       12.41940005      10.98610000      11.28970004      -0.17951360       0.13492040      -0.61207249
K        7.15529993       1.00352001       7.41252002       0.43383711       1.14188496       2.45762604
K        6.05440996      10.85369995       6.57695993       0.05151975      -0.57557840       0.13870662
K        5.54809003       4.22378004       3.72448006      -0.04258952      -0.26673995      -0.68064742
K        6.48929994       4.89706003      12.61499996       0.23726616      -0.53525849       0.04112229
K        2.45506002       2.11716997       7.59508004      -0.16427246       0.17353756      -0.05862540
K       13.11952887       4.62343004       4.46091000       0.08296584      -0.06930395       0.20354533
K        8.11031998       8.47101997      10.09009998      -0.06508353       0.14987656       0.09770254
K       10.02909996      10.94290003       3.27432005       2.08733172      -0.37234393       0.57695419
K       12.92452094       2.53554999       0.37256612       0.39715068      -0.11728864      -1.06006333
K       12.45559993      13.17129999       5.66656997       1.33113158      -1.09307653      -1.02324995
K        9.17600001       2.48291996       0.34379896       1.41743589       0.33666897      -0.85037299
Li      10.98379999       1.24501005       8.79810001       0.21268309       0.72795022       0.43468625
Li       2.19169994       5.54971998      12.11289996       0.99151096      -1.76111070       0.81423135
Li      11.14430006       7.38879995      13.14637637       0.01369829       0.24385324       0.59864547
60
Lattice="13.23443393 0.0 0.0 0.0 13.23443393 0.0 0.0 0.0 13.23443393" Properties=species:S:1:pos:R:3:forces:R:3 energy=-576.52895465 stress="-0.015477951386918654 -0.0006088933438018122 0.00022815854710042717 -0.0006088933438018122 -0.005632789271069109 0.0016991240445392974 0.00022815854710042717 0.0016991240445392974 -0.014195354884559305" free_energy=-576.52895465 pbc="T T T" config_type=melt 
Cl       9.80074999       9.76515002      13.18350002      -1.48567018      -0.58461088      -1.67197342
Cl       7.49466999       6.18490002       5.30474002      -0.33981057      -0.58942830       0.30056233
Cl       2.91550000       8.81879006      10.51929995       0.46208836       0.28107685       0.01586071
Cl       5.73169001       7.18947998       1.35901993       0.85688408      -0.84259427       0.88794661
Cl       1.41396004       5.52366998      12.07210005       1.61345807       0.54222203       0.81807866
Cl       5.03537006      10.68369994       3.84834999       0.49489376       0.00957277      -0.78403408
Cl       4.66133994      12.02619999      12.08249993      -0.39614208      -0.26791625       0.11095541
Cl       9.24763998      12.02539997       9.75662996      -2.70182998       0.42511257      -1.77037643
Cl      13.10912290       4.49702002       7.62279996      -0.26736248       0.01144711       0.38753806
Cl      11.56440003       3.15050001      10.52209996      -4.84322286       1.16355398       3.88423032
Cl      11.70150004       7.29851001       5.54680999      -0.69920003      -0.14596132      -0.02198996
Cl       0.82730299       1.62509995       8.77196994       2.19664119      -2.47566282      -0.99880754
Cl       6.18786003       2.52559995       0.72787798       0.65927891       0.98057565      -1.03986542
Cl       2.10476996       2.35632002       0.43267295       0.18448323      -0.19632418       0.27158582
Cl       1.71808998      10.22780003       5.37955004      -0.42901933      -0.64210861      -0.01705026
Cl      10.44690005       4.14014001       1.99112006       0.34203979       0.11488628      -0.14650424
Cl       2.26418004       5.44296005       3.56595007      -0.10802430       0.47598265       0.27514458
Cl      11.87430005       9.81800001       9.57966004       0.35758842       0.93819972      -0.53232096
Cl      10.04939999       9.24861999       3.69101997       1.11581369       1.05841931      -0.70664026
Cl       6.54942000      10.01849997       7.10622003      -1.20586543       0.99061812       0.77101297
Cl       3.79102994       6.05706995       7.04054005       0.20130446      -0.64092722       0.49159483
Cl      11.76340000       6.93244001      12.73630003      -1.35226381      -1.38918658       1.23384432
Cl       4.31897003       0.64952497       5.39809003       0.17696182       0.71710003       0.23194449
Cl       8.24065004       1.30933999       5.74125996       0.22935152       0.57372095       0.15815875
Cl       7.65865006       6.78331004      10.33639994       0.05204262      -0.65674576      -0.10259123
Cl       1.09139003       8.83448994       0.96823502      -0.09266030       0.71588355       0.05325883
Cl      13.06399996       2.13493005       4.11534000      -0.12826758       0.23795626       2.38594524
Cl       6.87215994       1.73873000      10.39900000      -0.48439699      -0.33558198      -1.16185638
Cl      12.56109994      12.87310000      12.38370003      -0.66781528      -0.25820915       0.13596895
Cl       8.17569993      12.96029997       1.46285002       0.48915790      -0.19060931       0.46146895
K        8.39047997       8.88497997       5.73945994       0.48075307      -0.89540131       0.29452905
K        6.77152994       0.08464387       7.69261001      -0.28538803      -0.79935679       0.35781994
K       11.13349997       7.33069006      10.28370003      -1.75001146      -0.70295809      -1.58462649
K        4.27852004       1.90232005      11.78969999      -0.37913393      -0.16351016       0.07765000
K        6.45633998       3.94039998       7.63266001      -0.01211744       0.44183854      -0.26799666
K        5.66651002       0.74680296       2.55196996      -0.64331545      -1.67221515       1.28615151
K        2.08189993       2.95259996       5.69905005      -0.05456471       0.37484205       0.20981210
K        1.91645998      11.86130000      11.84879995      -0.47715006      -0.10107424      -0.20735333
K       11.44090000      10.28309998       6.11151005       0.63821196      -0.11226096       0.27796239
K       11.60760001      10.88199993       1.27038006       1.41890473       0.66995055       1.09686648
K        2.94347005       8.84615000       2.94140998      -0.05582981      -0.10572198       0.88126037
K        0.26991204       8.45196001      11.61099993       1.12981026       0.95242502      -0.76177559
K        2.23692002      12.55290002       6.88637002      -0.13009254       0.14083732       0.23684821
K        4.12288006       8.84770995       0.20724197      -0.75548048       1.01018108      -1.31066460
K       10.45600005       3.36530996       6.05925005       0.81399071       0.31299617       0.17215647
K        3.23776006       5.93801999      10.04199996       0.46283364       0.17435686      -0.52832487
K        6.65078002       9.41983003       9.85061998      -0.05184977       0.02480721       0.31707353
K        4.63349006       8.25132996       5.35759994       0.36090184      -0.08344547       0.47243815
K        4.41268994       4.04698998       2.27524006      -0.49368078       0.59492679      -0.07130816
K        9.35604998       6.55243997       3.15387003       0.15044614      -0.29919226      -0.33041517
K        9.05845004       2.07989995       3.21187999      -0.22547167      -0.40883121      -0.74035538
K        0.93190200       6.91197004       6.66093996       0.64648470       0.36838545      -0.20230097
K        7.87986005       3.80149004      11.80049995       0.80999669       0.99242448       0.62901627
K        7.94015996       9.75537004       2.07998994      -1.30741446       0.44935900      -0.44348950
K       13.05539996       6.26171003       1.78997995       0.39349436      -0.63443452       0.77771964
K       12.54039997       1.57153000       1.76005002      -0.12848795      -0.17206653      -2.70630069
K        7.29890995      12.37890004      12.02409995       1.31109660       0.30405158      -0.01911905
Li      12.95110005       2.98786007       9.50217004       3.29021963       0.71509929      -3.36252752
Li      13.04169994       4.82887994      11.22640000      -1.99090087      -0.78623309      -0.10566486
Li      10.76260006      11.78129997      10.86559995       2.60330847      -0.61024083       1.63382910
60
Lattice="13.23443393 0.0 0.0 0.0 13.23443393 0.0 0.0 0.0 13.23443393" Properties=species:S:1:pos:R:3:forces:R:3 energy=-579.44807039 stress="-0.008481920646934957 -0.0038103146686485467 -0.006109420311671047 -0.0038103146686485467 -0.005240106191168809 1.1033583795008276e-05 -0.006109420311671047 1.1033583795008276e-05 -0.010894405899696924" free_energy=-579.44807039 pbc="T T T" config_type=melt 
Cl       3.63156004       0.99699001       5.21726002       0.00601887      -0.27584695       0.54072257
Cl       9.46825998       4.42856994       9.25755999      -0.87178811      -1.12566618       0.92316433
Cl       0.56841894       6.99790996       0.31497900       0.27584816      -0.39486873       0.54665022
Cl       6.01392000       1.42476000       2.40323001       0.03486370      -0.11303826      -0.69941133
Cl      12.98540000      12.29290004      12.90480005      -0.12379363      -0.13770948      -0.66005097
Cl       2.67264999       3.16500998       1.17892007      -0.26674086      -0.79365097      -1.18922405
Cl       6.39472998       1.33201004       7.73366997       0.43982019       0.53882711      -0.13568915
Cl       7.89767995      12.99260006      12.45070002       0.91317485       0.50181625      -1.13013172
Cl       8.45372006      13.01980397       4.45748003      -0.27920642      -0.23164512      -0.38028294
Cl      10.90149994       2.30952995       1.02837004       0.26097619       2.99841680      -0.86674988
Cl       1.58494998      10.13869999       9.98741996       3.57058757       1.56574768       6.06174033
Cl       3.82563997      10.22200004       6.55038003       0.39492409      -0.43144963       0.81559920
Cl       9.55648006      12.40190003       8.34426996      -0.21320668      -0.04167375       0.15994860
Cl       8.91027004       7.84386000      11.68849998       0.20090525       0.70131440       0.55786393
Cl       9.46738002       6.29156003       2.46125995      -0.22074680       0.15971234       0.09590615
Cl       5.02308003       4.00684994       4.21256002       2.12549718       0.46403224       2.30035230
Cl      13.00049996       0.66590404       4.96242001      -0.22641313       0.22758022      -0.14837501
Cl       8.55416001      10.56530006       1.73166004       0.58822003      -0.68784412       0.01334657
Cl       7.75850995       8.53152000       7.17354003       0.03274643      -0.06945393      -0.13686133
Cl       0.62371902       2.03994003       9.27111006      -0.01827364      -0.13751718      -0.13890628
Cl       4.75357998       5.26463003       9.56540999      -1.62547549      -1.47666504      -0.37047973
Cl      12.86139997       5.91177002      10.41489998      -0.59132717      -0.13871423       0.33174119
Cl      12.34830004       9.59863993       7.50150995      -1.41168447      -0.38969082      -0.83202920
Cl       1.39576005       6.06653998       7.18681999      -0.00307456      -0.06190771      -0.51178720
Cl       6.98537999       4.64529002      13.13429995      -0.05830053      -0.33961852       0.61952055
Cl       9.97458004       4.88821004       6.13590998       1.02572411      -0.82884511      -0.42760754
Cl       4.10060002       0.18317105      12.20860000      -0.05427025      -0.04701248      -0.75095269
Cl       4.56205006      10.02759996       2.10876994      -0.44028373      -0.66026697       0.68412833
Cl       4.48501004       8.20586994      11.75569994       0.96067170       0.39821800       0.18781815
Cl      13.00020390      10.96920003       2.94244002      -0.11737043      -0.53788459       0.15011248
K        2.59007996       3.26312001       3.81980001      -2.08109110      -0.57999975       1.24527747
K        4.15566996       3.45492005       7.46728993      -0.31470048      -0.32285369      -0.42881097
K       10.06809998       0.06996608       1.64937005      -1.11679498      -2.97080968       0.63254758
K        7.76266000       1.95697005      10.48120000       0.07187537       0.29992085      -0.03039022
K        1.53047004       3.05677997      11.77380001      -0.16134418       0.13138170      -0.43814495
K        9.42252006       1.38980998       6.44757005       0.34552085       0.82072779       0.49693150
K        2.06727006       7.08477999      11.04790005      -0.12459112       0.02417085      -0.04607646
K        7.89442004       5.99074002       5.21430000      -1.34705171       1.00445586      -0.44541414
K        3.77853001       7.29262002       8.13315996       0.04412260       1.56100282      -0.61706609
K       11.29809993       5.31070002      13.08870005      -0.23816604       0.07348594      -0.06826810
K       12.01399996       4.74153002       8.00467995       0.94903308      -0.64343535       0.03052304
K        8.55946993       3.48768996       2.72417006      -0.01506391      -0.18222936      -0.36759987
K        6.20456004      11.70239998       0.79807197      -0.40579660       0.50424624       0.12723422
K        2.81289000      10.93840006      12.91260002      -0.45452694      -0.58878340       0.01455123
K       12.99020000       7.81906000       5.19761998       0.07764584      -0.04509358      -0.18179016
K       11.75180002      13.12280002       9.99876002       0.73594782       0.09174126       0.37369133
K        4.25461998      13.00260000       8.52520003      -0.80253054      -0.69547293      -0.11111755
K        4.68415002       4.90964995       1.83656000       0.42677889       1.20608243      -1.77498958
K        7.22869996       7.79652996       0.80346394      -0.03573073       0.12570374       0.05486797
K        2.33418993      11.48400005       4.65813006      -0.60049363       0.52120433      -0.71380107
K        6.86358998       5.99140002      10.68310002       1.58548572       0.73645394       0.65430188
K        9.64400003       7.13725002       9.19173998       0.75566309       0.56229783      -1.06291179
K       12.14859998       9.22326004       0.03593599      -0.37352889       0.70918308       0.26188133
K        7.89455000      10.75720001      10.15850003      -0.00958537      -0.22413296       0.11685874
K        0.01045838       1.06197002       1.65446001       0.89596834      -0.45456268       0.92788625
K        7.20794003      10.05919996       4.22125994      -0.43070896       0.25948636       0.39065422
K       10.65660005      11.20459998       5.83530993       0.15121020       0.37764015      -0.54195378
Li       0.74771402       9.74379004       8.57355005      -2.01648075      -1.47514465      -4.98769767
Li       4.58013994       1.45903996       0.55831498       0.17087871       0.66651650       0.81117409
Li       5.73704003       1.43250995       4.64077998       0.01003299      -0.12787893       0.06757563
60
Lattice="13.23443393 0.0 0.0 0.0 13.23443393 0.0 0.0 0.0 13.23443393" Properties=species:S:1:pos:R:3:forces:R:3 energy=-578.40571392 stress="-0.0052197443536682025 -0.0028730510670549915 -3.327421540665138e-05 -0.0028730510670549915 -0.011485272566773433 0.0022175331819696466 -3.327421540665138e-05 0.0022175331819696466 -0.0028640959494894663" free_energy=-578.40571392 pbc="T T T" config_type=melt 
Cl      13.01330004       1.89642000       3.87514006       0.05341773      -0.24043501      -1.14468062
Cl       9.39317998       3.59250999       6.00979006       0.85841137      -0.66742039       1.12061425
Cl       2.74910995       0.85604395       5.67623005       0.89692117       0.65625782       0.38615405
Cl       7.00384004       6.79079001       4.86234995      -0.02397423      -0.22241647       0.33042146
Cl       2.85951994       6.74060000       1.56343000       0.19396090      -0.13597568      -0.09604014
Cl       6.99249998      10.07969996      13.14810003      -0.41310451       0.56145930       0.08967824
Cl      11.54210001      11.30560002       7.41857994      -0.02306717      -0.22079534       0.08908498
Cl       7.14089994       2.53142998       2.31544998       0.12106407      -0.17232135      -0.16179990
Cl       8.14063993       1.96727002      11.05020006       0.32929854       1.32893726      -0.19461756
Cl      12.32600002       5.95769999       0.81724403       0.22994108      -0.06283508      -0.17387721
Cl       7.49870994       6.94312999      12.76620005       1.08286461      -1.12500108       0.48980349
Cl      13.10010006       5.91323004       4.48656005      -0.30471735      -0.01345381       0.40663181
Cl      12.80410003       0.83271694       8.33825002       0.24250275      -0.16846504       0.95100392
Cl      11.75139994       8.27059003      10.10909999      -1.76387547      -1.50165203       0.47440274
Cl       9.07121995       7.53510000       7.79886002       1.26026048      -0.97022416       0.89619686
Cl       4.58532003       5.00816006       9.73623993      -0.07507849      -0.11916797      -0.50376336
Cl      10.89540006       9.21170002       4.31736999       0.69408998      -0.31243736      -0.13965474
Cl       6.83984000       9.80451002       3.26187995      -0.84591917       0.77606814       0.74285023
Cl       2.97113002       1.86266995       0.14837402       1.03191535       0.48508231      -0.07137896
Cl       9.66140000      11.58219995      10.77559998       0.62430343       0.28118318      -0.43421251
Cl       2.68563999      11.95850004       2.99871998      -0.15192147      -0.06223024      -0.55198138
Cl       0.49532106       5.52402996       8.76454000       0.70326892      -0.26344886       0.03074517
Cl       7.16901001      11.28319994       7.18262997      -1.35662778       0.27778224       0.29611752
Cl       2.41270996       9.13319998       6.74761002      -0.48179237       1.00227768       0.23802678
Cl       0.62135297      10.26470001       0.07463188       0.06210711      -0.31169590      -0.22006571
Cl       4.82166002       3.96161994       5.55838999      -0.14977168       0.48098585      -0.05853980
Cl       5.45392002      13.22487245       9.85063997      -0.67158557      -0.03563885      -0.50112046
Cl       3.80709998       9.13956998      10.49729995      -0.16354626       0.41242607      -0.36919678
Cl      12.21329995       1.65492997      12.25570003      -0.74382948      -0.31246018       0.19267414
Cl       6.98846004       1.35790996       5.75963994      -1.19071513      -4.74575708       0.82983444
K        5.34995996       2.94260002      11.51310006       0.31595425      -0.69812762       0.52459198
K        7.05592005       6.04630003       8.22015003      -1.56715948      -1.26752838      -0.35827144
K        9.87586003       4.50995006       0.28664196      -0.30833455      -0.38912505      -0.07931422
K        3.93340995       2.73597001       8.14610999      -0.18515739      -0.73445024      -0.83498240
K        1.52533005       4.27745004       3.01773998       0.06241281      -0.08367173      -0.33412660
K        9.93105000       5.97329002       5.05596006       0.15596149       1.38306488      -0.74978167
K        4.97177000      11.91370002       4.65050001       0.20772189      -0.10904053       0.40293025
K        3.91889005       7.10561006       5.74669005       0.62821510      -0.84091869      -0.31767852
K        1.06149001       3.22552006      11.75410003       0.23804008       0.74031299      -0.67084346
K        0.48213996       8.29136002       2.69691003      -0.13204825       0.28096125      -0.56411921
K        7.28791002      12.83620002      12.05740004       0.01610793      -0.65751423       0.42217997
K        0.82107897      12.25060001       6.13005004      -0.31813482      -0.38302680      -0.34077049
K        0.68909196       0.97163402       1.36821006      -0.58836585      -1.20989441       0.10075668
K       12.91549995       8.06481999       6.27677002      -0.05998992       0.26581557       0.65890646
K       12.52729999       2.65575994       6.30214003      -0.23201165       1.03490570       0.83481796
K       11.03989996       5.66906003       9.02780002      -0.59381510      -0.23599149       0.15153280
K        8.23168000       8.95488994      10.81959997       0.53631940       0.37182047      -0.39688398
K        5.09598999       6.91349002      11.58540004      -0.83790548       0.49985036       0.52220181
K        9.22401996       9.59304005       2.10415999       0.43952309      -0.31346830      -1.13491115
K        8.34123001      13.05159996       3.42616003      -0.13596231       0.32922948       0.17285218
K        8.68710996       0.57332402       8.43765001      -0.17763152      -0.22365594      -0.05542239
K       13.20625094      10.13509996       9.39910993       2.00669795       1.23892151      -0.16463908
K        5.78502001       7.04026001       2.14232995       0.32282590       0.20905570       0.12787397
K        3.70862997      10.58149993      13.16120000      -0.17033581       0.11218489       0.25026842
K        0.60625301       7.24648995      11.66230004       0.44544974       0.12982525       0.50502241
K        4.22669003       2.00563995       3.12707003       0.18560025      -0.17369362       0.29990874
K        9.30460006       9.73448994       6.59445996       0.08903061       1.32388774      -1.00533298
Li       7.46605000       3.05711996       5.39773998      -0.03093997       3.87990043      -1.40662213
Li      11.82750005      12.45989993       9.74161999      -0.88705012       0.66501996      -0.05132051
Li       4.94818995      11.26499995       8.24991996       0.55018034       0.25672289       0.54786563
60
Lattice="13.23443393 0.0 0.0 0.0 13.23443393 0.0 0.0 0.0 13.23443393" Properties=species:S:1:pos:R:3:forces:R:3 energy=-575.64787795 stress="-0.014537107493411253 0.0005154612102551035 0.004403169924223126 0.0005154612102551035 -0.009673899755359606 0.0007430176264871384 0.004403169924223126 0.0007430176264871384 -0.019601071256625344" free_energy=-575.64787795 pbc="T T T" config_type=melt 
Cl       5.42897999       2.75195006       8.45144995      -0.17166121      -0.44557524      -0.09971851
Cl      10.11389999       1.96577003       2.11605999      -1.26489399       1.46793404       0.42056393
Cl       4.53622002       9.88621995       7.58425996      -0.11816497       0.01292983      -0.66297391
Cl      11.18589999       5.90240004      12.55920001      -0.81144137       0.50160474       0.67426321
Cl       7.98379005       5.92110003       9.81316998      -1.86785502       0.18662885       1.08819304
Cl      12.40449993       9.01656002       5.45768998      -0.30929602       1.26450510      -0.88989282
Cl      11.37929993      13.13529929       5.02340997      -0.00658200       0.56595727      -0.64498372
Cl       4.25492001       5.25110999      11.81439995       1.02457648       1.48317159      -4.31758755
Cl      10.37680003       0.95476806      10.06629996       0.09803288       0.28515089      -0.10161214
Cl       9.30559000       3.05399994       6.41069998       1.88851973       0.79317404      -4.32638843
Cl       7.98256005       9.34191997      13.12110006      -0.52501852       0.02216454      -0.14220912
Cl       8.51813006       7.13300004       6.20918997       0.61065592       0.12462970       0.68387241
Cl       1.38545995      11.09809997       2.95530997       0.34890840      -0.57617988      -1.19479443
Cl       5.61717999       7.53786996       4.03720999      -0.79587809      -0.01135981       0.11649125
Cl       6.25898003       4.53290995       1.64496999       1.42502049      -0.60404293       1.04446127
Cl      12.42169993       5.38895006       6.17676005       0.19872029       0.50363685      -0.36058164
Cl       6.72131002      11.17779999       9.74388996       0.37756206      -0.19791540      -1.55946025
Cl       4.90834001      12.48579999      12.27909996      -1.20486862       1.05206859       0.41571980
Cl       8.38542998      12.68650004       5.88579003      -1.76880427      -1.12823352       0.29200790
Cl      12.89840001       4.56482002       9.53015994       0.54031590       0.37696922      -0.94800400
Cl       1.42445005       1.20269004       6.28956004       1.91324103       0.68946026       0.30366129
Cl      12.39660003      11.77840004      12.73459993      -0.54313764      -0.17228137       0.17610103
Cl      10.00400006       8.55781999       2.63939001      -0.63759450      -1.27451557      -1.25235446
Cl       1.39637002      12.48920004       9.73628003       1.04165420       0.46244159       0.04682957
Cl       2.06463006       9.01308002      12.39569996       0.03111637       0.35387608       0.62403506
Cl       0.78630894       2.51228002       0.67182103       1.24318468      -0.13445844       0.43640541
Cl       0.92843895       6.67503000       1.55647001       0.34936238       0.44926915       0.07110055
Cl      12.09109993       8.97925996       9.54060999      -1.20380951       0.03171523       1.61701095
Cl       6.31577997      12.54289995       2.43711002      -0.29182361      -0.37515429       0.82082408
Cl       3.15565998       6.37504998       8.76618001       0.22355939       1.44246051       0.52605404
K        3.87332998       4.41682994       0.68505705      -2.50927385      -1.45184702       4.11946890
K        8.08910002       5.81319003      13.19069995       0.22991172       0.52710504      -0.82411770
K        2.96317004       4.08245998       7.56587006      -0.38170947      -0.99775449      -0.61988340
K       10.25660001       5.65486994       8.64558997       1.39747219       0.20058001      -1.17199946
K       11.81810003       6.85873996       3.86538006       0.04795568       0.01825754       0.32206902
K        4.43079994      12.92980002       7.70281998      -0.05811390      -0.18508264       0.20538773
K       10.26209997      10.66440003       4.08575999      -0.07328498       1.20124797       1.07925425
K        3.87786000       2.22273006      11.31709995       0.08781713      -0.28000104      -0.46006860
K        7.94254997       6.14101000       3.79325994       0.28639341      -0.54753593      -0.51194896
K        7.00687999       2.05409995       4.91098994      -0.34154165      -0.25914781      -0.22605122
K        6.79057005       9.58189004       2.56670994       0.30495497       0.64850267      -0.39665477
K       12.72670003       2.82937004       6.99571000      -1.23130345      -0.17946294       0.74819897
K       12.50530000       3.58462994      11.93199994      -0.71447419      -1.26546037      -0.11190490
K        3.11023993       8.28913002       2.79904995      -0.26264560       0.35733023      -0.05862108
K        8.43565995       2.62087001       8.52102006      -1.81984354      -0.98274271       4.63945032
K       12.23359998       0.60721899       1.77964995       1.14872778      -1.48582683      -0.07694958
K       12.06120004      11.74550003       9.20727006      -0.72547572       0.76356340       0.18901356
K        7.61778001       9.75439003       6.99260004      -0.49663068       0.23044403       0.41908978
K        3.28795006      10.27979997      10.12340006       0.32721560      -0.01080823       0.14508797
K        0.40137299       6.90972006      11.46689997       0.63562781      -0.06228854      -0.42423452
K        0.27705096       8.19310996       7.67889000       2.28983632      -1.63007975      -0.99108669
K        0.52160994      12.29249996       5.14125003       1.19740402      -1.55829473       0.70945085
K       12.68450006       9.43353997       1.29708000       0.31263665      -0.01976610      -0.11778089
K        7.56414005       1.23440000       1.09865997       0.11707802       0.48483100      -0.81258556
K       12.67410004       4.56796995       2.22992999      -0.61012480      -1.19088615       0.06922576
K        1.94259005      12.10670002       0.14156609       0.41623398      -0.12394502      -0.31985330
K       10.37680003       8.76066006      11.72750001      -0.36510472       0.20533271       0.21825045
Li       6.64111001      11.56510000      11.68730002       0.84143020      -0.60438434       1.05377111
Li       9.74040004       0.88503199       5.66326004       0.30404853       1.48234935       0.28353327
Li       5.42271997       6.66712005       9.58949004      -0.14881833      -0.43426094       0.06545489
60
Lattice="13.23443393 0.0 0.0 0.0 13.23443393 0.0 0.0 0.0 13.23443393" Properties=species:S:1:pos:R:3:forces:R:3 energy=-575.78209729 stress="-0.01659334522477636 0.0032525197049735905 -0.0011534540237375557 0.0032525197049735905 -0.007106063078311024 0.003627499387113763 -0.0011534540237375557 0.003627499387113763 -0.00861119771745954" free_energy=-575.78209729 pbc="T T T" config_type=melt 
Cl       8.77046995       1.39121997       4.40829995       0.52854679       0.18582686      -0.10130226
Cl       3.65866998       1.24642997      10.30689999       0.43781595       0.50999124      -0.12423498
Cl      11.70919996       4.21907997       7.67769004      -2.58345151       0.47527126      -0.87473024
Cl       2.17977003      10.39800001       8.71813994       0.02696171      -0.03856173      -0.38772764
Cl       8.99922000       8.52110000       5.02797002      -1.70902860       0.20008574      -0.16651031
Cl       2.76430004       4.72711005       4.03023002       0.08645279      -0.44735839       0.17559826
Cl      10.44310005       6.67292004      10.25810000       0.57249566      -0.32452444      -0.03961971
Cl       0.07567066      13.15720002       2.40910001       2.21072038      -2.88275214       1.51808013
Cl       1.34347000       5.38244004       0.30301494       1.18754058      -0.29332956      -0.97412700
Cl       3.40511000       8.70155998       1.61162002      -0.57872109       0.43658450      -0.76887386
Cl       5.03766001       0.36889105       0.93215796       1.06814748       0.77403388      -0.87941543
Cl       7.43518002       4.33958002       6.47956999      -1.05057825       0.03333670       1.25089520
Cl       0.54762394       1.00209996      12.63920004      -1.04784525      -0.11035861      -0.60290623
Cl      10.15709996      10.30909995       8.75504006      -2.04726802       0.36416649      -0.29751961
Cl      12.94489998       9.83873996      11.31259997       0.27936076      -0.18579022       0.32041770
Cl       6.27498006       4.98176001       2.67018998       0.13255325       0.13479756       0.35555626
Cl       6.09378994       7.46560003      10.43090002      -0.17002653       0.31974777       0.09498112
Cl       7.37823000      12.89690002       7.16001999      -0.80403809      -0.11454563      -0.07858953
Cl       4.84912002       8.72983998       5.62271000       0.10582227      -1.82083080      -0.39167886
Cl       3.62169006       4.67300001       7.65519997      -1.18912178      -0.75008489       1.42280849
Cl       3.54485994       0.20719406       5.28691999      -0.37096403       0.25407393      -0.68132267
Cl       0.78162501       5.20266005      10.62249995       0.19056834       0.11053263      -0.81549905
Cl       0.74622700       7.20273995       3.51924998      -0.81939512       0.54629231      -0.04102607
Cl       8.75433003       0.49443197      10.08180000       3.31696892       1.16191033      -0.64596922
Cl      10.62240003       9.34478999       0.85774299       0.31597858      -0.81675346       2.07988610
Cl       7.32509004       4.00587999      11.95309999      -0.49567680      -0.03945940      -0.56479128
Cl      12.45539996      10.91680001       5.04008999      -0.63743280      -0.60735236      -0.35185298
Cl      12.88760005       0.49993101       7.59399998       1.15451955       0.38504359       2.68753714
Cl      10.51049998       4.33546001       2.03403006       0.37207931       0.17676811      -0.39344394
Cl       9.47002003       0.53018095       0.34563603       0.31616427      -0.34822584       0.08317654
K        5.93216005       8.06615998       2.62922001       0.31756784      -0.33697884       0.44447677
K        8.88943004       4.68904001       4.37687995       0.66670734       0.30237478      -1.32667432
K        2.45970994       8.11636004      11.75460003      -0.48243259       0.75397591      -0.10371720
K        5.83201006       3.47082003       8.97049995       0.29373036      -0.29519061       0.81700505
K        5.17322998       5.69138004       5.91111995       0.62259909       1.32383615      -2.06299198
K        6.51416996      13.13570002      10.73149993      -2.95517862      -0.58582879       0.92042362
K       11.01150006       2.14849005      11.44170002      -0.34814915      -0.01012056       0.04172284
K        5.36736999       2.17351001       5.35900993       0.82623662       0.49388409      -0.29258636
K        0.19915494       9.62669005       1.55042002       0.57690464       0.24635453       0.31282858
K        1.33642995      12.03870005       6.02976996       0.70337597      -0.18344729       0.79924880
K        3.16641997      12.55520003       2.35209996      -1.08495034      -0.69757764       0.72661888
K        7.65944994       2.54727994       1.25864999      -0.31521351       0.21924476       0.24441341
K        2.19313998       6.78577005       6.29925995      -0.18712724       0.49860709      -0.53846683
K        4.15455998       5.71477005      11.65090003       0.54876706      -0.81508912       0.19389708
K       10.01019999      11.45970005       3.89315000      -1.08200268       0.11110247      -0.29784219
K        2.82272000       2.40137996      13.15240003       0.69636422       0.18520325       0.03067265
K        7.29679006       9.06614004       8.22256995       0.39441317       0.06968938      -0.43577015
K        0.80661201       3.56285996       8.09215003       2.99547001      -1.38639338       0.27210820
K       10.69480006      11.38269999      12.46679997       0.15305866       1.59957278      -1.17988772
K        1.13362005      13.13370004       9.86617005       0.40254222      -0.61323587       0.68342208
K       12.04919998       6.36004994       0.31471497      -1.04429011       0.14306780      -0.22388048
K       11.75529999       1.64361002       1.84369998      -2.11976875       2.50182639      -0.92105763
K        8.97220005       2.57048996       7.70820004       0.83846715      -1.36177272       0.50332296
K       11.75010005       0.70589400       5.49660993      -1.78655737       0.40095233      -2.95661255
K        9.19930002       8.47039994      12.05369995      -1.10406724      -0.73660742      -1.28117061
K        4.63781005      11.17449998       6.34930001       0.52480873       1.19123730       1.13651079
K       11.54690001       8.23066995       4.98185001       1.33767219      -0.63847967       0.12792788
Li       1.31510001       5.39886001       2.28902994       0.60598939       0.09105965       2.22018683
Li      12.24610004       5.46769005       9.35763997      -0.81955639       0.79816576       0.65533029
Li      11.95229997       9.85395996       9.25793002       2.02547060      -0.55796794       0.68274524
60
Lattice="13.23443393 0.0 0.0 0.0 13.23443393 0.0 0.0 0.0 13.23443393" Properties=species:S:1:pos:R:3:forces:R:3 energy=-578.61089906 stress="-0.009613580662729392 0.004965553027498028 0.00043627359863170463 0.004965553027498028 -0.008421350333562427 -0.0037348279973103953 0.00043627359863170463 -0.0037348279973103953 -0.005172844224790725" free_energy=-578.61089906 pbc="T T T" config_type=melt 
Cl      12.08290001      10.95669997       3.92391000      -0.89955888       1.12345278      -0.28340732
Cl       3.66029001      11.23380004       3.91113997       0.11766069       0.09175779      -0.82824394
Cl       3.85746997       6.76875997       1.95608996      -1.54437357      -0.25672319      -0.91682358
Cl      10.15870000       9.60396997       0.89074900      -0.95228927       0.79673994       0.19569690
Cl       6.99141000       9.25463994       9.17639995       0.80781634       1.10204202       0.13541988
Cl      10.60650004       2.72198995       7.07489995      -1.59932152       1.88755743       0.11346398
Cl       5.59093995       0.04136608       9.11464001       0.85611577      -0.81050791      -0.23011281
Cl      11.89040001       4.74831995      12.61349996       1.07868963       0.20474552      -0.29484403
Cl       9.77064999       1.61745997      10.97350003      -0.82155683      -1.19349275      -2.24449902
Cl      13.17464010       6.73046005       8.10742997       0.17242011       0.03763960       0.21021389
Cl       3.39849993       7.42592995      10.25779997      -3.65092118       0.10786429       0.32591111
Cl       3.91193999       8.03775002       5.80181001      -0.11889793      -0.20713650      -0.20345097
Cl       5.59214005       2.93557002      12.55329997       0.06275768      -0.00611988      -0.03078032
Cl       7.63062998       5.39522001       7.93803994      -0.24826282       0.57234613       1.07610408
Cl       7.70567001       3.26453994       5.11102999      -0.85560994      -0.59071127      -0.91429714
Cl       7.32566005       7.37309001       3.18731000      -0.13994498       0.36987825      -0.27072038
Cl       1.32163994       1.75789002      12.94259997      -0.19703200      -0.28822578       0.03572404
Cl       3.73139994       2.29375000       2.93819997      -0.53157095       0.08538129       0.16767207
Cl       5.10166001      10.73720001      13.10299999       1.26043720      -1.06545509      -0.37076739
Cl       0.36326602       8.08237004       2.79522004      -0.13058858      -0.81307782       0.26635902
Cl       1.18704998       9.93938002      11.41850006      -0.73647958       0.43322512      -0.17508318
Cl      11.63820000      11.89980003       8.63919006      -0.79590884      -0.38110452      -0.13279492
Cl       2.31027002      10.66749993       7.97525993       1.77102622       0.65096915      -0.95464122
Cl      10.16210006       6.73621001       5.69315001      -0.85328853      -0.76086691       1.36988088
Cl       3.52374996       4.46717002       8.24854001      -0.09284226      -0.20343686      -0.29071430
Cl       0.11145299       3.24974000       3.82599002       0.28565636      -0.31654318       0.07775659
Cl       7.42585001      12.21589998       5.75167003      -0.59815437      -0.45417406      -1.22507526
Cl       9.70841996      13.14231367       1.28985003      -0.14123979       0.06029898       0.21687318
Cl       8.55705994       6.27545002      12.17869998      -0.42750620       0.68066498       0.39721721
Cl       1.33574996       0.95735301       8.79310004       0.56462086       0.68752677      -0.72609885
K        1.17216998      10.47550006       5.05443003       1.03934151      -0.75056727       0.65811431
K       10.65230005       8.44789002       3.85357005       0.22020193       0.77481839      -1.49122499
K        0.10315500       9.59584998       8.47744000      -1.40019272      -0.81994482       0.85295365
K       12.61119995       0.64134305       2.77292002      -0.33797139      -0.26722792      -0.28065276
K       10.77980006       2.33866000      13.10160005       0.58883862       0.05630908       2.24225625
K        5.70928001       7.02636995       9.84683996       3.35186982      -1.95573677      -0.49604341
K        2.71441006       2.67985998       5.74419999      -0.08226220       0.33199658       0.11200804
K        8.74571005      13.19950005       7.76883995       0.47923154       0.86361183       1.27743382
K        0.95222004       4.35289002      10.29019999      -0.05595168       0.16944458      -0.20043538
K        8.42559000      11.44600002      12.06099993       0.10238565       0.56054028      -0.03856670
K        4.55766999      12.65210004       6.46563002       0.05712725      -0.51073828       0.12455748
K        3.45940003      12.52829999       0.68991501      -0.85191036       1.77233493       0.73247199
K       12.33069996       0.96414201       6.93690001       1.49498958      -1.57699588      -0.30301296
K        6.05376994       5.79174006       5.69670002      -0.53240487       0.33135810      -0.49941768
K       13.11059999      13.16710004      10.85099999      -0.35641466      -0.27502896       0.60211076
K        3.82270999      10.15270004      10.40779997       0.75517848       0.87868949      -0.16837673
K       12.48240006       5.22147995       5.68226006       0.09663154      -0.11500993       0.31309917
K        7.12369994       8.59186994       0.31186613       0.22228208      -0.42307404       0.16554713
K        6.44950995       1.91226003       2.92049005       0.73609509      -0.36372002      -0.28219569
K       11.26180000       7.34395996      13.21695971       0.23940244      -0.35657153      -0.22625377
K        1.45600001       4.77930004       1.51024002      -0.07644518      -0.22274549       0.02433383
K        8.00579005      10.80450001       3.30253997       0.16343036       0.03979859      -0.16363252
K        1.16408003       9.92316003       0.91590396       0.00657196       0.07709742       0.43422750
K        8.29607995       4.12511999      10.42540005      -0.02159973      -0.73681730      -0.06049777
K        3.89755006       1.86050996       9.99512002      -0.35112538       0.98821657       0.68112444
K        9.96810999       8.74173998       8.33284997      -0.43574096      -0.38421882      -0.18292517
K        5.73877003       5.27496003       1.09555994       1.56631245      -1.10496694      -0.54763414
Li       2.98740996       7.80319006       7.91312996      -0.17619759      -0.15212042       0.01024280
Li       8.67236005       4.56903003       6.33276001       1.73572021       0.15811273       0.26070183
Li       4.01167998       8.16971996       3.31468004       0.18075343       1.46864145       1.95374848
60
Lattice="13.23443393 0.0 0.0 0.0 13.23443393 0.0 0.0 0.0 13.23443393" Properties=species:S:1:pos:R:3:forces:R:3 energy=-576.56760377 stress="-0.007091530005179315 -0.0013853853821008146 0.001717630293859797 -0.0013853853821008146 -0.0095847528172844 -0.006629472513895767 0.001717630293859797 -0.006629472513895767 -0.010640638577966198" free_energy=-576.56760377 pbc="T T T" config_type=melt 
Cl       8.13267995       7.08406003       4.93298993      -1.51757872       0.75693991       0.01507830
Cl      12.65749996       6.03501000      10.97999999       1.23195079       1.08310527      -0.62951965
Cl       3.02362004      13.07480006       0.96961299       1.45580344       2.00167591      -0.06916808
Cl      10.70440005       9.00896994       5.66638006       1.17744266       0.56229075      -0.40365680
Cl       4.18353003       4.42913002       9.92125004      -0.67052587       0.00253545       0.40443996
Cl       8.75965001       2.81219995      11.76379994      -0.42401892      -0.07601860       0.06752519
Cl       2.82477994       8.61612006       8.04679006       0.29250069      -0.30581213      -0.40181098
Cl       5.69208001       4.49723005       2.77741999      -0.14920040      -0.85988894      -0.12307760
Cl      10.89089996       1.83026001       8.97945000       0.35954631      -0.33449584       0.57865677
Cl      10.69450003      11.84620004       1.13182996       0.35697128      -0.84836156      -0.96818344
Cl       1.05781004       9.64222000      11.23519998      -0.76660435      -0.50394629       0.20976107
Cl       9.53236996       6.07620998       0.33971098       0.90326919       0.36545508      -0.05636968
Cl       1.33701001       3.35144001       1.15807001       0.02946528       0.07764768       0.96250562
Cl       4.41198005      12.90029994       6.98320994      -2.29504605       0.83712886       0.08735511
Cl       0.79752803       7.46383006       2.43545003      -1.11478807      -0.50256936      -0.54346121
Cl      12.30530004       1.28034996       3.80299995      -0.08228748      -1.32814152      -0.26466620
Cl       5.50925993       9.49270001      11.08500000      -0.03114813      -0.31603714      -0.58130351
Cl       0.02316357       1.17953997      11.47890003      -0.22264435       0.17610132       0.18075571
Cl       9.78925999       9.74028001      11.34760002      -0.60968552      -0.32566963       0.32821471
Cl       1.74003995      11.80249994       4.13634001      -1.02903864      -0.00933748      -0.72839410
Cl      11.89439998       4.15418002       5.85858004       0.61984909       0.46360943       0.85360383
Cl       4.33801002       8.27707001       0.79477897       0.15973929       0.01694007       0.05577377
Cl       0.71033799      12.44990000       8.55997006       0.07113950       2.39058069       0.79101070
Cl       9.12914998      11.55250003       8.43035996       0.63760829      -1.74685880      -1.65960396
Cl       2.94747995       4.82831999       5.97093999      -0.32542539      -0.10317917      -0.00079734
Cl       7.58084998       1.92967006       7.48701996       0.33401036      -0.43820107      -1.13976425
Cl       7.53015005       6.33506002       8.50964996      -0.49205442      -0.52787663       0.50344763
Cl       9.63351995       3.12036004       2.73390994      -0.44847141      -0.38520592      -0.05296053
Cl       5.31268995      10.03050003       5.01569998       0.04784636       0.09625443      -0.05107324
Cl       5.90513004       0.02722879      11.56349996       0.41730658      -0.83559707      -0.66422337
K       11.43119996       3.76718003      10.86700002      -0.98945544      -0.93950511       0.18076112
K       11.93420003       7.99475002      12.94930004       0.19539403       0.14345755       0.03270557
K        9.64666994       7.95360999       7.90109006       0.13872366       0.25476891       0.33310172
K        7.95808998       7.07730002      11.39370006      -0.10887082       0.05788825      -0.37092264
K       11.88870004      11.83450001      10.67170001       0.17653113       0.08481737       0.02251886
K        0.79493699       6.76809004       8.07750004      -0.30644462      -0.84731449      -0.29940442
K        0.23197898      10.36379998       7.35098996      -0.68645542      -1.91424599      -1.75177100
K       10.10569993       5.60584999       4.22476005       1.29369341      -0.92484721      -0.56610164
K        0.65765806       3.42985998       3.76270997       0.24263289       1.14175936       1.18103517
K        2.54502995      10.78039998       0.16895502      -0.22084438      -2.36384895      -0.64959064
K        9.52240999      13.17840000       3.02751996      -0.21299154       1.12021042       1.08807212
K        3.33113997       5.84431001       2.01928995      -0.57780605      -0.21815006       0.18682429
K        3.47708997       7.11678998      10.74160006      -0.05791281       0.42354705       0.27794474
K        6.18513003       4.17375997       5.70087005      -0.10734765       0.21142219       0.26245911
K        8.79651003      13.15329997      10.31159993      -0.40996229       1.76768839       1.50518098
K        2.81246001      10.89510004       9.52767002       1.25688001       1.14336970       0.19968871
K        2.63014999       9.13250001       3.39924000       1.18078124       0.45170750       0.68602032
K        5.46939001       1.44601000       0.54018195       0.11198035       0.85854189       0.83358852
K        6.52162994       2.78091005       9.79457996      -0.17311743       0.19416033       0.57361299
K        0.60458997       2.71973996       8.31507996       0.03725745      -0.44760472      -0.30570629
K        1.98443997       3.14514006      11.95160000       0.78787013      -0.01117348      -1.68331160
K        6.78727997      12.09610004       6.90919002       1.58667914      -0.32722893      -0.40649934
K       10.91999996       2.04392995       0.22206401       0.37559391      -0.22014258       0.75376771
K       10.62129998       1.65567996       6.35090998      -0.51216591      -0.25663140      -0.94571055
K       10.19690001       9.04009997       2.85187996       0.08388238       0.10863030       0.03966424
K        7.33537995       6.51632002       1.87506995      -0.63133011       0.33169705       0.66579149
K        5.94970997       8.68387004       7.79124003      -0.29471929       0.01859783      -0.45612515
Li       3.30244005      12.73810004       5.02326995       1.16400454       0.03683094       1.05915364
Li       1.63642995       0.40322303       2.30158995      -1.53616489       0.28369425       1.14132246
Li       7.01123994      10.48710004      12.24300000       0.27775304       0.45483591      -0.28816492
60
Lattice="13.23443393 0.0 0.0 0.0 13.23443393 0.0 0.0 0.0 13.23443393" Properties=species:S:1:pos:R:3:forces:R:3 energy=-579.79047037 stress="-0.005793458947968691 0.0006446825565862108 0.0017190216011420659 0.0006446825565862108 -0.004884897955939516 0.0013640373611922825 0.0017190216011420659 0.0013640373611922825 -0.005479978059857108" free_energy=-579.79047037 pbc="T T T" config_type=melt 
Cl      10.03469997      11.55710005      11.81580002       0.18140082       0.55835115      -0.35194800
Cl       4.37728002      12.04109998       3.53764995       0.08593385       0.15727225      -0.10294624
Cl       7.48462995       4.73616002       7.51968003      -0.42329489      -0.02802705       0.44500991
Cl       9.42700005       2.08014995       1.94655998      -0.00858943      -0.33097299       0.19554473
Cl       6.10971997       1.56710997       8.88774993       0.64234226       0.21337297      -0.06149782
Cl       7.68483994      10.58059999       5.19711999      -0.20431500      -0.75831385       0.37073081
Cl       3.61800003       4.92400005       9.59959996      -1.16349391      -1.93885157       0.93720049
Cl       7.96354997      10.60780006       1.43503998      -0.15206960      -0.13074218       0.32559181
Cl       1.21677994       0.78106598      11.16570001      -1.20448698      -2.36080520      -0.70248721
Cl       5.86916004       7.42158005       8.76152996      -0.00953014       0.52609688       0.63473719
Cl       4.68572995       8.34196995       1.90598003       0.10816426       0.48019697       0.51754248
Cl      10.11769999       6.81136995      11.72839995       0.03749566      -0.34043452      -0.25166599
Cl       4.34973996       3.48211006      13.13409998       0.30396763      -0.34852421      -0.58888085
Cl      11.87739996       4.38081997       8.44696996       0.61660001      -0.20970030      -0.58707435
Cl       8.92535002       6.64951004       4.57474995      -0.74010718      -0.91515499       0.59878636
Cl      12.27499994       7.06850005       3.10892006       0.68793777      -0.40259208       0.36568741
Cl      10.92199995       2.37744006      11.89520000      -0.24004772       0.05296956      -0.26371538
Cl       0.70209294       5.15456003       0.75524904       1.51947029       0.30601856      -0.33486178
Cl      11.00579999      11.39750006       4.29608995       0.62399914      -0.02661355      -3.41531103
Cl       6.29982996       2.74078999       3.75537002       0.44223842       0.49730663       0.69763577
Cl       0.03296605       7.51244000       7.85606003       0.48821238       0.09086243      -0.72446262
Cl       4.59281006      12.25459998      12.00419999       0.27293971      -0.00641322       0.23768610
Cl       0.63665502       0.81220502       2.63987995       0.64952936       0.72957590      -0.66310537
Cl      12.76469993      11.66070000       7.13279994       0.20060227       0.32837160       0.74702817
Cl       6.47687995       6.15633005      12.63820005      -0.34338740       0.14895464      -0.46566377
Cl       3.18127999      13.18589995       6.85227004       0.66906546       0.14195294       0.95979759
Cl       3.82024005       8.58071001       5.81979997       0.78476144      -0.56274327      -0.71671925
Cl       9.61101995       0.30502697       6.56551996      -0.22786948       0.36567084       0.26681442
Cl       0.40053697       9.10584996      12.76210003      -0.07654391       0.33054847      -0.04805718
Cl       2.72401005       3.90908003       4.60045003       0.62134882       0.56153118      -0.87289614
K        1.68076001       3.07212000      12.01709999       0.24802108       2.34393788       0.93833708
K        3.54718999       0.86442796       9.64218996       0.07130349      -0.26033312       0.30208690
K        5.96073002       9.27327005      12.37430001      -0.00084984       0.00082027       0.24052905
K       11.66080005       0.03045601       1.40475006      -1.10115482      -0.34913283      -0.67542832
K        2.50018004      11.71049998       1.30027003       0.06718740      -0.27704389      -0.48785936
K       11.92549998       1.50562993       8.97233001      -0.05666494      -0.46633544       0.19906670
K       13.07120002       6.50617001      10.42210004      -0.23256639      -0.09852005       1.04006896
K        8.73180000       3.30289994       5.62592001       0.47278355      -0.49668248      -0.79631281
K        4.35556999       2.69677994       6.37572004       1.01349507      -0.53454642       0.58319936
K        8.59653005       7.91112997       7.70829996       0.48258480       0.04120621       0.13240279
K        1.50512001       9.67071995       6.60246004      -0.66113636       0.54283959       0.29287021
K        6.23238993      12.33449997       7.28015001       0.00917053      -0.08101012      -0.24319404
K        8.18077997       4.46528993       0.89693306      -0.03182076       0.19792171       0.03883123
K        9.33581003       4.43819005       9.53156994      -0.04223681      -0.04838372       1.24462220
K        7.78944994       0.43359301      12.25110000       0.16502748      -0.27024438      -0.16081948
K        4.31742994       5.55334000       1.76754997       0.01312526      -0.29381610      -0.23360209
K        8.32385003      13.08660001       3.72748996      -0.02171664      -0.17015950      -0.04153672
K        6.37768999       6.75899004       6.07542002      -0.64555044       0.33804556      -1.15265785
K        0.44309798       4.67976002       5.61509994      -1.94321800       0.47521723       0.67494670
K       10.43400005       9.27413995       0.14920593       0.30852296      -0.52280660       0.01809720
K       11.58959998       4.07439002       1.12185001      -0.69155123      -0.13130294       0.13096306
K       10.11489998       8.77515997       3.50272004      -0.07721305       0.89059348      -0.25879392
K       13.01480003      11.19970006      10.82589996      -0.09043518       0.11278791      -0.17923849
K        2.18079001       6.87491005       3.73380001      -0.36310944       0.51045795      -0.60684501
K        3.20900997       6.44208001       7.65783998      -0.47712680       1.28780947      -1.12653066
K        1.53249001      12.81329995       4.80799004      -0.34554494      -0.59766871       0.15391078
K        4.91487993       1.48160997       1.79352003      -0.57056302      -0.92115486      -0.13783406
Li       6.37274997       9.60767005       3.47842996      -0.31092413       0.50683583      -0.52303257
Li       5.27159994       5.16746996      10.74599998       1.15489697       0.39993044       1.03142099
Li      10.79110002      11.52629995       6.16682999      -0.48500973       0.74157365       2.45383190
60
Lattice="13.23443393 0.0 0.0 0.0 13.23443393 0.0 0.0 0.0 13.23443393" Properties=species:S:1:pos:R:3:forces:R:3 energy=-579.19735783 stress="-0.005728228836229939 0.0034187536622928612 0.0008908071316677649 0.0034187536622928612 -0.0073682312903214225 -0.0005230142976256816 0.0008908071316677649 -0.0005230142976256816 -0.009944217493352654" free_energy=-579.19735783 pbc="T T T" config_type=melt 
Cl       5.85234000       7.76526004       7.09714995       0.21518996       0.51802848       0.07527570
Cl       4.75828005       4.47793994       7.17504994       0.72455817      -0.61130796      -1.17729288
Cl      10.94160001       5.26902002      11.99820003      -1.00718228       0.02944071      -0.99799828
Cl       3.73287002       5.26768996       3.30801995       0.07832574       0.35057170       0.56904997
Cl       2.90518006      10.37880002       1.46740002       0.17398571      -0.45444829      -0.14546049
Cl       0.31241906       9.00020001       8.48300005       1.39030364       0.19152356      -0.09451563
Cl       3.87311995       1.43787003       3.83889002      -0.01565282      -0.20717334      -0.52115159
Cl       0.33498007      11.45340006      12.21170004      -0.19475945      -0.62077756       0.51288046
Cl       0.04860280       3.80261999       6.07206006      -0.21250082      -0.39360191      -0.22013888
Cl       5.74228999       4.63497999      11.58399997       0.68830359      -0.48371212       0.35775189
Cl       8.76002004       2.75065997       2.05118003       0.01702471      -0.03493545       1.27077761
Cl       2.14030998       6.78231004       7.39662997       0.28074502      -0.15595380      -0.30409970
Cl       5.71957997      12.59429998      12.95130002       0.47562210      -0.96516843      -0.34674847
Cl       9.94978004      12.09910002      10.51090005       0.52285203      -0.25485855       0.25540525
Cl       2.14910002       2.35855995      12.83070005       1.06733824      -0.87152431       0.51096586
Cl       3.94780001      11.17380001       5.10781998      -0.06065038      -0.47708955       0.33093443
Cl       1.13198004       3.85502001      10.18139997      -1.09295386       0.97932442       0.67902657
Cl       8.57766000       1.58735997       9.99865004      -0.82196138       1.01286686       0.38756346
Cl       9.86690998       6.77701998       7.35846993       0.33661075      -0.29441840       0.99767241
Cl       9.03306997       2.15955006       5.46471005      -0.44453825       0.05099907       0.70820298
Cl       8.19051999       9.49512006      11.37700005      -0.61157841      -0.13138291       0.03852279
Cl       9.75880001      10.53540003       6.21359002       0.20858466       0.08799913       0.26235141
Cl      12.54380002      12.14479997       2.76830001       0.00417142       0.27924073       0.22943958
Cl       3.20203000       7.31417005      11.36489994       0.26322680       0.13635604       0.06844389
Cl      13.01550000       4.26246006       2.61730002      -0.47368096      -0.34539700      -0.61337110
Cl      10.30629994       8.61436994       2.74940005       0.42941502       0.05927729       0.26328165
Cl       6.86970998       6.98016999       3.21598002       0.77260228       0.23360273      -0.43992981
Cl       0.56716405       6.76388004       0.63756396       0.46515516      -0.14032738       1.39657094
Cl       5.21151998      11.82820002       9.07524004      -0.05981592      -0.08910984       0.31747681
Cl       1.48856003       0.14314298       7.81861003      -0.56085410      -2.22150506       0.57323129
K        8.47672005       7.95685004       5.39839998      -0.20882236       0.22589645      -0.70176265
K       13.12410004       3.82274996      12.72729995      -0.07975204       0.16379555       0.77901526
K        5.11827995      12.00710005       2.62625999       0.16328276       0.45064267       0.15425127
K        5.05819999       1.92091999      12.93749995      -0.37332913       0.79630346       0.03073769
K       12.99639993       9.45182004       1.47992999       0.08627244       0.02494972      -0.15932973
K       11.15110004       9.58303998       8.96694002      -2.84904913       0.66499970       0.54557687
K        2.01139997      11.73770005      10.21210002       0.75311497       0.22208487      -0.91812628
K        6.66660999       4.32136004       3.76327997      -0.05614127      -1.15991205       0.64070262
K        6.79280998      10.52430005       6.70871005      -0.19920914       0.48063469       0.22103744
K       11.23330004       2.32645997       3.58096003      -0.09754928      -0.23973886       0.62427205
K       11.07210000       0.84450101       8.74928004       0.13136599       0.14366045      -0.60465262
K       12.22449998       9.22717995       5.18161995      -0.31540503       0.07945920      -0.05935555
K        1.38026001       0.08036795       5.07459004       0.35389415       0.09244946      -0.77080752
K       12.58669997       6.03265996       7.76082994       0.25935734      -0.40160055       0.11808693
K        8.43852004       3.14067000      12.83179997      -0.08608636       0.25340760      -2.34351373
K        4.54428998       8.09540993       2.45616006      -0.78992674       0.38108324      -0.00326079
K        1.69928001      12.91740002       1.20203003       0.27134808       0.66438213       0.03813894
K        4.84341002       9.82560995      11.59309996       0.53297222      -0.08339831       0.08827739
K        9.72006004       6.34607001       1.00596997      -0.19247401       0.44344110       0.78542260
K        3.05870995       9.67331999       7.58984000       0.38709356      -0.02759244      -0.14436146
K        3.75726003       5.05339999       0.57190396      -0.59941188       0.12727962      -1.01117084
K        0.26151096       7.15564998      11.33539999       0.00123932       0.18228233      -1.51321911
K        8.16850001       5.24702995       9.85902994       0.29459560       0.44934153      -0.35782098
K       11.41080000      12.74310001      13.14569996      -1.06207004       0.16022866       0.21183727
K        3.68079994       4.83276001       9.52815996      -0.43965662       1.03468760       1.13165718
K        1.78324998       2.63398996       8.00604998       0.87043747       1.40051275      -1.37926385
K        6.47153999       2.25612993       7.92798005       0.33980779      -0.48242277      -0.47123817
Li       4.11223997       6.63686997       6.54410003       0.09083040      -0.73920366      -0.19154702
Li       1.54944001       5.16767999       3.25751999       0.01784814      -0.02947474       0.37107954
Li       7.52432002      12.23240001      10.91030005       0.23753638      -0.45471828      -0.05478083
60
Lattice="13.23443393 0.0 0.0 0.0 13.23443393 0.0 0.0 0.0 13.23443393" Properties=species:S:1:pos:R:3:forces:R:3 energy=-578.50666644 stress="-0.009037521651495566 -0.0010856340289945642 0.0007662432119294098 -0.0010856340289945642 -0.004924225367900214 0.0013277000565255035 0.0007662432119294098 0.0013277000565255035 -0.010688442115357574" free_energy=-578.50666644 pbc="T T T" config_type=melt 
Cl       5.86895994       6.40002998       7.77466998       0.50065201      -0.01704054      -0.07025057
Cl       0.06963046       7.00891995      10.56429993       0.06533298      -0.21820363       0.09241962
Cl      12.79980003       3.25498997       1.07162997       0.64730841      -0.77326583       0.52848968
Cl       2.03125996      11.34069999       7.61360004       0.23445556       0.13532188      -0.19793389
Cl      12.82469996       7.55733993       4.20929006       1.28907286      -0.05640343       1.25184572
Cl       8.98517998       9.09274999      11.50779993      -0.93074767      -1.27633239       1.64992204
Cl       3.05991997       1.93460995       5.47126004      -0.23954760      -0.07263520      -0.13632832
Cl      12.29620004       2.24948995       9.86417998       0.23104369       0.47409130       0.74781474
Cl       4.83367001       5.70594003       3.70962004      -1.23737018       0.03985245      -0.16984639
Cl       3.41472998      11.25700000       2.72614000      -0.47599153       0.52294048       0.21318110
Cl       9.50221001       4.46681004      10.80560006      -0.13147654       0.41332283       0.12395816
Cl       7.15712999       2.28732998       5.13738002      -0.85131410      -0.40123073       1.15848588
Cl       8.97618004       0.02447431       0.04351786       0.54476082       1.22014236      -0.39264448
Cl       9.98363001       7.64618997       6.57559004       0.08390576      -0.33656344       0.31173980
Cl       2.86143999       3.60829999       8.85769003      -0.05889722      -1.07073471       0.34072127
Cl       6.95631995       9.92899999       9.08097995       0.57180947      -0.12992532       1.78029437
Cl      10.11880004      10.83199998       9.27304996       0.49775981       1.18096492      -2.82710757
Cl      10.71040001       5.37696999       3.06296005      -1.70040876      -0.20226445       0.44389445
Cl       7.05776004       6.97576001       0.66819506       0.21198127      -0.16876005       0.23432478
Cl      12.33529999       8.37739006       0.94169800       0.17834656       0.13764342      -0.25747398
Cl       7.07426999      10.67300003       4.34309005      -0.56676654      -0.30421541      -0.45918669
Cl       5.44771002       5.02488997      11.32380001       0.05169165      -2.34551981       0.04211658
Cl      11.47990003       2.45456002       6.36200996       0.03266120      -0.09913926      -0.28086598
Cl      10.72360004      11.55519999       3.62062998      -0.78558238       0.68002323       0.49519833
Cl      12.20299998      11.79089996      12.71980000      -0.16700210      -0.03358360      -0.31326904
Cl       2.92183996       0.16102905      11.19899996      -0.23874615       0.97637648      -1.65916149
Cl       5.89908005       1.64402995       0.94983704      -0.61705037      -0.41493806       0.13198033
Cl       6.88895999       0.95950599      10.24000006      -0.63754862       0.24999003      -0.31217229
Cl       2.30656993       5.94424997       0.39917594       0.02069046       0.27536191      -0.35669869
Cl       3.58678001       9.61634006      12.69539994      -0.41536898      -0.07556427      -0.43653256
K       12.17789995       8.45035004       8.44525994       0.10778533       0.90668138      -0.17575679
K        5.78305999      10.22899999       6.95294001      -1.87096890      -0.34266364      -2.16948800
K        4.04994006       0.50021105       7.82336000      -0.41571766      -0.13142282       0.26553461
K        3.66876004       4.86942005       6.73683004       0.17769248       0.65594092      -1.73608258
K        8.84657999       7.47366006       9.21819998      -0.60303777      -0.36714247      -0.13376023
K        5.53655000       7.53972001      11.01609995       0.00688699       1.95746850       0.10520707
K        1.78362001      12.27310000       0.00728331      -0.27800512      -1.13171481       1.27139563
K        7.17427996       5.64381006       4.86835005       0.93884725       0.25395463       0.65606469
K        5.86952002       3.32448994       8.92740996      -0.03000585       0.90521080       0.17585952
K       11.68330004       1.58232996      12.71899998      -0.86086611      -1.37736465      -1.01341101
K       10.12519994       6.60109994      12.95419995      -0.14011749       0.11308791       0.21675536
K        9.09574005       3.07517001       3.56321001       1.20335207      -0.06764699      -0.74917399
K        1.36757997       3.67081998      11.14309996      -0.19676365       0.48659175       0.89101386
K        5.16393994       0.64175504       3.57042000      -0.35411444      -0.32729371       0.04516066
K        9.64416996       2.19428000       9.19839002      -0.21037902      -0.28450884      -0.67116515
K       12.48879997       5.57621002       6.62607001      -0.33846682      -0.37362281      -0.39213655
K       13.12640005       5.65839004       2.01255997       1.18321175       1.34403517       0.04779937
K        8.41411006      11.36339995       1.77445001      -0.23312482      -1.04990954       0.51126753
K        7.91895999       2.67109005      12.66909994       0.14097046       0.68399942      -0.50463370
K       10.22960004       8.29707994       3.84253001      -0.66205995       0.17342153      -0.76180035
K        0.34035100       0.37770505       8.43033005       0.30365345      -0.50685809      -0.32838206
K        7.92097003      11.82170006      11.13560001       0.08475446      -0.97948499      -0.19473247
K        0.17718194       1.11120000       4.21925003       0.05238653       0.31487881       0.04389324
K        3.41256999       8.33407998       2.11666004       0.32839577      -0.28971907      -0.00582705
K        4.92780998       4.47543003       0.95249306      -0.11503943       0.53031638       0.01390758
K       13.07709994      10.33730001       3.51778996       1.35941765      -0.51657152      -0.51123017
K        8.66933995      11.96790006       6.01672001       1.11277159       0.49640698       0.63700865
Li      10.51649994      10.28350005      11.08530003       2.03603934       0.48626219       2.05322632
Li       1.21964996       8.02289000      12.36420002       0.07758674      -0.21145807       0.33611447
Li       4.90543994       0.02110945      11.59809993       1.08726140       0.33941452       0.40045662
60
Lattice="13.23443393 0.0 0.0 0.0 13.23443393 0.0 0.0 0.0 13.23443393" Properties=species:S:1:pos:R:3:forces:R:3 energy=-578.47188172 stress="-0.002539470859316636 0.0003340051421626636 0.0022615206294739113 0.0003340051421626636 -0.004754706217218571 -0.0004813098630879735 0.0022615206294739113 -0.0004813098630879735 -0.00349854849161459" free_energy=-578.47188172 pbc="T T T" config_type=melt 
Cl       2.31466001       9.95683995       4.98816005       0.02831938      -0.28144446       0.37807788
Cl       4.36971006       7.31681005       8.18361002       0.08747054       1.58456343       0.33727233
Cl       9.37617995       3.31086006      10.74330002       0.93810049       0.31681393      -0.06173908
Cl      11.48980005      11.34580001      10.34060002      -0.27170756      -0.40080301      -1.20642711
Cl       7.46035999       7.37578004       0.32110006       0.26527999      -0.80603108      -0.00073563
Cl       4.00796004       4.32281000       0.51921000      -0.31626726       0.08521192       0.48030518
Cl      12.15289998       4.89199005       5.92979003       0.22468533       0.08908299       0.55840246
Cl       9.83051000       7.78160999       4.34741996      -0.70364666       0.43584772       0.10221241
Cl       1.31768006       1.06313994       9.16156005      -0.64655446      -0.03676764      -0.14928948
Cl       4.43138001      12.26389995      10.03080005       0.88457583      -0.14483385       0.23046825
Cl       1.11938999       4.50316000      11.05739999       0.61153627       0.89335339      -1.72281393
Cl       4.68070999       9.00621995      12.92550002      -0.81872440       0.31969044       1.03586112
Cl       0.09946604       8.47265006       8.10935995       0.14823233       0.03812467       0.24274498
Cl       4.42174997       0.34898593       6.66996995      -0.31808324      -0.08806340      -0.48720513
Cl      12.42479996       0.12205801       4.35701003      -0.71961039      -0.54040136       0.78805180
Cl       8.93018998       8.28247005       9.18249004      -0.41884836      -0.08325221      -0.19826168
Cl       6.65718006       1.92637006      11.43699995      -1.09669330      -0.74476339       0.78296993
Cl       5.81028005       4.36161006       8.87526999       0.54857769      -0.29482451       0.77452535
Cl       5.73631001       9.51934000       3.79560005       0.00763189      -0.53398888      -0.09777810
Cl      12.86880000       7.67878995       2.05851998       0.44614657      -0.55383327      -0.25297236
Cl       3.74382006       4.52173003       5.97466005      -0.20293577       0.25987797      -0.17426503
Cl      10.16640006       3.92221997       1.05949995       0.55108789      -0.06139643       0.23360084
Cl      12.61790002       1.08502004      12.99489994       0.74655230       0.16242946       0.94909933
Cl       9.46417001      11.74430006       0.48662405       0.11012540      -0.02314173       0.62315751
Cl      10.23369994       1.37860994       7.74517996       0.23666578       0.28511639      -0.24006298
Cl       1.89576000      12.00330005       2.27267999       0.46449271       3.08387062      -0.07765338
Cl       8.86872001      11.36780000       4.51950996      -0.74538694      -0.17784343       1.63502844
Cl       1.11410998       3.14625996       3.44882996       0.18348339      -0.45369851      -0.50255721
Cl       1.22196003      10.27080003      12.82669995      -0.32950309      -0.87421619      -0.37359275
Cl       7.78228997       1.99419005       4.05565006      -0.62457842      -0.09160321      -0.59059902
K        1.89269001       6.15239003       7.91307000      -0.46953865      -0.17528703       0.01345811
K        6.95197006      10.02829993       6.64796995      -0.10678258      -0.07752266      -0.21571674
K        8.54591006       0.58871804       9.98159006      -0.33905142      -0.33205157      -0.15683152
K        9.77425002       6.38589997       2.06215998       0.41778215       0.36501852      -0.61068617
K        5.66988996       8.41815000      10.55419994       0.97359168       0.06201789      -0.79559547
K        1.52696000       6.08682995       4.39972999      -0.45359468      -0.00800241      -0.14709278
K        2.57278004      12.67480001      12.09549999      -0.54408079       0.19471555       0.27497747
K        6.19664995       6.24151005       2.95487006      -0.05393635       0.15329115      -0.12591631
K        8.85874005       1.57777997       0.86071795      -0.36506718      -0.53080862      -0.28528461
K       10.88320003      11.90210004       7.11477993       0.22505942      -0.09070710      -0.15793488
K        2.24812998      11.26920003       8.71766999      -0.61355537      -0.27707522      -0.71039499
K        2.79044995       9.59809004       2.11634996       0.91888913      -1.64636032      -0.42831948
K       10.49800005       2.60392001       4.24341994       0.55061011       0.26712051       0.17391706
K        3.48529003       1.67590006       2.30413003       0.10228931       0.54205184       0.01446665
K       11.58219995       0.68415194      10.42080003       0.54317812       1.65836584       0.07370878
K        3.89382999       2.26211997       9.51812005       0.51796593      -0.44493350      -0.07754374
K       12.48690003       4.08695003       8.98351999      -0.65514210      -0.51032162      -0.19679983
K        4.96411997      12.27099996       3.90030997      -0.06611899       0.13718583       0.76896147
K       10.76680001       7.98126995       6.84522006       0.48749062      -0.25324928       0.59224544
K        0.98570104       3.97622996       0.31821693      -0.81268124      -0.72233611       1.79979434
K        7.13509995      10.04590001       1.20232000      -0.00134247       0.12966256       0.00856538
K        6.26187003       4.57865001      11.98910003       0.62635859       0.50502433      -0.07685704
K       11.37789999       9.10158001      11.70560006       0.04637546      -0.65670374       0.56016070
K        8.65370995       4.88157998       8.51730000       0.12317489       0.00253373      -0.15520648
K        2.40075000       7.13036996      12.33290006      -0.22051017       0.23556822       0.06703589
K        0.02035403      10.22170001       3.26733994      -0.90907395       0.00301142       0.41077189
K        1.58514003       1.74406997       6.10293004       0.16353761      -0.09995612       0.13554392
Li       5.25052000       5.64947003       7.36938000      -0.30841812      -0.55643183      -0.97193629
Li       0.32895602       0.50206201       2.67819006       0.29604417       0.36727698      -1.10163568
Li       9.92559001      11.62480001       2.87988998       0.65612296       0.39582644      -1.69568004
60
Lattice="13.23443393 0.0 0.0 0.0 13.23443393 0.0 0.0 0.0 13.23443393" Properties=species:S:1:pos:R:3:forces:R:3 energy=-575.96311198 stress="-0.010957758471867973 0.0004242779735860692 -0.00214667892749718 0.0004242779735860692 -0.007799886989837669 0.0017737797775260109 -0.00214667892749718 0.0017737797775260109 -0.005036082036929945" free_energy=-575.96311198 pbc="T T T" config_type=melt 
Cl       9.59015004       0.95739602       5.56709004      -2.43677466       0.32102346      -1.49006535
Cl       6.22517002       0.43128201      12.14510000      -0.18042923      -0.01253927      -0.11121135
Cl       0.80958394       2.91851997       9.19289998       0.44898725       0.02443280       0.11160515
Cl       3.39472997       7.64691005       4.94711994       0.16203204      -0.00411048      -0.18678705
Cl       0.45963904      12.83240002       7.20815006      -0.03867333      -0.82580011      -0.15306819
Cl      12.16319994       6.54704006       7.48662002       0.72364475      -0.37975185      -0.05692544
Cl       9.13942003       9.82845998      10.43020005       0.79181726      -0.99276397       0.13768238
Cl       4.43994004      12.85920094       8.36071997       0.19569089       0.29491221       0.04774752
Cl       9.37847004       3.01211005       8.74955994      -0.49685883       0.43153014       0.63157916
Cl       5.25535004       4.07148996      10.35869996      -0.58925474       0.17793186       0.79808190
Cl      12.42240003       7.18737001       3.92460005       0.37150188      -0.13259543      -0.19579462
Cl       2.64456004       8.64301997       0.44860205      -0.11007217      -1.09982327       0.64810967
Cl       7.65564994       5.68692996       6.83502001       0.97749234       0.29890923       0.72876785
Cl      10.74369997       4.58495000       2.08863997       0.03644003      -0.41780565       0.46403000
Cl       6.27208000       7.97498002      12.16429998      -0.18229377       0.39137145      -0.47537680
Cl       7.31012997       4.43951998       1.23887999      -0.53064160       2.27151701      -1.55965714
Cl       0.53326206       2.62215997       5.83756005      -1.53139982      -2.63754347      -1.10459562
Cl       1.20954005       2.66041000       0.90060402       0.23755070      -0.69649179       0.12779128
Cl       1.95808003       5.07525997      12.24569996      -9.55111424       5.42018583       0.41587372
Cl       0.59820594      10.53950006      11.36530002       0.46030816      -0.12771722      -0.30461301
Cl      11.51109994       6.61017995      10.93100003       0.61046717       0.14015385      -0.21048979
Cl       9.43608006      12.73200003       1.03913996       1.67008372       0.98876503       1.02744172
Cl      11.34210006       0.07396606      10.84209997      -0.29379176      -0.31494927      -0.20043780
Cl       7.99643000       8.82001994       2.08497998      -0.27360291      -0.21365461       0.07669358
Cl       2.60028001       6.21857001       8.81965996      -0.22536016       0.32578808      -0.08313739
Cl       6.99239993       9.86785002       6.90919994      -1.14605003      -1.00136498       1.18605056
Cl       0.43565705      12.19739997       2.38986005      -0.19727024      -0.84171511       0.00357431
Cl       5.57726997       3.64780001       5.20921996      -0.35315780      -0.96582277      -0.46772566
Cl       4.69876004      11.28460001       2.20917999       0.36935223       0.41519045       1.41833547
Cl      10.63539995      10.57000001       6.45724005       0.37406138      -0.29299459      -0.46375893
K        3.64211000      11.05179997      13.03869996      -0.36832773       0.78941457      -1.17427771
K        4.89963995       5.92349997       6.71414000      -0.77736073       0.50486641       0.58459904
K        3.41039994       1.57187000      10.71919998      -0.04063622      -0.24126167      -0.26714235
K        7.49954000       5.37816995       4.10001003       0.19209942       0.57664568      -0.79796613
K        8.29523996      11.25880002       5.24168999       0.30099867       1.32394291      -1.35629956
K        0.52072296       5.31575994       1.75314005      -0.28087685       0.11972324      -0.07207837
K       11.18820000       1.32775994       7.48644003       1.71722592      -0.14978013       1.99463804
K        9.39726002       1.61615003      12.29510000      -0.51988844      -0.05848007      -0.22928783
K       11.23269999      10.05109995      12.50790003      -0.01102552       0.40978155      -0.17369519
K        7.40103995      11.39429997       0.43697295      -1.70363227      -1.55442798      -0.32290645
K        7.51144001       2.38358005       2.55374006       0.32205010      -2.63748171       1.45695840
K       12.43519998       2.56832997      11.49449999       0.48157587       0.38231276       0.28045377
K        4.34170004      10.91639993       5.65837998       0.02046038      -0.19665952       0.26542464
K        7.21404997       6.31929001      10.00079997       0.08865076      -0.00916971      -0.12399346
K        1.72119001       8.91088994       3.02152000      -0.60483097       0.57650153       0.48070940
K        9.83962998       5.84779000      12.96830005      -0.81858421       0.19122167       0.40792173
K       10.66149997       4.55834005       5.45080000       0.33367952      -0.01458574       0.22030317
K        7.29856996      11.64300000       9.94063994      -0.86461906       0.71952599      -0.67466673
K        9.69219004       7.78021005       7.65218001      -0.48834974       0.70424564       0.27743886
K        1.36502995       4.87385994       5.85219006       1.10795682       3.70104676       0.48482697
K       10.44879999       9.20485001       3.30010006       0.58182631       0.17332766       0.39030841
K       12.62650002      10.08499995       8.45545006       0.22253065       0.27918280       0.34986920
K        6.34068003       2.55487994       8.32638005       0.51764631      -0.48680645      -0.75772853
K       11.72420000      13.17817329       4.34236997       1.14684203      -0.42654439      -0.40474536
K        2.68574004       8.46002004      10.97900000       0.10213683      -0.50639641      -0.87379763
K        5.11349001       7.09782993       1.28491994       0.16435038       0.03545765       0.39623526
K        2.58429003       0.65192901       2.70103997       0.18279664       0.32958530       0.02227013
Li       3.38150996       4.36852002      12.15189998       9.91287726      -4.52649106      -1.05804634
Li       1.36946997       1.53334999       7.52971994       0.06118685      -0.15890319       0.28820005
Li       0.33806607       6.19662004       9.62883999      -0.27144348      -0.39406169      -0.37324557
60
Lattice="13.23443393 0.0 0.0 0.0 13.23443393 0.0 0.0 0.0 13.23443393" Properties=species:S:1:pos:R:3:forces:R:3 energy=-578.57171873 stress="-0.005570191103864596 0.0006209894446613561 0.0028396576825145997 0.0006209894446613561 -0.006738998790663168 -0.00024735678005469495 0.0028396576825145997 -0.00024735678005469495 -0.008264101590365686" free_energy=-578.57171873 pbc="T T T" config_type=melt 
Cl       8.05677994       8.44077003       4.64927001       0.40363467       0.37090476       0.55375427
Cl       1.73029993      11.11410001       5.78421006       0.61871793       0.14935314      -0.59452101
Cl      11.52149996      12.02300004       8.22481001       2.47306374      -1.64990581      -1.63140851
Cl       8.06796000       1.54892003       7.26507996      -1.55415608      -1.05610809      -1.09674406
Cl       7.19741997       3.27507997      11.98469998       0.31415194      -0.28717793      -0.13528420
Cl      12.69150001       1.21017001      11.43649995       0.68360016      -0.06178878       0.29043800
Cl      13.19900006      10.40030002      11.76819999      -0.29288754      -0.61307973      -0.16659660
Cl       8.89767999       5.42985995       3.80570997      -1.07695851      -3.00408273      -0.18097276
Cl       7.85704997      10.32750005       8.89395000       0.73709406       0.23927812       0.18519026
Cl       2.91036001       4.50119006       2.68119004      -1.13334253       0.20049556       0.33170079
Cl      11.69770003       5.95591996       2.07793000      -0.10544542      -0.16048391      -0.42178166
Cl       3.59413994      10.19800005       0.65260198       1.34189617      -1.57705735      -1.19912061
Cl       9.20128995       4.01440998       8.34628001       0.70595180       1.12887336       0.88882649
Cl       4.50969001      11.14680004       8.33029996      -0.11845056      -0.26629267       0.09945268
Cl       1.15229000       0.42894905       1.71057997       0.07932556       0.36428516      -0.03593634
Cl      12.10859996       8.24406995       6.78333002      -0.36911007      -0.20630212       0.17911750
Cl      11.15849995       1.14199997       3.30503002       0.11314689      -0.40031500      -0.99028291
Cl      11.98039998       2.01899998       6.75341001      -0.37213371       0.16196198      -0.32254371
Cl       9.17350995       9.24046996       1.34605006      -0.38453641       0.01489995       0.00508642
Cl       9.64193003      13.09212287      11.64869994      -0.51831244      -0.36274916       0.76086437
Cl       4.45438000       7.08190997       5.56252006       0.55248890       0.20358064      -1.03972546
Cl       3.67060995       6.03354997      10.19449994       0.20787843      -0.03832475       1.80728052
Cl       0.15659803       9.48643999       2.52170995       0.17778928      -0.39230840      -0.97130880
Cl       4.04961000       1.80778000       7.94980998      -0.16752792       0.14888103       0.14053576
Cl       3.81022000       1.02596998      12.09549999       0.62712841       0.61141523       0.18428991
Cl       5.88570997       3.50902996       1.94236996       0.79711235      -0.29955597       1.03409227
Cl       5.84243006      12.25570003       3.95240004       0.81964929      -1.01464621      -0.66290655
Cl       0.77935901       5.23141001       6.49155999      -0.44744104      -0.44518355      -0.09966726
Cl       4.99860996       6.54704998       1.03620006       0.13030272       0.92987801      -0.62849618
Cl      12.95289993       5.77563005      11.62389993      -0.05340539      -0.30276617       1.00444122
K        1.73034003       3.63438996       0.20246606      -0.20580493      -1.10008289      -0.26303476
K        0.12355098       6.66705996       9.12484998       0.14070521       0.47923712      -1.23801038
K        6.19865999       8.98048004       7.03985001      -0.53020418      -0.07585265      -0.08712488
K        6.07850999       9.62899999       2.96740995      -0.23044379      -0.86370359      -0.17923066
K        2.09220996       6.76929993       0.06996608       0.47086378       0.62925898       0.06956533
K        2.48339005      11.28429999       2.63528998      -0.70569464       0.91399499       2.35879984
K        0.49974003       1.99112006       8.88369993       0.68649491       0.09150161      -0.20023210
K        9.37380000       2.43438995       4.84218001      -0.34887038       0.47908251       0.78974601
K        6.21635006      11.00410003      13.22009998       0.63444173       0.34907674      -0.40909751
K       10.92359999      10.13259998      10.03389995      -0.71759588      -0.24945565       0.09881361
K       11.16100006       3.47250001      11.02719994      -0.81428221       0.18427898      -0.32301079
K        2.06103003      11.99149997      12.48990001      -0.00753977       1.10284193      -0.27412983
K       12.48429999      10.45839998       4.86250996      -0.75408906       0.47208908       0.90580707
K        1.74636998      11.91240000       8.42020994      -0.20737698       0.02545440       0.20117704
K        6.31770002       5.91969996      11.60060005      -0.21448911       0.57670459       0.31070063
K        8.70161000      11.31109998       5.70257994      -0.04295318       0.15064618       0.27376997
K       11.92050001      12.27260000       0.75297206      -0.31993254       0.38675629      -0.11904310
K        6.35490996      13.08380000       9.28765998      -0.14503560       0.03047970       0.06542219
K        6.48772994       3.40009998       8.98844002      -0.38150533      -0.11829222      -0.09637775
K       11.76909994       8.49376004       0.26598301      -0.04919691      -0.45663148       0.12139433
K        9.44525999       3.34489002       1.26928994      -0.25171711       0.03227802       0.22800016
K        3.16896006       6.01993995       7.66418999      -0.14108342      -0.34260704      -1.10243143
K        0.26206601       2.87503003       4.27747995       0.10774717      -0.16214693       0.06005363
K        0.51688498       6.78112000       3.87880004       0.48610837       0.13289274       0.61417294
K        9.80460994       5.92431997       6.26944000       0.62004692       0.61270613       0.95754934
K        9.83043006       0.37916296       8.91500996      -1.02236699       1.85911641       0.93489464
K        4.76058999       1.04744999       5.14955000      -0.61493881       1.14251356       0.71430998
Li       5.33245001       2.71124994       0.09485728      -0.09401783      -0.66951908      -0.79589363
Li       9.42252998       7.15868001       3.12946996       0.55317787       2.29849947      -1.10230673
Li       4.99025996       5.49945997       2.96959006      -0.08967200      -0.29679653       0.19797300
60
Lattice="13.23443393 0.0 0.0 0.0 13.23443393 0.0 0.0 0.0 13.23443393" Properties=species:S:1:pos:R:3:forces:R:3 energy=-580.00664693 stress="-0.005250219245990386 0.002979119098377996 -6.366847991394684e-05 0.002979119098377996 -0.006431771139473115 0.0009999874603088454 -6.366847991394684e-05 0.0009999874603088454 -0.001824985686372088" free_energy=-580.00664693 pbc="T T T" config_type=melt 
Cl       6.46706000       0.62638205       7.57481997       0.07036568      -0.44101306       0.18075855
Cl       2.67891001       7.08547003       8.52711995       0.85477072      -2.55191074      -0.10526987
Cl      10.22850000       2.27970999       2.02467001      -0.45950485       0.41397825      -0.29534541
Cl       1.97708004       6.89830006       4.46101998       0.54131557      -0.27687455       0.33098005
Cl       0.64667494      11.56369993       9.63321000      -0.82987372       1.50516883       0.57410882
Cl       2.23298000       3.24551001       2.91915006       0.09333830      -0.94990744       0.95854402
Cl       9.10479002       5.50004003      12.68529995       0.82716692      -0.50583131      -0.92303148
Cl      10.63749999      12.05870005       3.25514005      -0.22134959      -0.80024676       0.02921953
Cl       6.18693005      11.71130000       4.09021006       0.34634598      -0.58431838      -0.41734292
Cl       8.85177993       7.13785999       2.12019006      -0.25993926       0.73399427       0.94724712
Cl       6.31149995       2.22921996       2.64561999      -2.13314188      -0.14200467      -1.55001020
Cl       3.21020001       2.11423999       8.08896000       0.13060067      -0.78059421      -0.68945899
Cl       7.53690001       8.80438994       7.17200999       0.34186149       0.50588479       0.11678550
Cl       4.69371004       1.55641006      11.36760003      -0.03096264      -0.46921649       0.30352747
Cl       6.99713005       9.05499003      11.67449994      -0.00954499      -0.76322213       0.22327424
Cl       4.13828004       6.48326001       1.05665997      -1.02185648      -0.51040858       0.67424052
Cl       0.43726199       3.98948001      12.54250001      -0.65916801      -0.31185217      -0.38730596
Cl       3.95559999      11.12589996       9.45036001       0.65701938      -0.20806238      -0.00240897
Cl       9.85545995       2.31052994      10.59490006      -0.16670963       0.30650775       0.05491490
Cl      12.00389997       8.60815994       9.60714001      -0.01909640      -0.20732987      -0.81076760
Cl       0.83450001      12.44790001       1.37337003       0.61720800      -0.37865526      -0.79066788
Cl      12.76119995       7.81863994       1.49309004      -0.32077820       0.59019168      -0.48941952
Cl       9.81391005      11.52729995      11.74919998       0.23307782      -0.02858878      -0.50870725
Cl       2.52721005      11.64280003       5.48204994      -0.25194086      -0.10619334       0.18707693
Cl       4.41817998       9.76954994       1.26894995       0.08253535       2.24185202      -1.87697680
Cl      10.93919995       0.89621204       6.60016003       0.06337624      -0.77805229      -0.07171919
Cl       7.50917004       4.46294003       6.05665994      -0.71780730       0.07501076       1.38488887
Cl      12.91950006       3.22849000       8.62902998      -0.92740580      -0.54258478      -0.15049113
Cl       4.95969001       5.15700999      11.25719997       0.16191561      -0.07963432      -0.60230848
Cl      10.52989993       6.22886004       5.26288996      -0.05673753       0.22017499      -0.15944930
K        2.02376001       4.14194003       9.60023998       0.91729687       0.75762837       1.19894746
K       11.89620000      10.72540005       0.64099803      -0.11149137      -0.07733422       0.12989109
K       10.05880001       8.54659005      11.61580006      -0.47570213      -0.54139767       0.60067005
K        4.34718995       0.64325397       4.27868998      -0.62409678       0.19003427      -0.04020725
K        6.51730996       7.71066006       0.96496705       0.29825946       0.27594608      -0.96538588
K        7.63906005       4.27458995       3.44211004       1.24881424       1.57229318      -0.99790133
K        2.60190996      12.81509996      11.85270000       0.03489046      -0.36556835       0.17396320
K       12.30350003       5.70253997       7.36857998       0.44900589       0.58952325       0.10333255
K        9.40689998       3.01331001       7.58122994       0.46587932      -0.33200347      -0.01401421
K        3.94580995       3.34346004       0.61262698       0.42754536       0.19104432      -0.50513776
K        8.78172002       0.66107903      12.84979999      -0.29465501       0.44637674       0.78694834
K       12.62580005       0.97056402       2.86418005      -0.00356930       0.58295734       0.60550421
K        9.18617001       9.19655004       4.13161002      -0.06858701       0.05501441       0.13432794
K        7.85385002       0.67543998       3.93352006       2.16757983      -0.93181944       1.01353938
K        6.93137000       2.62199996      10.00540000      -0.69060845       0.29496859       0.02537485
K        5.13695003      10.41129995       6.23707003      -0.23806652      -0.30923477       0.60540709
K        3.50856000       4.51522994       6.15517998      -0.09368341       0.21205252      -0.26288115
K        7.10478000      10.88739998       9.79948994      -0.25911657       0.75676078      -0.59507946
K       12.39260006       1.04703999      10.88270003       0.43470032      -0.21094668      -0.14697648
K        3.63845994       7.97603997      11.33589999       0.48382526      -0.23708948       0.37499904
K       10.16189996      10.95209995       7.91849003       0.33538940       0.06628678       0.09655460
K       11.01520001       5.62149005       2.14530002       0.39005069      -0.94641083       0.04350614
K        0.57099502       0.07724013       7.11996002       0.15435642       0.37691245       0.09792820
K        1.24280996       5.52894999       1.76524996       0.33581403       0.45521190      -0.16165176
K        1.75238000       9.38700995       8.49647006      -0.95826544       1.52872048      -0.62037448
K        7.71523004       6.17212998       8.48086004      -0.29932377       0.38448728       0.21214219
K        0.53990800       9.14384999       3.77078999       0.01004070       0.84589462       0.13659118
Li       4.32159005      13.04310001       8.41549994       0.12301517       1.03406572      -0.05073615
Li      10.97880002       4.05785002      11.88879996      -0.20594669       0.31987984       0.30962080
Li       4.22519997       8.55400001       2.68419002      -0.88843154      -2.16051586       1.57621201
60
Lattice="13.23443393 0.0 0.0 0.0 13.23443393 0.0 0.0 0.0 13.23443393" Properties=species:S:1:pos:R:3:forces:R:3 energy=-577.75442655 stress="-0.018431031558340413 -0.0008049758767270112 -0.00202316617775977 -0.0008049758767270112 -0.003566781624329642 0.001151647574958797 -0.00202316617775977 0.001151647574958797 -0.0070226009566797445" free_energy=-577.75442655 pbc="T T T" config_type=melt 
Cl       5.04567002      10.27030003       7.42715003      -0.05642165      -0.11699784       0.01922740
Cl       0.87349898       7.27811005      11.06919994      -0.50204971       0.18400415      -0.08411658
Cl      11.98250002       0.39586601       3.64409000       0.11317937      -0.27794079       3.03287219
Cl       8.05206994       4.41316995       4.32322001       2.57073434       0.93948184      -1.31208713
Cl       9.78028995       8.43381004       9.91941998       0.30560844      -0.41810916       0.62095506
Cl      10.97289998       2.30072005       0.79934896      -2.83313255      -0.53322970      -0.94168455
Cl       2.81378001       4.25174996      11.01470001       2.14751395       0.47192793       0.65221862
Cl       3.40261995       0.30897904      11.77979998      -0.53663344      -0.06362972      -0.03785025
Cl      12.65319996      10.43830005       5.15212000      -1.43849635      -0.53021899       1.41668624
Cl      10.75170005       3.30296003       8.61566003       1.34977291      -0.42765425       1.19840203
Cl      12.17439998      10.14189995      13.08330000      -0.13126044      -0.76804448       0.92694214
Cl       7.94916004      11.94660003      10.46230003      -0.37327996       0.28785416       0.03490015
Cl       9.51657996      12.14649994       7.48928000       2.96339221      -1.32317062      -1.24472079
Cl       3.52709999      10.72760001       1.27636997       0.63660052      -0.10940669       0.61667654
Cl       2.68048001       4.07824997       6.72413994      -0.10417526      -0.45250144      -0.23595909
Cl       7.01931996       2.84969999      12.45189998       0.30856206       0.82185757      -0.55590549
Cl       7.85283996       9.44691999       3.40022994      -0.30480729       0.24564282      -0.26846060
Cl       7.76094998      12.50160005       0.92008405       2.18284916      -1.20991281       1.12903387
Cl       7.24789994       2.04531996       7.93728002       0.02691106      -0.49441001      -0.17953638
Cl       0.87903004       4.20410004       2.41331994       0.24752091       0.45976004       0.22506279
Cl       0.28355198       0.67593601       1.32700001       1.05460580      -0.44021215      -1.39350957
Cl      10.54800001       7.60261996       6.39885000      -0.42524947      -0.25182356      -0.45789457
Cl       9.21332005       6.01606993       0.57113994       1.32999511       0.77792720      -0.34054504
Cl       1.13282996       7.15930004       6.57470002       0.87298990       1.10452815      -0.27574338
Cl       4.93829006       7.76917002      11.59680005       0.83428917       0.26920685      -0.67919899
Cl       0.58222404       0.36737095       9.14293999      -0.12271297      -0.18201249       0.21109979
Cl       4.76506998       3.22206005       2.62804995      -0.02140958       0.15684120      -0.46142608
Cl       6.64291996       5.78277995       7.86452994      -0.46862775       0.18243616      -0.15352353
Cl       4.88334995       7.49804993       2.37006994      -0.68587998      -0.61702571      -1.39694047
Cl       3.28838005      13.00997198       4.63626995      -0.26173095      -0.04848877      -0.06851118
K        1.42816006       2.17402006       4.62884001       0.04037448       0.19211678       0.08660233
K        7.98288006       9.74465002       8.29974999      -0.72167665      -0.00512600      -0.37971916
K       12.79680005      12.92470000       6.59516006      -0.54550987       0.30302124      -0.33578806
K       10.64329998      11.85519999      11.70569998      -0.63072850       0.33299510      -0.46895633
K        3.47214003       0.04156605       8.94722998       0.30197632      -0.32667721      -0.50497188
K        2.93728997       1.23029005       1.93931003       0.02710240      -0.14505085      -0.59769649
K        6.18973006       9.68466997       0.08436608       0.22315428       0.06669886       0.19052290
K        0.78799699       3.25061996      10.01339995      -1.83390013      -0.87481195      -1.03119967
K       11.10619998       6.71064003      11.95160000       0.96011030       0.56421935      -0.48577822
K        5.74551999       4.04199001       5.06881996      -2.37735764      -0.56521794       1.78542993
K        2.99568995       6.38323998      12.81939996      -0.54723861      -0.34266827       0.94051939
K        9.78579998       2.22782002      11.34219998      -0.43489250      -0.00533705      -0.23064008
K       10.46840005      10.38019996       3.28606998       0.36018962       0.61805340      -0.02729012
K        6.94555004       5.14207004       1.25847000      -2.00480307      -1.07341713       0.83565283
K        1.53647000      11.20870001      12.81020005      -0.40870432       0.65869860      -0.87400569
K        9.70343998       7.20034002       3.28688006      -0.01454486      -0.78259499       0.39130782
K        5.78901999       8.04626002       4.71771003       0.44266213       0.34764402       2.04183573
K        5.84548999       0.41640399      13.01899998      -1.03787921       0.79015745      -0.97822130
K        2.46694004       6.31293999       3.88462001      -0.11699174      -0.33476000       0.32100828
K        3.03855999       7.97020001       9.11371003       0.13624849      -0.18390190      -0.35784342
K        5.40972005       3.19528004       9.79903004      -0.29210963       0.29929012       0.11077138
K       11.73970004       9.82870005       7.94695995      -0.02776879      -0.42427119       0.05564016
K        5.57831006      12.02559994       2.78876998       0.23818527      -0.02207025       0.97916508
K       12.43930001       5.39639006       7.00395002      -0.28531512      -0.48445124       0.19256447
K        7.41598996       6.26920998      10.54120002       0.12804234       0.25180002       0.33208261
K        9.11514993       4.55693005       7.01315999      -0.93203739       0.50351832      -0.76002779
K        1.31601001      10.72979997       3.56444994       1.91976575       0.60318205      -1.45012614
Li       7.91421002      12.99361395       8.02064994      -2.28670689       1.67797980       1.23265796
Li      10.71489998       0.25482201       2.15634005      -0.83746214       0.78855226      -1.59833329
Li      12.67999995       2.98458997       1.37169005       1.87915813      -0.06425026       0.58837359
60
Lattice="13.23443393 0.0 0.0 0.0 13.23443393 0.0 0.0 0.0 13.23443393" Properties=species:S:1:pos:R:3:forces:R:3 energy=-575.78186214 stress="-0.015657578137342896 -0.0017838390430219416 -0.002845595298802653 -0.0017838390430219416 -0.011185727108570227 0.002067417616134023 -0.002845595298802653 0.002067417616134023 -0.012728011896602007" free_energy=-575.78186214 pbc="T T T" config_type=melt 
Cl       4.48708003       6.64066997       4.50303004      -0.14530846      -0.21109972       0.01327049
Cl       4.72501994       5.45192995       7.98690001      -0.12130385       0.37933317       0.08566785
Cl       5.49890994       9.68311003       0.56081298      -0.33532339       0.31223917      -0.34448498
Cl       9.25058001       4.09594997      10.91489994      -0.52341157      -0.43724484       0.28370277
Cl      12.64140000      12.07699997      10.74699997       0.99973720       0.82737101      -2.24752243
Cl       4.80091994      12.17009998      11.42179994       0.81590663       0.94314114      -0.19773537
Cl       6.35645005       0.58982405       7.30821005      -0.68643394       0.48590852      -0.82658137
Cl      11.85919996       3.87976999       4.51793003       0.55121945       0.62899383      -0.20908286
Cl      10.05419999      12.55010001       5.93900000       0.03095535      -0.09498835      -0.29011550
Cl       9.03925998       6.80982006       3.15053005      -0.16316824       0.72887773       1.27721381
Cl       1.30334002       8.20554001       3.29316999      -0.48673582       0.94809905      -0.58773434
Cl      12.53540000       4.70775006       7.88288994       0.05105387      -0.04604506       0.60994902
Cl      10.02340002       8.71008004       7.22403998      -0.30135847       0.94486002       0.45465630
Cl       0.37712300      11.26210002       0.18914402       1.06986189      -2.27344797       0.82223196
Cl      10.59169998       1.33915002       8.70064998      -0.35544036      -0.10649746       0.18849137
Cl       7.83331997       2.03580003       1.43990998      -0.34729274      -0.69660439      -1.07283225
Cl       7.32866003      10.87970005       4.17227996      -0.44847918       0.39031062       0.11012304
Cl       2.49479005       2.28433000       9.27033002       3.71096763       0.82201404       0.61670880
Cl       8.67427004      11.93520002      11.59430006      -0.77421581       0.28675557      -2.27212658
Cl       8.23460005       4.48933995       7.01733003       0.19138702       0.15031279       0.04823362
Cl       4.69960003       1.93963996       4.38675998       0.62908095      -0.79718456      -3.11885140
Cl       2.91284001       8.31309996       9.37142998      -1.54125599       0.22464063      -0.14635976
Cl      11.04790005       6.74659997      11.31830004       2.69527327      -0.42462921       1.70576610
Cl      10.94679996      11.78520002       2.09322001      -0.06816076       0.65514117       0.12007383
Cl       2.02588003      11.46909993       6.87436996      -0.72096855      -0.29593962      -0.69578292
Cl       1.23880998       0.53087894       2.42831998       0.39367523       2.71525063       0.27860753
Cl      12.00350002       3.08175996       1.08384998       0.94684446       0.84770527       0.41949064
Cl       5.69395003      10.40749995       7.83335994       0.55117640      -1.34662322      -0.18554945
Cl       3.62382994       6.22155001      12.00230006      -0.84326047      -0.29843029      -1.31583242
Cl       6.93973999       6.35147999       0.19446611       0.20575162       0.26832678      -0.35621738
K       10.23870004       1.85879001      12.84380003      -0.97999407      -0.73673030      -1.02005002
K       10.91810003      11.45060005      12.58669997       0.84973902      -1.10235976       1.18448992
K        2.89430003       8.18527002       6.56007994       0.22672695       0.51948960      -0.05777966
K        4.99048005       8.49142006      10.92859996       1.71951159       0.45098496       0.90591514
K        2.58968002      10.92459999      11.00189993      -1.72666275      -0.62104459      -0.06250501
K        8.56661997       4.54742998       1.62191998       0.39251057       0.55011064      -0.15354165
K        9.96639005       2.26156995       5.86392000      -0.18433610      -0.04077950       0.53587139
K        6.31971999       8.58260002       2.98949002       0.01143899      -0.81563762      -0.25664041
K        8.18404994      12.06550004       8.38615999       0.53295254      -0.73555287       0.06252321
K        6.68962004       7.09601999       6.89968002       0.36632218       0.37451350      -0.51991817
K        9.15755994       7.56607003       9.99826994      -2.03832866       0.69042671      -1.19404799
K       11.07079998       7.03216001       1.43362998       0.64501116       0.02449329      -0.80286635
K        4.52678003       5.20377995       0.96265896       0.42939836      -0.61501278       1.54910355
K        4.03995998      12.42679995       8.49537001       0.01648292       1.02147706       0.57306138
K        6.89961001      12.52469996       0.09387846      -1.29358283       0.01478557       1.27086769
K        7.69286993       0.42240303       3.52565995       0.16592952      -0.48591151       1.22538826
K        0.17526612       1.80694994       8.88940000      -3.06388154      -0.63032363      -0.65351826
K        1.32045995       5.92390004       4.56446997       0.07082553      -1.31832735       0.55089280
K        4.29278002       3.14002006       6.43863006      -0.34354049       1.06576612       2.53573287
K        7.72686999       1.97408006       9.26262996       0.38415339       0.86732262       0.46015580
K       10.81659999       6.34005999       6.25059998      -0.18931164      -1.04754594      -0.62222476
K       12.03579998      11.28820005       7.72840995       0.14627723       0.09764472       0.25958489
K        4.63392997      12.51439999       4.77636994      -0.06996850      -1.04201347       0.45957984
K        0.85124594      11.41549995       3.17863999      -0.56356941      -2.06499434       0.50386543
K       10.11650002      10.20500001       4.08317001      -0.33471565      -0.62589113       0.84821204
K        0.97354600       0.50673906      12.90359995       0.25090868       1.25327484      -0.60063698
K        1.19641003       7.85686998      12.45969996      -0.14603627       0.14956451      -0.18151597
Li       4.07671994       4.83151001       9.86551997      -0.72739764      -0.11422268       0.82345725
Li      13.00140003       2.71809995       3.06924006       0.08256979      -0.79012108      -0.44731869
Li      11.03670001       4.62270995       9.81434996       0.38979377       0.17606798      -0.34351565
60
Lattice="13.23443393 0.0 0.0 0.0 13.23443393 0.0 0.0 0.0 13.23443393" Properties=species:S:1:pos:R:3:forces:R:3 energy=-576.87619467 stress="-0.004804479125501418 0.0014501616612280055 -0.00030949567205168895 0.0014501616612280055 -0.010924870568427161 0.007932215197132404 -0.00030949567205168895 0.007932215197132404 -0.01726423225810686" free_energy=-576.87619467 pbc="T T T" config_type=melt 
Cl       9.27397995       3.63722001       4.90803006       0.90906183      -2.42726871       1.54935517
Cl       8.78193005       0.22556994       6.74336005       0.15059111      -1.02256816      -0.08881390
Cl       0.43911494       3.29172002       3.93572994      -0.84561845       1.01488014      -1.04539509
Cl       4.81272996       7.13138002       8.80969999       1.41418569      -1.15944533       2.12276776
Cl       0.26951501       7.49750997       6.09055002       0.29918546      -0.22803291       0.15865094
Cl       7.67924006       8.06615998       5.51753000       0.31266067       0.58220261       0.16829395
Cl       2.54318997       2.05949999       6.77905001       1.32663549       0.96397834       1.77039973
Cl       8.55501006       9.94209996      10.62490001       0.44654631       0.85281686      -0.37122103
Cl       7.11043997       0.17244997      12.31570006      -0.50428374      -0.75352417       0.35979536
Cl       3.57084006       4.39685997      12.97560003      -0.10797475      -0.06061248      -0.07619713
Cl       9.61019995      11.66949997       2.93327994       0.16826862       0.00510587      -0.26454160
Cl      10.64010002       8.94651995       8.20427996      -0.86258912       0.93924233      -3.28076858
Cl       0.43462596      11.93500005       7.28657003       0.14734077       0.40832639       0.01184159
Cl       4.26865999       7.15393004       4.35269997      -1.63051161       0.66436091       2.97930456
Cl       0.95899196       8.29446005       0.77775393       1.12196179       1.32703946      -0.35742879
Cl      12.32470000       5.14070001       0.31741400       0.38044358      -0.05093793      -0.90964509
Cl      13.11140001       8.32390998       9.93119995      -0.86575756       1.08468257       0.61795974
Cl       4.95492998      12.68670002       3.27959000       0.34697943      -0.32975448       0.24400222
Cl       1.19923995       0.28696805       0.11618099       0.41354446      -0.64483428       1.29661471
Cl      12.98062793       4.99146006       8.96560003       0.18024172       0.01201361       0.77489207
Cl       2.50382004       1.05967001      10.44760002       0.08214438       0.19200930       0.35788719
Cl      11.43149998       6.45694996       3.51621003       0.25731505       0.32760976      -0.07498155
Cl      11.36430003       1.22729999      11.36949997      -0.35806403       0.09322900       0.28737796
Cl       5.35677993       0.84395601       9.18965000      -0.15820216      -0.68183006       0.68443830
Cl       7.66889999       2.70001999       1.34042000       0.10388911       2.09611801      -2.44390368
Cl       7.74226005       3.90389001       8.65070997       0.04555554      -0.58447488       1.36840408
Cl       9.63561006       6.81138993      11.74530006      -0.49926338       1.14966790      -0.14650960
Cl       7.33134001       8.67780999       1.44087994      -0.21262132      -1.30847678       0.48757609
Cl       5.42225002       3.46254004       4.98415995       0.05118723       0.42999334      -0.75895526
Cl       3.84181006       9.83026000      12.49079995       0.48225086      -0.63581397       0.00400399
K        7.89082994       5.56074995       6.66002996      -0.29249993       0.23237593      -0.45112902
K        3.83544999       3.80704003       9.36648004       0.15583258      -0.42423391      -0.04775046
K        8.87614003       5.58112000       3.50038999      -1.29074566       2.15470827      -2.03144381
K        4.30787997       1.57395998       1.47295994       0.13957730       0.75945283      -0.46804696
K       10.49079999       4.34190001      11.30219996       0.68320885      -0.70998796      -0.51913175
K       11.57450003       7.98299003       0.55248905      -1.21648443      -0.31657013      -0.06047267
K        1.01420999       1.06896998       5.08649997      -0.94546952      -2.80774661      -0.38608806
K        1.93906995       6.91968003      10.59009993       0.95446110      -0.65322212       0.82656127
K       12.17760006       4.41020994       6.40916994      -0.32850579       0.05540613      -0.83347006
K        5.21224999       6.77128999       2.19890001       1.21395274      -0.85117270      -3.38104220
K        3.03554995      11.16209998       1.72731994      -0.52164440      -0.44668717      -0.20558297
K       11.85459994      12.26410006       0.41832603      -0.16505280       0.07573709      -0.15539607
K        3.40295001       8.12082005       7.06279997      -2.00530558       1.15206185      -2.16831052
K       10.57510003      10.05059996       5.50077004       0.55671364      -0.11555709      -0.28836408
K        6.40953998       1.84508006       7.01822997       0.46465770       0.22164995      -0.82636763
K       11.59500003       3.13851001       1.92370001      -0.65945088      -0.50797234       0.58044929
K        4.41603997      12.30580004      11.42350003       0.21745534       0.65238857      -0.29872280
K        7.73671006       2.53681004      11.24010002      -0.15889396       0.31706548      -0.04641627
K        6.47737995       8.27045001      11.26470006      -0.52546789      -0.75964725       0.31802517
K        0.82907297       2.57107002      11.82329997      -0.67410735       1.23912623       0.26319805
K        0.87411795       6.21325996       2.41002999       0.19194488      -0.67616218       0.70220790
K        7.46683004      10.49479997       7.42804997       0.21036157       0.09643925       0.60662833
K        7.74897004       1.33041000       3.33955999       0.10142021      -1.64853355       2.74461604
K        2.69621007       4.52603003       4.78833003       0.94413902       0.37555409       0.68164732
K        7.75691004      10.90459998       0.15211301       0.40071428       1.02589562      -0.39005555
K       10.52869997      12.69109994       9.08889004       0.26215744      -0.10631175      -0.08620544
K        7.13457997      10.21490003       3.89791996      -0.40648944       0.64544606      -0.64951328
Li       2.49963002       0.13161195       8.63743994      -0.31549224      -0.09236543      -1.54931198
Li      10.48239996       8.51143000      10.04310000      -0.24986252      -0.77635577       3.00470965
Li      12.32509994       7.52564995       8.07268006       0.66377278      -0.36648365      -0.31042553
60
Lattice="13.23443393 0.0 0.0 0.0 13.23443393 0.0 0.0 0.0 13.23443393" Properties=species:S:1:pos:R:3:forces:R:3 energy=-577.27080675 stress="-0.007139051182939344 0.001730132479786089 0.0019222383412773863 0.001730132479786089 -0.007291443807341818 0.002224194195406899 0.0019222383412773863 0.002224194195406899 -0.005500295407880664" free_energy=-577.27080675 pbc="T T T" config_type=melt 
Cl       2.65462006      11.18839997       7.75982002      -0.26047657       0.62300770      -0.44485132
Cl      11.68619997       1.01520999       5.95916002      -0.64978421      -0.01913536      -1.08400516
Cl      10.05710005       3.73183999       7.54585006      -0.53997836       1.22932183       0.37140340
Cl       7.39207997       0.31347093      10.30579994      -0.13204597      -0.28672564       0.09604103
Cl       7.45918001       7.30213995       5.30055000       0.77478107       0.22677632      -0.19803465
Cl       9.00054000       8.92569994       9.14895994       0.20834569      -1.07583716       0.02536098
Cl       1.88560999      11.43290005       1.65924995       0.20863236      -0.21038351       0.28491270
Cl       5.04044996      10.30850003      12.18099999       0.66367086       0.40658614       0.76862709
Cl       0.46643505       2.91105998       9.80503000      -0.00518622      -0.34827262      -0.06265107
Cl       0.77649494       9.87395997      10.85479999      -1.86365734       0.13803693       0.37052093
Cl      11.18520002      11.57120002       2.29557000       0.76089051      -4.04805791      -0.63720061
Cl      12.55779994       1.02437999       0.07966613      -0.21233675       0.54409080       0.64689306
Cl       6.33711004      11.57539997       5.27175994      -0.66135072      -2.54721015       1.80816376
Cl      11.37449994       3.23286993       3.06002995       1.40273655       1.32592816      -0.71244228
Cl       8.10316002      10.54600002       1.87754995      -0.46054972       0.17928967       0.54742477
Cl       3.52535000       6.64992997       4.02684002      -0.31818524       0.23252600       0.43576763
Cl       3.88563999       1.80026006      11.88299997       0.63529622      -0.73269159      -0.40815780
Cl       1.00211994       5.65232999       1.74344001      -0.32789827       0.18838744      -0.54178505
Cl       8.13047999       2.93626999       1.60616994      -0.40754116      -0.24457770      -0.18662551
Cl       5.67944999       6.85423006       1.27888001      -0.26209366      -0.31471826      -0.26745565
Cl       3.52169994       3.66987002       6.51373004       0.13436053       0.30003153      -0.00666390
Cl       5.23938997       7.80139004       9.52831996      -0.08191240      -0.44764198      -0.91171801
Cl      12.58839993       8.44491995       6.22420999      -0.67464590       0.34235315       0.84027487
Cl       9.36293996       3.77075002      10.54480005      -1.04589372       0.12329397       0.88245412
Cl       7.16137996       2.15766005       6.06791001      -0.99591560       1.03495188      -0.67795564
Cl       2.13618004       5.92399004      10.59180003       0.67294857       0.94451107       0.84767762
Cl      10.68119995      12.41389995       9.44836995      -0.01993919       0.38195275       0.10754067
Cl       4.71575001       1.63954996       3.25798995      -1.08486948       0.19217024      -0.49120062
Cl      10.27569994       7.95191002      12.36149993       0.11637034       0.01040125       0.12712838
Cl       0.00126601       4.79564999       6.33038006       0.23355581       0.11029741       0.10664606
K        6.28055004       5.22327004       7.04185000      -0.17992749      -0.09981119       0.09882623
K        4.18067999       1.65226998       8.39520004       0.12504308      -0.40583829       0.18375740
K        5.19974001      13.18029993       0.54577800       0.02953673      -0.55881380       0.19413219
K        9.78031999       4.24316002       4.85413997      -1.12450180       0.61100856      -0.08846648
K        3.22338998       9.82212995      10.21620004       1.45744709      -0.18213678      -0.85937048
K        2.06765995       3.63504996      12.51300006      -1.11648630       0.70731109       0.13055563
K        2.63901997       7.57483003       0.33574105       0.73774216       0.32709244      -0.18048349
K        6.78447004       2.54655998      11.78370003       0.33697723       0.81588681       0.59310314
K       10.63360006       1.54392006      11.44889995       0.00094111      -0.39951230      -0.32365086
K        2.01186000       3.85800001       3.73014003      -0.08139904       0.12780007       0.71436778
K       11.43519993       5.73411005       0.77057200      -0.42387770      -0.59654833      -0.00022649
K       11.53539995       9.86615999       8.56119001       0.88860517      -0.09525980       0.19303779
K       10.95050004       0.67266499       2.66119996      -0.60551260       2.46005594       0.37199839
K        6.05288006       9.09765997       3.17276006      -0.47471244      -0.11277190       0.30027551
K       12.60630004       9.81714997       0.02953171      -0.38093226       0.35583074       0.57863224
K        2.28855999       0.04890891       4.29269002       0.16582117      -0.46527539      -0.11289155
K        7.03819002       0.22308597       3.90847005       1.41191185       1.90506941      -1.67839386
K        8.85469005       1.36604001       7.87537000       0.73331395      -1.31155937       1.05419627
K        6.70825994       7.18160999      11.85170001       0.43995512       0.39370061       0.19669195
K        1.50471001      13.02490002      12.51379994       0.79219607      -0.64453199      -0.64903430
K        7.37944003      10.97300003       8.94039995      -1.09179558       0.58961811      -0.37046698
K       13.22750001       0.26170299       7.92523999       0.82701159      -0.53078306       1.33480929
K        5.68428003       4.58669998       3.33220005       0.30659476      -0.05118460      -0.15381143
K        2.78871995       7.42567995       7.25397997       0.03104056       0.07437684      -0.17632223
K        9.88441993       6.09574996       9.25033001       0.38586116       0.73377809      -0.14435930
K        9.00582993      10.99669999      12.58430004       0.18018048      -0.13383483      -0.54031803
K        0.31216602       7.90877000       3.85100005       0.76253097      -0.35404062      -0.82957876
Li       1.06780005       5.02752998       9.12631000      -0.84440624      -1.16199825      -1.07347895
Li      11.76880004       3.09454998       6.67294002       1.42627893      -0.00212907      -0.31631987
Li       9.29220998       9.22635001       5.03186002      -0.52276577      -0.25416150      -0.08330057
60
Lattice="13.23443393 0.0 0.0 0.0 13.23443393 0.0 0.0 0.0 13.23443393" Properties=species:S:1:pos:R:3:forces:R:3 energy=-578.88460878 stress="-0.006864787562876913 -0.0008978435968449754 -0.0031108900887040084 -0.0008978435968449754 -0.01041809350686039 -0.002559851558657821 -0.0031108900887040084 -0.002559851558657821 -0.006470547301347815" free_energy=-578.88460878 pbc="T T T" config_type=melt 
Cl      13.21399996       9.71569003       3.57234005      -1.50772641       0.01461080       0.58935410
Cl      10.18259993      11.67399994       5.32602006      -0.22591688       0.16617592       0.18263678
Cl       5.71322996       1.99712002      10.22519999       0.16377465       0.07298163      -0.01746376
Cl       5.61714003      10.12530000       4.58084004      -0.15693704       0.11417259       0.39145075
Cl       2.32836996      12.43510006      11.02879998      -0.06137942      -0.31195880      -0.34843160
Cl       1.51234006      12.41400001       6.78472003      -0.01612036       0.96875560      -0.04101578
Cl       4.03660994       3.57309004       5.51831996       0.28228679      -0.41209684       0.70270976
Cl      11.82299995       9.78326995       9.38143005      -0.05329015       1.03674027       0.68601043
Cl       0.45439000       3.22961003      10.25749995      -0.50119554      -1.65191712      -2.36366873
Cl       2.77144001       7.36634005       5.08246995       0.31940880      -0.21136933      -0.30090506
Cl       1.63433004       2.50277002       1.52690005       0.22198581      -0.17048925       0.31000363
Cl      11.60779998       3.75546001       1.91972995       1.73507517       1.15362024       0.70614196
Cl       4.19907996       5.45777997      12.71450000      -0.69425599       0.92455508      -0.19830917
Cl       9.31390003       4.29069996      12.15580004       1.21844000      -1.23441725      -0.95725982
Cl       9.81382998       8.00310002       0.09294212      -0.22595257       1.04912292       0.68589746
Cl       6.98725994       5.06360996       1.66832996       0.09174681       0.02181135      -0.39467721
Cl       3.57902000       8.22991995       8.92369002       0.01770285      -0.28719382      -1.19140802
Cl       8.51050001       2.50073999       5.23137997       0.20732184       0.14488747      -0.56722642
Cl      10.98260003       1.80287003       8.31452001       0.20669054       0.66712612      -0.61729998
Cl       4.50540999      10.24800001       0.66385694       0.01004309       0.58270734      -0.24990804
Cl       7.65680994       6.66607003       7.32805998      -0.43928236       0.61948990      -0.16321550
Cl       7.25697996      11.73410002       8.61382997       0.54596076      -0.64228392       0.66243480
Cl       9.92171999      12.60420000      13.22228340      -0.24946277       0.45849871      -0.18577419
Cl       0.86227803       7.73245002       0.17681296       1.46450610       1.11880393       0.07645169
Cl      12.50280001       6.29600005      10.47370004       0.15908253       0.79221741       0.12982147
Cl      11.71169995       7.65683006       7.24833006      -2.25841300      -1.11128544      -3.71558674
Cl       7.10756995       7.63562995      11.67390002      -0.14706627       0.57016415       0.58084560
Cl       0.26271595       4.36352005       5.83294997       0.35580953       0.88390239       0.67109248
Cl       6.69032993       1.51557998       1.86294999       0.40905421       2.14035184      -1.79909800
Cl       8.14270001       7.42012003       3.60674997      -1.05335761      -0.78636602       0.88949982
K       12.85290002       2.30299002       4.39789001      -0.40600499      -1.29709891      -1.08453908
K        3.10277995       4.66986001       3.20365002      -0.37364591       0.29355612      -0.64861853
K        2.18243002       1.52223994       8.16953004       0.22044365       0.52801317       0.67170385
K        8.50725003       0.58350606       7.21251001       0.02806155       0.23201614      -0.27295258
K        9.62810005       9.44948998       3.13701994       1.29171162       1.51447150      -0.50846093
K        9.27272996       9.61622003       7.19168999      -0.04266164      -0.31873321       0.12411044
K        2.39439006       9.49575002       2.66253995       1.05014861      -0.41325908      -0.56457212
K        5.56176001       3.20413004      13.22830003      -0.03783776      -0.88353963      -0.71104033
K        6.41353995      12.85079998       3.24419001      -0.35845436      -2.77705216       2.16950947
K        9.60041004       1.74274004      10.60450006      -0.77604403       0.05360853       1.09208134
K       11.85739995      10.72820006      12.45860005       0.26399375      -0.98161588      -0.09789995
K        0.59148404       0.56397296      12.79830004      -0.00426966       0.39477455       0.09522047
K        4.78829006      11.65299994       7.48073003      -0.60591093      -0.06183245      -0.11585495
K        1.32379000       4.18301997      12.35710001       1.01072475       1.63170996       2.01070336
K        5.78907994       7.87906995       1.37028005       0.44453635      -0.74422165      -0.01393956
K       11.88319995      12.55739999       7.83115005       0.49744915      -1.16981859      -0.32574485
K        9.40727995       2.55683004       1.54239003      -1.68691872      -0.84401414      -0.14421389
K        5.61045994       6.16136999      10.01969993      -0.42156402      -0.68211740      -0.66703310
K        9.71940004       7.74572006      10.50139998       0.33522560      -0.30588046      -0.50890912
K       11.91759995       6.34270000       0.31419499      -0.63201531      -1.35401238      -0.14603656
K        6.77023997      11.18980004      12.10700005       0.11901151       0.12044837      -0.17265892
K        2.55035999       5.34936005       7.39459994       0.21420091       0.33281327      -0.01393477
K       11.80010001       4.81857005       8.23901995      -0.40684274      -0.70472656      -0.15826296
K       11.88219995       6.20235994       4.18464000      -0.06656622       0.30495447       0.04563208
K        6.87252997       4.78012005       4.46274998       0.05741044      -0.23427723       0.72214673
K        1.95278996       9.85011006       6.41153004      -0.21726726      -1.43113471      -0.31474333
K        2.97702001       9.38149000      11.27409995      -0.45866941       0.29352632       1.21449501
Li       6.22090006       8.18166006       5.60283003       0.39760728      -0.41225829      -0.01441125
Li       8.03941994       5.53787000      12.95460003      -1.14346366       1.78357533       0.83694212
Li      12.91690002       7.90705998       8.60620998       1.88907837       0.45080715       3.34817920
60
Lattice="13.23443393 0.0 0.0 0.0 13.23443393 0.0 0.0 0.0 13.23443393" Properties=species:S:1:pos:R:3:forces:R:3 energy=-578.85144861 stress="-0.009107748184912225 0.0038243233301834983 0.002102506119654895 0.0038243233301834983 -0.007336162135564724 0.003859355422944891 0.002102506119654895 0.003859355422944891 -0.009726922530063173" free_energy=-578.85144861 pbc="T T T" config_type=melt 
Cl      12.52519995       3.07874000       7.19782005       0.91341488       0.12390788      -0.77200832
Cl       6.34910996       8.93036997       7.92247995       0.94612819      -1.00888513      -1.93069123
Cl       1.58378006       0.01389893      11.18909994      -0.53546597       1.01568473       0.19607916
Cl       4.79573006       3.57896004       1.73466994       0.32612822       0.15639266       0.12921494
Cl       8.94587993       4.75229002      11.11709999       0.26056047       0.01359218       0.07452012
Cl      11.86249997      11.89279994       5.08790997      -0.36376138       0.37794312      -0.00531495
Cl      11.17269996       7.01829006       8.63143005      -1.50232482       0.16666424       0.37918726
Cl       2.09222994      12.47389998       2.12656006       0.40085311      -0.23547944      -0.08799898
Cl       4.27827997      11.62180002       8.78334004      -0.79236636       0.22411560      -1.19894124
Cl       2.64622996       1.59579997       7.22378006       1.09579099      -1.51383867       0.90253266
Cl       7.19115003       1.35151998       7.17541998      -0.60499295      -0.01122573       0.49199060
Cl       4.99828003       6.65076003      10.25710000       0.04957274       0.76359049      -0.71245186
Cl       8.01953997       9.82717995       3.43019005      -0.47607561      -1.22340017       1.23403131
Cl       8.23194006       6.08582996       6.80918997      -1.19544505      -0.87352112       0.77718807
Cl       1.57590994       8.05623005      10.15789998      -0.31668827      -0.86004976       1.70859968
Cl      10.73199993       0.64279804       9.45111001      -1.95603971       0.21735173       0.32368116
Cl       3.49453005       7.80455995       0.76386095       0.16334118       0.25573390       0.32576523
Cl       6.16572002      11.01420002      11.03529994       1.14513918       0.77290223       2.50872875
Cl       0.55458101      10.76860002       8.69795002      -0.80331971      -0.08190569       0.42919785
Cl      12.49320002       7.03838006       1.57718005      -1.71423073       2.04894806      -0.00425727
Cl       9.85547993      10.43570001      12.95699996      -0.18593098       0.00680017       0.56769433
Cl       0.00786602       8.93489999       5.50104995       0.32213360      -0.89458147      -0.11863134
Cl       3.01816996       5.05273006       6.62255004       0.25883138       0.35794613       0.28796585
Cl       1.95663999       3.47728995       3.78624000      -2.61843011      -0.11524587      -0.40188018
Cl      11.72120002       2.35364005       0.64571796       0.06652174       0.27794954      -0.67020672
Cl       6.18087000       2.31184002      11.58449996       0.26311059       0.06464123      -0.10823208
Cl       2.13820001       4.96465001      12.49889996      -0.26369636      -0.46787649      -0.52684346
Cl       9.51368996       4.32111997       3.26096995       0.33206523       0.31392109       0.96128695
Cl       3.71008006      10.00220004       4.48369996      -0.15885728       0.26324581       0.93254735
Cl       7.00254002       0.99170100       3.50138998       0.02315673      -0.66894450      -0.75871562
K        7.93874004      11.79319997       1.76729997       0.22538295       1.49783512      -1.55461494
K        4.10838994       1.13202001      10.16319997      -0.33107810      -0.55304911      -0.69033277
K        5.87821001       8.27896002       4.89376003       0.45297570      -0.79176042       0.70132746
K       11.57680004       1.89401994       3.36815999       0.28011393      -0.20925251       0.76470441
K        7.61110998       3.03343999       5.19742994       0.56259795       1.45184114      -0.67436680
K       11.51500000      12.24630001      11.53280004       0.69310289      -0.14237082       0.61880269
K        5.80709994      12.25889998       5.15979002      -0.15662369      -0.06414841       0.66522886
K        4.84680995      10.06640002       2.00813993      -0.02590034       0.35353299      -1.13918524
K        1.54332994       8.64897997       3.07345999      -0.19395869       0.01405320      -0.51058680
K       10.91589993       9.77582995       3.01877994       0.66524416       0.10999620      -0.40653912
K        5.09504994       4.92543995      12.23920000       0.72740811      -1.29539462       1.56648033
K        8.88586998       3.42416997       0.79157002      -0.64856790      -0.33361587      -1.00935068
K        2.44951003      10.68210003      11.15629999       0.41529976      -0.65280900       0.04567635
K        2.84807996       1.82526004       0.26837897      -0.18818521      -0.16093930       0.41038728
K        1.70347003      11.66050002       6.40966994       0.31120507       0.40091127      -0.98389479
K        5.88540994       4.31540004       8.57086002      -0.03115006       0.12436398      -0.03667804
K       12.01130000       5.05050999      12.15259995       0.03863847       0.15927463       0.00598980
K        8.53735003       7.41307997       9.80752999      -0.50853179       0.05215154       0.05896290
K        0.33018205       6.40846005       8.02258005       1.57443327      -1.06776436      -0.60262481
K       10.23479998       3.38073999       8.56360000      -0.96761397       0.47445594       0.43480258
K       13.10280002       0.41735105       8.56426000       1.94261123       0.13686660      -0.71059438
K        8.03050999      12.78230001       9.01101002      -0.20975865      -0.59394894       0.87220184
K        9.91196000       6.82517002       4.97887001       1.03988492       0.02372884      -0.96483722
K        0.83012802       5.13395997       1.81479994       1.51774571      -1.76975787       0.24064188
K        4.15620000       2.84341998       4.69726005       2.17844976      -0.48228656       0.40187103
K       11.26790001       9.59352006       7.31539000      -0.04372383       0.76939217       0.32473811
K        2.50516003       8.49096996       7.79638994       1.16583299       0.46087658      -1.31461995
Li       5.74471004      10.05350002       9.39308006      -1.21584421       0.25603377      -0.01902797
Li       1.55632007       2.72990004       6.02757000      -1.37554377       1.69331394      -0.77459339
Li       3.44532005       6.79799999      12.01340004      -0.97356959       0.67209312      -0.65400662
60
Lattice="13.23443393 0.0 0.0 0.0 13.23443393 0.0 0.0 0.0 13.23443393" Properties=species:S:1:pos:R:3:forces:R:3 energy=-574.59118033 stress="-0.008740045565643046 0.001052128871508746 -0.0030335534902345275 0.001052128871508746 -0.0005819394428152675 0.001343651812198507 -0.0030335534902345275 0.001343651812198507 -0.013012687833124073" free_energy=-574.59118033 pbc="T T T" config_type=melt 
Cl       2.71108994       6.20354006       5.46662004       0.72850541      -0.05978357       1.68400668
Cl       9.52360003       8.37113997       6.39833002       0.56756873       0.74595045      -0.79601142
Cl       6.51992998       1.09783004       2.67730997       0.73257886      -0.29784934      -0.77332498
Cl      12.67280002      12.12179998       2.28302005      -0.02668876      -1.10837275       0.41163529
Cl       2.19686998       7.95426006       1.63030995      -0.43225457      -0.70073405       0.01294049
Cl      13.21039993       9.32848993      11.53139997      -1.03073785       0.87093047       1.10822336
Cl       4.57847002       5.76789995      12.50189994       0.31032215       1.12526477      -4.10755612
Cl      11.95240002       1.29709006      11.57389998      -0.19003018      -0.70091607      -1.38530517
Cl       3.92978001       2.93887003       4.25918996       0.34689958       0.58794310       0.32414151
Cl       8.60925006       2.67421999      13.11290001       0.82275531      -0.39786457      -0.30103287
Cl       8.16953997       5.23628001       4.03763998      -0.03072713       0.01226594       0.90947544
Cl       8.25994994      10.33500000       0.75724797       0.62989769      -0.37832935       0.93969530
Cl       3.70395993      12.46940001       3.77018994      -0.23328424      -1.00789991       0.06609913
Cl       1.69867003       3.87968000       9.53136004       1.21900977      -1.62799831       2.46800347
Cl       0.61371405       7.70249004       8.56574001      -0.50578416       0.31282129      -0.81707120
Cl       8.11047998       0.42052202      10.33280004      -0.39087781      -0.05637875      -0.48207684
Cl       6.98571006       4.94070005       7.98802997      -0.41418631       0.46856813       0.29935498
Cl       1.09917003       3.67800999       0.96274101       0.22816348      -0.25168589       0.19483727
Cl       4.28837004      12.97066994      12.29149997      -0.15704440      -0.06158294       0.24479775
Cl      10.83410002      11.69310001       9.19971002      -0.58038027      -0.11627369      -0.28367506
Cl       6.12591005      12.61809999       6.21837004       0.16545830       0.66888136      -0.72202904
Cl       7.04709004       5.08157994       1.33645999      -0.64357965       0.49863044      -0.99411824
Cl       8.09502005       8.85974005       9.80795998       0.09912038      -0.27301408       0.48109028
Cl      11.13909999       1.54037006       4.96830999      -0.41564993       0.18666507       0.07041697
Cl       9.67838005       7.30152005      12.78560001       0.89751562       0.17996612      -0.41479376
Cl      10.32879993       4.84346005       8.19804998       0.21168817       0.73174930      -0.66340143
Cl       2.31020993      11.30549997       7.48207002      -0.06234030       0.96535315      -0.45407094
Cl       5.14607994       7.78721993       4.28013994       1.21770368      -0.10260860      -0.89907687
Cl       4.54514995       9.56168000       9.29206004       0.01835146      -0.16147705       0.36277314
Cl      11.98699999       5.55942995       2.71391006      -3.21301342       0.37599701      -2.54497541
K        0.04256604      13.04725999       5.14259002       0.86883262      -0.41875623       0.26918360
K        6.55570993       7.77161998      12.78469994       0.11684574       0.06998715      -0.34685066
K        3.56959006       9.60842005       5.59291995      -0.17425290       0.08303140       0.21169155
K        9.73273003       2.68310996       2.60377006      -0.99884115       0.32044871      -0.38014626
K        3.88517004       6.10058000       8.91486994       0.72042013      -0.17708151      -0.29902737
K        0.91174398       5.88026995       3.64739993       2.90172582       0.24117138       0.08337239
K        6.93592000      11.08780001       8.27748994       0.36279293      -0.93326900       0.76695996
K       12.54990004       1.13623002       0.79066995       0.53160580       1.24312749       1.00727876
K       11.17469995       8.37047004       9.50267997      -0.74205751       0.15531675      -0.23774042
K        8.58470006       7.54621997       2.06702999      -0.46567987      -1.00336049       1.05464524
K        6.98973994      11.09229998       3.25900000      -0.83856346       0.53998818       0.56579130
K       11.35579995       3.76327997      10.42490005       0.61415185      -0.46307162       0.61450568
K        7.05373995      11.57200004      11.89450004      -0.78866607       0.20879482      -0.72654050
K        2.48792006      10.56209997       0.99872504       0.08490065       0.92582822      -0.04788058
K        0.28095896      11.21089997       9.25504002       0.06828183      -0.01471908       0.42632401
K       12.76360002       7.03760002       0.11248197       0.13491530      -0.42725692       0.20513427
K       10.54609994      11.76520001      12.36489999       0.11938494       0.22375838      -0.72231157
K        5.72981998       2.53908994      12.90930002       0.34221898      -0.04525779       0.11269923
K        8.49248001       5.09429002      11.42509994      -0.65455634      -0.27628831      -0.33283777
K        8.98182995       0.40539295       7.32909995       0.17464176       0.33824685       0.27921870
K       10.73720001       4.63544002       4.78970006      -0.54820626      -0.27381566       2.11095702
K       10.89230003       9.79698995       3.06348996       0.16893056      -0.04054690       0.19782697
K        2.90797993       1.34411995       2.23296994      -0.14139894       0.29712798      -0.77311287
K        0.83919201       5.14828003       7.68081006      -1.41099108       0.91418472      -2.96868486
K        3.94990998       0.35070204       9.36411002      -0.06200783      -0.12259679      -0.29579291
K        3.97158004       4.95348994       1.41230997      -1.04580124      -0.76859563       3.41031348
K        2.18161001       8.28390003      10.56550003       1.87503446      -0.16662063       0.69264320
Li       8.63978998       6.82972995       7.56423997      -0.69738978      -0.99036831       0.37797945
Li       5.45533001       1.04716003       4.50144006      -0.64515235      -0.10288286       0.54142901
Li       5.36601002       5.32711005       4.50631006       0.25992180       0.23525800       0.26400026
60
Lattice="13.23443393 0.0 0.0 0.0 13.23443393 0.0 0.0 0.0 13.23443393" Properties=species:S:1:pos:R:3:forces:R:3 energy=-580.51105479 stress="-0.009100686803630584 0.0013129023933389306 -0.00017124836702647758 0.0013129023933389306 -0.009079262349201296 -5.98067958026716e-05 -0.00017124836702647758 -5.98067958026716e-05 -0.006018168842824249" free_energy=-580.51105479 pbc="T T T" config_type=melt 
Cl       1.04616996      12.34170003       7.45193005      -0.21593309      -0.26440255       0.23469886
Cl      11.80429996       8.02303002       2.73490001      -0.18654638       0.00572248      -1.04066857
Cl       8.50584004       4.89092998       6.57941995       0.51711514       0.42177452      -0.94200435
Cl       5.00913001       7.41034005      10.95899999      -0.26879186      -0.93765095       0.29058143
Cl       0.78213903       7.57274005       9.31415995      -0.10021319       0.11312582       0.33248913
Cl      10.95080006       2.67093005      11.74229994       0.10581524      -0.39949709       0.11496048
Cl       2.60327006       1.26576005       5.54775004      -0.02432814      -0.37457678      -1.09850415
Cl       4.69691000       3.55539997       7.51124996       0.69340922       0.46451312       0.15785737
Cl       4.42374003       3.81023998       1.30751006       0.60600797      -0.45841453      -0.12045389
Cl       0.95788398       0.98673994      11.28319994       0.83105772      -1.10927880      -0.29303857
Cl      11.37359999       7.94208994       6.38455998       0.29293238      -0.66302983       1.08965539
Cl       6.34296998       1.20387002      11.04069998      -0.71763031       0.60974267       0.43318179
Cl       2.81631996       5.50075006       4.11287999       0.34869244       1.21352073       1.09843189
Cl       8.12821995      10.49199996      10.82769998       0.68778393      -1.25920464      -0.06159998
Cl      11.52800005      12.87049997       4.96152999       0.23229881      -0.36238553      -0.22026238
Cl       6.59716005       0.62244600       6.94025997       0.80013113       0.27067336       0.72165151
Cl      12.30539996       2.82566996       4.30207006       0.29927999       0.74377517       0.52917364
Cl       7.84810005       5.62492002       2.62153001       0.36485891       0.35869719      -0.98801850
Cl      12.15209995      10.68399996      12.64570000       0.40374923       0.17554394      -0.06899903
Cl       8.40521003       1.30814995       2.02197998       0.34415499      -0.18229785       0.75075058
Cl       0.56398395       4.21336997       0.24297799      -0.04343863       0.86864581       0.90435916
Cl       7.98957999      10.65799999       1.21652994      -0.24710737       0.48943176       0.16458218
Cl       1.68745001      13.19240004       1.46822995      -0.05919713       0.64533500      -0.30729632
Cl       3.34831006      11.12769998      10.32970001       0.77598787      -0.27431671       0.00068427
Cl       8.25967996       9.51709001       5.31892998       0.31808838      -0.32649325       0.55559282
Cl       0.98581803       3.43886999       7.78742004      -0.63704582      -0.33031997       0.90608903
Cl       9.09701002       5.50261995      11.02920006      -2.96812096       0.02937817       0.39442080
Cl      10.70169996      12.36780005       8.72739002       0.36669301      -0.69421075      -0.24329362
Cl       4.22275001       9.54123002       1.26184001      -0.46922318      -0.45738630      -0.59558302
Cl       4.12031999      10.81249996       4.89506997       0.21142908       0.02238725       1.05835234
K        9.97041001      13.07450003      13.22800001      -0.06724427      -0.51581897      -0.20145156
K        2.24989996       3.21744004       2.99818001      -0.62635929      -1.73950009      -0.52920176
K        7.53674001       3.48982004       8.64114002      -0.68459410      -0.62102621       1.01167756
K       10.08230000       9.17184003       0.27997498      -0.32299516      -0.86927015       0.02490654
K       11.47660002       2.31341002       1.70431995       0.12389296       0.02131511      -0.65145330
K        6.12737999       4.62366005       4.41716000      -0.95620939      -0.36032251       0.85004580
K        0.73039398       6.47610997       2.49005001       0.65396258      -0.48553799      -0.45413484
K        9.47289997       1.66461003       5.31935004      -0.18302303       0.03305101       0.03206899
K        0.67158294      11.49059993      10.56759994      -0.64041897       0.14935000      -0.26432852
K       12.50660002       9.87434006       8.10469998       0.23233939       0.55758213       0.00804582
K        1.87358002      11.71859998       3.75656998      -0.62494559      -0.05578225       0.23128002
K       13.15160001       5.46293994       6.35665994       0.01083648       0.49199753      -0.36038830
K        9.84414001       6.80702998       4.35571001      -0.96940469      -0.44306205       0.14517223
K        5.84857997       0.00046241       4.44613997      -0.38019357      -0.17438267      -0.75768991
K        7.63619003       3.50319000       0.52538704      -0.18629385       0.13605169      -0.71527287
K       12.57779995       1.17200005       8.97402997      -0.02721776       0.47282625      -0.32619203
K        8.80919999       8.52172003       8.70100003       0.05016081      -0.00280933      -0.38271756
K        6.17332002       9.82824995       3.45032995       0.44690205      -0.53217217      -0.77308376
K        4.70229006       8.18775002       8.41741999      -0.59929914       0.28120212      -0.99180035
K       11.44250005       5.93036996      10.51560000       2.86789983       0.01425355      -0.43191573
K        2.11060000       8.47626994      12.23029997       0.19654344       0.15278829      -0.19667477
K        3.82934997       0.33462102       8.31250004       0.16117017      -0.12697455      -0.00167602
K       11.18650004       9.92220001       4.52264996      -0.57244120       1.62793553       0.09509834
K        8.39923005      12.99499999      10.06110002       0.04140881       0.78219568      -0.71626972
K        5.50006994       6.15539994       0.27769204       0.19480854       0.57991824       0.23424409
K        3.73465998       0.27157297      12.50999994       0.03545777       0.10177080       0.14411354
K        5.63029002       9.91727997      11.73130001      -0.09392170       0.89951061       1.15078662
Li       0.10917707       0.94767904       5.29371005       0.25156518       0.05200753       0.30989556
Li       2.81777006       2.85658004       6.94560999      -0.00542627       0.40530178      -0.29583094
Li       0.62864104       2.83601002      11.92160005      -0.58886944       0.82879965       0.05495654
60
Lattice="13.23443393 0.0 0.0 0.0 13.23443393 0.0 0.0 0.0 13.23443393" Properties=species:S:1:pos:R:3:forces:R:3 energy=-576.90714284 stress="-0.01425220403515702 -0.003847937880232986 0.0004935015089692164 -0.003847937880232986 -0.004971303804210399 0.002761856360000132 0.0004935015089692164 0.002761856360000132 -0.006150634269697116" free_energy=-576.90714284 pbc="T T T" config_type=melt 
Cl      10.18949997      12.20119997      11.16600003      -0.46801725       0.36265845      -0.39789775
Cl      10.91030005       2.86732005       7.69537998      -2.33904097       1.06702616       1.60535789
Cl       1.25889006       9.83862998       2.96549003      -1.08289683      -0.53327567       0.66796270
Cl      11.51410005       9.17812996      10.01000002      -1.03681469      -2.54338543       1.67549558
Cl       9.82390006      10.09520000       2.51497005      -0.25832914       0.31014191       0.14682663
Cl      12.26769996      12.51520002       6.86021004       0.62424380       0.07268276      -0.37580656
Cl       5.83844001       7.04429003       8.44919997      -0.89894841       1.00970169      -0.21703227
Cl       1.67787000       1.87360000      10.98950006      -0.16232206       0.02591553      -0.35037552
Cl       9.04205999       7.84400002      12.34859993      -0.38958250       0.14239258      -0.41170009
Cl       1.16784999       0.06711367       1.44720004      -0.06101915      -0.01396610       0.15058080
Cl       7.59494995       2.42052000       5.90599994      -0.82342010       1.00859411      -0.02018212
Cl       2.88331002       3.54701000       5.17049998       0.28847251       0.18831872       0.59564178
Cl       1.55252999      10.66890000      10.34599993      -0.04142180       0.14814791       0.26213834
Cl       7.95102993       2.05962996      12.93330000       2.40356894       1.09224106       0.04344213
Cl       5.27799998      11.62460003      13.15540001       0.73276344      -0.48910606      -0.33213835
Cl       4.34425998       7.87342004       0.51637506       1.23144085       0.32307923       0.17547254
Cl       4.45862004       3.09770997       2.01093002       1.06616727      -0.28437523       0.21286573
Cl       5.21767994      10.92600006       4.06748006       0.72398564       0.23380880       1.17874381
Cl       9.03367995      11.16730005       6.15510004      -0.37953794      -1.18545815      -0.01817630
Cl       0.87417803       7.19379003       8.38555002      -0.14775450       0.03473159      -0.25325805
Cl       6.35379006      11.85689995       9.25418004       0.27013467      -0.02968165       0.44305950
Cl       9.02246006       6.37906994       6.75917996       0.94564848      -0.14890631      -1.23607297
Cl       3.22415003      12.08759996       7.08929994       0.80983850       1.12441594      -0.79433686
Cl       5.56540001       3.62421995      10.79979994      -0.90892438      -0.34778519      -1.06115975
Cl      12.96159999       5.20043005       2.41632998       0.69045889       0.41225536       0.82086196
Cl      12.06859994       2.59972998       5.17988994       0.53196931       0.07378495      -1.30921698
Cl       9.92229000       1.67401997       2.90602005       1.84143100      -0.47268333      -0.13345925
Cl      13.15079998       6.87950002      12.90280006       0.62733764       0.05541608      -0.60090823
Cl       8.65484997       6.38680997       3.14370002      -0.09875732       0.00251208       0.25785674
Cl       9.41467005       3.98985004      10.45220004       0.23040400      -0.57412612       1.33236970
K        2.03787996       9.95240006       6.32619997      -1.00602073      -1.27061856      -0.37060218
K        7.95293000       5.57751004       9.07651994      -0.70821680      -0.47033700       0.22005580
K        8.33009999       1.52690998       9.76344000      -0.17242783      -0.63511504       0.13916109
K        5.67179003       1.16040006      13.01680002      -2.84713607      -0.21860296      -0.02909088
K        3.60317998      10.79609999       1.98823998      -0.75261917       0.11424016      -1.24581511
K        1.79564005       3.21400001       1.36823997      -0.77418889      -0.28134973      -0.14346374
K        9.62503006       0.69451398       6.33629003       1.16128927      -0.50030731      -0.20069607
K        2.10514000       7.14922996       1.62257998      -1.38385983      -0.47253954       0.64437952
K       12.77070003      12.82100001      11.82879994       1.22533640       0.32198795       0.27610553
K        6.97538998       9.07506998       2.68558004       0.25077169      -0.54399074      -0.28793324
K       12.31499995       5.40546994       5.65443003       0.54347876      -0.30319984      -0.08036817
K        9.01467001       8.43256997       8.63220003      -0.33319488       0.50872387       0.61751146
K        6.17007004      10.05350002       7.02672000      -0.30381989       0.31486369      -0.33112639
K        8.40021006      10.97550002      12.88990006      -0.28731215      -0.14696619       0.19013820
K       11.38880001       5.78734001      11.03620001       0.46519736       0.55206509      -0.13887920
K        3.77546995       4.47919006       8.60458003      -0.31883970       0.21322135      -0.11651261
K       11.81680001      12.20899995       3.20204998       0.46161236       0.59914325       0.23447919
K        7.64040004       0.88277896       3.32594996      -2.44212334      -0.77221180       0.10612383
K        3.26806003      12.82060006       9.65101997       0.41487067       0.40458270       0.98733359
K        5.71832998       4.87952997       4.53254005       0.02684022      -0.34735941      -0.26779754
K        5.48127996       8.94803000      11.48820000       0.01967169       0.29490993      -0.59533907
K       10.60379996       4.01785000       1.74957006      -0.59620611       0.46194848      -0.39659272
K       10.68620006       8.46875000       5.15986003      -0.44241884       0.24186657      -0.59226013
K       10.78460006      10.95009996       8.55487004      -0.87550565       2.69560730      -1.48522405
K       11.65540000       8.95026000       0.66392999      -0.06756849      -0.02363464      -0.16073259
K        0.07013191       2.02078001       8.09017002       1.38535182      -0.70460979      -0.11236189
K        3.36564995       0.60868894       4.32197001      -0.23226088       0.18715578       0.08770598
Li       7.06213005       4.23474993      11.97110001       1.56246486      -0.20327464       1.08087804
Li       0.21521704       9.00093002      10.25119996       1.95291192      -0.95132952      -0.08928981
Li       9.56335005       3.72720000       5.99631000       0.15284436      -0.12994513       0.00325837
60
Lattice="13.23443393 0.0 0.0 0.0 13.23443393 0.0 0.0 0.0 13.23443393" Properties=species:S:1:pos:R:3:forces:R:3 energy=-575.68849667 stress="-0.007439546055820216 0.0036360696345020594 0.001656749702585599 0.0036360696345020594 -0.014540494117538431 -0.003208001036386113 0.001656749702585599 -0.003208001036386113 -0.015003190221311212" free_energy=-575.68849667 pbc="T T T" config_type=melt 
Cl      10.94709998       2.80129994       1.87643005       0.06754407       0.64211193       0.30367387
Cl      11.62699997       5.72889000      12.30610006      -0.87869337      -0.78604147      -0.46652385
Cl       9.14866997      11.42900000       1.30716994      -0.02677705      -0.00692566       0.56320998
Cl       7.50864000       3.63045999      13.09170003      -1.06131784       1.19184190      -0.02756742
Cl       8.97238004      11.88460002       6.50162993       0.10342571       1.31827187       1.85140991
Cl      13.06350089       9.75946001      11.69690001       1.27735208       0.74464252       0.67951194
Cl       4.31433997       8.50727002       9.67883002      -0.34939786      -1.23263594       0.31923349
Cl      13.01170000       0.69551503       8.98157003       0.15759693       0.18181240       0.67899765
Cl       2.72672999       7.02272002       4.94320003       1.81594469      -2.61389759      -0.53659240
Cl       8.16006994       7.05505995       7.08467993      -0.80579123      -1.07913258       0.55833620
Cl       7.38408002       3.19510998       4.13252002       0.26991514       0.14664940       0.13970928
Cl       4.44688997       0.38106607       6.24710993       0.13955500       0.00593694      -0.14532770
Cl       9.07021996       9.75544005      10.32509998      -0.75733887       0.65541553       0.03565660
Cl       4.16315998       9.05842000       2.06369002      -0.44409344      -0.39182448      -0.70137677
Cl       4.31979004      11.94250000      10.22689995      -0.85740201       0.95029696       1.57583711
Cl      12.01679997      10.29779999       5.50027005       0.24829552      -0.15438471      -0.07597581
Cl       8.67507999       7.52514003       3.50845002       0.43022903      -0.15983569      -0.33395948
Cl       1.30407003      13.00249995      12.74140005      -1.48407993       4.16491679       6.52145821
Cl      12.80660002       3.44140001       5.83705000      -0.03204211      -0.15229097       0.39311156
Cl       3.25011996       2.79604005       3.26995997      -0.28878366       0.17353867       0.10105942
Cl       7.85331998       0.50705206      12.04609995       1.30781465      -1.47250251       0.45390278
Cl       6.51002004       9.77723002       5.56975003      -0.58462321       0.09965884      -0.23535042
Cl       2.57487003       4.76431998       7.76205995       3.00004495       0.52604318      -0.33558966
Cl       3.96755995       3.12521006      10.54400003      -0.14888024       0.30443631      -0.98988782
Cl       1.34314999      12.82469996       3.80395005       0.20431139      -0.14138613      -0.07868814
Cl      12.78749995       7.16273001       3.25138001      -1.23955952      -0.71113241      -1.31065994
Cl       7.93180996       2.35305999       8.45197999       1.84497133       0.98942320      -2.12750544
Cl       3.21819996       6.44775004      12.52039996       0.35782413      -0.01481569       0.47380698
Cl       5.15424002       0.48974301       1.53402004       0.06743002       0.32664778      -0.48368663
Cl      12.61740002       6.10054003       8.25744003      -1.38526526       1.85191932       1.19919638
K        2.64834999       8.14737997       7.26216997      -0.13832900       0.33557269       1.41901761
K        5.77704997       7.16697998       3.67212000       0.07706581       0.08394908       0.21371605
K        9.37503001      12.86680002       9.51857002       0.31577539      -0.17704159       0.01416858
K       13.20453006       1.46040999       1.45507995       0.97617732      -0.81449320       0.19262045
K       13.04490003      12.98149994       6.42318997      -0.10283504      -0.07055780      -0.72259659
K        2.74161000       2.01259001       7.96160994      -0.53234373      -0.97822237       0.46103591
K        6.48832006       1.73842998      10.32210000      -3.00706463      -0.17719466       1.15432350
K        1.22216001       8.85107996       4.25752004      -0.49954891       2.93828154      -0.44203912
K        1.84159994       5.44073005      10.37039999      -0.43218248      -0.16949942       0.02478935
K        3.70689996       2.93273997      13.21820547       0.41041161      -0.23696726       1.31675981
K        4.93903000       3.59686994       5.72011001       0.05498178      -0.15247526      -0.38769570
K        9.78171993       4.98565994       6.13185006       0.29118013      -0.27323445      -0.28156441
K        5.39238996      10.54450003       8.32886005       1.28536811       0.12827105      -1.80500414
K       11.35370004       8.20284998      10.43479994      -0.52471997      -1.07278158      -0.72481884
K        0.48736994       7.17325999      12.93953395       0.76223970       0.78856130       0.97179248
K        9.19113001       9.50747004       7.40271000       0.46632565      -1.27754137       0.74687431
K        8.53303997       1.58923000       1.37312003      -0.84668419      -0.84261293       0.59919286
K       11.68999997      10.00179997       2.11056003      -0.05185120       0.00500842      -0.14818250
K        0.75882406       4.52376006       3.46996998       0.28502919       0.07204953       0.18337510
K        9.29488996      10.26550003       4.46529999      -0.38111810      -0.93118279      -1.55573101
K        5.83059000       5.33386001       9.40366006       0.09186240       0.43685567       0.06969037
K       10.24239999       5.62893005       1.74968004      -0.38160305       0.21664076       0.15908304
K        6.39770006      10.96260002      12.54819994       0.92194808       0.57775699       0.05115544
K        5.11292000      11.42609994       2.91243994       0.47321096      -0.15223991       1.16598407
K        3.58521000       9.66195995      12.33710000      -0.55266575      -0.47007397       0.05489051
K        8.69388996       0.71841404       5.10059001      -0.43421975       1.95654903      -0.98025962
K        9.49277002       3.33149995      11.36549999       1.00433619      -0.04089654      -0.59263935
Li       1.67480994      12.12870002      11.37509999       1.50033346      -3.95106747      -6.87116870
Li       3.48802995       0.55760799       4.19759995      -0.43101833       0.53183046      -0.43377385
Li       0.67316604       4.84537997       7.60329002      -1.54827069      -1.64000165      -1.85241549
60
Lattice="13.23443393 0.0 0.0 0.0 13.23443393 0.0 0.0 0.0 13.23443393" Properties=species:S:1:pos:R:3:forces:R:3 energy=-574.05063538 stress="-0.00584448783513294 -0.0011928561590455085 -0.0002565862618783758 -0.0011928561590455085 -0.011438070860658012 0.0013515810940486295 -0.0002565862618783758 0.0013515810940486295 -0.0030686791931497895" free_energy=-574.05063538 pbc="T T T" config_type=melt 
Cl       8.70701997       4.50696001       6.17307995      -0.04424561      -0.24410942       0.61253053
Cl      11.31800002      12.99780000       9.46829995      -0.15931256      -0.53801088      -0.00279246
Cl       0.92145104       2.68924002       9.28109994       1.32597349       0.32162714      -1.17258669
Cl       0.63335104       5.12546003       0.77163698      -0.59967245       0.27439544       0.43360392
Cl       6.90221997       3.79389996       2.17595997      -0.30026219      -1.20812600      -0.28575447
Cl       6.74240995       8.43627998       5.30720004      -1.10220909       0.98520162       0.09727168
Cl       4.99375994       3.36298004       7.69753997       0.05577424      -0.28723299       0.87863599
Cl       1.26189004       5.99088997       7.59674996       3.94092567       0.24644652      -0.75742060
Cl      11.17729999       9.56890997       1.37433998       0.50623378       0.53096343      -0.43412876
Cl       2.13962007       7.75513000      10.80960003       0.99676965       1.21243200      -0.04945274
Cl       7.89861006      10.62709997      11.38890006      -1.11860131       2.86276663      -0.14457356
Cl       4.11748001       5.65991001       5.30633001      -0.30179334      -0.11761822      -0.36537659
Cl       0.26766603       3.27912997       4.25599994      -0.75288028      -0.32123489      -0.76222982
Cl       4.02568002       1.00259003       3.99335002       0.14555150       0.26579504       0.14455311
Cl       4.66470003       8.02820998       1.84137998       1.22234294       1.11765583      -0.62016656
Cl      10.89250000       8.76900000       8.02198000       0.03810877      -0.75535285       1.08316302
Cl       7.35048997       7.97576006       9.30796002      -0.24228387      -0.49686099      -0.36653408
Cl       2.98785001      11.79530001       7.96220006       0.43555594       0.22332711       0.13593641
Cl      12.54929999       9.80633995       5.41615000       0.65502105       0.70533691      -0.60963588
Cl       9.77566994       4.70561998      10.84029995      -0.17446003      -0.07734317      -0.21996054
Cl      11.38980000       1.06177005       0.43944898       0.12916843       0.90738453       0.91821371
Cl       7.37416994      12.85930006       2.64547997       1.22145806       0.64293570       0.44910508
Cl       3.52112993      10.42640004       4.48940996      -0.48083826       0.54665296       0.07055525
Cl       8.54468005      12.14729996       5.49087995      -0.07131291       1.73428034       0.66152815
Cl       1.98395004      10.89469996      12.11360006      -0.02422075       0.74853624       0.43878894
Cl       9.53115001       6.08637998       1.95735994       0.57255875      -1.40636053      -0.55903070
Cl       9.87224994       7.66836003       4.91581005      -0.22283747      -0.31956718       0.18953116
Cl       7.95833005       2.02244001       8.90114000       0.67313629      -3.31996820       0.44788907
Cl       3.57384004       4.01010005      12.84879999       0.57634848      -0.23630723      -0.60206306
Cl       6.00198995       0.22403700      13.12150001      -1.59132831      -1.03670192      -3.20562766
K        8.08205996      12.32430006       9.08149000       0.27698515      -0.22616752       0.25343822
K       12.06229995       6.74907997       3.55769006       0.21642127       0.14951537      -0.08827871
K        2.90161999       6.21496005       2.43270997      -0.43689603      -0.96362455       0.29773163
K        3.74181002       0.75481601      10.94609999      -0.27104058       0.07398831      -0.07088041
K        0.13254497      11.90979997       7.32033994      -0.01827987      -0.48803682       0.43177310
K        5.73741999      10.79069994       2.99420995       0.04953221      -1.19535400      -0.40969595
K        2.12312996      12.58180005       3.31475998      -1.16160103      -1.12857138      -0.37038213
K        4.45910998       6.04171006       8.64922997      -0.27946896       0.37838955      -0.16392896
K        7.02459005       3.81253999      12.36850002       0.04401596       0.05160549       0.25621597
K        5.37361996      12.26410006       6.19965006      -0.31059249      -0.35662271      -0.13135944
K        4.86082998       9.87845994      11.54809998      -0.40765261      -0.26125817       0.04233505
K        0.50327297       8.65281994       0.31148299       0.53894291      -0.19057428      -0.50310214
K        8.81050994       9.74741998       6.47767005       0.38891308      -0.62963549       0.52103441
K        6.80122006       6.15555994       3.83650994       0.20993221      -0.43063978       0.00155670
K        8.83740006       8.45651993      11.87430005       1.45939048      -3.09024296       0.08975300
K        2.71327004       8.48732996       6.26676002      -0.30087819      -0.45489682       0.42637690
K        5.96546000       2.36142005       5.28206997       1.40819549       1.04030300      -0.21932487
K        8.73078002       8.53287997       1.99719995      -0.97325971       1.04115820       0.91897917
K       11.13429999       3.50012001       2.19734999      -0.05153851       0.41044434      -0.31227615
K       12.25160000       2.08378994      10.85219996      -1.50668867       0.07244385       1.40188792
K        2.71233000       2.58975003       1.88669997      -0.26302849       0.44811739      -0.12790537
K        2.26459005       2.97493995       6.06104001       0.70841838       0.49258022       1.08696818
K       11.39460000      11.92419996      12.53140002      -0.05591923      -1.23558439      -0.69732424
K        1.06311003       5.43906000      10.94640001      -0.33459756      -1.58031310       0.20653768
K       10.19670003       1.10001002       7.26898994      -0.22177308       0.68638224      -0.39345698
K       10.64829995      13.09859994       3.70578999      -0.28484840      -0.45291303      -0.63088874
K       12.19739997       5.82620001       8.05245996      -4.03458061      -0.06767742       0.63774500
Li       9.15685997       7.11432004       7.46539000      -0.09749340       0.03373405      -0.24252393
Li       7.48730000       3.82570005       8.79164002      -0.46946431       2.98432133      -0.96842403
Li       6.59927001       1.15503006       1.39660004       0.87018599       1.92818606       2.35344726
60
Lattice="13.23443393 0.0 0.0 0.0 13.23443393 0.0 0.0 0.0 13.23443393" Properties=species:S:1:pos:R:3:forces:R:3 energy=-577.08751384 stress="-0.006454385874658745 0.0015212818788873444 0.0016849452519485922 0.0015212818788873444 -0.011276811748119599 -0.0013231484110294166 0.0016849452519485922 -0.0013231484110294166 -0.014815567623342019" free_energy=-577.08751384 pbc="T T T" config_type=melt 
Cl       4.93974995       4.95196004       2.04183996      -0.34043329       0.12992713       0.13209282
Cl       5.61191004      13.22600002      13.18050004       0.94216313       0.38090541       0.55396494
Cl       0.07784587       2.56450998       1.83593997       0.08648594      -0.75031821      -1.11342287
Cl       9.97979997       6.95051996       9.56125001      -0.53685931       0.55150902       1.07167216
Cl      12.63139993       6.13997004       5.03532996      -0.01064527       0.06923753       0.07307782
Cl      11.49849996      11.65779993       7.96367994       0.69004373      -0.33981144      -0.53339824
Cl       7.10112994       8.10960995       0.42137101      -0.25800352      -0.18046964      -0.83156898
Cl       2.31485998       8.99258994      11.48409997      -0.15182200       1.62355286       0.53092091
Cl       6.75141002       3.99963002       5.42623993       0.43836131      -0.16171023       0.38956268
Cl       5.26195998       9.74076995       3.20254998       0.03411729      -0.51781123      -0.89353375
Cl       2.15688002      12.06630006       0.57365104      -1.74252911       1.63171182      -0.62904309
Cl       3.27463000      13.18459993       4.47036005       0.27348365       0.61347603       0.30008673
Cl       3.73315999       6.68810999       9.13225994       2.36965375      -1.43556247      -2.48412630
Cl       5.52067000       3.02280003      10.12149999       0.16595541      -0.36283597       0.03005558
Cl       9.21188001       8.44825000       4.64614006      -0.18850555      -0.33049391      -0.00547839
Cl       1.25484006       5.48917999       0.06141055      -0.08026993       0.05532071      -0.41020015
Cl       7.56707995      12.40329997       6.01388003      -0.43502961      -0.49798944      -0.31947810
Cl       1.04673997       0.80569804      11.59489998      -0.33740475       0.31603618      -2.89448711
Cl       3.43769000      12.26230004       8.22962006       0.23541996       1.64483708      -0.11988879
Cl      11.14830004      10.11859993       0.10344206      -0.26898007      -1.31213506      -0.65225903
Cl      12.07790004       3.59473006       8.58292003      -0.38249621      -0.11374848      -1.14496281
Cl      11.71909998      11.94460004       2.34137001      -1.17980537       2.17515216       2.25275984
Cl       5.73072998       9.51962997       8.52083994       0.62181391       0.13965128      -0.61269337
Cl       1.42813994       8.68159994       1.49188002      -1.27296857       2.05503185      -0.68203037
Cl       9.33772003      11.58469994      10.28839997      -0.57083578      -0.15612449       0.16552608
Cl       8.73238006       1.80294004       7.99348997      -0.19633465      -0.37790766      -1.30332567
Cl       1.20414000      10.11620000       5.23778001      -0.65018883      -0.57857411       1.23604562
Cl      10.66479998       2.41941995      11.74980003       0.91351596      -0.93580368       1.86788442
Cl       2.03621996       3.14864997       5.67043006       0.98747062      -0.79763482      -0.13988888
Cl       0.20701103       6.68678006       9.70680999       0.30570089       0.24174153       0.20932620
K        1.50574004       5.21995005       7.29287995      -0.46870766       0.85213297       0.72974425
K       11.96530002       8.61682003       3.61593004       0.37852401       0.28526601       0.25462764
K        3.22932006       1.73280998       2.16894995      -0.21333095       0.35048172      -0.27019294
K       11.82270005       7.05216994      12.99230004       0.31671445      -0.28420071      -0.12710603
K        6.02555995       5.04083998       8.16327995      -0.09769345      -0.03288686       0.12231030
K        5.17169995       1.62625002       5.89855994      -0.25455716      -0.07159045       0.30446621
K        4.94550005      11.01889996       5.54664999      -0.20801483       0.12771292       1.03113685
K        4.17695000       7.41718000      12.95039995       0.40427959      -0.87661364       0.72077389
K       10.16519996       6.00960002       7.12767993       0.62590101      -0.69226918      -1.39490902
K        4.26291003      10.81279999       0.07236602       1.58188539      -1.71344539      -0.11811748
K       11.11970003       0.79838906       9.26474999      -0.01786778       0.07324122       0.72889347
K        7.79734997       8.90735000      10.23090006       0.40536368       0.02548689       0.99123320
K        9.67619994       9.78809006       7.17238995      -0.57845981       0.04511243       0.17450281
K        2.98885000       9.72823006       8.69470004      -0.76695604      -0.95389248      -0.23553096
K        2.17613996      11.16450004       3.02194998       0.31495521      -0.55339692       0.24180773
K        0.28711496       3.62976995      10.91230004       0.36460605       0.49553234       0.79449368
K        8.16818000       1.33997002       0.40534901       0.14560076       0.07565220      -0.42709156
K       12.92320001       3.34211000       4.34445995      -0.64779383       0.20023487       0.37927919
K        3.55145995       0.61075695      11.47389993       1.59972068       0.15383089      -0.91044460
K        6.90232002      12.88220000       8.77931995      -0.21728670      -0.19796399       0.55045903
K        9.61590994       0.63554597       5.04369002       0.39923363       0.25330647       0.12922427
K        0.39477496      13.02720003       6.85664005       1.32492984      -0.05445176      -0.48210007
K        9.21582004       3.48142002       9.95945997      -0.94326043       1.84682094      -0.31740844
K        8.43495005       9.95151004       1.99303997       0.05678366       0.25541205       0.27292519
K        2.03403999       6.56137996       2.66301003       0.70679736      -2.16916591       1.21144131
K       12.50010006       9.39929998      10.78020000      -0.05332462       0.36112266      -0.44588949
K        6.18800998       6.50178994       4.40501000      -0.06803122       0.72802934      -0.90662442
Li       2.55919000       7.33664000      10.38590003      -3.03259754      -0.41069676       1.48982865
Li      13.04370006       0.89736198      12.98140002      -2.12767165       0.38762249       3.01040056
Li      12.79040001      10.58340000       1.50167998       1.60918455      -1.28558412      -1.54532311
60
Lattice="13.23443393 0.0 0.0 0.0 13.23443393 0.0 0.0 0.0 13.23443393" Properties=species:S:1:pos:R:3:forces:R:3 energy=-577.13687122 stress="-0.012561639040738648 0.0015254353847578004 0.0020780226703954663 0.0015254353847578004 -0.0007873708014601433 0.0009662027768368245 0.0020780226703954663 0.0009662027768368245 -0.005754459752006886" free_energy=-577.13687122 pbc="T T T" config_type=melt 
Cl      12.19070003       1.74659999       0.00399402       0.44548034      -0.03757583      -0.03441527
Cl      10.23900006       8.88915000       3.94897999      -0.58920569       0.01994065       0.24776269
Cl       6.04468000       8.55082004       2.87792003      -2.52799895       1.64059347       0.78722212
Cl       1.11248996       6.08396999       6.70791995      -0.21204344      -0.54208662       0.59512319
Cl       4.03057001       2.91698994       2.89303005      -0.09954014       0.12884662       0.08370540
Cl       8.72464003       2.64824001      11.19300000       0.31601900      -1.89316114      -0.19338292
Cl      11.92810001      11.53730002       8.37384998      -0.09061292      -0.01567332       0.13017017
Cl       7.45680998       8.48520993      12.75370000       0.41234212      -0.49992869       0.42624248
Cl      11.19829999       7.12165999      10.16210006      -0.00963034      -0.81508176       1.51354475
Cl       6.69833994       4.40766006       0.02475594       1.32380630      -0.41842448       0.05199131
Cl       8.25275001      12.42840000       1.83611995      -1.44799841       0.04406104       0.04750030
Cl      11.51810003      11.15569994       0.64410005       5.71678865      -1.74116866      -2.91706832
Cl       3.43915995       9.51887005       6.77362998       0.36604798       0.31271315       0.68756757
Cl       1.61024006       2.48965999      10.20339997       0.48609494       0.70928941       2.56766847
Cl      10.85760000       0.94326906       3.45870999       0.35882236       0.17884674       0.36102265
Cl       8.80984994      10.46780000       7.84853004      -0.60348027      -0.95231543       0.67548036
Cl       0.40795804       9.22794000       4.28653998       0.34127291      -0.18437817       0.27285181
Cl       1.34696998       6.40616004       1.57593006       0.01394276      -0.15216220       0.43316092
Cl       4.32381000      12.12929994       1.04600995       0.41546097      -0.16038139      -0.68146676
Cl       7.18105996      12.89360001       6.13364001      -0.99017594       0.39080176       0.27752364
Cl       9.81275997       5.26807998       7.48903001       0.02953374       0.09958782      -0.44312137
Cl      12.53709996       1.83896006       7.77582006      -0.69670363      -0.03171033      -0.47285392
Cl       3.86046003       6.54678000      11.79860002       0.04755560       0.33778128      -0.15319809
Cl       7.44108999      11.08170000      11.25209995      -0.61936807       1.54543585      -0.61275782
Cl       2.63034004       1.11214004       6.85639998       0.33013275      -0.26417987       0.06290655
Cl       5.27842997       6.21960997       6.18154006       0.68825873      -0.42743434       0.25220408
Cl       0.38175995       9.97139994      11.41859998      -0.37566180      -0.49858772      -1.10046322
Cl      10.34989999       5.19474996       2.58977994      -0.26895101       0.47247084      -0.73995879
Cl       6.01188997       2.80161002       8.74516002      -1.33681959      -1.50014054       2.33487145
Cl       2.33245000      12.46610000       3.77021998       2.74678345       1.00323549       0.66904987
K       12.04789996       0.36033804      10.72910000       0.40376751      -0.02063687      -0.30929564
K        5.08847997       5.58629996       1.82706006      -0.92600395       0.67203028       0.35808797
K        9.63635000       2.78450994       0.57267606       0.04795889       0.24588658       1.05994869
K        9.81618994      12.13519998       5.91407996       1.07692436       0.42031768      -0.81465504
K        2.94583002       3.80094994       5.76409994       0.43234098      -0.06013835      -0.08052837
K        5.03552000      13.19499995       3.66177994       0.42822702       0.14199708       0.32919867
K        7.52271998       8.97320997       5.49587000      -0.19950725       0.10853062      -0.20429772
K       12.33119996       4.41469999       8.90385002       0.01958201       0.34891675       0.37433095
K       12.40579995       8.04221995       0.19835095      -0.02075271      -0.35940868       0.17972117
K        8.04513999       7.31487994       2.26821006       3.00609023      -1.64738472      -1.05407288
K        2.02267002       7.15311003       9.66919998      -0.05128222       0.33998562      -0.08399804
K       12.38490000       6.64562997       4.69246005      -0.23503793       0.94325048      -0.82190015
K        1.64595000      10.58300006       0.42732598       0.90515705       0.29533414       1.01783071
K        1.11981005       2.30354004       1.93042999       0.04006586      -0.01898222      -0.04126770
K        6.50911996       0.65127801      13.15140003      -0.00270504      -0.06856882      -0.07197076
K        3.07215997       7.24609000       4.84678004      -0.42648514       1.03681758      -0.62913719
K        6.84444995       8.76257005       9.18333003      -0.40675788       0.03203636       0.58074697
K       10.05039998      10.01319997      11.24169994       0.45056483      -0.20808479       0.00974155
K       11.12689996       8.62133998       8.04164994       0.25547054       0.77453012      -1.44169607
K        0.08221588      11.88210003       3.36890006      -4.14492074      -0.56261820      -0.85946622
K        4.60250005      12.50910000       8.39616999      -0.07432379       0.12604140      -0.51036051
K        7.17584996       3.95668005       6.94860997       1.10775420       1.15702352      -2.39557770
K        8.46056001       5.03373005      10.24330006      -0.26226873       1.32438407      -0.07617178
K        8.01571998       0.33716798       9.39426997       0.05539781      -0.06824718      -0.35368677
K        4.40754995       3.82802005      11.94810002      -0.85205884      -0.52555128      -0.80540105
K       11.17510003       3.95857006       4.77409997      -0.08790675      -1.57245411       0.93215580
K        1.06841995      11.39229999       6.61017995       0.31756970       0.03665464      -0.17936090
Li       1.37282001       2.20491995       8.33024993      -0.10102115      -0.84499805      -2.02676226
Li      10.03480003      11.55739995       1.39510004      -4.68316930       1.32057378       3.00252539
Li       6.77207996      10.33389995       1.07947997      -0.24282193      -0.11645104      -0.21356441
60
Lattice="13.23443393 0.0 0.0 0.0 13.23443393 0.0 0.0 0.0 13.23443393" Properties=species:S:1:pos:R:3:forces:R:3 energy=-576.62873982 stress="-0.008642534992856138 -0.0004263316735073408 -0.002708431182720202 -0.0004263316735073408 -0.013626206765580587 -0.0037800916024950653 -0.002708431182720202 -0.0037800916024950653 -0.006598537441347241" free_energy=-576.62873982 pbc="T T T" config_type=melt 
Cl       8.46254001       6.67046002      11.52229998       0.13875412       0.04928152      -0.05261093
Cl      10.81449995      13.13770001       7.57187002      -0.87775034      -0.79291394      -1.12933386
Cl       2.59416001      10.08269994      10.67769998      -3.44188935       3.04613627       0.74991143
Cl       1.29963001       8.48591996       5.96098001       3.93697878       1.17918877      -1.36295042
Cl       3.96032005       1.56733006       3.42327996      -0.06809463      -0.28866868       0.41957397
Cl       5.52452996      11.77879998      11.08480003       0.39890548       0.61607463       0.49736204
Cl       5.53185005       3.99451002       1.04850994      -0.11486223       0.31451297      -0.02625857
Cl      11.05070006       0.80649396       2.85858995      -2.01948513       0.51531656      -1.93503503
Cl      10.83929996       8.70171998       4.58669006      -0.01582280      -0.13317328       0.07202191
Cl       6.65995003       1.37956997       7.74042006      -0.46272647       0.56532605      -0.16063585
Cl       1.41819003       1.88316995       0.55184599      -0.08237247      -0.31399811       0.02638631
Cl       1.85905999      12.67289994       7.94952002       0.43208802      -0.37181690      -0.21318910
Cl       0.53775197       5.32242003       1.95701995       0.39213481       0.48158206      -0.26702348
Cl       3.24031999      11.69190004       1.15771996       1.82519735      -0.34879459       1.37196987
Cl      11.11940000       7.14312994       7.67346997       0.38228817       0.31719469       0.86960112
Cl       6.80185995       6.45489994       4.72995995      -0.20618591      -0.39463638       0.32581073
Cl      12.45800000       4.04534996       5.53713999      -0.36198954      -1.65438001      -0.04032372
Cl       0.84888399       3.15701003      10.33860003       0.15954703      -0.62372042       0.53268553
Cl       8.68439002       9.86803994      10.01619996      -0.76208271      -1.42818818      -2.01723873
Cl       5.29851997       9.76192003       8.38189996       0.39568003       0.11195598       0.23203907
Cl      10.03169999       5.17866999       2.39179995      -0.03329059       0.02636569       0.03225847
Cl      12.84392390      11.28190006       2.97623997       0.97991550      -0.37662175      -0.54409198
Cl       3.77615006       5.23353003       7.14672998      -0.39743389      -0.46042489      -0.20121103
Cl       8.49274006       1.43591994      12.64409996       0.01088834      -0.27440698       0.42058279
Cl       7.36989998      12.27850005       4.66377005      -0.29902405      -0.68069864       0.31323547
Cl       5.08920999       7.01178997      10.88240001      -0.96628535      -0.52922901       0.47210399
Cl       0.31084694       7.99587005      11.44409996       0.48528755      -0.68676252       0.75940044
Cl       8.22211005       9.41194005       2.01175002       1.30522190       2.81479690       0.34314206
Cl       4.58480998       8.14271999       2.24395995      -0.01278940      -0.16220322      -0.03963118
Cl      11.68039998      13.04520005      11.28219995       0.31630398      -0.40517099      -1.90001460
K        4.25288005       8.03291005       6.52665003      -0.26214166      -0.62206019      -0.68546318
K        3.86699995       1.38709004       8.77742994       0.09154986       0.40191343       0.03695820
K        0.01826524       6.43330995       5.83970999      -1.06363134      -0.88010175      -0.30132437
K        2.41855005       4.13730996       3.72502995      -0.18988296      -0.27157041       0.05436257
K       12.03180001       1.30398997       4.94022996       1.81513104       0.52899423       3.58378413
K        4.56077002       1.26371004       0.54368696      -0.24060004      -0.05417777      -0.13358577
K        7.85301003       8.99434999       5.35090001       0.22006470       0.57158808      -0.20369213
K        7.62531000       7.03967995       1.81040995      -0.75620814      -3.06337880      -0.50170948
K       12.07929998       3.40696997      13.10595193       0.10979156       0.10740740       0.10907784
K       11.91240000       7.51998998       1.82651996      -0.68505806       0.02811898       0.11489354
K       12.90619998       9.86908996       7.12622004      -2.13955356       1.90887215       1.32345897
K       11.51089997      13.10690004       0.54256004       0.11289712      -0.39426625       0.61418652
K        8.83731999      11.61709995      11.75430000      -0.04064314       2.05430902       1.55009503
K        5.92918005      10.56429993       0.90591394      -0.34009126      -0.00068489      -0.34805297
K        9.69854998       5.88970994       5.61129001       0.00281109      -0.44563001      -0.66008667
K        3.14454001       5.87282002       0.21992704       0.23213349      -0.15361865      -0.11168887
K       11.08250002       8.52133994      10.39639996      -0.51032663      -0.48749015      -0.19101886
K        8.31871996       1.28973000       3.33957997      -0.38725852       0.86747278      -0.50873665
K        1.17917006      12.03579998      13.04279999      -1.74873241       0.56556998      -1.61175904
K        7.87044004      12.04689997       7.99477000       0.08628306       0.02496905      -0.01151642
K        7.16813998       3.96512005      11.59780004       0.14714290       0.13145338       0.14540091
K       10.09880003      11.53430004       3.79339996      -0.17361237      -0.86764551       0.22259626
K        5.46833006       3.42450996       5.02481996       0.43194020       0.35919313       0.56390382
K        1.97678002       9.07997995       1.86234001      -0.48216695       0.04589508       0.03903523
K        3.02351998      11.91279995       4.13853004      -0.10200770       0.36389071       0.16337025
K       12.83359998       1.12556002       8.75239000       0.43636200       0.37082702       0.64071232
K        1.07430994       5.57671995       9.33931001       0.11275356       1.14858056      -0.44239404
Li       6.62792997       7.99851998       9.82844000       1.11312483       0.59169907       0.07347841
Li       3.81755002       8.78063003      10.50689994       3.01115484      -2.91236600      -0.57067024
Li       3.90528002      11.39909997       9.62942998       0.16166831      -0.02968728      -0.50215209
60
Lattice="13.23443393 0.0 0.0 0.0 13.23443393 0.0 0.0 0.0 13.23443393" Properties=species:S:1:pos:R:3:forces:R:3 energy=-578.24015195 stress="-0.006556821478742177 -0.0002461648265739068 -0.00048062802190653467 -0.0002461648265739068 -0.004300214776920055 0.0003359949914455774 -0.00048062802190653467 0.0003359949914455774 -0.005263687305453909" free_energy=-578.24015195 pbc="T T T" config_type=melt 
Cl       0.82837803       2.16134995       0.36689901       0.35986399       0.48264028       0.17874121
Cl       1.68961001       2.91291002      10.16330003      -0.68339557       0.22809670      -0.79241410
Cl       7.42078003      12.91749994       2.25032002      -0.21313461       0.82817973       0.93713510
Cl       1.07517997      11.79100001       6.98871997       0.26051024      -0.11301984      -0.27753361
Cl       8.88233004       8.24427998      11.73979996       0.69357319       0.10016112      -0.71606297
Cl       5.50306000       5.80356000       7.30616997       0.29869371       0.26910600       0.21264005
Cl       8.44095002       4.57640995       2.02369000       0.11051475       1.73520123       0.01480951
Cl      10.97330006       2.61139005       9.35426995       0.17420974       0.59144550       0.37981088
Cl       0.20987404      12.16770004      10.40299998       0.36974277      -0.27362647       0.01449680
Cl       9.77264005       6.47102994       7.77468997      -0.02549838       0.24453670       0.27272253
Cl       4.98192002      12.87240003      11.38710004      -0.35762507       0.27574600       0.05555561
Cl       3.93657999       2.22621005       6.81916000      -0.02537782      -0.42720379      -0.06978749
Cl       0.08794228       7.48569996       7.81017003       0.26548757       0.21221582       0.04378110
Cl      10.06629996      12.05690004      10.35880001      -1.59066287      -1.32770138       0.48801799
Cl       9.83680006      10.29660003       5.81330001       0.91607834      -0.28778878       0.49343319
Cl       1.63726994       5.44421004       4.44661999      -3.61143556       1.04398393      -1.45273081
Cl      12.20189994       5.82231001       1.13987994       0.79258676       0.02742464       0.12059684
Cl       4.00095995       1.09758997       3.27907002       1.30957647      -1.12478796      -0.37593152
Cl       4.98154006       8.50532005       9.65544993       0.46464740       2.03274188       0.04729946
Cl       5.16277994      10.07680003       4.16298000      -0.51058258      -0.44439007       0.27579731
Cl      10.53870004       2.39912998       1.51349000       0.18499526      -0.82007211      -0.59457816
Cl       8.71891998       0.60239702       6.59113004      -0.47667953       0.34718832      -0.35794736
Cl       4.80251999       4.63812000       0.97501502       0.03207417       0.40539879       0.83846907
Cl       6.27661994      10.08399996       0.48877597       0.32656231      -0.52774225       0.00454906
Cl      10.50020001      10.24040000       2.01346004      -0.62001251       0.37340204      -0.09538693
Cl       1.89991998       6.75503996      11.80770002      -1.20365753       0.01312604       0.99358158
Cl      11.99579997       2.15306996       5.56766998      -0.09692965       0.31082857       0.05401752
Cl       6.55664005       3.82340004       4.70001003       0.07701283       1.30329464      -0.35526800
Cl       0.53290804      10.13040002       2.18452000       1.29350338       0.86312951       0.56253793
Cl       6.17478997       4.26821002      11.01049993       0.21160292      -0.41178630       0.16649478
K        2.00781000       9.95415997       9.18752998       0.01584592      -0.20209329      -0.06947331
K        7.10743998       2.27100001       1.03843006      -0.61143210       0.31626822      -0.52192852
K        2.75012000       3.19416001       2.68437001      -1.19777531       1.31437079      -0.42326061
K        4.06623006      11.31869999       1.78335003       0.03323428       0.22202648      -0.15613894
K       13.17950004       9.42964005       5.22124993      -0.06123554       0.07580880       0.05678924
K        3.74343997       4.80266993       5.30561998       3.21112593      -0.93152812       1.64212575
K        8.65397994       3.78634998       8.13884998      -0.54886472      -0.47995953      -0.11256236
K        3.59306001       3.34851004      12.01040006       0.42126826      -0.39454790       0.13650566
K        7.87742994      10.65200003       3.92833004       0.20745220       0.10815089      -0.42523624
K       12.38870000       8.56005000       0.53966501      -0.42420135      -0.12255207      -0.49041892
K       10.43099994       6.01916004       4.91604006       0.32561073      -0.14221030      -0.11283211
K        7.05828002       7.09719005       0.31064499      -0.41831027      -0.33557590       0.00036671
K        6.66346999      10.60290001      10.86930004      -0.00592066      -0.06412865      -0.10712177
K        2.86279003       0.50185595       9.04462999      -0.05018077      -0.04635546       0.14320351
K       11.38000003       0.74043601      11.54790000       0.88269113       1.51129877       0.82446549
K        9.72083995       9.71772006       8.70082996      -0.05784538      -0.42927810      -0.34236973
K        7.03100994       6.56681005       9.85420996       0.65921409       0.37004277      -0.71998463
K       11.21380003       0.02522986       8.19767995       0.60542115       0.16860583      -1.37266575
K        0.18702902       3.98452001       7.71018004      -0.08216412      -0.16104913      -0.13648856
K        3.64758998      12.49409996       5.15595997      -0.36590382      -0.63242719       1.11693888
K        6.48536005       6.62380996       3.62289995      -0.33323720      -0.10715197       0.23299285
K       11.08560005       0.04520036       3.76263996       0.04248953      -0.33858170      -0.00258801
K        8.64480000      12.15079994       0.01326606       0.41473903      -0.81019293      -0.50906121
K        3.57322000       6.37802998       9.74167002      -0.36229202      -1.93331007      -0.89961781
K       12.01160003       7.18835995      10.37050005      -0.05890734      -0.37229463      -0.03818211
K        8.62610001       2.25276998       3.98159996       1.00018974      -0.62702643      -0.04041670
K        0.71906901      12.24430002      13.21110003       0.22412071       0.26176092       0.39962034
Li       5.76648995       2.18591001       5.55246004      -0.70133706      -1.16995864       0.71207553
Li       1.08984994       4.69794996       0.50077404      -0.55343530       0.15926464      -0.35890754
Li      10.74169998       4.57019995       0.39244702      -0.93660383      -1.13710460       0.50732423
60
Lattice="13.23443393 0.0 0.0 0.0 13.23443393 0.0 0.0 0.0 13.23443393" Properties=species:S:1:pos:R:3:forces:R:3 energy=-575.2566325 stress="-0.011616344451903763 -1.6802485849879655e-05 -0.0005031348226748511 -1.6802485849879655e-05 -0.008915822128815826 0.0022077018126964295 -0.0005031348226748511 0.0022077018126964295 -0.013436706509455016" free_energy=-575.2566325 pbc="T T T" config_type=melt 
Cl      10.04590001      10.39850000       7.64734004       0.71108317      -0.56574397       0.33151137
Cl      11.79480002       4.25006006       3.90678994      -0.29465219      -0.26762167      -0.13142711
Cl       6.43721000       8.67486003       8.53760996       1.36313747       1.11180189       1.29789390
Cl       5.39579994       9.02951004       4.07487996       0.01808174       0.24588202      -0.31830579
Cl       0.16715302      12.91710000       3.59711994       0.15596262       0.53389139      -0.09013493
Cl       4.74253002       4.80876002       0.18955203       2.45262692      -4.88607653       3.64032675
Cl       7.02186005       0.87320398       1.95342998       0.78053631      -0.65463357       1.56238444
Cl       9.80132000       2.28604002      12.69289995      -0.53171229      -0.08480351       0.66575502
Cl       3.62542998      11.40350002       1.55131996      -0.22462941       1.21659349      -0.27749044
Cl       9.19609994      11.28840002      11.16259997      -0.51210542       1.32615141      -2.45505240
Cl       4.04777994       6.81969004      10.45639999      -0.29514625       0.48185247      -0.79805746
Cl       8.92851000       6.21345000       6.28446002       0.12731614       0.02151541      -0.15376841
Cl       8.92082000      10.25449997       3.43551003       0.15671862       0.78464459       0.20524612
Cl       2.82355999       2.11359005       4.96823005      -1.60911298       0.19640431       0.97576955
Cl       9.92728997       0.87407203       5.85822999       0.50796823      -1.81325579      -0.84179009
Cl       2.02799000       6.53646005       1.53070005      -0.01270524      -0.85594126      -0.24625748
Cl      12.53149994       8.19399005      10.03030005       0.12155188      -0.60412353      -0.55601830
Cl       3.74286004       5.43850997       5.10371003       0.86020432       0.05114634       0.17213612
Cl       5.48393995      12.76679997      11.97290003       0.57424114      -0.26888734      -0.30849359
Cl      12.46840001       8.89462999       2.83988004       0.14114714       0.27166659      -0.21939496
Cl       4.73048999      11.81259993       8.12466994       3.17051103      -1.45810049       1.63817157
Cl      11.57519999       3.32178005       9.08570993      -1.58451451      -0.60621659      -0.66901045
Cl       7.70217004       7.45991994       0.73184395      -1.34624272       0.03891188      -0.44692436
Cl       0.04922521       3.88032994      12.20899995       0.35600011      -0.08618670       0.03853211
Cl       1.43296005      10.50150003      11.47280002      -0.20383617      -0.34606935       0.34300299
Cl       6.44959995       2.21440004       7.28457997       1.29889059      -1.03812805      -0.09047824
Cl       0.97895200       7.79827002       6.94068996      -0.09556751      -0.04193866      -0.08888248
Cl      10.21229999       7.88714004      11.98330004       0.18688680      -0.98319840       0.69627543
Cl      13.14692124      12.02719998       8.09622994       0.22172740      -0.33706649      -0.03889418
Cl       2.43327998       1.79002998       8.86645004      -2.13148221      -1.59977335       1.19878314
K        9.14938000       3.01477996       6.84101005      -0.41319158       2.93327461       0.72318321
K        9.57657999      10.17120006       0.07196607       0.16183617      -0.81083374       2.83697002
K        9.74502005       7.78567998       2.39969006       0.76376731      -0.65021865       0.70978833
K        4.87194994       1.38727002       3.65788994       0.99205492      -0.49116751      -0.38777496
K       12.97760002       1.46783993       6.98898995       0.22099634       0.24805582      -0.44010359
K        1.06684995       5.64727999       4.40863001      -0.18089607       0.27658279      -0.18478438
K        6.35752005      11.04180003       1.98702995       0.24928679      -0.13012291       0.03404882
K        9.81138002       2.09022995       2.63621004       0.22405974       0.10045052       0.30850941
K       11.03479994       1.18954004      10.51790001       0.48842425      -1.51630388       0.18006927
K        3.15458998      12.38390001      10.43099994      -0.36329691       0.85134953       0.21068947
K       12.78419994      12.16240005       0.98739306       0.50192529      -0.64654818      -0.20713424
K        4.12813003       3.20476000       7.80205997       0.44721907       2.48842381      -1.28069406
K        5.57703995       5.93059005       2.50967998       0.11031731       0.78161544       0.97854646
K        2.95732002       9.22879005       8.94676002      -0.45506562      -0.27258897      -0.05003241
K        2.89963999      12.65390006       6.86319996      -3.09914583       1.55798571      -2.30688144
K        0.07313070       5.11570995       8.81000002       1.63732170       1.86356079      -0.17357510
K        7.55845996       0.20178700       9.35913003      -0.50187100      -0.39948596       0.08262359
K        0.44753006       6.90576997      12.29670004       0.22219359       0.39764824       0.38304020
K        5.47012995       7.63997997       6.50947994      -0.75016320      -1.69002428      -1.86012365
K       11.40739994      11.80700005       5.21904005      -0.04107714      -0.75587993       0.05896809
K        5.86083002       9.34070002      11.05520003      -0.07531789       0.26817170       1.10181372
K        7.66549001      11.09420005       6.41788998      -0.60430069      -0.28209000      -0.47402097
K       10.62779994       4.96195005      11.96169999      -0.28981052       0.14958265      -0.15179136
K        2.83240999       9.01848999       2.43222003      -0.40762347      -0.17522006       0.68337291
K       11.53519998       8.12496004       5.52627995      -0.45444909      -0.30222968       0.30058706
K        1.82164995       2.81936997       1.27736996      -0.11199639       0.43232844       0.13306039
K        6.77355997       1.86742005      12.87299995      -0.21845974       1.09965703      -1.47870561
Li      12.28630003       9.69703994       8.56019002       0.04042618       0.84341258      -0.37814014
Li       9.53411003       8.72703004      10.20369999       0.05327580       0.70253430      -1.02193390
Li       4.06088997       5.84331994      12.23600004      -2.50932405       3.34538325      -3.36498296
60
Lattice="13.23443393 0.0 0.0 0.0 13.23443393 0.0 0.0 0.0 13.23443393" Properties=species:S:1:pos:R:3:forces:R:3 energy=-579.68078071 stress="-0.0039538507101900666 0.005517380833822238 -0.0028880120518108613 0.005517380833822238 -0.003140351871747897 0.00413588619629919 -0.0028880120518108613 0.00413588619629919 -0.005481639125163797" free_energy=-579.68078071 pbc="T T T" config_type=melt 
Cl       1.97009994      10.39320001       2.24448006       0.17410708      -0.56384052       0.59267465
Cl       6.13733996      10.16549999      11.58640003      -0.33851886      -0.48814709      -0.34641925
Cl       1.15964994       6.64170001       0.37343298       0.97942022      -0.84581292       0.07357387
Cl       3.23914994       3.31099994      10.12599997       0.44614497      -0.85651916      -0.47809676
Cl       3.82197998      12.75289998       4.83029006      -0.13791240       0.72415350       0.00376015
Cl       3.69883000       1.47327995       1.01834999       0.20498818       0.60055596      -1.48442761
Cl       4.43657002      11.17349999       8.00349996      -0.20551931      -0.13941467       0.13959496
Cl      13.04429998      11.22650006      11.68050003       0.57187236       0.33742055      -0.57802997
Cl       6.22435994       2.97935999       7.11709000       0.27880755      -0.41247007       0.55596425
Cl       1.49297001       2.21959998       6.08286995      -0.41112873       0.18364967      -0.60005161
Cl       1.51006003       9.35494001       6.50438005      -0.54233282      -0.23429465      -0.41266443
Cl       0.62257795       0.29306608       8.59434994      -0.74252191      -0.01035682      -1.20774830
Cl      11.28560001      12.00769997       4.60457997       0.91027070      -0.53332805       1.63555569
Cl       6.07226003       7.96179006       1.58898000       0.31069150      -0.01284164       0.22820684
Cl      11.92360004       1.13915006       2.26605999       0.14581905       0.15654380      -0.09654728
Cl       7.87417996       4.45980995      11.35640000      -0.34152515       0.49353912      -0.05764474
Cl      10.65869996      10.40929996       0.74142197      -1.15864956      -0.60352672       0.32714254
Cl       2.68972003       6.98452002       9.45525000      -0.81709161      -0.34623997      -1.18429960
Cl       4.96493005       7.43766995       5.68901994      -0.08127886       0.04818710       0.03286598
Cl       9.61952003       8.06421002       6.47831999       0.64725279      -0.49179711       1.16168815
Cl       0.86275195       6.54189001       4.63958994       1.94546229      -2.23169087       0.92413383
Cl       8.09732998      11.55020002       3.71881995      -0.60150732      -0.26197183      -0.24610924
Cl       7.59622005       0.72873002       0.34966605      -0.43810024      -0.00272315       0.21523648
Cl       9.68161004       8.59205999      10.43520002       0.48556386      -0.16345626      -0.97598317
Cl      10.83030001       6.38241005       2.30477005      -0.40973209       0.01322650       0.11406325
Cl      11.71840001       3.88026006      12.11519997       0.02359462      -0.45554118      -0.16412108
Cl      12.21340000       3.80807006       8.71140997      -0.03217688       0.61170706      -0.20619271
Cl       4.81165995       3.99647004       3.74152998      -0.65812279       0.58013506       0.51374396
Cl       9.18856994      12.19700002       8.89464004      -1.20201942       1.48374661      -0.13042143
Cl       9.55022996       3.19937993       4.71418993      -0.21634089       0.01843308       0.44115703
K        4.09687995      12.11030005       1.70003000       0.63054426      -0.29606057      -0.12710154
K       11.92779999       4.69212999       5.63222000       0.14830972       0.22792773      -0.30823906
K        9.73583006       5.80562999       8.49353995       0.11934037       0.03489674       0.81088796
K        7.12130994       4.38668004       2.18992997       0.51184116      -0.12922621      -0.34989101
K        2.36151004      12.42989999      10.05930001       1.53070245      -1.41213269       1.23162764
K        7.48799997      10.87779998       0.78811094       0.45927606       0.15958650      -0.08222004
K       12.86259994       1.06293005      11.03170004      -0.56578321       0.35940382       0.87155531
K        8.30722003       0.28528794       5.71622001      -0.07068299       0.66233840       0.47861485
K       11.03770000      10.51090005       8.36617004       1.27741884      -1.26981674      -0.04075299
K        8.07725004       8.70755994       4.49550004      -0.74442923       0.13453179      -1.66297486
K        2.68697997       4.34159999       7.46091994       0.02016709       1.11486505      -0.08845706
K        4.18849995       7.41687005      11.53220000       0.91144133       0.58314754       1.65641407
K        9.00555003       1.80590005      11.43469994       0.65133550      -0.06219505      -0.16647071
K        6.91895002       5.30533001       5.97791003       0.23761885       0.08819178      -0.59580897
K        5.50006002       2.59947006      11.59910006       0.35347519      -0.32385468       0.69709299
K       12.60810005       8.26558000       3.64658999      -1.13336394       1.90652480      -1.02337153
K        8.28986995       7.62240994      12.56050003      -0.27145797      -0.22282019       0.61485744
K        3.90906004       1.57807999       7.56452994      -0.06866810      -1.23942848      -0.12020309
K        1.14290997       4.74449996      10.93480003      -1.17142771       0.77781892       0.58390395
K       12.91840002      11.69840000       1.41243001       0.17604343       0.72383622      -0.06158140
K       12.03959999       1.61629998       7.01066001      -0.76042178      -0.32216016      -0.74252648
K        4.47593995      10.15209999       4.51097997      -0.26113376      -0.76936613       0.07411331
K        0.76814494      11.88180001       5.83926994       0.37154870       0.77532975      -0.32426720
K       12.50469995       8.21485996      12.58700000      -1.03954192       0.81915257      -0.33969129
K        2.40340999       1.57816998       3.34792997      -0.43758439       0.44342960       0.65108047
K       12.69580001       4.16305001       1.59924000      -0.10983634       0.08911984       0.03460441
K        7.16565005       9.89943003       8.21253997       0.04935414       0.14302391       0.73224671
Li       2.68924994       8.71395005       8.06098002       0.70721167       0.08693058       0.29992967
Li       3.32439994       6.26130002       4.25850005       0.07688228      -0.12805636      -0.10461214
Li      10.10599996      12.57879994       3.05854002      -0.38769606       0.44773639      -1.38936380
60
Lattice="13.23443393 0.0 0.0 0.0 13.23443393 0.0 0.0 0.0 13.23443393" Properties=species:S:1:pos:R:3:forces:R:3 energy=-578.6151111 stress="-0.019074417372749123 -6.877434645437563e-05 0.0010461413418722133 -6.877434645437563e-05 -0.010092470093544383 -0.003297083381083375 0.0010461413418722133 -0.003297083381083375 -0.005467607039245096" free_energy=-578.6151111 pbc="T T T" config_type=melt 
Cl       0.24845400       0.54926898       5.31509001       3.91021276      -0.90095431      -1.37185569
Cl      11.46650003       4.28368994       0.83273295       0.03945800       0.25570313       0.07969971
Cl      11.28419994      12.75009997       8.28931001      -0.25044933       0.17900765       0.13771861
Cl      10.52389997       9.98140001      11.69779995      -0.57557290       0.16641912      -0.50122473
Cl      11.25180006       1.07608004      12.87879994       0.01701288      -0.48795521       0.08585550
Cl       9.26578995       2.27740005       3.82786004       0.53414572       0.21565494      -0.22553433
Cl       0.18821694       9.73767997       5.77551001       0.31117810       2.06896607       0.09419954
Cl       7.84100004      11.54770003       3.48873005       0.66970610       1.32686863       0.02546291
Cl       8.00900999      11.66860003       7.26123999      -0.17396372       0.11401149      -0.49081270
Cl       5.29303006       6.66052003       3.29834002      -0.03302027       0.30305658      -0.12683385
Cl       3.53498003       3.71556997      12.85620003       0.10554476       0.41419774       0.23294771
Cl       2.53105002      12.91149998       1.55641999      -0.17944412       0.60442688       0.01228205
Cl       5.32676000       3.83901005       8.36405994      -1.30543017       0.26151936      -0.62240364
Cl       8.43345999       7.83704003       1.32043997       1.43497067       0.21346857      -0.12566128
Cl       8.29862996       5.52757996      11.05759996      -0.19823944       0.12628886      -0.15023504
Cl       8.39963000       8.10432994       7.57019004       0.62682201      -0.53104495      -0.71183660
Cl       3.00474998       2.99231001       3.51903003       0.53239179      -0.55157588      -0.32748930
Cl       8.13786004       2.00345997       9.91322005      -0.03790431      -0.21759176       0.12709053
Cl       0.53739094       6.84735993       3.02778001      -0.63601448       0.17823443       0.01580717
Cl       4.71860997       0.40704606       7.38998999       1.47279924      -0.99767600      -0.24772612
Cl       2.47345998       4.80487995       6.38871996      -0.81795100       0.48842229       0.91215371
Cl       4.06456001      10.32500006       4.32497000       0.86482540      -0.95680907      -0.03631251
Cl       0.19256604       5.76603998      10.22180006      -2.61522509      -0.46319978       0.89410739
Cl       3.83512998       8.86599994      12.70590000       0.32160315      -0.12687357       0.31395070
Cl      11.98330004      10.93489995       1.96434997       1.92785313      -0.31183786       0.82560718
Cl       5.50373006      11.37170006      10.38549995      -0.67303717      -0.59520774       0.75758444
Cl       5.93004995       1.78940002       0.02056856       1.13937218      -0.45104318       1.98439265
Cl       2.31075003      12.84369997      11.10480004      -0.71342729       0.95524935       0.41474637
Cl      11.47619994       5.35734994       5.14751005      -2.12041238      -2.84052100       0.05133649
Cl       2.77588003      10.03980000       8.66348994      -0.43166201      -0.59854733      -0.07433394
K        2.79274004       1.97519003       7.35382002      -1.64509591       1.38656346       0.07550006
K       10.56029996      10.69730004       5.97682997      -0.61374288       0.07337161      -0.08723069
K        2.78973000      12.62009998       4.39550000      -0.35502715       1.16729207       0.28529835
K       13.17290003      10.78269999       8.46122993       0.60415554      -0.23985873       0.35384567
K        1.54285998       9.57331002       3.16506000      -0.22922998       0.11139232      -0.60647832
K        8.87808006       2.86022996      12.91770005       0.09178109       0.02614728      -0.34267826
K        9.67237002       5.32733993       2.95917006      -0.03000284       0.05363456      -0.14617180
K       12.69549999      11.77510003      12.24499999       0.61596638       0.35344309       0.12724044
K        9.73532993      11.60060005       1.06040002      -1.90101847       0.37049110      -0.69150311
K        4.90439006      12.06340000       0.33169700       0.03040636      -0.69802598      -0.34363639
K       11.95379996       1.13880001       2.53918999       0.05552579      -0.10001211      -0.34968971
K        6.36025005       6.26408005       0.82771498      -0.81573406      -0.68011121      -1.44585517
K       11.38330004       7.50078999      12.71849998       0.04767645      -0.64550275       0.43461209
K        0.48698204       3.59939996       4.88873002      -0.10770364       0.05740386      -0.53426663
K        4.98813994       5.25815005       5.53894000       0.59173172      -0.46415586       0.73128191
K        7.87713997      12.00780002      10.04470004       2.90543082       1.20610662      -0.29552746
K        2.76186000       5.60151995       2.19818005       0.61519417      -0.17365002      -0.61659703
K        5.00970995      10.85430000       7.11088001       0.66645537      -0.37953282      -0.20691604
K        7.36959996       8.54575006      10.00600005      -0.40432493       0.01998633       0.95931859
K        4.91385996       1.42941005      10.92329997      -0.59307247      -0.00081466      -1.82696027
K        7.16938005       1.05767002       5.24868002      -0.34377292      -0.81759791       0.46491000
K       12.74720004       7.31428003       5.72100995       1.46211900       0.55690176       0.74897898
K       11.37740000       1.21111997       6.03363004      -4.54490761       1.46379047       1.61684010
K       10.17879993       5.85774005       8.73950998       0.14700071      -0.02313645      -0.05457842
K        6.68723996       9.24071996       2.99222002      -0.95893249      -0.52907535       0.32727714
K        2.45190996       6.23020003       9.34375996       2.46914984       0.61965813      -0.86258193
K        0.82014700       3.43860000      12.55850004      -1.07204223      -0.16040011      -0.24799855
Li       3.96671003       1.96074994       1.37300000      -0.40718546       0.18675865      -0.05656114
Li       3.50249995      11.55760005      10.05189997      -0.63413379      -0.68548616      -0.41220747
Li       7.10235995       3.82938994       9.28762994       1.20719136       0.10376136       1.04965214
60
Lattice="13.23443393 0.0 0.0 0.0 13.23443393 0.0 0.0 0.0 13.23443393" Properties=species:S:1:pos:R:3:forces:R:3 energy=-576.03173003 stress="-0.006611077438335817 -0.005118000527248737 -0.001268290813646605 -0.005118000527248737 -0.009062691910177697 0.0052861166615769915 -0.001268290813646605 0.0052861166615769915 -0.010601817889165395" free_energy=-576.03173003 pbc="T T T" config_type=melt 
Cl       7.15272994       6.32482994       6.65906994      -0.14002840      -0.94878262      -1.41836534
Cl      11.57650001      11.32530000       2.14105005      -0.79428312      -0.24626878       0.40033170
Cl       8.72516994      10.12530000      10.29949995      -1.22755643      -0.58718470       0.26434368
Cl       0.66063105       3.03761995       7.71207005       2.28458080      -0.31012985       4.06631948
Cl      12.45139999       2.20277995       3.02423001       0.06896537      -0.55398192      -0.03957797
Cl      11.67110001       6.74738000       4.71666001       0.07357525      -0.53773830       1.18929484
Cl      12.50810001      12.72640001      10.33699999      -0.61421242       0.35661947       0.38667517
Cl       3.15248001      10.75079997       9.39521993       0.08092218      -0.46461928       1.81323194
Cl       5.60131005       7.12080001       2.54548005      -0.10645005       0.15362287       0.34426851
Cl       0.12546204      12.90150004       6.83634002      -0.69659335       1.91651779      -0.89344243
Cl       5.55667004       0.46403697       9.93640995      -1.12252966      -1.61135303       1.62512375
Cl      12.84519996       2.64040006      12.19229994      -0.49456270       0.69681007      -0.18104543
Cl       7.81691006       3.85914002      10.45500005      -0.22171895       0.11902216      -0.45138200
Cl       9.91203001       7.53492993       1.23222003       1.35710272       0.65008606       0.69382098
Cl       7.27742001       7.79955006      12.30469999       0.54936930       1.65805215      -0.70567551
Cl       4.21870001       1.47873995       2.81185996      -0.18020841      -0.06584484      -0.17985577
Cl       2.37561001      12.85290002      12.70909996       0.18851351       0.61546079       0.50354995
Cl       3.21815999       4.43143003      10.96809998      -0.14270032      -0.16706441       0.37154297
Cl       6.78279998      11.56670005       1.47957994      -0.37772015      -0.09006573      -0.13244762
Cl       7.94229997       4.52348995       1.03390998       0.41085103       0.49968562       0.55403015
Cl       5.77683994       2.43145998       7.68893004      -0.95574649       0.86893275      -1.54488087
Cl       8.64740004       0.89109694       0.15738204       0.23665710      -0.21691694      -0.79182448
Cl       1.63881003      10.98219995       4.52917003       0.52783679      -0.30949697      -0.36974888
Cl      10.54220002       2.94128995       6.06580004       0.36119126      -0.05100483       0.20889583
Cl       1.75669006       7.86523997       8.15983000      -0.19290871      -0.59068903       0.32013732
Cl       8.84720002      12.24369997       5.98763006      -0.99927199       0.13121496      -1.65174712
Cl       1.80271995       7.87217997      13.18480004       0.07300139      -1.27886254       0.72453050
Cl       5.50216006       9.14370997       5.74098005       0.06782388       0.34888676      -0.26796631
Cl      11.94630001       9.55142000       9.14145006      -2.03363369      -1.87035298       0.61818719
Cl       2.16853995       4.52742997       4.95389002       0.24447909      -0.04750015       0.19155628
K        9.49309003      11.78959994       8.45083005       1.65323316      -0.13779751       0.83833725
K        1.56812995       2.11238995       1.12447003       0.59077736       0.05774018       0.00946973
K        8.87937995       0.45198702       2.78444999      -0.17089381      -0.06091398       0.55778258
K       11.28620006       2.27098003       9.27413995       0.63044886      -0.31934871      -0.19600030
K       11.83839993       8.50063996       2.82557997       1.25441239       1.24348403      -0.32918873
K       11.32169997      12.87770003       4.80082002       0.86105171       0.24234982      -0.00833529
K       12.06270003       6.87011006       7.55747995       0.10855106       0.41055793       0.19235623
K        0.61158000      10.94169993       8.33973995       1.51257157      -0.44283041       0.07314348
K        6.91418999       7.80649999       8.79087996       0.24056865       0.84267722       1.11825728
K       12.36620001      13.08949994       0.21021694       0.32244816       0.71381756      -0.88132532
K        7.79472002       1.11744996       8.92915002       1.24209874       0.76494134      -0.42038918
K        3.04683006       7.35571002       5.75599994      -0.19129603       0.24555554      -0.76827152
K        2.98644001       5.10869994       8.24700005       0.01790869      -0.24180451      -0.48007974
K        0.36484595       5.72737995      11.78889997       0.38604664      -0.16993254      -0.07065883
K        3.05854994       1.48463006       9.01210994      -0.27560377       0.02420948       0.34309978
K        5.02831994      11.12350003      12.12110001       0.50754070       0.62747958      -0.34597525
K        9.66577994       3.25393995      12.32550002       1.03118136       0.11378937       0.47520839
K        4.72927997      11.51430003       7.54917998       1.02749727       0.63140760      -1.23080439
K        6.29243999       2.70706998      12.99039997      -0.73664454      -0.70418143      -0.45893760
K       10.13359997      10.11270002      12.71339996      -0.09949278      -0.01739441       0.02947438
K        5.19856995       6.38978004      11.99260001      -1.62570105      -1.14444042       0.21653619
K        1.68243999       0.91500997       4.80526997       0.35969133       0.02754921      -0.35742772
K        1.90650994      10.24400003      12.14609999      -0.71457262       0.64075234      -1.19569554
K       10.84200005       4.65032003       3.12803998      -0.49622035      -0.31813879      -0.10164421
K        5.34695998       3.46814005       4.51008995      -0.03403471       0.24530463       0.45222683
K        7.88923995      10.27579999       3.63891997       0.19786969      -0.58416192       0.59410071
K        4.23704002      10.00959994       2.68770999      -0.27494868       0.08571928       0.26983372
Li       8.50759995       6.66648995       0.22929795      -1.28848517      -1.62298633      -0.24222172
Li       6.18704003       7.14205994       4.70913001       0.33221700       0.13439474       0.23670386
Li      12.92810006       3.29896005       6.21885997      -2.59296566       0.64514658      -3.96745557
60
Lattice="13.23443393 0.0 0.0 0.0 13.23443393 0.0 0.0 0.0 13.23443393" Properties=species:S:1:pos:R:3:forces:R:3 energy=-576.49402526 stress="-0.0049828230835210555 -0.001958572107008491 0.0006220960829539026 -0.001958572107008491 -0.0073058816225612475 -0.001007443142688005 0.0006220960829539026 -0.001007443142688005 -0.008994418994083478" free_energy=-576.49402526 pbc="T T T" config_type=melt 
Cl       6.97447998      11.66589994       8.07741004       0.06947855       0.12859734      -0.79944089
Cl       3.86506998       9.44220998      10.76810003      -0.23330438       0.47517632      -0.20998683
Cl       8.76773995      10.33009995       4.29308997       1.78243147      -2.09676119       3.85599415
Cl       4.78692003      13.02950004      12.49989995      -0.66566326      -0.33905035      -0.01334410
Cl       6.73690005       2.09755998       7.36968003      -0.81140364      -0.01137520      -0.25940654
Cl      10.42280001       6.56712000       8.09286998       0.37300409       0.40686174      -1.28443813
Cl       1.36118006       6.41053005       9.27593004      -0.05495406       1.02307237       0.61479129
Cl       3.38364005       3.69253001       3.38807993       3.01130362       3.43751865       2.20274277
Cl       5.25606999      10.81649994       3.92733997      -0.65520902       1.24134008       0.48517541
Cl      12.74119994       4.36916996       4.76724996       0.24990344      -0.04990798       0.11231632
Cl      10.23809999      11.54909997       0.73638799      -0.02811172      -0.37420043      -0.28907081
Cl       2.16475001       3.06810997       8.82948004      -0.16046500      -0.46637952       0.35296424
Cl       7.15927000       9.05005002       1.33087995      -1.74562075       0.30671070      -0.91727041
Cl      13.02149996       8.07686002       4.28407004       1.69481000       1.10211965       0.28787513
Cl       8.56945002       5.22092000       4.70044994      -0.93229455      -0.20688249       1.16318013
Cl       6.88326998       1.89105000       2.89485998       0.77989225       0.10022658      -1.10763351
Cl       5.53708996       6.50308996       7.49386005      -0.00396816       0.11206325      -0.16353472
Cl       4.99321005       4.96529003      12.23639999      -0.29813572       0.38471412       1.04210448
Cl       9.11533005       9.10775996      10.54229994       0.04460276      -0.61349697       0.10686601
Cl      13.07129994       8.47890995       0.04988693      -0.33518936      -0.03069006      -0.68065359
Cl      12.15209995      11.44129995       8.15624002      -0.56014386      -0.51687975       0.36596112
Cl       2.03650000      11.91389999       7.44876001       1.13300748      -0.76873928      -0.05799315
Cl      12.79070004       1.53220997       0.61609797      -0.21547679       0.23572372       0.79423312
Cl      12.00009997       0.09455156       3.85300997      -0.25092220       0.25133299       0.02712480
Cl       8.98237997       5.61312999       1.60930002       0.64692872       0.03409730      -0.66494899
Cl       2.17065997      12.20890003       1.85690000      -0.56766146       0.47435163       0.08431690
Cl       8.28686997       0.89453299      11.04269997      -1.35696297       2.02701262      -0.34722930
Cl       7.98238006       5.42682000       9.86913998      -0.46443206      -0.83372312      -0.02256798
Cl      10.85970004       2.15495997       8.61184004       0.31048411       0.06847550      -0.08807420
Cl       3.94621995       7.97357003       2.25785994      -1.13678812      -0.74683821      -0.47815114
K        0.35525204       8.70519997       7.41819998      -0.41158707       0.14684116      -0.58749994
K        9.50467003       8.42798001       0.64481802       1.83447133      -0.32119591      -0.60480857
K        5.12910995      12.07540006       9.93404006      -0.62906376       0.31495818       0.39696297
K        4.07892003      10.49079999       0.83736103       0.63914780       0.01469324      -0.12919293
K        0.85261901       6.67797003       1.77325997       0.62193956      -0.46240629       1.36474424
K       11.16309997       6.60717997      10.70469994      -0.59016704       0.05909361       0.57424862
K        0.39131998       9.53864004      10.76619996       0.04469312       0.70062338      -0.50126451
K        9.29793004       0.18076199       6.06191997       0.63636050       0.09497051       0.09229885
K       12.80679999       4.61167005       8.08940004      -0.69715131      -0.49413811      -0.87655471
K        4.86819004       3.28533997      10.19809997       0.17764622      -0.43475147      -0.60567557
K        9.33024998      11.80279997      11.24360000       0.67352389      -0.86724475      -0.13407142
K       11.03839997       3.05090004       2.84297001      -0.38198883      -0.21671477      -0.00293396
K        6.18040997       1.91221993       0.02693181       0.89302990       0.60401777       0.14636028
K        6.07961997       7.57843006      11.22140003       1.18499865      -0.24601756      -0.10201928
K        2.04949000      10.49640001       4.16977998      -0.06095931      -0.04494739      -0.02111036
K        4.52566000       9.47188000       7.75056002       0.16628620       0.00423022      -0.34170279
K        6.26242998       8.32463006       3.79239004       0.59324312      -0.95244532       0.88708828
K        0.79400105       1.14315996       6.85752001      -0.83062006      -0.05069215      -0.22768541
K        4.27761997       3.63069000       6.99808002      -0.05949692       0.94790579      -0.85569329
K        6.22201996       4.67109994       2.18421998      -0.06215871       0.46981822       0.23900149
K        2.09675003       2.02688995       2.45210001      -3.00253564      -3.86946464      -1.97227105
K        0.02916406       1.87970002      11.28490004      -0.02507938      -0.01696351      -1.46423929
K        5.97614998       1.00480997       5.13970994      -1.27374246      -1.57175393      -0.38867467
K        2.81105001       7.10809006      11.84559999      -0.23815539      -0.63051210       0.42429352
K       10.79499994       6.77730994       4.09942004      -1.05917021      -0.54389067       0.00493469
K        9.19925000      10.26819999       7.37980000       0.94548517      -0.91864376       0.04313033
K        7.92167000      11.49690005       2.45973998      -1.72788273       2.64322494      -2.98168085
Li      11.88299997      12.75860005       1.29226002       0.63060961       0.35480306       0.94003615
Li       8.19776994       5.97889004       6.96602000       0.05936620      -0.24095972       0.29945871
Li       7.79031004       2.67038995       8.89578998       2.32981812       0.77309192       2.27261888
60
Lattice="13.23443393 0.0 0.0 0.0 13.23443393 0.0 0.0 0.0 13.23443393" Properties=species:S:1:pos:R:3:forces:R:3 energy=-577.4106012 stress="-0.005600199037681527 -0.0005706255091548519 0.00026152058678198883 -0.0005706255091548519 -0.015002520713351807 -0.00024131410044352585 0.00026152058678198883 -0.00024131410044352585 -0.0038800664167075085" free_energy=-577.4106012 pbc="T T T" config_type=melt 
Cl       5.78059997       7.66037000       6.61759997       0.03292673      -0.10116483      -0.30621624
Cl       1.10565000       4.80237997       4.96932004       0.37525118       0.13466147      -0.07186162
Cl      10.55779997      11.35989997       7.81697994      -1.34613892      -1.14926102      -1.54984237
Cl       0.25265805      12.12459999       9.80221001      -0.98896345       1.94168427      -0.85955728
Cl      10.92750005       3.58917994      12.81750003      -0.01622910       0.33660925       0.72302108
Cl       3.81047000      10.56909993       3.62890997       0.25145080       0.41291038      -0.59576661
Cl       5.40012998      11.12470000      11.88139993       0.37559013      -0.19711629      -0.08489307
Cl       8.15861005       8.94472999      10.62040004       1.46496583      -0.95542078      -0.01435268
Cl       3.34262998       1.70015997       5.30729003       0.27441491       0.10954677      -0.12838729
Cl       2.96949994       7.69052003      11.47060006       0.10224331      -0.34028179      -0.11204086
Cl      10.78080005       5.29410999       4.81356995      -0.84668940      -1.21458140      -0.24349369
Cl      11.90629999      11.14620000       1.24824997      -1.08059035      -1.65381179      -1.66656433
Cl      11.83200002       1.68365994       8.27883005      -0.11980794       0.75240026      -0.41730959
Cl      12.76749994       7.71518994       9.40481000       0.60689460       0.32762595      -0.47259602
Cl       5.21888997       6.04619998       1.53420996       0.88549138      -1.10227158       0.11254954
Cl       9.39733003       8.67659004       4.28853997      -0.31234033      -0.10317506       0.17521736
Cl      12.74959997       0.31650797       2.52370994       0.25587006       0.85156227       0.00703153
Cl       2.20541002      12.22540006      12.16449996       0.16127163       0.59404635       1.54353823
Cl       7.17436003       4.39451999       4.86029994      -0.94854455       0.56934537       0.06501917
Cl       8.75410002       4.32091999       9.64359995      -0.50599037       1.58366476      -0.60468817
Cl       6.48390995       1.91840994      11.94119999       0.15911844       0.41260996       0.22730532
Cl       6.63069002       0.15993906       7.37107997      -0.19909616       1.25237649       0.07422589
Cl       4.27699994      10.79709998       7.34520996      -0.46440397       0.29465325       0.01919554
Cl       7.65312997       1.84241002       2.72767004      -0.67604537      -1.37770377       0.56629890
Cl       9.89665001      13.01830001      11.01880004       0.45052290      -3.99461443       0.82977894
Cl       1.12729995       7.82658999       2.82577001      -0.17614991       0.08782712      -0.50539083
Cl       2.31696002       3.97872994      12.97740005       0.23860859      -0.00110082      -0.16102972
Cl      13.15310000      10.91589993       5.16246999      -0.11565109      -0.66520121       0.00670460
Cl       7.27865002      11.53300002       2.04272998      -0.03833715       0.45827125       0.54210594
Cl       3.62096997       3.44791996       8.09210000       0.18777723       0.03551820       0.71746986
K       12.65010006      13.19759999      12.61260002       0.24936819       0.44261924      -0.35230323
K        4.56009004       0.08039733       0.48965897       0.27698465      -0.25369862      -0.54775510
K       11.09379997       6.08857994      10.67200004      -0.91287257      -0.78869327       0.31757801
K        2.11218998      12.48909999       5.50664997       0.28697568      -0.62455344       0.15960616
K        1.99200001       5.22247994       9.73426006      -0.34995781       0.41825651       0.59025591
K        8.78525004      10.20469998       0.19773594       0.26122445      -0.17694067      -0.67413903
K       11.56859998      10.42499997      10.18669996      -0.98538037      -1.52815935       0.83270856
K       12.96450005       2.20309995       4.41514996       0.25784916       0.92990302       1.01632108
K        7.73339999      10.99140000       6.97503000       0.12184106      -1.09653528       0.10988926
K        6.45594004       2.76487997       8.79729999       0.13974381      -0.20369696       0.09473261
K        3.29022996       7.93592997       1.27966997       0.26062323       0.74190996      -1.09273898
K        9.28405995       2.60449001       5.07800995       0.51921670       0.02536828       0.74124319
K        2.22595000       8.99968003       5.32699002       0.20405699      -0.02484968       0.56852507
K        5.49435002       4.96623999      11.96239996      -0.37928233      -0.00512391      -0.01931779
K        8.18184005       4.25770003       2.04249997       0.47027260       1.81981859      -0.52095986
K       13.10870006       5.08885993       0.86519000       0.40191980       0.12982275       0.38797736
K        6.40095996      13.01100003       4.51443005      -0.60941646      -0.29179942      -0.25010066
K        9.72479003       2.14061000      10.76489994      -0.01145067       2.48728931      -0.84688335
K        3.76541998       5.46268002       6.10083000       0.25866045       0.13787387      -0.24036326
K        1.46456004      11.25450002       1.67690998       0.11395132      -0.25077659       0.28769381
K       10.72949995      11.17929998       3.67956000      -0.27354942       0.23783161       0.59837243
K        4.64431001       3.24667001       3.26665996       0.11100264       0.43101312      -0.32198760
K        2.30811995      10.65940006       9.92703005       2.01324874      -1.75812511      -0.25141802
K        6.61613995       7.61130996       3.46383000       0.26930502       0.47892799       0.79219891
K        8.70114997       7.29958994       7.12133998       0.13065510      -0.37747824      -0.14609453
K       12.51950002       7.33007003       4.68104998      -0.53158798       0.46015072       0.80689148
K        9.06577994       0.84133401       0.54065998       0.04183309      -0.46483096      -0.43876714
Li       3.49045000       1.32027004       7.60900994       0.24543660      -0.17067570      -0.21685657
Li      11.56099998      12.84130004       8.69297003       0.82205755       1.15093209       0.66050579
Li       6.54335003      10.09600002      10.30709996      -1.39014888       0.82461154       0.13971395
60
Lattice="13.23443393 0.0 0.0 0.0 13.23443393 0.0 0.0 0.0 13.23443393" Properties=species:S:1:pos:R:3:forces:R:3 energy=-575.85081244 stress="-0.006133264848848805 0.003393335147585247 -0.0023233420096601624 0.003393335147585247 -0.01585212225061573 -0.004714050499768721 -0.0023233420096601624 -0.004714050499768721 -0.008217914229347367" free_energy=-575.85081244 pbc="T T T" config_type=melt 
Cl       9.25388994       8.22707005       0.94212706      -1.20611154       1.12343126       1.49289937
Cl       3.76929000       2.67966993       7.77086998      -0.01744912       0.63426966       0.84712571
Cl       6.37024006       4.89139000       9.41904999       1.12205766      -1.66860292      -0.63464282
Cl       2.57608998       9.10281001      10.47409999      -0.30617250      -0.05407379       0.11544179
Cl      11.15160004       3.65449002       7.06948998      -0.03248524      -1.28697480      -0.11257137
Cl       6.42898996      10.67519999       6.83753006      -0.12981691      -0.45505295      -0.16217680
Cl       6.04808999       2.80175004       0.55177796      -0.04215073      -0.51656714      -0.42165746
Cl      12.52899996      13.04370006       8.19965995      -1.20347740      -1.00313544       0.02859830
Cl       6.77837002      12.48180001      12.15630003       0.15979517       0.33196158      -0.50089401
Cl       9.79573996       4.79648998       0.50336997      -0.59929559      -0.35957424      -0.34525418
Cl       4.92828999       6.24861006       5.85102000       1.28255698       1.00798095       1.86173757
Cl      12.63430000      12.34420001       2.80577000      -0.76620449      -0.75162661       1.39291243
Cl       5.82539999       7.45445002      11.37229998      -0.73060968       2.69781218       0.33799062
Cl       1.09410005       7.10672996       7.29706997      -0.03532325       0.10533683      -0.18135735
Cl       1.02104002       9.57140003       3.76127999       0.75749566      -0.84424941      -0.11055055
Cl       8.25168994       0.33143906       7.22733999      -0.22223167      -0.03626941      -0.24807770
Cl       5.30465995       5.70774997       2.19406004      -0.39661754       0.65853838      -0.69524948
Cl       6.49762996       0.54244001       3.92614993      -0.82117654      -0.48445863      -0.70764704
Cl      10.26520001       1.99366993       2.58304004       0.14958970       0.09037438      -0.24495510
Cl      10.82059997       6.98009998      11.18919999       0.49331812       0.16146342      -1.84091667
Cl       8.78793001       5.44842998       4.24203006      -0.67436359       0.73244449       1.96844963
Cl       1.94077005       0.40781895       2.38724003       1.06813584       0.10466963      -0.31155787
Cl      12.54330003       5.92303994       1.77552001       0.03579760       1.57402205       0.10292611
Cl      11.35099995       1.94261996      10.95880001      -0.57151472      -0.25197426       0.38087086
Cl       1.59481003       3.30829006       4.62034006       0.85681269       0.81447425       0.03493403
Cl      10.98610000      10.61250001      11.84060002       0.03543547      -0.01749195      -0.37513693
Cl       2.28950003       3.01652995      12.32330006       0.01850075       0.29575755      -0.07446698
Cl       5.37959993      10.40579999       3.04610004      -0.29542737       0.77283136       0.05299478
Cl       2.84520994      11.58940001       6.78677997      -0.93652874       0.32373417      -1.32171244
Cl      10.44949995       9.17775000       7.16519995       1.02002134       0.62207038       0.35850869
K        3.49476006       2.63535007       1.81930005      -0.11740380       0.70107077       0.04604175
K        2.98196002       7.31804999      12.80330001       0.40826473      -0.12934346       0.09966074
K        8.65791003       7.58798996       6.13187004      -1.49278683      -0.14289750      -0.02317018
K        1.11744996       6.75860003       3.68068003       0.25106257      -0.50980946       0.66666547
K        8.43442002       2.11937998       4.74644000       1.04128589       0.66044164       0.49570412
K       11.41990000      12.43656392       0.56336603      -1.04924228       1.34814486      -0.91324596
K        4.14048000      11.10980001       8.94678993       1.12734270      -0.50408541       1.37107583
K       13.13149994      11.28549996       5.53087997      -0.38446708       0.13527969       0.70513035
K        6.93372997       8.24208002       3.21965006       0.46650376      -1.16666800      -0.47912447
K        0.34560705      10.26250005       1.14966998       0.12860349      -0.24055362      -0.29294777
K        6.78675999       5.28431995      12.12900004       1.47726058      -1.55491639       1.68460758
K       11.35149995       6.24130994       6.97563005       0.32706258       1.50724742      -0.05541900
K        4.57019995       0.77385997       6.01384006       0.14028436      -0.92221009      -0.43293963
K        8.14054001       9.80578000      12.10709997      -0.25657626      -0.38845583      -0.26267033
K        3.60945006       8.41381003       5.83184000      -1.06597381       2.20999765      -0.11935578
K        4.99228999      12.90139999       1.17198999      -0.04598883      -0.20802487       0.55053156
K        8.39891004       2.98940995       8.04731004       0.17316313       0.66263513       0.55766173
K       12.85270005       1.48749002       4.24453005      -0.68278519      -0.01885648       0.04743222
K        4.81297995       4.27235995       4.45543002      -0.28535958      -2.48421230      -0.87668358
K        9.74734997      12.82890004       9.74527005       0.45177946      -0.05253803      -0.14794846
K        4.66040996       2.08273000      10.91389995       0.21503593       0.21067685      -0.08143505
K        4.32896997       6.49989000       9.34480998      -1.42596002       0.60118228      -1.07430234
K       13.18259995       3.51785997       1.03235003      -0.23092141      -1.40795079      -0.69529535
K        1.55923005       0.85925806       7.57055002       0.61532010       0.60460532      -0.20525070
K        8.64631005       1.96773997      12.81199993       0.61273409       0.19015564       0.20103830
K        0.55264005       4.52894994       8.42958998       0.06994764      -0.59096638       0.28636347
K       12.40220005       9.60528997       9.53363001       0.20598352      -0.30320141      -0.17389401
Li       7.06265003      11.78270004       4.94679993      -0.39900208      -0.10170329       0.13075348
Li      10.60459998       7.13725994      13.19390427       0.75558469      -1.35128455       0.54178570
Li       9.30546003       4.47803006       2.64404006       0.95668761      -1.07488035      -2.23733485
60
Lattice="13.23443393 0.0 0.0 0.0 13.23443393 0.0 0.0 0.0 13.23443393" Properties=species:S:1:pos:R:3:forces:R:3 energy=-578.95327447 stress="-0.006197423774066845 -0.00039079029856731266 -0.002289238422520864 -0.00039079029856731266 -0.003958967711582775 -0.0018495470359069168 -0.002289238422520864 -0.0018495470359069168 -0.008019983885162433" free_energy=-578.95327447 pbc="T T T" config_type=melt 
Cl      11.49150001       2.34608001       7.92406001       0.39761830       0.15674868      -0.16991687
Cl       6.55009999       1.50444995       9.72577996      -1.66177744      -0.58692541      -0.23716803
Cl       0.99404098       3.14138995      12.84649998      -0.27801545       1.16090718      -1.91096694
Cl       5.38210005      10.46840005       9.11660003       0.21445723      -0.21688365       0.11229958
Cl       1.81491005       8.18653999      12.46030001       0.77785176      -0.15766288       0.12714056
Cl      13.19959997       0.70419298       1.96443997      -0.08922465      -0.30930667      -0.06321724
Cl       2.41411996       6.86207993       4.89490004       0.05242127      -0.32751127      -0.04941231
Cl       8.66942002       8.75155993      12.31870004      -0.02586386       0.15861931       1.75681478
Cl       8.76766994       5.83035999       3.22957006      -0.40312994      -0.61908492      -2.06272634
Cl       5.99076001       6.72154996       6.44739006      -0.36797752      -0.10329560       0.23240382
Cl      10.42910000       8.45412000       4.63574997      -0.99039464      -0.90519163       1.40739378
Cl      13.04629997       8.43715001       7.65842997       0.10445495       0.72896844       0.27667616
Cl       6.94798994       2.55799996       0.49798104       0.17210251      -0.23721736       0.21377592
Cl      12.10370004       3.34790999       4.06839998       0.01701005       0.28235801      -0.09292746
Cl       3.13151005      12.79489998       0.33419394       2.85354862       0.45035092       1.54293256
Cl       7.85256998      12.99929999       4.03592003       0.14622888      -0.01697777      -0.34041805
Cl       2.15552005       5.04783994       8.69463003      -0.32133063      -0.34735709      -2.93342130
Cl       9.29331995      11.86069995       9.22048994      -1.68784486       0.94831118       0.75490167
Cl       3.84861005      11.45529999       5.65015001       0.53135852       0.12704335      -0.48953625
Cl       4.18324006       2.64686005       4.81657006      -0.45482733      -0.05389456       0.73857094
Cl      11.40000004       7.17905005       1.13625000       1.30734755      -0.29545051      -0.17310860
Cl       5.37191999       8.32758002       2.10480000       0.06536632      -0.12611079       0.18379028
Cl      10.22710006       5.96924002       9.87413003       0.00101292       0.10018963      -0.14874414
Cl       7.33896000       3.01825996       6.19150996       0.35713270      -0.04688889       0.06004395
Cl      12.80899995      11.14509995      10.20030006       0.02235388       0.65967120      -0.48032796
Cl       2.57669002       0.33896403       9.01078001       0.55902267       0.21221191      -0.28324851
Cl       0.43372205      11.17399998       4.75957994      -0.24824730       0.38434458      -0.37711339
Cl       5.15841006       5.84763000      10.40670006       1.69979958       0.46121807      -0.79642434
Cl       9.85463994       0.82532603      11.59819998       0.76581675       1.17613863       0.19625267
Cl      11.14179994      11.50550005       0.22735394      -0.43883632      -0.05769833       0.11893280
K       11.54590002      10.23790002       3.16204004       0.47455649       0.68307234      -1.44518359
K        3.17571994      10.19260001       2.57626996      -0.54044085      -0.00877132       0.34593893
K        8.45642001      13.04699994       0.57457599      -0.23578140      -0.17035344       0.75716187
K        8.82818995       1.18403001       8.16976006       0.64613983       0.19071777      -0.75018871
K        4.88803005      12.56360006      11.13089993      -0.15692860       0.14973686      -0.27170757
K        4.57388005       0.55685800       3.14677002       0.16948999      -0.93474877      -0.43321577
K        8.05969999       2.65900000       3.31702995      -0.00449932       0.47791610       0.13178083
K        1.31453000      11.10869996       7.43247001       0.19994912      -0.01786984       0.31756856
K        5.53970998       0.33514801       7.21939006      -0.39432938      -0.56550555      -0.31712350
K        8.68867996       6.11514000       5.77317996       0.57920411      -0.23754200       1.63535142
K        0.05378606       1.14460000       9.89754002      -0.68347173       0.01748490       0.28392929
K        5.04437000       7.65296997      12.58170000      -0.04272322       0.41945905       0.00015061
K       11.11959997       0.57758405       3.89670993       0.16484998      -0.19555333       0.43383308
K       12.90150004       5.75977996       7.72347006      -0.96385535      -0.59890809      -0.02350675
K        0.91520002      12.40709997      12.60850000      -2.90966116      -0.71737810      -0.88584195
K        6.63645004       8.86465002       4.64893001       0.11852263       0.48222941      -0.08535035
K        8.43734006       2.96649003      10.73199993       0.49591133       2.06242130       0.68015245
K        8.24222996       8.45469993       9.82299998      -0.63334697      -0.44843243      -1.37417028
K        2.85542004       4.91431006      11.01339999      -0.83040627      -0.68589357       3.41617775
K        4.71277001       5.13256004       3.78120006       0.20695441       1.21862845      -0.13670358
K       13.06479998       6.15375000       3.63063005      -0.27404984       0.43703159      -0.05532576
K       12.49220003       8.53855000      11.27289998      -0.50186964      -0.40843775       0.19404416
K       10.50530003      10.10779997       8.01011004       2.03920550      -1.96714602      -1.67509038
K        1.67690005       2.78273997       6.43646001      -0.45377432      -0.15031353       0.02924597
K       11.43870004       3.90524006       0.59952806       0.08782631       0.12171560       0.12714855
K        5.04515997       3.96068995       7.68786004       0.02302189       0.44684193       0.36625775
K        3.67408995       8.12726005       8.21196003      -0.04636494      -0.25055333      -0.21504242
Li       9.36616996       6.97565004       1.21791996      -1.06864161       0.33669240       0.12966341
Li       9.60616000      12.04530006      11.32810001       0.91405636      -1.30530659       0.23471416
Li       1.29656002       2.13281995       1.23236997       0.54302213      -0.98085781       1.47208009
60
Lattice="13.23443393 0.0 0.0 0.0 13.23443393 0.0 0.0 0.0 13.23443393" Properties=species:S:1:pos:R:3:forces:R:3 energy=-577.85154299 stress="-0.00942273282109298 0.0024953700722481547 -0.0007928043347466627 0.0024953700722481547 -0.004731191805941499 -0.0013772898638966336 -0.0007928043347466627 -0.0013772898638966336 -0.011717189001688373" free_energy=-577.85154299 pbc="T T T" config_type=melt 
Cl       2.42003999       1.57563003       7.51163005       0.00349809       0.66424838      -0.71618935
Cl       6.98953997       3.78622001       0.97302099      -1.80759654      -1.02232313      -2.28375622
Cl       9.84983002       1.45587998       2.68883994      -1.99560806       0.59319204      -1.85848264
Cl       6.42215994       1.01561999       5.97363002      -0.55994417      -0.20862865      -0.46490529
Cl      11.80120006       4.51850996       9.23782003       0.16465556      -0.21206851      -0.00501705
Cl       0.71085506       6.99906995       4.91583996       0.26437305       0.57366838       0.18667423
Cl       6.73362996       7.10081999       4.22512003       2.47600750      -0.08626188      -1.74522215
Cl       2.22616995       3.97743998       2.47677005       0.05658416      -0.38353620       0.50843208
Cl      10.91250001      12.59944698       7.73627001       1.40503267       0.17077974      -0.95054729
Cl      11.05659997       5.23617004       1.68243999      -0.37412780      -0.04476305      -0.28026778
Cl       4.23252999      12.88209995       0.56374202       0.46520666      -0.63795943       0.46341849
Cl       5.15146000       1.96893001       9.85704993       0.46525492      -0.25430125       0.10998423
Cl       2.28566006       6.71870006       8.60237994       0.67655104      -0.37386758      -0.21351500
Cl       6.25425997      10.50550001       3.27834001      -1.12600559       1.66913567       1.37154016
Cl       8.31295994       4.10809997      10.44869993       1.15187155      -0.32405225      -1.11531394
Cl       5.66808995       6.34721003      11.74020003       0.36914264       0.43389341      -0.41590030
Cl      13.22325838      10.46780000      13.02829995      -0.36238291       0.13328502      -0.28107011
Cl       0.74990498      13.13590000       2.65691002       0.18467135      -0.26279951      -0.17212472
Cl      11.50570003       8.52532006       8.69502005      -2.19093741       2.30154862       1.48048075
Cl      12.23320004       1.09981005      12.66500004      -0.13775935       0.01408685       0.12664732
Cl       7.48358999      10.62399994       0.19888403       0.97502894       0.28416817      -0.37892126
Cl       3.43387994      11.64389994      10.03389995       0.75477161      -0.86789197       0.55773420
Cl       4.88543001       4.01421000       6.44802995      -0.10848839       0.17471853      -0.12716916
Cl       2.50002004       8.68669996       1.97264002       0.21402321      -0.11292891      -1.06123238
Cl       2.04078994       4.80787993      11.82809997      -0.93961358       0.72184998       2.21261282
Cl      10.73020005       3.88447999       5.39227998      -0.03322369      -0.07755278      -0.15061401
Cl       1.80499005      11.36089997       6.61315995       0.00790080      -0.18311692      -0.11739401
Cl       8.71256997      11.80779994       9.59761003      -0.67494871       0.09208926       1.44964779
Cl      11.59050006      10.10920004       3.64496003      -0.30646188       1.04201904      -2.03909827
Cl       6.66048999       8.97358000       7.11386001      -0.26333772       0.16285502       0.49143234
K        2.96736006       3.96705995       9.69797998       0.74607052      -0.53912885      -2.18638913
K        7.93683997       4.33845006       7.33335005       0.14688353       0.15270224       0.03297889
K       11.14040000       0.09736613       4.32687999       1.38961268      -1.18054961       1.93425405
K       13.04609999       6.94211994       7.74185997       0.83612880      -2.60956333      -1.41483598
K        1.29112993      12.85210000       9.07242005      -0.95242297      -0.21300468      -0.33681995
K        8.43577006       0.57246100       7.90404994      -0.33648960       0.93243991      -0.24460050
K       12.37169997       2.67325004       2.47047006       0.70261450       0.50308526      -0.28902694
K        5.25164996       9.20558995       1.20510995      -0.36236843      -0.47516506      -0.70186925
K        1.99680001       0.81669599      12.86159994      -0.57615068       0.93063170      -0.20966919
K        4.95944001      11.52529996       6.22019996       0.12430238      -0.34567296       0.23072778
K        3.87188994       5.95907995       0.57939306      -0.73812101      -0.51867661       0.60653878
K        1.13771002       4.28223998       5.42207995       0.00683966      -0.48584642       0.27560614
K        1.67781005       9.79020003       4.26935996      -0.41560025       0.35257217       0.43349009
K       10.77670003      11.89889996       0.40462005      -0.20274796       0.28756726       0.09874804
K       12.71282188       8.30429999      11.38469998       0.21457240      -0.92798138      -0.33219553
K        8.80265001       9.18012994       9.87602996      -0.27772755      -1.06433839      -0.22862857
K        4.56587004       6.89160000       5.36517996      -2.16385806      -0.16184571       1.45180332
K        4.08868003       8.25471996       9.85008002       0.66464973       0.57642581       0.19034806
K        9.51006001       3.63317000      13.07759993       1.01505722      -0.31614420      -0.36394851
K        6.74495996       0.25421707       2.04852997       0.23273623      -0.16029561      -0.01323416
K        7.98554004       4.60259997       3.06542999       1.47859043       0.79173307       2.54287511
K       11.71069995       1.47835006       9.87600005      -0.27991965       0.62685789      -0.44039483
K        8.62574996       9.47682994       3.27165000       0.58858247      -0.72286799       0.04784225
K       11.59480006      10.04629996       6.16709997       0.22523761       0.25191059       2.58494443
K        6.09253995      12.17309996      11.14059998      -0.10113545       0.38294026       0.05607149
K       11.77899995       7.42601001       3.20129006       0.17141101      -0.82737381      -0.23502776
K        3.66127994       1.62438000       4.12097999      -0.25140154       0.22051203       0.05411810
Li       4.66051001       1.91899993       7.60554001       0.22591385       0.25931291       0.02511965
Li       1.62013995      11.20570003       0.87426498       0.68995836       0.06425109       0.95248422
Li       6.76393006       4.28648995      11.68580003      -1.55535622       0.23602639       0.89682638
60
Lattice="13.23443393 0.0 0.0 0.0 13.23443393 0.0 0.0 0.0 13.23443393" Properties=species:S:1:pos:R:3:forces:R:3 energy=-575.60996647 stress="-0.003768845813631286 -0.0019932037195783303 0.0004832841210810908 -0.0019932037195783303 -0.01068855581692932 -0.000555273974448448 0.0004832841210810908 -0.000555273974448448 -0.01505686055258659" free_energy=-575.60996647 pbc="T T T" config_type=melt 
Cl       3.15913998       2.97507997       3.20663995       3.16626884       1.42997754       7.26462742
Cl       1.48483004       3.54952997      13.03880001       0.18052506      -0.09650227       0.62643394
Cl      10.25820005      13.20409995       1.44194001       0.03549088      -0.83039324      -0.61264984
Cl       4.30236995      11.52989998       4.75079003       1.28160432       0.30807609      -1.08113714
Cl       0.58000502       3.27839996       9.63961996       0.25229256       2.50093320      -0.26831467
Cl       4.22621994       9.45043002       8.87041997       0.52442430      -0.02977410       0.38746174
Cl       7.99810005       2.68187995       1.73869996      -1.36215768      -0.09661603       1.04026292
Cl       9.63908000      11.06639993       5.43154006      -0.77767384      -0.03530881      -0.25221945
Cl      10.47390002      11.22210000       9.68753999       0.03504837       1.94503089      -1.74294053
Cl      10.83620006       5.32806995       0.69662302       1.26456729       0.31693916      -0.58929911
Cl       5.36638998       1.60241004      11.39729995       0.44965696      -0.46427368       0.10942484
Cl       7.25724001       5.19237002       7.70622004      -0.89245348      -1.20384650      -1.14473571
Cl       1.93237995      12.20910000       9.53753999       0.16882760       0.28372298      -0.27783544
Cl       7.33735003       7.93467998       3.44368004      -1.08668418       0.42087875      -0.04725603
Cl       9.03024998       2.28770001      10.16969993       0.26486550       1.60715758      -1.08693979
Cl       2.68831996       6.80986996       6.32412997       0.12301750       0.97238602      -0.50741596
Cl      11.10799999       8.47303995       2.79267996       0.53796030       0.61569393      -0.14923575
Cl       0.24624702       9.43685004       6.51534001       0.08578911       0.43187354      -0.03194519
Cl      11.57250004       5.66191000       5.08597006      -0.65228507      -0.23022717       0.28275625
Cl       2.83476996      11.00679998       1.26360006       0.75360780      -0.04777107      -0.14086167
Cl       2.65007999       6.30458999       2.76432995       1.61836852       0.93628729      -1.14196639
Cl       5.02586006       1.36807004       7.65205004      -0.19385735      -0.18651146      -0.24732518
Cl       5.42089005       5.06644001      10.94590001       0.96088059      -0.63082737       0.58893319
Cl       3.00721000       7.76981996      12.37419996       0.66582308       0.63353097       0.02998915
Cl       0.95637697      13.02829995       4.22000995      -0.32522949      -0.11240161       0.14826399
Cl       8.88638004       6.90551005       9.43134994       0.82569593       0.85629896       0.98050055
Cl       0.15996606       2.20232005       6.81546005       0.08145302      -0.28981492      -0.84308781
Cl       8.13909005       1.59711997       5.45993004       0.82983992       1.97990987      -1.01278733
Cl      12.87060002       9.02646996      11.71369993      -0.42040243      -0.98088707       1.47436466
Cl       7.42174006      10.76460005      11.92289994      -0.61230326      -0.59589750       1.05126383
K        0.77451401       9.66571006       9.49625002       0.67241559       0.03129283      -1.25350825
K       10.71609995       8.52802002       6.25739997       0.05236623      -0.58963634      -0.32376066
K       11.87389998      12.28189997       6.51644006       0.79821080       0.42020701       0.14675588
K        0.95841706       5.01444999       4.13143996      -1.19512417      -0.96394950       1.17577898
K        0.18756607       0.93340504      10.48350001      -0.45202236      -1.27135465       0.75574213
K        7.36315995      12.72650006       6.52215006      -0.77411670      -1.72567239       0.72617392
K       12.45089999       5.47956001      10.90739999      -0.10866490       0.09050819       0.37035265
K        2.87817003      11.09129999       6.84173000      -1.10161918      -0.31615384       1.36654976
K        0.12555402      11.27059997       2.26099001      -0.71220351      -0.25307225      -0.43193929
K        2.94244002       1.18499996       5.58037000      -0.25942224      -0.02839360       0.30398742
K        5.80138995       3.68073006       0.32708903      -0.82941587       0.17257341      -0.41744739
K        7.46298001       9.76752005       9.36211003      -0.22373703      -0.65269932      -0.93422085
K        2.54156994       8.92940002       3.83236001       0.02010879       0.33980990       0.40327644
K        8.95422994      10.38310002       2.34606996       0.23714363       0.22419153       0.30666172
K        4.33210005      11.88610001      11.12359995      -0.12440380      -0.00113652       0.06764091
K       10.14490006       9.29520004      11.22179998      -0.46731720      -1.87740342       1.60346058
K        3.49273996       6.57099994      10.03369998      -0.69781650       0.68583688      -1.14980490
K        5.32301002       8.84525999       0.49236700      -0.17484065       0.04300266       0.20146576
K        9.38641004       3.39194995      12.89290004       0.28457305      -0.55212975      -1.62346360
K        8.36551004       0.03646603      11.24679996      -0.05294858      -0.71315912       0.71719638
K       10.50550001       2.30267994       2.83854005       0.58515072       0.29875442       1.02553607
K       10.90830006       3.63559005       7.55576993      -0.11903556       0.04035155      -0.22762363
K        6.02457994       5.46227002       5.07919006      -0.06160998       0.27996951      -0.17375521
K        9.34077003       6.27557998       2.73254004       0.44191554      -0.46519715       0.66280634
K        3.04271997       4.50128998       7.37493000      -0.13559618      -1.90168907       0.89566939
K        0.94534197       6.78401001       0.51121098      -1.01107885      -0.29218835       0.36357146
K        5.28129006       0.07252695       2.73891997       0.00037097       0.08808362      -0.18332796
Li       6.43622999       2.48901005       8.79123994       0.39472505       0.40578561       0.52814018
Li       2.62890000       2.60085994       1.67244005      -3.31475980      -1.39936698      -7.86136236
Li       7.24584000       5.24591005       9.81313001       0.54579200       0.47519118       0.15311863
60
Lattice="13.23443393 0.0 0.0 0.0 13.23443393 0.0 0.0 0.0 13.23443393" Properties=species:S:1:pos:R:3:forces:R:3 energy=-579.17980927 stress="-0.010452788146189381 -0.0030072700022262117 0.0032039938939046587 -0.0030072700022262117 -0.006052193693325924 0.0001354915788819879 0.0032039938939046587 0.0001354915788819879 -0.010716819273911602" free_energy=-579.17980927 pbc="T T T" config_type=melt 
Cl      11.06169999       2.83920998       4.71482995      -0.00917937      -0.05262787      -0.73250531
Cl       4.89114001       2.54257999       5.09707997       0.25334336       1.33394033       0.60469959
Cl       5.74990006       9.40095005       0.31835696       0.23271076       0.21025311      -0.51043838
Cl       4.22703002      11.67040004       9.88196997       1.07200504      -0.13763675      -0.39082576
Cl       0.21475304       1.16608994       7.20505995      -0.60073956       0.28644396       0.94488387
Cl       2.68467004       6.34116997       2.38478001       0.09639488      -0.18106659      -0.05190317
Cl       0.02938375       7.69644998       7.02272002       0.08438680      -0.39395614      -0.26699682
Cl      13.02199996      10.48100003      10.45020006       0.07533856       0.04223409       0.36455353
Cl       2.76776997       3.10816001       9.65879996       0.03819361      -0.07931133       1.10409989
Cl       8.80614006      12.26910003       6.64646003       0.76454316       0.86992292      -0.35356738
Cl       7.51067003       4.49616005       1.88236001      -0.32422051       0.04729520       0.06001007
Cl       3.98412999       1.46128002       0.21108406       0.72628135       0.27790053      -0.87585775
Cl       5.18628006       9.37315999       5.97311996       0.22627568      -0.01071613      -0.00646335
Cl       4.02780005       5.13986002       6.93963001      -1.58725461      -0.50312087       0.92181433
Cl      12.05610002       3.81910004       8.72798001       5.70054035       2.03621767       4.51244353
Cl       0.28621899       0.66671002      11.56030001      -0.41108129       1.06761992       0.15939511
Cl       2.11598998      11.17960000       1.24610996       0.05691090       0.72020201      -0.31210854
Cl       8.74170994       9.13032003       8.87034004      -0.18251230      -0.71975418       0.40152444
Cl       9.59399994      12.39969993       2.20020002       0.79317860       0.19072080      -0.71692159
Cl      10.83979995       3.30640998       0.33321499       1.03183397       0.38629768      -1.53648743
Cl       6.63413997       0.23933097       2.67466004      -0.46136797      -0.03616299      -0.03805492
Cl      12.01019996       8.48844006       1.28059003      -0.51154458      -0.03023336       0.44677628
Cl       6.19004994       6.03570997       9.91085002       0.79430030      -1.29015430      -0.14934880
Cl       1.63572005       1.55324002       2.96415997      -0.11030337       0.37581049      -0.27533205
Cl       8.29416995       2.29503996       8.80042993      -0.45769168      -0.75134694       0.58583425
Cl       8.36387995       5.50011997       6.46704002       0.83901656      -0.39516880       1.13198689
Cl       2.07364006      11.94360005       5.15456996      -1.31047407      -1.56267778       0.86357240
Cl       2.00989998       6.48998998      11.51979999       0.38148269       0.13938359      -0.30148232
Cl       9.33743998       8.30763004       3.44509996      -0.27369587      -0.30959445       0.11899638
Cl       8.86005000      12.80260004      11.46989996      -0.45041334      -0.58790312       0.75320772
K        1.80974002       9.25672000       3.23070002      -0.18267923      -0.27629654       0.72429969
K       11.02430001       5.78548997       1.98925996      -0.48870335       0.24264912       0.25157597
K        0.36904298       4.18922004       5.54117993       0.05445998       0.13030460       0.05132388
K        2.93801006      10.13529994       7.81579003      -0.77119915      -0.20435242      -0.55480806
K       10.38230000       3.20959004       7.44240999      -4.61331678      -1.48403513      -4.46471151
K        3.97447997       0.21048004       4.44536999       0.97286145      -0.70664182      -1.49472770
K        5.94918999       6.18650006       5.56666006       0.05015777       0.96327523      -1.00723951
K        5.31726999       8.30299004      10.69819998      -0.67155475       1.55107832       0.64885778
K        8.54097005      11.01559995       4.11271998      -0.91695979      -0.98590496       0.72862312
K       10.14130003       7.83522996       6.59211998       0.50338852       0.34193166      -0.33627886
K        9.72615000       9.90815999      13.17190004      -0.03087592      -0.20505209       0.12918757
K       10.44169998      12.96420002       9.22877006       0.79160190      -0.23718206      -0.73870520
K        8.21749997       2.29694996      11.71299996       0.03701806       0.81431876       0.35658695
K       11.12960004      13.19882510       0.16369499       1.17901348       0.42737921      -0.91021187
K       12.78449997       0.19459396       4.79227998      -0.35152705      -0.38344228      -0.81183443
K        4.06639999       3.43838005       2.34811997       0.37028834       0.21307732       0.28884444
K        1.68991996       4.06204004      12.83179997      -0.02014179      -0.42791396       0.15575128
K        0.88427101       8.68576005      12.91390004       0.60495382       0.41324967      -0.76936748
K        5.78049000       3.47221997       8.81380994      -0.82939331       0.10625367      -0.37511966
K        6.26644001      12.27950004       0.02026284      -0.23557809       0.07618807       0.00678584
K        1.40058995       5.49289000       8.80934994      -0.08865809       0.82585067      -0.23708192
K        2.24618995      11.97920002      11.71610000      -0.30243960      -0.39101662      -0.12619865
K        2.79979002       1.86628996       7.24801005       0.89298850      -0.23118991      -0.68169674
K        9.45307995       2.13606000       2.11848004      -1.28723441      -0.40806106       1.63434427
K        7.46173994       1.46943005       5.04310003       0.86061347       0.21345347       0.49914611
K        6.90144999      11.21799998       8.18771998      -0.91893285      -0.39211344       0.42768218
K        5.60884005       7.40306005       2.24641004       0.27536843      -0.34946919       0.16410597
Li       0.67750296       2.31134995       9.96445994      -0.53104733      -0.30928316      -0.39400279
Li       8.09347995       6.27916003       8.86916005       0.13463756       0.42124815      -0.53235359
Li       2.30133003       0.52511005       0.93007300      -0.96336782      -0.69111401       0.91171823
60
Lattice="13.23443393 0.0 0.0 0.0 13.23443393 0.0 0.0 0.0 13.23443393" Properties=species:S:1:pos:R:3:forces:R:3 energy=-578.95867626 stress="-0.005557744479852543 -0.001860393742677187 -0.00043550554972621907 -0.001860393742677187 -0.007188569693551729 0.0022122203220205673 -0.00043550554972621907 0.0022122203220205673 -0.005774274689753355" free_energy=-578.95867626 pbc="T T T" config_type=melt 
Cl       8.59589004       9.40773997       7.69289998      -1.25592019      -1.03829464      -0.23518386
Cl       1.57902996      11.99549994       2.50291997      -0.75297854      -0.83673218       0.11913261
Cl       4.47775002       8.36685995       8.45831995       0.42637241      -0.82911721       1.22124022
Cl       0.19716607       3.59821998       0.43545404      -0.21777291       0.11960659       0.15243552
Cl       8.72371998       0.78535301       8.90394994      -0.09390798      -0.50765458       0.60361172
Cl       2.23770998       5.58807006       4.67808997       0.94802642       0.80292438      -0.00396543
Cl      11.15480000       2.02836003       4.70800998      -0.26825639      -0.04977485       0.19488937
Cl       7.77093999       4.43905995       5.70489994      -0.83041187       0.16760886      -0.63116917
Cl       2.49991006      11.86479998       9.56037998       1.05698940       1.25961062      -0.39034016
Cl      12.32020003       6.48344000       2.75690000       0.10617788      -0.21039597      -0.20316987
Cl      12.42779995      11.29170002      12.26300001      -0.92143393      -0.13088549       0.13256431
Cl       2.93380998       9.68263994       6.22806995      -0.44784233       0.97325480      -0.83334574
Cl       9.21598004       5.59271998      10.34690001       0.27358174      -0.15561164      -0.34706092
Cl       1.85129998       3.07288005       8.00354999       0.29699807       0.13749538      -0.39846738
Cl       4.64409997       5.98189002       1.24942995       1.44218333       0.11919833      -0.26927417
Cl       5.59858005       7.10395999       5.29733006      -0.14951959       0.32962004      -0.72570554
Cl       0.69335702       1.78221994      10.82569999      -0.01006387      -0.82847881      -0.18930476
Cl       5.60194001       1.33799995      11.14350004       0.84669555       1.25635941      -0.75512460
Cl       9.42163004       9.24917002       2.82662999      -0.79882920      -1.10418992      -0.49810594
Cl       9.69137004      11.73460002       4.52091003       0.16762431       0.69556746      -0.95327627
Cl       3.67042004       1.72181997       1.80062004       0.47377135      -0.00793535      -0.35608539
Cl       2.24348006       7.88041999      11.69700006       0.42389009      -0.98759309       1.06110272
Cl      12.23470003       7.03251006       7.67981006       0.63699175      -0.31861944      -0.64435014
Cl       5.26973005       9.81202004       0.70891304      -0.09755414       0.78685438       0.12137174
Cl      11.58180001      10.84700002       8.61771997       1.81938117       0.16180207       0.79118044
Cl       8.47861998       8.71108996      11.90890003       0.73729208       0.10451850       0.06866196
Cl       5.83414001       4.63387002       9.74775005      -0.55534976      -0.28630052       0.10708215
Cl       9.44659005       0.14738898       0.23997999       1.32575163       1.39389392      -0.44156246
Cl       2.53232000       0.87849497       5.11459998       0.09654896       0.12280195       0.67647286
Cl       8.87289005       4.70954994       0.96999097      -0.52315947      -0.39089962       0.54277901
K        1.37596993       9.47842998       9.85891996      -1.36434917       0.02806181      -1.44333435
K        4.85156998       3.44570994       4.12297005      -0.39585595       0.37009247      -0.10162415
K        6.89263996       6.49817006       7.83290996       0.29805317       0.25145825       0.26686167
K        2.17001003       6.14193999       8.99333001      -0.05480375      -0.27581764      -0.18010083
K        8.47287002      11.52290003      12.09030004      -1.00051854      -1.63996114      -1.43005246
K        4.65441000       1.89395999       8.42887002       0.02964488       0.39260569       0.01693065
K       10.45229996       8.27512005       9.39376997      -0.19766808      -0.29199360       0.92971799
K       11.31839996       0.17979998      10.87949995       0.07763632       0.52921289      -0.59423816
K        9.69050993      11.71729996       7.12717994      -0.74835968       1.68391182       0.52511092
K       13.11500005      12.55449993       5.65957002       0.14046728       0.09783194      -0.21688230
K       11.03650004      11.30440005       1.73846002       0.39509304      -0.12973670      -0.03152923
K        4.61690004      12.62980002      12.37549998      -1.04762914      -1.56611555       1.22215955
K        8.59143996       0.51500900       2.61055006      -0.44525119       0.76246585       1.77418637
K        0.71024297       0.67631994       0.72296404      -0.06798969       1.23063496      -0.56106155
K        2.11827001       5.44493000       1.58066004      -1.68564881      -0.03820910       0.34057236
K       10.10629998       5.07497000       4.17175998       0.20865021      -0.43033267      -0.66530293
K        7.39048998       9.54521994       5.11984995      -0.08789407      -0.08294838      -0.33931207
K        1.56305004      10.62049996      13.10527591       1.52519531      -0.89555160       0.49687882
K        5.88033004       7.79757998      11.87780003      -0.70591246      -0.40885364      -0.21147761
K        3.92068001      11.80750004       3.97709999       0.02087492      -0.06115569      -0.07608366
K        0.36107003       3.69046994       4.99942004      -0.15003697      -0.58733817       0.19198432
K       11.27710006       8.21778001       4.67623000       0.46245783       0.31091902       0.91144535
K        4.43200004       3.95747994      12.35430000      -0.19296574      -0.38626615       0.04484914
K        9.29069001       2.91387005       7.27795998       0.96943315       0.06815823       0.28731892
K        8.12635998       2.99391998      11.16830004       0.06237099       0.22465490       0.18127058
K        7.20519004       6.88087005       2.27126999       0.03698998       0.25809453      -0.10146520
K       11.02339993       5.99181003      12.93019997       0.34099422      -0.01785395      -0.05504543
Li       4.20940996      10.39520000       8.00822995      -0.62808402       0.29257098       0.02998241
Li       1.57534006       0.96101101       8.72616001      -0.29189555       0.13580676       0.86154163
Li       3.25259996       7.69355005       5.22199000       0.34172555      -0.57297951       0.00966638
60
Lattice="13.23443393 0.0 0.0 0.0 13.23443393 0.0 0.0 0.0 13.23443393" Properties=species:S:1:pos:R:3:forces:R:3 energy=-575.1131626 stress="-0.0150218714825476 0.00021676294953460853 0.001370626747070806 0.00021676294953460853 -0.011631027165216766 -0.0008607122349041831 0.001370626747070806 -0.0008607122349041831 -0.007628841471857783" free_energy=-575.1131626 pbc="T T T" config_type=melt 
Cl       9.93531996       8.64749996      12.37810001       0.00450739      -0.75505741       1.81160839
Cl       7.40720997       0.81097700       8.62347999       0.19692156       1.03636588      -0.73853385
Cl       9.29054006       0.16706197      12.34270002       0.24551140       0.17168930       1.43173124
Cl       7.14387001      10.70970004       6.27165001       0.50429671      -0.32848503      -0.90573744
Cl       1.39014004       3.18707006      10.51269994      -0.86374489       0.61349211      -0.98456545
Cl       1.01106999       7.61685002      10.52280006       0.16553984      -0.84121436      -0.30921003
Cl       4.35523000       8.46521006       2.17422004      -1.47758818       2.62806606      -0.16060995
Cl       0.80176596       0.91885695       3.86023994      -0.30599213       0.67465908      -0.47779819
Cl       3.58016993      12.18380000       6.99356999       0.27227366      -0.01776855      -0.06238354
Cl       3.16614999       2.31969995       5.38380001       0.67403685       0.97994584      -0.15567198
Cl      11.40089999       4.26889993       0.20684203       0.26150015      -0.17368333       0.16081351
Cl       6.45328005       5.59653004      12.64630005      -1.90814319       1.01062573       1.03362055
Cl       3.32332994       1.60582995      12.20579999      -0.48723072      -2.98714780       0.10173640
Cl       0.32456602       6.21307997       5.53401005      -1.62933028       0.34232283       0.05595555
Cl       8.31537999       8.40730001       2.73202006       1.85179854      -2.12866463      -0.69432589
Cl       8.55052001      12.76549995       3.69779004       0.48204341      -0.19466080      -0.14351406
Cl       6.35271000       3.83760998       9.86674005       0.59200966       0.22281176       0.11034220
Cl       4.78701002       7.47807997       6.64573995      -0.54274892      -0.06466449      -0.43423339
Cl      11.20299994      10.25330000      10.03840006       0.61037138       0.78975317      -1.10391219
Cl      10.22270000       6.12400998       8.00365997       0.00607096       0.15256648      -0.01775500
Cl       6.54770998      12.05289993       0.16706607       0.09985456      -0.80450833       0.19912128
Cl      11.89409996       0.49863205       7.65118994      -0.36203590       0.65857481       0.41436679
Cl      12.51709995      12.01970003       1.56830001       0.31648652      -0.56092291       0.14635353
Cl       2.73024996      10.17550006      11.61850002       1.68139485       1.10047340       0.21726856
Cl      12.66229995      11.37370005       5.31958998       0.23707946      -4.03780515       3.37526421
Cl       7.16458005       4.10797001       5.61764995      -0.57469171      -0.02241262      -0.03925268
Cl      10.13049994       3.19237998       3.47287997      -0.83962593       0.29173876       0.97672197
Cl       7.67621996       9.31308995       9.66809001      -1.06649785       0.56718073       0.08466015
Cl       3.09117997       5.44303999       1.62614997      -1.39704204      -0.94431814       0.50436889
Cl       4.58091998       1.90976998       1.67690998       0.50686811       0.06339258       1.47589787
K        5.27441993       2.97045996       7.46726995      -0.36274947      -0.34872575      -0.00479391
K        1.04730997      10.02459998       3.55286994       0.41143421      -0.17531998      -0.47329923
K        9.60255997       3.50261999       6.89816997       0.47491609      -0.36879665       0.30226618
K        0.25916608       9.63379006      12.00780002      -2.10640560       0.27826774       0.96131601
K        6.32423995      11.65409998       8.62244996      -1.56217985      -0.90358337       0.86091498
K        2.86395003       5.97689998       5.18953996       1.63367579      -0.40851204      -0.55579028
K        5.48823995       6.27338002       2.24432998       2.13035349      -1.83895392       0.14292275
K        1.41091003       0.87046604       7.19010994       0.26857172       0.06744470      -0.25869148
K        9.79612005       0.86896406       9.92284002       1.13149260       0.37930345      -0.72520778
K        5.87485005      13.10580000       4.95740998      -0.57089260      -0.12599678       0.49729123
K        9.97405000      10.46810003       1.55411997      -0.30007996       0.34809251      -0.40016492
K        0.92753702      13.00931197      10.98970004       0.51348441       0.35800729       0.21995373
K        9.87863000      11.81869995       7.42201004      -0.54317926      -0.63828157      -0.30281748
K        8.65322994       5.78646005       4.01649996       0.59571228       0.66522852      -0.20583171
K       10.86520001       1.19066999       1.67630000      -0.10887972      -0.44212649      -0.86806715
K        0.64436606       5.83560996       8.56012993      -0.30795831      -1.05404985      -0.27318660
K        4.11960996      11.64059993       1.35151998      -0.67569758       0.33981926      -0.50918335
K        6.48354005       9.84062004       3.43194997      -1.57007637       1.99858585       1.26980850
K        7.55776000       2.16377000       3.46429003      -0.87361523      -0.03560663      -0.64108164
K        6.17917997       8.75228002      12.40459998       0.06057950       0.24404386      -0.02570487
K        6.44911001       1.35995005      11.92920006      -0.27490293      -0.16491738       0.08515214
K       12.88639995       9.21384996       7.69141997      -0.00155079      -0.08308454       0.25032181
K       12.52000001       4.08383001       2.90989999       1.39017617       0.55417063       0.11209463
K        1.13835997       5.13950004      12.89690002      -0.66152646       0.00595442      -0.84900377
K        8.77847004       4.81511996      12.14540002       1.93789090      -0.35618519      -0.72518236
K        7.08601000       7.17118999       8.07984994       0.42992141      -0.74678484      -0.11773742
K        4.03294004       3.91026994      11.60840003       0.57066550       2.11471226      -0.22082884
Li      12.37310005      12.76879996       4.24703003      -0.65685384       3.54899293      -2.97175520
Li       2.67106001       2.68717995       3.03500999       0.70695721      -0.62645540      -0.00634784
Li       9.48724001       8.84706000      10.41980003       1.06682340      -0.02758802      -0.43969355
60
Lattice="13.23443393 0.0 0.0 0.0 13.23443393 0.0 0.0 0.0 13.23443393" Properties=species:S:1:pos:R:3:forces:R:3 energy=-576.38576688 stress="-0.010433747973212218 0.002233221396161319 -0.0035021301129698774 0.002233221396161319 -0.019378765803296387 -0.0036606951841997573 -0.0035021301129698774 -0.0036606951841997573 -0.012951817290679568" free_energy=-576.38576688 pbc="T T T" config_type=melt 
Cl       0.10241599      12.16490003       2.78136002      -0.89564246       1.19910644      -0.08422596
Cl       4.22251999       4.64060000       8.94237003      -0.97814295       0.23172927       0.18852907
Cl      11.90679999      10.87110005       7.35617998       0.14120739      -0.01192447       0.01656260
Cl       6.32375001      10.65020001      10.47559998       0.01771624      -0.38697337       0.43432289
Cl      12.07999995       3.34762995       6.80577006      -1.26831684      -0.34790799      -0.09695651
Cl       9.33194002       0.05892155       4.85759005      -1.29553612       2.37850239       1.38740856
Cl      11.11499995       6.43755000      10.54530005       0.01887335      -0.41671001      -0.39165350
Cl      10.14940003       7.60068998       5.83050994       1.11219071      -0.17605766      -0.26202247
Cl       9.60121006       8.65038996      12.39699998      -1.64038730      -2.00628857      -0.08402649
Cl       4.19889004       1.15630996       4.43284003       0.14871908       0.01212252       3.31439204
Cl       0.90448899      11.00999994      11.94080004      -0.46873507      -0.81064371       0.97441317
Cl       8.07117993       1.26211000       8.74844005      -0.17357821       0.38365626       0.26707909
Cl       6.79600001       2.35612998       1.23784003       0.24237233      -0.47569413       0.60694268
Cl       2.97099000       3.66612997       1.39016003      -1.36336197       0.58944987      -0.35096841
Cl       1.85504003       6.20825999       6.40652001      -0.22478764      -0.12861427      -0.59912725
Cl       4.18956996      11.74650002       1.82631006       0.41407405      -0.28360027       1.01574196
Cl      12.49830004       7.45288994       1.64600996       0.17677658       0.32186356      -0.02187656
Cl       3.53077003       0.18527705       7.90095004       0.11521003       0.02918390       0.30951284
Cl      12.26999997       4.16654006       2.03368001      -0.53345963      -0.63428040       0.47968608
Cl       2.29940997      10.39079995       5.69263003       1.83534415      -2.48158041       2.18950931
Cl       0.45596000       4.61406006      12.10679994      -0.71247368       0.15124910       1.16075245
Cl      12.24050002       0.66883997      10.07159996      -0.16820817      -1.86971813       0.76433876
Cl       6.56226998       7.21679995       3.81748994      -0.20241247      -0.07681915      -1.06435635
Cl      10.00550005       1.10277999       0.20939296       1.42691695       0.14186182      -0.92912939
Cl       2.70080003       8.14762996       9.64048999       0.18959973       0.31194282       0.59631135
Cl       6.71828000       8.92248000       6.61106997       0.88589840      -0.42510074      -0.46478467
Cl       7.06511997       5.18855003      12.97169998       0.21415287       0.65221467      -0.06162227
Cl       7.83210994       5.07916995       7.11175997      -1.82715284       0.22609548      -0.92332143
Cl       9.36188001      10.83399996       2.52445993      -0.58480790      -0.37277245      -0.94321518
Cl       3.69861005       7.67657993       0.98597195      -0.49189461       0.17375555      -0.04796392
K        1.94943000      12.80549997       5.53519995      -0.62639478       2.64279459      -0.21132217
K        6.39897996       8.00770004      13.19859998       0.36095833       0.03154387      -0.47132969
K        8.98362997       8.51396002       9.65267004      -0.35131023       0.02792980      -0.83836270
K        6.76886002       0.73359301       6.33761004      -0.61809690       0.06879624      -0.36742951
K        6.02102994       2.84332999       9.78374004       0.28107911      -0.19278256       0.61535798
K        3.72079003      10.32600006      12.88669997      -0.26289941      -0.36966188      -1.40656126
K        0.19633600       1.53602003       1.55438996       0.16690708       0.04278827      -0.46308576
K        4.90939003       5.42032996       2.33842998       0.45199633      -0.57839343      -0.23470930
K        9.60646003       8.32087003       2.02379005       0.16380419      -1.90216097       0.31654796
K       10.85019997      10.63680002      13.03359994       1.96882459       3.10652837       0.62080452
K        1.23493004       9.94698995       3.49346997      -0.52142259      -1.89671029      -2.05215989
K       12.29290004       5.55929999       4.58268003       0.00144512       0.52632197       0.48300299
K        5.06899002       5.93040000       6.56628001      -0.00109876       0.34011732       0.00463949
K        4.13223998       1.31528000       2.02829002       0.49391838      -0.09331301      -2.92326874
K        2.65029995       5.97341006      11.62339994       1.80298668       0.26502844      -0.48554800
K        1.53456994      12.80669994      10.09239999       0.73492013       0.22027259      -0.88029492
K       13.16200002       8.18072995      11.95049995       0.02591689      -0.16117300      -0.30290900
K        8.05568003      12.82380002       1.20212995      -1.75073244       0.25493021      -0.33652396
K        4.77059999      10.17429996       7.85900006      -1.09326459       0.65431683       1.20048490
K       10.03830000       4.59665003       8.19073994       1.04230385       0.04626677       1.12010269
K        0.68071007       8.62060997       7.77079997      -0.44691700       0.11581410      -0.39873386
K        5.14603004       9.79910005       4.22715999      -0.18307205       0.22163337      -0.22466716
K       12.79650003       3.05217994      10.14890004       0.13606166       2.26805881      -0.79582370
K       10.17179997       4.74119003      13.22150005      -0.30167112       0.06330674      -0.58465171
K       10.39000006      13.22900000       8.31095003       0.05975328      -0.80524580      -1.07042523
K        1.36183000       3.29463001       6.49869004       2.45775601      -0.04732255      -0.03360756
K        9.63231005       2.11586002       2.67880996      -0.33611717       0.69543954       0.78987989
Li      10.17429996      11.88929996       3.95383994       2.39097064      -1.28025472       0.30263855
Li       0.46356503       5.53514000       1.01165006       0.22667144      -0.24282981       0.00347061
Li       8.24772000       7.53731994       5.00411006      -0.38343069       0.07991230       1.24423209
60
Lattice="13.23443393 0.0 0.0 0.0 13.23443393 0.0 0.0 0.0 13.23443393" Properties=species:S:1:pos:R:3:forces:R:3 energy=-578.58316673 stress="-0.00495119182056161 0.0019072977225657944 -0.0013499535269214185 0.0019072977225657944 -0.008404950506190785 -0.00048351070034537857 -0.0013499535269214185 -0.00048351070034537857 -0.00892376566627279" free_energy=-578.58316673 pbc="T T T" config_type=melt 
Cl       7.12492995      10.13229995       5.43379997       0.35973658       0.16357619       0.19427988
Cl      10.85899994      11.43180001       0.04520221      -0.25174400      -0.12561024       0.19403622
Cl       0.53308604       1.66329995       2.48348996       1.27931797      -0.68839339       1.22303196
Cl       9.00953002       0.60724202       3.38093996      -0.12566995      -0.31526143      -0.24782586
Cl      11.82060001       1.50451004       8.07582998       0.36250666      -0.16839078      -0.06026767
Cl       2.16310999       8.47968006       8.95732997       0.19870878       0.64200107       0.55446145
Cl       2.72978000      11.60669993       2.56438002      -0.87704665      -0.16500110       1.43973361
Cl       1.33135004       7.10850999      12.94580006      -0.12830621       0.65051940       0.27266907
Cl       1.60819997       3.76072004      12.69760003       0.30134701       0.47641240      -1.08451504
Cl      12.17370001       9.39192999       7.89139002      -0.21905555      -0.12789881       0.28892611
Cl       3.93401000       9.86348001      12.86080005      -0.27696351       0.06356679      -0.04809699
Cl       2.33371005      13.15850004       7.11614004      -0.05704901      -0.22039979      -0.13739254
Cl       3.24315005       9.11897998       4.64975995      -0.47744174       0.99217867       1.63549845
Cl       9.66090000       2.98972996      11.66180004      -0.15189307      -0.02888229       0.11265390
Cl       5.45697002       2.72655001       6.02323995      -0.46690820      -0.14195441      -0.12554884
Cl       4.81415001       2.30816998       1.73812003      -0.43389593       0.32978785       0.23883097
Cl       6.61433001       8.65115994       8.99904001      -0.53317832       1.53497048       0.37848263
Cl      12.02550002       8.47126005       3.41392996      -0.11419204      -0.22530153       2.53326046
Cl       2.53974994       4.11660998       3.72018998       1.04555940       1.13874761      -0.30748171
Cl       5.60188999       0.50752095      12.34100006      -0.33432167      -0.81767616      -0.24081994
Cl       1.64222994      13.10130002      12.33799994       0.02885966      -0.06093386      -0.05779905
Cl       3.97172006       5.78145002       8.38128998      -0.36873908      -0.70725059      -0.53404435
Cl      10.56450004       6.82902998      11.85630003      -0.19861155       0.14806529      -0.22157201
Cl       7.02170997       9.15767005       1.37448000      -0.28325469      -0.51150495      -0.01252978
Cl      10.74849996       4.74529006       2.77991005      -0.10283271      -0.78220598      -1.43020303
Cl       6.90756999       0.43975205       8.50347994      -0.40106875      -0.24882642       0.57865892
Cl      11.36260006      11.72539997       5.16393001      -0.23388772      -0.05521515       0.43680537
Cl      12.72690001       4.93678001       6.62894003      -1.41616173      -2.45506972       0.44283275
Cl       6.07663004       4.80235006      11.32669994      -0.39572551      -0.47126643      -0.28678451
Cl       8.84420004       5.16557002       6.05151995       0.08234174       0.54234056      -0.26538122
K       13.11020005       6.11603994      10.64979994       0.30894446       0.08418554       0.14531526
K        3.76288996       6.63028001       5.26609005       0.65999058      -1.86951774       0.91928253
K        9.88646002       9.33172999       6.14076001       0.25072590      -0.29094902      -0.06594860
K        7.28077997       2.33842006       0.35421195       0.47575597       0.24969445       0.05315284
K        7.90286004       6.41528994       9.01663003       0.38002814      -1.43850776      -0.13119523
K       12.59299996       3.01074995       0.66597101      -2.15497964       0.62349418      -1.24292791
K       11.75169996       8.57664995       0.93151596      -0.05818645      -0.17253480      -2.55230948
K        8.09322996       0.18543798      11.11629997       0.81508844       0.33226096      -0.38170018
K        8.03543002       5.77014001      12.83309999       1.02715513       0.37243247       0.74046428
K       12.76579998      12.17839995       8.56957005       0.27602608      -0.14384406      -0.15452152
K        2.89719996       8.41258002       2.15541999      -0.49814931      -0.39347825      -2.05745337
K        4.52806006       7.22123997      10.82079994      -0.71232207       0.43602151       0.00154298
K       11.88570006      12.87459999       2.62729996      -0.51791810      -0.22148212      -0.53286981
K        3.76775996       2.75447995      11.14850001       0.60424051      -0.38702941      -0.08782831
K        8.56825998      12.70759997       6.63028994       0.61155090       0.07326386      -0.91242044
K        4.89287001      10.80500001       7.56964002      -0.12762252       0.02612139       0.19976384
K        5.15716999      10.75440001       3.52643006       1.01764199       0.25142103      -0.55804824
K        7.43134998       2.92836004       4.05701003      -0.00748022       0.30671338       0.13962670
K        1.65235997       2.74136000       7.89894000       0.03423525       0.06605682      -0.26702416
K        0.58831294       7.03990004       7.12032000       1.46368198       2.96015150       0.29330204
K       10.34909997       3.77196997       8.16009998      -0.39504557       0.16111975       0.25345336
K        1.12140997      10.30540000      11.13710000       0.37489756      -0.25264378       0.38267112
K        6.60755001      10.44330002      12.03030002      -0.10578799       0.08133375      -0.18460409
K        3.26660001       1.44169002       4.12403000       0.34464352      -0.33813276       0.39784558
K       13.17759998       4.06509998       4.11239005      -0.88867907      -0.34639763      -0.34610771
K        1.10172997      11.43499996       4.94272995      -0.23724051      -0.34507520       0.40243237
K        8.97886001      10.59810002       2.66560994       0.61846067       0.60096614       0.31516688
Li       2.56168999       3.35235001       1.28348996       0.70488351      -0.32849982       1.12520094
Li       3.07452006      12.42010002       0.82309405       0.27279908       0.85444951      -2.60228397
Li      10.18330004       5.94594993       4.26518000      -0.34776843       0.68328280       1.24412311
60
Lattice="13.23443393 0.0 0.0 0.0 13.23443393 0.0 0.0 0.0 13.23443393" Properties=species:S:1:pos:R:3:forces:R:3 energy=-575.99967588 stress="-0.012891576741200193 -0.0009874493919465887 0.0028603015862956227 -0.0009874493919465887 -0.005780880565698991 0.0026784112090321673 0.0028603015862956227 0.0026784112090321673 -0.00995174238782651" free_energy=-575.99967588 pbc="T T T" config_type=melt 
Cl       5.21091000       1.44563997       4.96031997       1.36108942      -0.91202831      -0.27663139
Cl      11.74480006      11.12320001       2.17388997      -0.69763592      -0.51433804      -1.71130880
Cl      10.60370004      11.56850006      11.72029995      -1.21401620       0.85319308      -0.53002078
Cl       6.61943003       5.56040996       3.67033005      -0.07308906      -0.10357332      -0.37446273
Cl       1.84218000      10.60120005      12.40870001       1.24924203      -0.75302455      -0.80354436
Cl       4.87456004       9.79710999       2.10801994       0.38076921       0.01505511      -0.37983585
Cl      11.81660004       1.23279004       7.97807000      -0.00370272       0.39345060      -0.43463971
Cl       4.16562000       6.03160994      11.85430005       0.64595092       0.21688082       0.10831909
Cl      11.18959994       6.72923004       1.13389004      -0.28384004      -0.22968850      -0.03093839
Cl       8.88196000       0.24074401       4.73512006       0.08936229      -0.25171739      -1.23242513
Cl      10.14130003       8.45884006       5.77485001       0.19113808       0.01171254       0.21561753
Cl       9.50051997       3.77944001       4.90589005       0.63867663      -0.10111084       0.19219477
Cl      10.46999996       2.54227004       0.75185097      -1.78815019      -0.39686055       1.27388573
Cl       8.08032003       5.97498006       8.20643003       0.06122781       0.60089674       0.07939646
Cl       1.38975995       8.71672995       2.05393994       0.74706479      -0.06423874      -2.12706395
Cl       4.05080996       5.11097004       7.38556003      -0.34178417      -0.18297909       0.47743983
Cl       5.36649004       1.01283004       9.01884997       0.65840133       0.04019516       0.41339746
Cl       0.50376807       0.21065698       4.14071994       1.18800562       1.48187140       0.12449285
Cl       1.77325004       4.15600002      12.98140002      -0.01733567       0.39939720      -0.62899317
Cl       2.75581994       5.01403006       3.71521000      -0.13597827      -1.67060262       1.03589769
Cl       0.01898930       6.17817997       9.08206001       0.24154432       0.04965296      -0.00984014
Cl      12.83900003       5.77554998       4.26220000       0.93626995       0.71931633       1.97717395
Cl       1.08343005       9.55388002       4.90686000      -0.35861446       2.19539969      -0.71823585
Cl      13.21199998       9.67271002       8.89134996       0.35655762       0.11197968       0.00402013
Cl       5.00986995       9.38034006      10.13579993       0.20755918       0.07082942       0.34686450
Cl       5.82595994       2.09279995       0.36936405       0.11682071      -0.22084452      -0.23158750
Cl       1.51477003       0.71677099       0.32250794       0.23975835       0.03763214      -0.28402523
Cl       2.10678001       1.05087996       8.15219995       1.22738531       1.08169499      -0.51933698
Cl       6.65247998      10.24300004       5.79492995      -0.93687513      -0.95922121       2.18282321
Cl       9.59529996       2.72783997      10.37420000      -0.38362431       0.41106937      -0.14694208
K        5.39127998       7.11116998       5.87446004       0.58892583       0.57005566      -0.26732081
K        0.41019506      12.75200004       9.18042997      -1.38126157      -1.63438037       1.01125557
K        1.50085005       7.57281006       6.28307993       0.09309412      -2.16277346       1.71421911
K        2.09518995       4.66445003      10.07480004       0.64489104      -0.76837307      -0.12309401
K        6.76625006       3.89994999       6.73116002      -0.16791032      -0.43575073      -0.65914065
K        4.51929000      12.88700000      11.78450005      -0.31596110       0.16431484       0.05638126
K        6.94152994       2.47385000       3.14068998       0.73800808       0.35143058      -0.36223554
K        4.16378002      11.71640002       8.01702000       0.17533901       0.11228950      -0.31204382
K        8.83366993       0.50637194      12.02769998      -0.21943608       0.51800018       0.23176244
K        7.40943005      11.31770000       3.63495004       0.27273728       0.19052245      -1.61599510
K       12.95590005       3.36723994       6.21496998       0.05605337      -0.48372804       0.26518673
K       12.05530000      11.45340006       4.61654999      -0.64202052      -0.78749994       2.85593817
K       12.41209994       3.19940998      12.52690005       0.79733220       0.22419408      -1.56112812
K       11.02970005       6.03584006       7.41148006      -0.80261317       0.27633949      -0.40244363
K       12.98299993      12.00939993      13.09809994      -0.87869322       0.44723929       0.39379642
K        9.13755993       1.01324997       7.21625999      -0.26308899       0.43828918       1.36988784
K        2.94215998       2.17886996       5.72221005      -1.54994648       0.87279056       0.32608965
K        2.38904005       8.17688005      10.69739996      -0.87715723       0.33055240      -0.46769931
K        0.63782997       5.59423003       1.84039997      -0.03865054       0.41064885      -1.04761545
K        3.01097996       2.53397999       1.56312005       1.00800804       0.42927118       0.92589574
K        6.58501997       4.50246003      10.13869999      -0.23196410      -0.51163925       0.30118010
K        3.50079999       7.13289999       2.45427006       1.61452703       0.82478612      -0.62794251
K       11.18809995       1.19771998       3.19646995      -0.16373074      -0.10446173      -0.13778899
K       12.01590003       9.41958995      11.56590003       0.84545293      -1.63167898       0.10718521
K        8.47401996       9.22763997       8.25965998      -0.06487077      -0.11225176      -0.55240147
K        2.67163994      11.86610000       2.71293005      -0.28914537      -0.50402570      -0.13280897
K        8.16247000       5.57398995       0.65878696       0.39556224      -0.14739831       0.52681724
Li      13.00449993       8.47312001       3.13014002      -1.66969602       0.17388991       1.02976046
Li      11.06769995       5.04528000       3.90082995      -2.31949658      -0.19411300      -0.70436826
Li       4.70301994       8.06837000      12.39710003       0.34353419       0.81346056      -0.13302047
60
Lattice="13.23443393 0.0 0.0 0.0 13.23443393 0.0 0.0 0.0 13.23443393" Properties=species:S:1:pos:R:3:forces:R:3 energy=-578.34714977 stress="-0.0007706558215682085 -0.0011621059849633278 0.0024301137711371106 -0.0011621059849633278 -0.0011203342981647884 -0.0019467839559677092 0.0024301137711371106 -0.0019467839559677092 -0.000529125608871199" free_energy=-578.34714977 pbc="T T T" config_type=melt 
Cl      10.50799999       6.96298005       7.15762999       0.19961406       0.23665237       0.66422849
Cl      12.22389993       8.18177004       4.38681001       0.38298349      -0.34529509      -0.00325887
Cl       4.15944998       0.53819798      12.20770006      -0.00751147       0.72855179      -0.46601695
Cl      12.30020002       4.70276002       2.56302997      -0.17621494      -0.04982433      -0.16872879
Cl       2.46421997      10.19770003      10.94069994       0.19905753       0.65914520       0.24200389
Cl       2.60290003       6.24856003       4.41644005      -0.51233296      -1.22940014      -0.01538502
Cl       2.90666999       9.31260994       6.22792000       0.20779806       0.53345595       0.49091955
Cl       5.29375994       7.66434999      10.38670005      -0.36890639      -0.57435363      -0.97009515
Cl       7.82496997       5.28995001       3.02251999      -1.09162618      -1.57737556      -1.20666728
Cl       7.49251000      13.12019999       2.59856999       0.08307459       1.76960886      -0.63037935
Cl       6.07993997       9.96338001       1.42187000      -0.53206431      -0.11669134       0.49707396
Cl       7.00575996      11.19680000      10.52769998      -0.81558918      -1.17359506      -1.31289262
Cl      12.65829998       0.00596463      12.89759998      -0.20329461       0.54019931      -0.02582290
Cl      12.18410002      12.08930005       6.51102003      -0.58155645      -0.09959385       0.46611352
Cl       6.87277997       7.12337993       6.02194999      -0.58713617      -0.03570485       0.07380169
Cl       9.30013000       2.23007001       7.81882998      -1.36556499       0.34943222      -0.76240287
Cl       8.39777003       4.83886002      11.59530006       0.00406517       0.39019368       0.06038151
Cl       7.32900995      12.00209995       5.61166997       0.05759055      -0.18379080       0.91214595
Cl       8.05536995       1.83461996      10.89740005      -0.32202437      -0.93817528       0.31770402
Cl       4.10390995       2.71432999       8.02508003       0.52924591      -0.25456092      -0.36935216
Cl      13.08019997       6.59879000      13.19229999       1.46845767      -0.70500237      -1.47600791
Cl       1.36873004       7.17857004       8.99886002       0.04214383      -0.41330395      -0.05620475
Cl       1.25914998       9.02757001       2.06963003       0.56594735       0.20558223      -0.34152846
Cl      13.17320006       3.56399997      10.24100005      -0.12058978      -0.30138386      -0.17327878
Cl      10.25729998       9.11810995      11.22889999      -0.30542353      -0.19604903      -0.23433395
Cl       2.43825996       0.12896612       3.43992001      -0.13529669      -1.34945558      -0.25515018
Cl       4.21443005       2.90206996       3.03857005       1.46508602       0.14032621       0.12070685
Cl      12.73200003       2.27517997       5.12988999      -0.35652880      -0.06882367       0.69880329
Cl       9.79753998       9.67765996       2.71229004      -0.74727251       0.53274043      -0.89113602
Cl       3.64387004       4.91422999      12.86239996       0.42510769      -1.11259467       0.35733640
K        1.24194006       2.59549999      12.57240003       0.18638369       0.30657173       0.89580374
K        6.75505002       8.91855003      12.22860001       0.92330861      -0.63364081      -0.20010597
K       12.54830000       9.15819996       8.34863005       0.19194352      -0.07602835      -0.03860459
K        5.03955995       5.64879997       2.16334001      -0.36171934       0.01892133       0.14672585
K        4.02116999       6.31875004       7.29637000      -0.03625211       0.36433613       0.27362178
K        7.04845001       3.02417006       5.09400006      -0.04367740       0.41511540      -0.04647033
K       10.24300004       0.93835803       4.14338999       0.31240240      -0.11150034       0.38990216
K        1.43196006       2.66479006       3.10630004      -0.61142411       0.75807799      -0.01676435
K       10.96470006       6.10893000      10.82819997       0.38322918       0.16755929      -0.48546769
K        8.67518997      12.50100000       8.96194998       0.97124657       0.90689691      -0.87621207
K        2.47360000       1.56812002      10.01030005      -0.53070653       0.26880150      -0.09418645
K       11.02879998       7.43218004       1.06259998      -1.91549116       0.22300858       1.45263876
K        4.76497006       0.30447496       4.97560005      -0.01201106       0.01507579      -0.21332620
K       10.22739995       9.99783003       5.43991997      -0.20847516      -0.06295177       0.63575285
K       11.89129995      10.20819996      13.20919997       0.83508930       0.55076926       0.31299801
K        6.18429997       9.30582001       7.94875004      -0.14841545      -0.24036068       0.01260105
K        0.50105196      10.93050003       4.29829997       0.48839402      -0.13607316      -0.04078263
K       11.75979997       1.49145996       8.54734004       0.93862299      -0.14413769      -0.27711062
K        9.41853993       6.69039002       4.44669000       1.32300584       0.89268441       0.95072934
K        0.73726702       5.40528996       6.75863999      -0.70937239      -0.06719043      -0.26376459
K        4.72993004      12.78080002       9.06038002       0.04812880      -0.31717292       0.29844262
K        6.16504996       2.85348001       0.37323605      -0.23844639       0.23093566      -0.23111776
K        6.84183006      12.73700000      12.54330003       0.39202192       1.07291461       1.57487742
K        3.78773999      11.52299995       0.58772599      -1.18877354      -0.45315656       0.23192230
K        3.99408003       8.43153994       3.85257005       0.58974525       1.06758144      -0.46955764
K        2.42453996       7.20334000      11.95670002      -0.17513631       0.89217702      -0.69989963
K       10.63519997       2.65263000      13.09980003      -0.02149902       0.14679860      -0.23532913
Li       0.62785399       6.92505003       3.00305002      -0.24723205       0.00273641       0.11969020
Li       7.53144994      11.07340002       2.52188001       0.84247098      -1.05586591       0.59627430
Li       7.49855999       4.06322002       9.35131999       0.62140035      -0.36379769       0.75414215
60
Lattice="13.23443393 0.0 0.0 0.0 13.23443393 0.0 0.0 0.0 13.23443393" Properties=species:S:1:pos:R:3:forces:R:3 energy=-579.68605749 stress="-0.007080925213061254 0.0009528935949881013 -0.0005001795492433639 0.0009528935949881013 -0.008090266111565022 -0.0033392167758187776 -0.0005001795492433639 -0.0033392167758187776 -0.0033512460550816194" free_energy=-579.68605749 pbc="T T T" config_type=melt 
Cl       4.40831001       5.52340000      11.53189997      -0.12198411      -1.59963983      -0.33770597
Cl      11.84629996      13.03739994      12.80749996      -0.18225829      -0.21913259      -0.86604013
Cl       0.33229295       3.91743995       3.43587001       1.16375206      -0.97090026      -0.23471751
Cl      12.38659996      11.65590000       5.70551997       1.54101121      -1.88474501      -0.57210418
Cl       8.15931994      10.92340002      11.87220001      -0.16267218       0.80000059       0.00176639
Cl       1.87072998       4.32777001       8.45756003      -0.61644345      -0.09311201       0.94992961
Cl       5.27614994       0.00109039       6.99369003      -0.45704516      -0.19821142       0.09141588
Cl       1.17145002       7.91551996       8.57070001      -0.08135342       0.79393942       0.07407376
Cl       2.95266997       1.00100004       0.77633494      -0.33393493       0.46108089      -0.13612018
Cl       6.20783000       1.83375006      10.04909996       0.27870404      -0.13818469       0.21138133
Cl       9.25102006       2.11668003       4.31321001       0.09340673       0.35698512      -0.16311341
Cl       8.53555994      11.74029995       2.73932997      -0.04026039      -0.68679788       0.42585964
Cl       7.74044005       7.95928002       0.88349097      -0.82327853       0.36096032      -0.42608278
Cl       4.82169006      10.55299998       1.20999994       1.48130368      -0.11170214       0.13670814
Cl       6.51780996       6.23496006       7.75896998       0.11395978      -0.20575559       0.67542872
Cl       5.70624998       9.15699999       4.95235998       0.73035168       2.00669488      -0.07455362
Cl      12.06170004       1.93822004       8.34374006      -0.64323572      -0.53002910       0.61141371
Cl       1.38036999       9.10015003      13.21386166      -1.86163743      -2.97338295      -0.46146228
Cl       3.12653999       7.22460006       2.22068997       0.21900553       0.62234276      -1.51729305
Cl       8.05704000       2.61107997       0.09487475       0.41817816       1.60862777      -0.26369587
Cl      10.76569996       8.28171000      10.82009997       0.31445552       0.00490872       0.31398201
Cl       4.65333999       9.18087001       9.82910000      -0.00782101       0.05535504       0.02918345
Cl       9.58328998       7.29999994       3.46971006      -0.13191459       0.53951137      -0.22373452
Cl      11.61170003       6.32173996       6.27411996      -0.54791071      -0.20842485      -0.36930254
Cl       8.74332997      11.40209995       7.76328003       0.16460895       0.34311662      -0.11792031
Cl       2.00761003      11.18720001       3.00003998      -0.39981256       0.15179412       0.65234707
Cl       4.10538003       3.01861993       4.78037004       0.17544243       1.58780216       0.66842815
Cl       2.11270996       6.37774994       5.65887997      -1.40771686      -0.11893541       0.09341671
Cl       2.37127004       0.22645003       9.61033997      -0.01728939      -0.21408947       0.35662904
Cl      12.14080000       6.39424005       0.62091994       0.31797814      -0.18404226       0.08102434
K        3.64009995       6.44766997       8.12402000       0.56058445       0.46380211       0.50442699
K        5.41918002       2.02270999      12.76290005      -0.86891922       0.04931097       0.23282060
K        7.87388999       8.69306995      10.16059994      -0.07701671      -0.02166516      -0.44993296
K        0.50287104       6.91445004      11.15499997      -0.33479263       0.19707549       0.09712442
K        1.00705003       2.19529005      11.37079999      -0.08366080      -0.22362172      -0.43925902
K        8.10648001       5.92033005       5.51189001       0.35167365      -0.33027554      -0.09577457
K        3.01468004      10.18360006       7.07607001       0.04242830       0.03073178       0.20134125
K        2.44605002      11.23630002       0.14546403       0.82598691       3.34570221      -0.46482331
K        4.56655003       7.80480995      12.84419997       0.23050125       1.44481763       0.41943829
K        7.18291001       4.42392002      10.83629998      -0.09322086       0.50376112      -0.33570879
K       12.43250002      11.68619997      10.10629998      -0.01344961      -0.17785481      -0.39158635
K        8.39261006      13.21720005       0.37514498       0.52213506      -0.92592675      -0.07512810
K        4.07312004       2.54725003       8.36060999      -0.03711113      -0.31617340      -0.76797965
K       10.77449993       0.26048701       6.02070000      -1.52842118       1.68610638       0.66859558
K       11.50459998       9.62041997       0.53318398      -0.40235122      -0.29795839      -0.46153644
K        9.26241001       5.70483999       0.42971294       0.23404175      -0.11339975       0.11691209
K        5.30886003      12.10010001       9.95460994       0.03067256      -0.19224065      -0.27281122
K       12.71610005       0.28609193       2.05669998       0.51452732       0.23640707       1.26829448
K        9.60689002       9.64605004       5.22348999       0.11226161       0.30009863       0.32030670
K        3.91161005       0.72572501       3.71756003      -0.47186997      -1.69730857      -0.57701469
K        2.31881999       4.75243996       1.37853000      -0.11845383      -0.77901304       0.02009226
K        8.77722004       0.74002402       9.44506994       0.49776695      -0.43762416      -0.24912602
K       11.29439998       5.17292996       3.27812005      -0.85446960      -0.22218841       0.41311664
K        0.54072602       7.60994006       3.01209999      -0.61061604       0.19511967       0.48871140
K        4.27142004       7.13835006       4.48016001       1.20836920      -1.98869895       0.78381585
K        0.59075694       2.98085998       6.37870997       0.08938279       0.11651197      -0.69531700
K        7.13703999       0.14418995       4.86496005       0.28952720      -0.08504636       0.09173222
Li       0.31700294       6.38236995       7.17459005       0.46718291       0.06238413       0.07068872
Li       7.02595002       9.89777996       1.93886006       0.14513588       0.01355252      -0.11232463
Li       3.78690000       9.86778001       3.02562995       0.19658586      -0.19242035       0.08176366
60
Lattice="13.23443393 0.0 0.0 0.0 13.23443393 0.0 0.0 0.0 13.23443393" Properties=species:S:1:pos:R:3:forces:R:3 energy=-580.45808451 stress="-0.0013798067961422098 -0.00304173596514385 0.0025960727213227854 -0.00304173596514385 -0.010551995810273654 0.0027671949786573745 0.0025960727213227854 0.0027671949786573745 -0.003940467697529893" free_energy=-580.45808451 pbc="T T T" config_type=melt 
Cl      11.61900002       3.14596999       9.36291998       0.52484945       0.26826986      -0.73711443
Cl      10.06080000       6.20772002       2.86659004      -0.19782251       0.50998589       0.00925703
Cl       4.49841003       6.48297997       5.36126998       1.44097860      -0.23688573      -1.02067011
Cl       6.54167998       7.11320993      10.83710000       1.28197910      -0.15189406       0.26414714
Cl       2.48141004       3.51898000       7.04809003      -0.24034119       0.27248797      -1.66864077
Cl       0.71840994       7.27492003       4.65735003      -0.06401262       0.12531594      -0.39953723
Cl       9.19073999       3.00451997      13.12024591       0.34154721      -0.36935274      -0.01056217
Cl      10.84129995       6.46249995      11.35479995      -0.58034433       0.50867687       0.09471744
Cl       3.19762995       0.19618394       8.08790005      -0.21865739      -0.07216673       0.05970396
Cl       9.22751001      11.33579994       2.99302004       0.36730960       0.22712168       0.18163070
Cl       2.11140002       8.40155997       1.41553997      -1.35781314       1.19466281      -0.63467186
Cl       1.13209002      12.25329996       1.13348003      -0.46441868      -0.02955987       0.40469022
Cl       0.84529600       6.65147999       9.57236005       1.13946933       1.82815364      -1.58077856
Cl       1.71635005       4.09018995       1.35678001      -0.08591927       1.75295180      -0.23708483
Cl       0.41490202      11.41670005       9.69656998       0.04885639      -0.04327007       0.01422906
Cl       3.59918001       9.44292001       8.02053996      -0.15939089       0.33753386       0.30177062
Cl       8.89131000       9.56619995       7.83520998      -0.33780760      -0.52556625      -0.89843839
Cl      11.64399999       2.08103996       3.63040004       0.82800651       0.15846693       0.21355302
Cl       6.47302000       3.52229006       9.95697997      -0.08214252      -0.23805677      -0.46066135
Cl       6.76411005       0.08955940      12.18749995      -0.19977707      -0.04534827      -0.17364944
Cl       5.54609997       1.04641003       5.29318993       0.32332081       0.84225332       0.04809074
Cl       9.50094003       4.55904002       6.01663002       0.93312378       0.20035275       0.07501676
Cl       5.02033998      10.62490001       3.68089999       2.10841815       0.17942303      -1.60738924
Cl       8.98455002       0.24484603       8.42994995      -1.04739404      -1.32577999      -2.95031093
Cl       5.02026004       9.73962001      12.57270006       0.09754873       0.19327753       0.07831461
Cl       2.13959002       2.36763997      11.25079993      -0.00890134       1.71642974      -0.78156220
Cl       5.81742002       4.59283997       1.39714000      -0.68055130      -0.06054405       1.18465544
Cl       0.67490796      11.20609997       5.89967004       0.23674386       0.01288738      -0.54579448
Cl       3.56413999       1.35638006       1.58819996      -0.55532100       0.20650892       0.86251245
Cl      10.44729999      11.58419994      11.54190004      -0.17237942      -1.22384715      -0.85657948
K        2.36030002       6.30446003       6.87181995      -0.82683071       0.76060622       1.31277030
K        7.53574994       9.88346004       1.37164995      -0.40677397      -0.25291662      -0.44840852
K        8.28101003       7.10747995       5.55608998       0.04020754       0.65947386      -0.31236795
K        2.19768006      13.10039995      11.84529997       0.21967495      -1.16922335      -0.32832501
K        6.02305004       0.64494904       9.11958995       0.00637031      -0.10160848       0.19022777
K        0.02103494      10.06349996       2.96938996      -0.02258367       0.12353868       0.39500871
K        3.43726002       6.34842998       2.22502001       1.04316923      -0.75074613       0.51002144
K       13.21199998       4.88730996      11.09609999      -0.62203760      -1.84172579       1.38674325
K        4.04743995       7.75789997      10.27549997      -1.12286924       0.21837728       0.22672223
K       11.83039998       1.38108994       6.93724000      -0.22887383      -0.33300411       0.08451233
K        9.21966001       3.46129997       2.75211999      -0.19058635      -0.22903144       0.10316329
K        7.90295996       5.60697002       0.05536612       0.94587098       0.55750211      -0.86494469
K        0.75748302      10.21779996      12.31840001      -0.12238427      -0.65516226      -0.07493644
K        7.85372998      10.03159994      10.41259997      -0.28291569       0.27009942       0.56689379
K        3.45248994       9.46618006       5.31302001      -1.42356576      -1.57538680       0.50217987
K       11.45990002       8.99663994       8.86399995       0.72162508       0.04113329       0.47793813
K        8.34783003       5.60097999       9.18774001       0.72525445       0.04486262       0.40934860
K        3.42850001      12.46520006       4.77184998      -1.13475498       1.15268952       0.49681990
K        9.69619995       1.50021004      10.39100005       0.08658669       1.01035984       2.78178885
K        4.83765000       2.78027003      12.64830004       0.36230931      -0.03397568      -0.53477129
K       10.74019999       0.11652694       0.16700294      -0.04657797       1.02113406       1.40795490
K        4.93999002      12.21579993       1.04241006       0.14206525      -0.42072451      -0.14939816
K        7.44979004      12.13150003       5.28468006       0.47328770      -0.34901610       0.19194677
K       12.91820004       4.71293994       5.38517997      -0.64739003      -0.40643693       0.14880063
K        7.11093996       3.57197994       6.54380000      -1.32908312      -0.93591101       0.47466126
K       12.79509996       6.31857005       1.81229003       0.05412133       0.06273656      -0.21447259
K        3.86785000       3.35254998       3.99642001       0.37943144      -0.03508329      -0.02506934
Li       1.77220002      11.32160005       7.85260002       0.35192149       0.08136787       0.53287093
Li       1.24637995       2.34470999       2.15616999      -0.38855791      -1.94729516       0.13858174
Li       2.41705999       2.64347005       8.86597995       0.02473217      -1.17912194       1.38489556
60
Lattice="13.23443393 0.0 0.0 0.0 13.23443393 0.0 0.0 0.0 13.23443393" Properties=species:S:1:pos:R:3:forces:R:3 energy=-578.91962346 stress="-0.005305060222234395 -0.0033601124870439756 0.00042605974343774426 -0.0033601124870439756 -0.00483490939727486 -0.0007881016821787843 0.00042605974343774426 -0.0007881016821787843 -0.005345618846768283" free_energy=-578.91962346 pbc="T T T" config_type=melt 
Cl       1.63381006      12.94040001       3.03802003      -0.18186724       0.40043908       0.36218305
Cl      12.01030001       7.55247006       3.55698996      -0.49817255      -1.05802061       1.50876351
Cl       8.93812998      10.88919999       9.73369998      -1.32370388      -3.06171278      -0.57853546
Cl       7.57338999       5.10794994      10.33410006       1.19539938       1.98428281       0.96802058
Cl       5.88199003       5.62306998       5.61780995       0.81743545       1.04761743       0.46285362
Cl      11.34790005       5.45347997       7.02757004      -0.25543007       0.14120147       0.50490151
Cl       0.98725396      11.03900002      12.42549993       0.05529954      -1.05593822      -0.04424290
Cl      11.09249996       9.55793002       7.03050994      -0.91847059       0.34976501       0.94221223
Cl       1.18378994       3.99217996       4.63783996      -0.14627545      -0.03483672      -0.44389621
Cl       4.72069995       3.88569994       3.10430006       0.05782039       0.26199978      -0.99067916
Cl      11.16329994       1.70950004       3.07295999       0.36787189      -0.35954305      -1.16643753
Cl       4.93685995       8.97051001      10.99980003       0.21199294      -0.15161569      -0.21062452
Cl       6.09105002       0.67262899       2.81644000       0.79710395      -0.80736536      -0.02833222
Cl       3.25814995       5.36139002       8.36935994       0.03623809      -0.12348165      -0.27219182
Cl       1.50173001       1.50383005       0.02083748       0.64736177       0.85069197       0.56726944
Cl      10.39509995       8.68294005      12.51270003       0.22185944      -0.53991892      -0.06658366
Cl       2.31776005       9.07317997       2.59555995      -0.77138623      -0.48093175       1.09991091
Cl      12.74879995       0.51520103       9.04994996      -0.11962023      -0.18560885      -0.40064913
Cl       4.25397004      11.65809996       7.86734001      -0.80951175      -0.52437155      -0.07488167
Cl       9.07674003       0.29335301       6.62794996       0.51559537      -0.00352071       0.25594427
Cl       6.17161000       1.36288995       7.10228994      -0.38467814       0.63560801      -0.24751631
Cl       9.66045003       4.86835005       2.54555999      -1.19349863       0.06550998       0.12732716
Cl       7.30928006       9.76374995       5.54320996      -0.21139387       0.18030718       0.79958968
Cl       1.22119005       9.53459996       7.12301996       0.55962874      -0.44259563       0.41187988
Cl       5.81531006       8.46782002       1.32141998      -0.00086597      -1.44249916       2.40597666
Cl      10.11459996      11.18209999       3.43943999       0.96409373      -0.45396205       0.06044368
Cl       0.60269096       5.71158002      11.81310006      -0.03621405       0.11076161       0.18454532
Cl      11.18029997       1.91246001      12.16490003       0.02536542       0.28663637       0.04479356
Cl       4.12458995       2.76880993      10.97129994       0.64103548      -0.23705492       0.26650030
Cl       7.99384002       1.34848996      11.20639999      -1.20502359      -0.03130954      -1.64031851
K       12.70120006       8.97779001       1.56300001       0.47795413       1.29008512      -1.64379035
K       11.15449997       3.16898997       5.29362005       0.28546246       0.21617086       0.63664666
K        3.74673998       9.79919997       0.52145298      -0.99386774       1.25073094      -1.52729183
K       13.14649998       8.28998999      10.55119996      -0.14430512       0.15717416       0.10067838
K        4.32948003       7.87403994       7.45712999       0.27037508       0.73859410       0.25191139
K       13.21926952      11.42070002       5.32784999       0.10180865       0.75375217      -0.26919882
K        6.54924002      12.26300001       9.16297004      -0.00936229       0.69107501       0.39302115
K        4.45930996       1.88507002       0.94243900      -0.86472928       0.18807800      -0.67026255
K        6.38853998       3.27887997       9.08345995      -1.13565676      -1.30382193      -0.54650964
K        5.39943001      12.58510006       5.40726996      -0.29602537      -0.48288540      -0.38347249
K       10.03319998      13.01739993      10.06640002       2.02796534       2.30499741       0.24956225
K       12.30730003       4.92193005       1.81775996       0.78543035      -0.09522670      -0.19430896
K        1.15407996       6.62801004       6.74461004      -0.91038063      -0.50476828      -0.25624708
K       10.46530002       2.94997001       9.36641995       0.20539254       0.13491769       0.00819455
K       12.79240000      12.95280001       0.62959895      -0.78033447       0.12712902       0.69188365
K        7.44927999      10.87160005       2.90431003      -0.42356033       0.25644653      -0.17273977
K        3.81469006       6.86908995       3.79350994       0.10282505      -0.27352382      -0.55610710
K        8.61548997       8.06796000       8.86907998       0.24348771      -0.12974599      -0.00213158
K        8.31491996       7.18353004       4.66152999       0.43017740      -0.34366949      -0.27955156
K        1.47018997       1.98948004      10.46790005      -0.28025005       0.68010856       0.06401292
K        1.90414005      11.77030003       9.88826996       0.17353952      -0.01483917      -0.78449069
K        8.64292005       1.66736001       0.42896096       0.70643148       0.07156185       1.83074190
K        7.59298000       9.21480006      12.98520003       1.38483735       0.75306823      -2.01864239
K        7.51518006       2.87248995       4.10652997       0.08510179       0.08081847       0.19215579
K        9.11981004       5.43006005      12.80719993       0.27497448       0.18254580       0.07713757
K        4.29494001       3.39738996       5.76507995      -1.00824460      -0.69697281       0.77632119
K        4.15097994       5.62415004      11.13929996      -0.20045350       0.42872821       0.27091445
Li       0.94080997       2.34552006       2.82404001       0.16014847      -0.88265467       0.22326224
Li      11.59689997       9.07595999       5.11720995      -0.23650773      -0.45066109      -1.00088647
Li       8.92519994      11.34530001       6.91559998       0.50977668      -0.44774632      -0.26903904
60
Lattice="13.23443393 0.0 0.0 0.0 13.23443393 0.0 0.0 0.0 13.23443393" Properties=species:S:1:pos:R:3:forces:R:3 energy=-579.55739076 stress="-0.005531991545085964 0.00011542274902729626 -0.0013910246355281234 0.00011542274902729626 -0.0025974287016634016 -0.0008341789554591409 -0.0013910246355281234 -0.0008341789554591409 -0.005288020452932077" free_energy=-579.55739076 pbc="T T T" config_type=melt 
Cl      12.51179996      11.89190000      11.45749995       0.68251356      -0.20389205       0.47803093
Cl      13.12860001      12.82730000       2.98042999      -0.34300492      -0.39303306       0.82133624
Cl      10.51740001       6.35392002       6.96459002      -1.58786110      -2.50837180      -0.22502714
Cl       5.75108004       7.31935001       6.71009000       0.44132971      -0.58694368       0.15617098
Cl       8.33386995      11.76439999       1.13832000       0.30785888       0.40425688       0.03706171
Cl       8.88865001      11.45779998       9.35194995       0.18652078       0.71542606       0.42914944
Cl       7.28564005       7.45652994       3.52875998      -1.90825164       0.13070689      -2.16132690
Cl       4.49598998      10.66410001       8.78805997      -0.14199991       0.42749090       0.09850887
Cl       2.32725006       3.71977005       3.24392995       0.30004461      -0.04388565      -0.45484211
Cl       8.80871998       9.96796997       5.65188002      -0.06690932       0.03674574       0.24117522
Cl       3.51789994       9.71865997       4.34820000       0.08362128      -0.14217005      -0.07575544
Cl       9.87056997       8.02817001      10.30470003       1.99355255      -0.68479968       0.99170672
Cl       2.62895003       7.50082996       0.39893494      -0.10785694      -0.08539269       1.05593959
Cl       0.93505100      13.23099999       7.81777996       0.63636696      -0.47774450      -0.33236782
Cl       1.48938003       5.95682004       6.07843998       1.16743961       0.54842304       0.21492393
Cl       4.89834999       3.17749997       7.04177006      -0.25369543      -0.26299818      -0.48069778
Cl       5.00909005       3.04132996      12.34930003      -0.41748240       0.08229434       0.20462483
Cl      12.80690004       3.76490000      10.41259997       1.04109281       0.00103368       0.95373919
Cl      11.78820000       2.22516996       7.88050006      -0.55871201      -0.05174637      -0.80590294
Cl       8.84477998       1.45825000       5.06353002       3.40642362      -1.98633622       0.82026311
Cl       6.68252996       8.29518001      12.29629996      -0.62408328      -0.35002744      -0.00473664
Cl       6.99422999       3.91006004       9.60782000      -0.09857177       0.30040105      -0.60104779
Cl       3.34462996      12.92309996      12.92659994       0.07370897      -0.03624196      -0.09475399
Cl       1.42053994       7.84311001      10.09150005       0.51689732      -0.15256925      -0.60812122
Cl       9.20362001       2.68187003      12.23129997       0.27228415       0.20859682       0.42614630
Cl       6.13021005       0.30287505       3.25161995       0.23467452      -0.29335929       0.82685518
Cl      11.60449997       3.80868004       3.76366999      -0.27030939      -0.37784218      -0.14839158
Cl      11.34319997       8.28317995       1.29538004       0.26949124      -0.13676609      -0.63268172
Cl       7.35626005       4.07871000       3.12641003      -0.30576351      -0.55069318       0.21631793
Cl      11.75490005       8.30740002       4.41990006       0.04623248       0.28639601      -0.04677326
K        6.81937003       5.11657006      12.12019994       1.10431530       0.51472392       0.41159537
K        3.38628998       1.70370997      10.51169994      -0.38813217      -0.36638485      -0.48937992
K        6.87962006      10.68699994       3.44263995      -0.35352537      -0.26939486       0.18568761
K        7.73925001       8.81483006       9.17742006      -1.73516150       0.59153246      -0.74297142
K        1.70165003       2.15820002       5.63443994       0.01131023       0.41576876       0.11790705
K       10.76710003       5.37652002      11.28740002      -0.83210859      -0.08796090      -0.09837386
K        3.97977004       6.25318004       3.43385003       0.44615102       0.01565737       0.28669980
K        4.62282999       1.92107006       1.76840002      -0.61966874       0.54836159      -0.20281369
K       12.85010001       4.71621996       7.71000998      -0.26013567       0.49856599       0.14668353
K        0.05681490       7.29130995      12.45550001      -0.65466157       0.07245424       0.06677101
K        7.25740002       0.72258501      11.46090001      -0.06155552      -0.25738278      -0.20456124
K        9.51550003       6.14295004       2.77504997       1.06175979      -0.39663279      -0.16547900
K       11.72300004       0.64293105       5.61700000      -0.11538164       0.07576905      -0.17580004
K        3.76045006       5.92058005      11.61529993      -0.07111519       0.05328828      -0.42046566
K        0.60380199       0.54347494       0.48526500      -0.05627762       0.13437526      -0.60878886
K        3.33208002      11.96059994       6.30783997       0.31258853       0.23071034      -0.00271533
K        1.57149996      10.73010000       9.63965000      -0.23730530       0.50657446       0.41504788
K        3.30667996       8.52102006       7.43527002      -0.54433136      -0.58063070      -0.28584794
K        9.29775998       1.62709994       2.07948994      -0.18950595       0.30094795      -0.14352120
K        0.18951696       5.98617997       3.65691006      -0.41193078      -0.46711832      -0.47758626
K        4.16214001       9.90767005       0.40527595       0.58296977       0.41305857      -0.25914799
K       10.17029998      10.43109999      12.55670002      -0.21745413      -0.52279293      -0.53121987
K        8.14282004       4.05585996       6.71769001       0.60325987       0.36425284       0.51326594
K       10.29769994      11.37879994       3.55252995       0.22925443      -0.40809406      -0.26776421
K        0.90011898       9.07929004       3.19086000      -0.03679951       0.56133747      -0.47145622
K       11.38969995       8.64344003       7.12467003       0.49484962       2.34117269       0.98553831
K       11.07370005       0.46964003       9.87584998      -0.43981287       0.07377198       0.10241399
Li       7.27401995       2.36424997       4.84578997      -3.71055761       1.24830346      -1.51765255
Li       5.10869994       5.30517001       7.54155006       0.22161953      -0.11213881       0.01792947
Li       8.06428003       7.88022995       5.21212995       0.89179157       0.69094625       2.51648149
60
Lattice="13.23443393 0.0 0.0 0.0 13.23443393 0.0 0.0 0.0 13.23443393" Properties=species:S:1:pos:R:3:forces:R:3 energy=-578.50919096 stress="-0.004186883844710262 -0.0014064230314850444 0.0011564614512192988 -0.0014064230314850444 -0.0069748053210389235 -0.0035675875716785392 0.0011564614512192988 -0.0035675875716785392 -0.003037552518754117" free_energy=-578.50919096 pbc="T T T" config_type=melt 
Cl       0.84862195      12.06429994       4.97651997       0.04746868      -0.43443469      -0.19621117
Cl       5.46200003       8.98867996       0.70020796       0.13337349       0.12050750      -0.34637068
Cl      11.10050004      10.06099997       0.13649598       0.17620704       0.11318909      -0.01532698
Cl       9.93670998      10.63480003       4.26316995       0.04418271       0.55408956       0.07403938
Cl       4.75862997       0.84034500       9.04737997      -0.94222531       0.97726568       0.55169592
Cl       5.47199997      11.28360002       6.50167003      -0.01640199       0.28041217       0.22133186
Cl      11.41560000       8.23405002       8.87036002       0.59857010      -0.58928929       0.91503192
Cl       4.93112004       7.01688006       5.50172994       0.20204603      -0.11912543      -0.35051252
Cl       9.56039996       1.36969006      10.73159999      -1.32214975       2.16324587      -0.62040391
Cl       5.10888999       3.20998998      12.05519994      -0.65629179      -0.06552279      -0.54085199
Cl      10.29669995       6.27600004       4.55072998      -1.00140538       0.37943306       0.14045494
Cl       7.78041995       6.35772002       9.64750993      -0.42397083      -1.26205403      -0.97419094
Cl       7.89016993      10.75900003      10.46439994       0.26929091       0.03022163      -0.09782878
Cl       8.94917001       6.21935005       0.14057695       1.07423982       1.53256213       0.94754208
Cl       3.74454002       9.29199003       9.50224005       0.00695216      -0.62697654      -0.59490459
Cl      11.56390004       2.70392998       4.20239995      -0.42201833      -0.41057195       0.35227739
Cl       0.55522606       8.02383997       5.63998001       0.07542675       0.38706814       0.03409381
Cl       5.08200000       5.25920999       1.46856995       1.37073314      -1.66325690      -0.80638491
Cl       2.35878004       7.01337003      11.99030000       0.09011606      -0.18042160      -0.11296112
Cl       2.05200004       0.82925600       2.34406004       0.51629575       0.42472996      -0.21874946
Cl       1.50373000       3.71868999       6.28887000       0.75440369      -0.54892463       0.12116070
Cl       6.45016995      12.45839994       2.80118004      -0.13205563      -0.03024498      -0.32643014
Cl      13.03250003       0.75037004      11.79219998       0.46172403       0.46120865       0.70403600
Cl       6.68420993       2.34683993       5.99093999       0.00301630       0.04022828      -0.34707517
Cl       3.35875997      11.58499996      11.58940001      -0.57375791       0.21172525       0.96024856
Cl      12.99089996       5.66237995       2.10665997       1.32069766       0.94482393      -0.95240318
Cl       8.68405003       2.19051004       0.99843799       0.94812013      -0.17466652      -1.30342340
Cl       1.83399000       9.19673995       1.35287002      -0.59861097       0.68202757       0.19545352
Cl       1.11155005      12.62860006       8.37825003      -0.22565446      -0.04125596       0.46910193
Cl      13.15252999       4.23734997       9.36122001       0.00059974       2.33356544       0.96147079
K        1.05125000       6.66077996       9.14752996       0.38834854       0.98760896      -0.48160595
K        9.32382996      12.12629995       1.51231001      -0.47675695       0.00511996       0.06897930
K       10.92370005       4.15823995       1.49438000      -1.03928089      -0.85642873      -0.00489175
K        9.98862006       9.27595995       6.90933996      -0.20576365       0.22797030      -1.10118950
K        3.01632998       9.63326995       6.02744996      -0.21761235      -0.54097069       0.62451469
K        9.39151998       7.97571004      11.00449997       0.69633440       1.10705525       0.96059539
K        3.82684999       7.25784006       2.25201998      -1.49956317       2.15378992       0.84724074
K        7.40884006       6.93809005       2.81922003       0.28518309       0.32456656      -0.16278029
K       12.00869997       9.21386994       2.90286999       0.43932824      -0.80489196       0.40284383
K       10.20990006       4.73766001       7.18637994       0.11738149       0.15251603      -0.03886801
K        7.78515999       4.18085998      12.39549999      -0.71555495      -1.71287409      -1.03151495
K        5.69461003       3.77385005       8.10187998      -0.32540429       0.15295522       0.75830338
K        2.23858994       4.05685003       1.34395002      -0.10087898      -0.46864081      -0.37160485
K       12.97790004       5.41814999       4.80326998       0.26589960      -0.37241908       0.66039582
K       12.57690001       1.97232001       8.84615000      -0.58995211      -2.81321774      -0.26652345
K        5.56152999      12.41930000      13.00110001       0.74645784       0.08629663       0.35094541
K       13.17910698      12.21379994       1.76142997       0.19465399       0.14670911      -0.33010389
K        7.64481001       1.86009995       3.27566004      -0.60161621      -0.37437241       1.65733544
K        5.34388999       6.66336001      11.09160001      -0.79039075       0.13608300       0.87580654
K        6.80995995       8.86135002       8.62572998      -0.90640607       0.57341214      -0.55082478
K        4.79124994       4.32445002       4.01685993      -0.19667018      -0.51927105       1.29725730
K        3.02669995       0.56390600       6.56307000      -0.00123007       0.38224900      -0.34105574
K       11.01659995      12.61469993      10.76000002       0.37860812      -2.80587557      -0.11379851
K        3.28726994      11.52390002       3.57618994       0.68999300       0.28728240      -0.85306576
K        2.45859004       1.18701994      11.10029993       0.59071468       0.29511401      -0.03623274
K       11.76809994       0.10786606       6.00366001      -0.01635160       0.05819822      -0.44354136
K       12.79350004       7.39077995      12.82540006      -0.01678364       0.20120076       0.17224023
Li       2.61114005      11.34819994       9.64548004      -0.10907725      -0.27828145      -0.76158695
Li       6.08063994      12.90189998       8.12496004       0.90656043      -1.10880669      -0.78973917
Li       2.93607995       9.35818999      12.44329998       0.33090781      -0.11163576       0.15855969
60
Lattice="13.23443393 0.0 0.0 0.0 13.23443393 0.0 0.0 0.0 13.23443393" Properties=species:S:1:pos:R:3:forces:R:3 energy=-578.55575552 stress="-0.015006809141925035 -0.0010609341741307228 -3.885608439905654e-05 -0.0010609341741307228 -0.006554960023543493 -0.000763980159309038 -3.885608439905654e-05 -0.000763980159309038 -0.0058230978900076094" free_energy=-578.55575552 pbc="T T T" config_type=melt 
Cl      12.18599996      10.19809997       9.84612001       0.19366621      -0.47728545      -0.61205041
Cl       6.38166998       3.03943995       9.13366001       0.08606938      -0.30201322       0.22817543
Cl       0.75518605      12.94220003       1.25773999      -0.57205888       0.41623642      -0.21883556
Cl       0.78634401       2.18903003       4.71830995      -1.41607169       1.75381359       0.08251369
Cl       8.32299998       9.20524003       8.31407997      -0.43370543      -0.66701385      -0.41556590
Cl       9.94389005       2.94549002       2.95216005       2.69581865       1.45995027       1.85181823
Cl       6.06039999       6.61732006      11.80930006      -0.33586640       0.05851542       0.11627666
Cl       4.86642999      12.06820000       1.13384994       0.04165727      -0.21310714      -0.02121720
Cl      11.30820005       4.75623004       8.58702998      -0.21216227       0.14363191      -0.12755465
Cl      12.41480003      11.33870000       4.24378005       0.29120327      -0.67398953       0.58342554
Cl       1.34505999       4.86136002      10.14080003       0.56204576       1.09713337      -0.63862069
Cl       2.54500997       6.31764999       6.66534994       0.74883626      -0.12257433      -0.69420360
Cl       7.52739001      12.64559995       3.68776006       1.43334053       0.22553741      -0.42780426
Cl       0.37801699       8.69170998       0.51815800      -0.01223740       0.39827722       0.18150622
Cl      11.67199995       6.50604997       4.67523001       0.93077342       0.02360894      -0.33982292
Cl       4.25154999       2.44091995       4.71405005      -1.08796772      -0.50967797      -0.17201786
Cl       8.02679005       8.05514999       2.92051003      -0.19086915       0.11034071      -0.16405706
Cl       9.34536000      12.14690001      11.01450004      -2.88659134       0.14890660      -0.03985626
Cl       0.39180303       3.22299003       0.66350001       0.53963116      -0.50171789      -0.09993695
Cl       3.34887994       9.99813006       9.98218005       1.78124875       1.26693275       0.48850905
Cl       6.68618994       2.99532005       2.04754004      -1.57705372       1.20463052      -0.38929091
Cl       7.01148994       6.07444993       6.09039994      -0.01012752      -0.07143025      -0.07348049
Cl      12.10679994       0.72237497       9.62932000      -0.36398415       1.04470541       0.42635958
Cl      10.74439993       6.80702005      12.97970006      -0.09029210      -0.47727606      -0.54776434
Cl       9.02391995       1.86457994       6.67535994       0.11217161      -0.47578601      -0.02927003
Cl       2.51749002       0.02747151       7.09823994       0.19321870       0.03870060      -0.51633163
Cl       2.94440004       7.31305002       2.34649002       0.07468795      -0.84645718      -0.09796949
Cl       3.22579997      10.21599994       4.58391996       0.02196939      -0.27499177       0.21901993
Cl       9.86969001       1.90223005      13.17829995      -1.99339153      -0.52533517      -1.28694657
Cl       3.08862003       2.29100002      10.84470000       0.01617643      -0.23164759       0.26954951
K        5.14273004       5.36299006       8.07584997      -0.66285343       0.24874366       0.66753175
K        7.89139002       4.54807000      11.67310000       0.15832955      -0.23740834       0.01029739
K        0.68817204       8.78757996       3.72630005      -0.55520791      -0.18720602       0.14488177
K        0.05906607       6.97704997       7.56644006      -0.79934654      -0.17290866       0.61184609
K        9.03331005       1.99846000       9.59463003       0.50351194      -0.31161750      -0.02609841
K       11.72789995       0.75311195       4.01563998      -0.69720229      -0.04692195      -0.38139692
K        2.17604004      10.64829995       1.84865998       0.47172431      -0.24265699      -0.18082740
K        5.34069996       7.41564004       4.09757000       0.02661488       0.51392267      -0.05774110
K        2.47622995       4.80394004       3.91311005      -0.32471212      -0.28123219       0.68410658
K        4.27702998       0.32896396       9.34352994       0.71934069       0.17355704      -0.01028836
K        0.08236609       5.83605000       1.12861003      -0.34201415       1.37991786      -0.00565643
K        7.67032005       8.96346003      11.09129999       0.15429538      -0.07792528       0.06746491
K        9.41489001       5.64476995       1.88582994      -0.36354824       0.13601486       0.43405214
K       10.60259999       4.14549003       5.96685994      -0.18953133      -0.30570097      -0.46200485
K        3.96931999       4.52428004       0.88813798       0.32930048      -0.06447469      -0.68966715
K        9.27745002       7.64431002       5.55560997      -0.22948813       0.90843666       0.32555822
K       12.32480005       3.77159993      11.00199999      -0.32941106      -0.38767191       0.54897686
K        9.62125004      11.56269994       8.34669001       0.53621220       0.54057248      -0.65596207
K        4.98873006      12.47819998       4.30225997      -0.52269991       0.35012313      -0.19582323
K        1.36659996       8.91630997      11.03079997      -1.85003796      -1.47198712       1.06455404
K       11.61229995      11.93149994      12.01090006       2.25751296       0.10250157       1.35528007
K        6.72377997       3.34928994       5.32042005       0.97481805      -0.50626654      -0.03710906
K        3.52253000      10.46619996       7.46324999       0.26304311      -0.19730037      -1.54555451
K        7.87515004      11.43970004       0.89853601      -0.17713303       0.12464058       0.44725993
K        0.95067703       2.61523002       7.69659000       0.06394658       0.48862077       0.72892172
K        2.90577997      13.22089855      12.56539994      -0.17057184       0.14213520       0.14906390
K        0.02916605      12.18019997       8.04608004       0.14541263      -0.81431396      -0.74867537
Li      11.65349993       2.45640001       0.46912005       1.46861620       0.16866826       1.10110911
Li       8.46375004       2.09418003       2.14724006      -1.00432510      -2.08546948      -1.14570806
Li       2.27803001       0.93612101       4.80021997       1.60526865      -0.90741052       0.26705140
60
Lattice="13.23443393 0.0 0.0 0.0 13.23443393 0.0 0.0 0.0 13.23443393" Properties=species:S:1:pos:R:3:forces:R:3 energy=-579.40853159 stress="-4.594539019252677e-05 -0.0021261808316108467 -0.0014095568682511138 -0.0021261808316108467 -0.007382000989437981 0.0008790934355893456 -0.0014095568682511138 0.0008790934355893456 -0.0025540527535327273" free_energy=-579.40853159 pbc="T T T" config_type=melt 
Cl       3.02705000       0.61348496       2.91048998       0.60440125       0.56614461      -0.25826045
Cl       0.67914403       6.94883998       9.00246005       0.08841792       2.31767976      -0.00239072
Cl       8.89402001       9.35383004       4.59535994      -0.98821766      -0.61138852      -0.43388410
Cl       1.51184006      11.90999994      12.79789996      -0.19032319       0.18874257      -0.29859852
Cl       1.59285001       6.64466002       5.52962998       0.27984351      -0.03379725       0.08597182
Cl      11.21790006       4.41328999       7.75618995       0.25936915      -0.31319147       0.31282012
Cl       9.57991003      10.71709994      12.16879996       1.06935731      -0.07789631      -0.04355919
Cl      10.60770001       9.76936003       7.99416003       0.12897226       0.23672680       1.00604456
Cl       7.85437000       6.41815996      10.97780003      -0.00049299       0.22439602       0.06504571
Cl       5.23860001       9.41778994       7.65619004      -0.24465867       1.27044127      -0.43054677
Cl       6.90603996       4.75336002       7.04682006       0.27346458       0.73085492      -0.27614513
Cl       4.30332005       7.64315002      12.03180001       0.84266968      -0.28625333       0.25090402
Cl       7.07080006       2.10476996      10.95500001      -0.49066855       0.49287786      -0.02735842
Cl      11.91869999      11.50440001       4.50842003      -0.20762051      -0.22865215      -0.03816975
Cl       3.10170002      10.18819995       3.20217002       0.14174805      -0.18070739       1.03145933
Cl      13.14899997       2.28222003       3.88992001       0.00666988      -0.83869270       1.89732051
Cl      10.11339999       4.03974995       3.54012995      -0.66005060      -0.17314663      -0.33958386
Cl       5.43831000      11.83580003      11.36269998      -0.23455229      -0.14968864      -0.53023624
Cl       9.67861999       0.56964498       9.29054006       0.49145256      -0.64852543      -0.67051394
Cl       2.81353994       4.31478001      11.40000004       0.21026994      -1.36105185       0.26597760
Cl       6.97064993       0.02016610       2.00579003       1.14390283      -1.32083936      -0.87714347
Cl      11.13349997       2.69748004      12.49639997       0.55327476      -0.67577222      -0.12810910
Cl       1.59274004       8.44673002       0.92728504      -0.67144144       0.10370434      -0.38274533
Cl       3.04435998       1.41011994       9.40541005       0.01053388       0.50597137      -0.42099786
Cl       6.31989005       0.47699004       5.74644005       0.13372918      -1.02784546       0.91801918
Cl       1.46492995      11.57889995       9.08554000       0.49143707      -0.51353827      -0.64671321
Cl       7.09603998       8.48571999       1.76724002      -0.57303962      -0.03645626      -0.10622213
Cl       6.02514995       5.10715998       1.89549995      -0.33964197       0.07361370      -0.19436354
Cl      12.43159995       6.52121994       2.80454000       0.11588341       0.70092810      -1.07480365
Cl      11.88369994       5.67268005      11.57359995       0.16969510       0.21306026      -0.28936612
K        6.02516001       2.22621005       7.93416000       0.02001150       0.02557929       0.94632406
K        8.05841995      11.19349999       9.90487004      -0.46481704       0.39676835      -0.33568959
K        5.80345994       1.83167001       3.47630001      -0.76130128       1.30352906      -0.25364910
K        8.88308996      10.55410002       1.62757995      -0.05566916       0.51496131       0.69610691
K       10.12729998       0.59520596       0.72957901      -0.92602015      -0.25788353       0.12389347
K        9.68670000       7.08861996       7.95860003      -0.32750990      -0.83280733       0.08392128
K        3.30589000       1.30730996      12.40729994       0.37748804      -0.40513673      -0.09816021
K        2.09762006      10.14660002       6.41892002      -0.34402852      -0.52221372      -0.30295846
K        0.61795503      12.76950006       2.16173004      -0.14975587      -0.31872544       0.67995526
K        2.83299006       6.52172999       2.82475003       0.00574884       0.23131549       0.17778545
K        9.56221004       3.36805002       9.83004004      -0.41098913       0.19668961       0.66369607
K        4.35501004      12.29989999       8.29172000       0.20424629      -0.07423846       0.44660777
K       11.95459998       5.41345004       5.29123997       0.53943832      -0.03997230      -0.26446532
K       13.13390001       3.27281000       1.55270998      -0.12606270       1.04480810      -1.23672400
K       10.27430000       1.04232006       6.06907000      -0.00667006       0.16422671      -0.16374580
K        5.72305004      10.20519998       4.86705003       0.21032225       0.44214881      -0.57116548
K        5.53128997       6.95474003       8.50582998       0.01298367      -1.25132785       0.79733620
K       12.20560002      12.14659999      10.09000006      -0.64504887       0.29023971       0.30039163
K        4.42315004      10.87560002       0.66995299       0.01521318       0.10815359       0.31760359
K        1.55170998       2.58636003       7.25331997      -0.16075873      -0.15913776      -0.87500575
K        5.30144994       4.91854997      12.20590005       1.23356079      -0.70957433      -0.06635141
K       10.13290000       5.03061996       0.40631896      -0.76497329       0.41342897       0.82786230
K        0.78636611       4.49265001       9.58212998      -1.00822839      -1.63116946      -0.02456778
K        1.40238004       6.45578003      11.96849998      -0.41068478       1.09155921       0.55106832
K        7.51540994       6.61977995       3.97229999       0.30467386      -0.57380839       0.12869500
K        2.47845995       9.49380998      11.16570001      -0.33496605       0.90712910      -0.34412630
K       11.45290006       8.38760996      10.81040006      -0.07402108       0.18114870      -0.05033719
Li      12.98408992       8.78532005       2.43679002       0.54274256      -0.62210740       0.01983779
Li       6.37429006       7.33193000       0.04616607      -0.01539719       0.02362633      -0.23519004
Li      10.27360003      10.01200001       5.92565996       1.10608802       0.91509205      -0.30280004
60
Lattice="13.23443393 0.0 0.0 0.0 13.23443393 0.0 0.0 0.0 13.23443393" Properties=species:S:1:pos:R:3:forces:R:3 energy=-576.64195118 stress="-0.006494463746952211 0.00013008671284688367 0.002992157342557074 0.00013008671284688367 -0.007007999688819326 -0.0004344878154896617 0.002992157342557074 -0.0004344878154896617 -0.008802821721963302" free_energy=-576.64195118 pbc="T T T" config_type=melt 
Cl       4.69996001      11.15710001       0.79748700      -0.62413360       0.69115830      -0.86668545
Cl       8.35677994      12.68329996       1.62807995      -0.86605100       0.38034681       1.37061516
Cl       3.74029997       9.65581004       9.35936004       0.10827342       0.51634299       0.26557272
Cl      13.05680003       8.97807997       2.94035004      -0.08542967      -0.48609809       0.40196464
Cl       0.35655894       6.17769003       6.18242002      -0.14199447      -1.05705072      -1.21132864
Cl       4.24091003       1.18149999       4.15705997       0.23313854      -0.03047247       0.07340530
Cl      11.51810003       4.49905005       2.34121001       0.65017605       0.10024274      -0.30255933
Cl       3.33690000       6.97338999       1.18635001       1.17184395       0.58412402      -0.61230634
Cl       8.77588006       0.85905994      11.13670005      -0.55363555       0.36189092       0.12142866
Cl       2.09288001       6.03850005       9.33194994       0.25298769      -1.39543255       0.95303772
Cl       4.47855997       9.04878004       4.49154996      -0.02391567       0.23563118       0.37287877
Cl      12.40019993      10.36629997       6.93087001      -0.24096028      -0.17015325       0.27807905
Cl       7.97889001       7.86735006       0.17319401       0.13415549       0.19446388      -0.04474121
Cl       7.96743004       4.27911004       3.19303998      -0.57138228      -0.52217535       1.00086131
Cl      10.77950004       1.61272999       8.70371004       0.77079151      -0.12392207      -0.49993630
Cl       0.65468707       9.01774000      11.32380001       0.44269529      -0.03685182       0.21259726
Cl       8.04449005      10.92120006       6.85043006      -0.91902120      -0.74193752       0.35342516
Cl       8.57077995       8.87635998       3.54378001       0.88931830      -0.13192702       0.98479148
Cl      11.82740000      11.41510000      12.79359996       0.03938257       0.92710456      -0.04938608
Cl       1.62691995       0.76510896      10.04290003      -0.42359416       0.03175329      -0.03586115
Cl      10.64970002       4.65590006      10.98579998       3.09982520      -2.78507521       0.36412366
Cl       6.76907998       5.78220002      10.43450005      -3.77051195      -1.01698342      -1.62419429
Cl       4.90670000       4.55370006       6.35124005      -0.09534019      -0.10013760       0.74558482
Cl      10.50459993       0.68862796       3.56979004      -0.41739679       3.00255611       1.45210592
Cl       9.35711998       9.39911999      10.15220004       0.00385739       0.00261407      -0.46219274
Cl       4.03342997       0.95060398       7.70263999      -0.53168626      -0.77379658       1.63972742
Cl       9.89652004       6.81621997       7.75134999      -0.63531680      -2.46022737      -0.06846851
Cl       1.16715995      12.15450002       2.95430998       0.69483506      -0.99541688       0.00254959
Cl       7.99343994       1.48308005       5.75219001      -1.12012263      -0.36989860       2.19554036
Cl       3.40498997       2.96381005      12.75480005      -0.23614740       0.01808393      -0.32884083
K        4.00405999       3.40891993       9.47924999       0.22340251       0.06211745       0.40074178
K        5.59359001       0.86338999       0.85459703      -0.09122032       0.30184294       0.26384833
K        7.96870995       0.26278993       8.35281994      -0.03234319      -0.24842599       0.42587494
K        8.66112005      11.65590000      12.51229995       0.31072771      -1.37822843      -1.38973418
K        9.03765994       3.98837996       8.58742000      -0.19363243      -0.15921485      -0.17347009
K        2.05188000      10.02420004       1.28694004      -0.22188521      -0.53960280       0.39124853
K        4.05792996       7.35055998       7.89774003       0.20663189      -0.58617359      -0.94721052
K        7.14679006       8.06210998       8.08894001       0.44339688       0.53330956       0.40664592
K       11.54499994      11.99440003       2.61009996       0.97685075      -3.40013443      -1.76315135
K        0.79571002       4.63849996      11.72439997       0.10628200       0.10552999       0.31555111
K       12.40650005      12.33049999       9.47211994      -0.48421116      -0.36240340       0.27455684
K       10.19920002      12.09380002       5.81192998       0.56843039       0.49090224      -0.24386568
K        6.55627001       9.67296994       2.07987996      -0.22879835      -0.34011675      -0.45875428
K        5.67559996       6.46520004       4.29833001       0.52582836      -0.47852939      -0.68848022
K        5.84097004      11.84659999       4.52894002       0.06458620       0.16195865       0.10639688
K        2.58095006      11.71660000      11.78650004      -0.06929040       0.03158156      -0.17546956
K        8.99285000       6.37322006      11.02879998       0.94924083       4.24736715       0.90395960
K        0.51170396       3.65941005       7.83640002      -0.20267090      -0.03294436      -0.14652984
K        0.52930999       7.89453002       8.12344999      -0.55495825       1.65277883       0.95704218
K        8.94084000       5.20004996       0.90224602       0.35913841       0.04088782      -0.50532727
K       11.34250000       1.70129998      12.19650002      -0.26823510      -0.04718779      -0.10798032
K        0.31937098       1.30032006       3.10314998      -0.29110702       2.08685954       0.20634751
K        2.52095003      11.84149997       7.80009002      -0.26938804      -0.21523368      -0.29525596
K        3.71667002       7.85733994      11.90130002       0.24362318       0.09789478      -0.86219685
K       10.56780005       7.25875999       4.64154004       0.70611927      -0.66628865      -0.29026486
K       11.43699995       8.77815995       0.69419397      -0.54157687      -0.31969608      -0.67984934
K        1.64534996       6.12190994       2.82969998      -1.83445214      -0.55017564       1.69260370
Li       5.10426998       1.92953997       6.43767003       1.17563180       1.46889811      -2.63020384
Li      10.41670000       8.62842001       7.47486003       0.69818838       3.21477439       0.44264562
Li       8.59901998       1.80485996       3.93165996       0.49105026       0.97889654      -2.11150687
60
Lattice="13.23443393 0.0 0.0 0.0 13.23443393 0.0 0.0 0.0 13.23443393" Properties=species:S:1:pos:R:3:forces:R:3 energy=-579.40946181 stress="-0.0043096745142568995 -0.0011390573338217569 -0.002309487993996823 -0.0011390573338217569 -0.006100270877201905 0.000596641791915979 -0.002309487993996823 0.000596641791915979 -0.00041388295858973" free_energy=-579.40946181 pbc="T T T" config_type=melt 
Cl       6.64548003       2.16014006      11.83730002       0.81902983      -2.76413925       0.39188297
Cl      10.85479999       3.60035006      10.98970004       0.28454087      -0.36135090      -0.06676083
Cl       5.20548005      12.21229995       1.12367994      -0.21682581       0.16185372       0.26633930
Cl      11.48320003       7.03544003      11.00430000      -0.36004661      -0.21116994      -0.40183571
Cl       8.30476002      13.19232937       4.05631006      -0.27327483      -0.36969281      -0.00101223
Cl       1.95374998       4.85206005       3.99495006       0.62250505       0.04334603       0.36064728
Cl      11.47719994      12.66839997      12.04480006      -0.11482995      -0.11197532      -0.11035115
Cl       4.14818999       9.45600000       5.82382999      -1.97200066      -0.11516385      -0.82696309
Cl       2.46946994       8.42043003      10.35749999      -1.11936570       0.53548618      -0.26062704
Cl       1.84580994      11.44279994       0.43496608      -0.76065497      -0.54530669      -0.14679362
Cl       7.51021000       1.44997001       7.95059995       0.27691788       0.08194287      -0.13077807
Cl      12.32760006      11.89329994       7.76515006      -0.51542480       0.54840979       0.44693256
Cl       7.34170005       6.99943006       5.32627999       0.53889643       0.43523826       0.49501796
Cl       7.70445006       5.74933998       2.02063999      -0.31806673      -0.39241289      -0.00447497
Cl      11.69640001       5.43301001       2.10414000      -0.47654152       0.36689956      -0.46630149
Cl       8.14787996       5.68435996       9.70568004       0.21950594       0.62717228      -0.11783504
Cl       4.68122005       4.56630996       7.07086001      -0.10639681      -0.28961864       0.63559105
Cl       4.24780994      12.09710003       9.06418995       0.14282279       0.28480500      -0.34146337
Cl       2.83729006       1.54177000      12.57761189      -2.36660179      -0.87359340       0.85283896
Cl      10.07120001       9.51529000       1.28601006       0.51017069       0.28365893       0.43519763
Cl       4.74510994       4.09575000      11.14009998      -1.27075679       2.22956414       0.49512788
Cl       7.06484006       9.36191006      12.21800002      -0.18514765      -0.38921174       0.24452975
Cl       4.70850005       2.98262995       2.50016006       0.38385219      -0.81675224       0.04727543
Cl      12.22430001       1.72005000       2.73165995       0.06115304      -0.38627119       1.29126077
Cl      13.14289995       8.29532003       7.38351994      -0.72182412      -0.75850863       0.00009454
Cl       1.71969995       2.37835999       8.96997997       0.07480105       0.13636808      -0.44913651
Cl      12.57479997       5.10303997       7.54478999      -0.56037334      -0.53530748       0.05852592
Cl       2.33155999      12.93060005       4.01670006      -0.20341811       0.17147969       0.10826911
Cl       8.39267001      10.34750005       9.02664995      -0.15763374       0.10954717      -0.44337759
Cl       1.83147003       7.31681005       0.07086232       0.22922751      -0.22687256       0.36107886
K       10.12770006       0.98783999       9.33124997       0.49171613      -0.10166346      -0.07229622
K        7.48717996      12.63970004      10.34679995      -0.67185550      -0.01425420       0.38179175
K        4.45686000      10.10979996      11.17169997       0.24003920       1.07124937       0.58572483
K        3.08330998       4.91988996       1.36659996      -0.35220662       0.05969791      -0.39798906
K        4.99592999      13.00340002       5.28386998       0.41894293      -0.19240269      -0.08470217
K       12.08040003       1.94457005       0.08050625      -0.02623071       0.71519290      -0.65244104
K        5.61113000       4.84598002       4.48499998      -0.02212836       0.36698202      -0.65013951
K        4.70031998       6.89818003      10.66279999       1.38314627      -0.44609775       0.51804955
K       12.15289998      12.03340005       2.03748994      -0.02857982      -0.36081978      -0.41933901
K        0.51256394       5.32258996      11.48629993       0.15764339      -0.11336161      -0.01702224
K        7.44178996       1.89884005       2.06620998      -0.14955320      -0.05679777      -0.24122516
K        7.35635004      10.46969994       1.87126002       0.15618776       0.11779230      -0.15623950
K       10.17349994       8.29776999       8.45476994       0.42080174      -0.23257800      -0.04491913
K        8.09409999       4.26541001      12.15370000       0.53700424       1.01710884       0.34496462
K       12.52740005       4.38074996       4.55558001      -0.28640028      -0.08620542       0.14031460
K        2.77622995       6.71640997       8.27621996      -0.63999533      -0.64509538      -1.58101787
K       12.48440005       9.60036001      11.55760005       0.39381547       0.46592227       0.27297976
K        0.93051702       0.40677594      10.90020006       0.00190202      -0.64835569      -0.46303655
K        4.97885995       2.22182006       9.24246003      -0.35787846      -0.60598732      -0.66611973
K        8.26686996       4.60677000       7.15666004      -0.41553157      -0.32780747      -0.28327124
K        9.84979005       7.58705997       3.74263002       0.12065481      -0.31704790      -0.39273717
K        3.31634004       8.88736997       2.08331006      -0.23381656       0.45959976       0.07338001
K       12.93110004       0.19906600       5.48295994      -0.16005257       0.20388621      -0.27035160
K        6.50599994       9.82920998       6.61640000       2.01136072       0.11150768       0.87196667
K        2.51276996       2.49822995       5.93912004       0.07000031       0.53847960       0.04260586
K        1.43232004      10.40449997       7.37039006       1.42811889       0.66565285       0.04108801
K        9.35237001       6.98225997       0.06796610       0.37355591       0.32728994      -0.41894322
Li      11.21949997       5.29030999       9.30096006      -0.08488914      -0.06940827       0.54269263
Li       2.90838994      13.01840006       1.49830997       0.60837695       0.27941980       0.03102971
Li       4.54492999       2.36627999      12.49911793       2.15161205       0.94967711       0.24230320
60
Lattice="13.23443393 0.0 0.0 0.0 13.23443393 0.0 0.0 0.0 13.23443393" Properties=species:S:1:pos:R:3:forces:R:3 energy=-579.2630039 stress="-0.004808609600203199 -0.0012160970049775925 -0.00293944244277416 -0.0012160970049775925 -0.006460326930018326 -0.004300671218482432 -0.00293944244277416 -0.004300671218482432 -0.009702325940967819" free_energy=-579.2630039 pbc="T T T" config_type=melt 
Cl      11.52110001       1.61620998       4.26095001       0.31818831      -0.44086095      -0.44810567
Cl      11.24750006       1.98647000       8.21051999      -0.56365533      -0.13250917      -0.32695313
Cl       7.12412000       9.13692997       6.62223004       0.31586179       1.44726105       0.42501628
Cl       0.96610904       9.20752999       0.07266604      -0.32551412       0.02507699      -0.91270546
Cl      11.87330006       6.90168001       5.84775004      -0.27075261       0.26261381       0.12144256
Cl      12.82710002      11.54959997       2.31801997       0.79149395       0.48065215       0.17974083
Cl       4.11359001       1.78251004      11.68450001       1.71977701       0.31687299       0.25419209
Cl       2.71142000       6.36650001       1.19282999       0.16842364      -0.73104436      -0.12673288
Cl       5.45886003      10.64950004      11.61670000      -2.56468491      -0.24688331      -1.18485307
Cl       3.41997995       8.29734000       4.82435998      -0.17182724      -0.46755832       0.43115020
Cl      11.43859999      10.27749996       7.53661997      -0.00670554       0.85052279       0.74521371
Cl       3.22163999       2.67081994       3.20037000       1.86756863       1.20613369       0.21054079
Cl       6.96757994       1.92562999       7.42028996      -0.34080076      -0.18841328      -0.01904327
Cl       6.76786995       7.16514000       1.51834002       0.27841104       1.42937300      -0.72581777
Cl      10.02340002       9.32912003       0.28068898       0.34215887       1.03376917       0.67860508
Cl       0.74094500       2.30973998      12.69410005      -0.25641120      -0.63223111       0.39722537
Cl       6.63336999       6.66577000       9.08682004      -0.04622949      -1.00125039       0.47132108
Cl       4.19293997      11.65800004       2.05362999       0.25283903      -0.07506686      -0.26465315
Cl       3.08302001      12.71669996       6.43763999       0.11865675      -0.25577686      -0.11803490
Cl       2.74926996       8.09345997       8.73745997       0.00494730       0.00959916       0.26147478
Cl       2.07794006      13.05339998       9.66134005      -0.04799983      -0.26463788       0.61295526
Cl       8.19462001       0.53569204      10.32099995      -0.24763335       0.10569850       0.50011222
Cl       1.94805997       4.65717004      10.36119994       0.04837555       0.31264499      -1.44444365
Cl       7.63011000       4.92131994       4.70021000       0.27890327      -0.04689784       0.07932442
Cl      11.45080002       5.67004004       2.58211998       0.56933503       0.17277654      -0.15459171
Cl       8.74735998       4.23852003      11.23239997      -1.05677138       0.76498030       3.86667150
Cl       7.74035998       1.32432997       3.11679005      -0.09475863      -0.46216844      -0.59606855
Cl       2.87640006       4.22972998       6.54490997       0.13525935      -0.27416863       1.05040516
Cl      11.22950004       6.40190000      10.30390001       0.06551308       0.37952305      -0.00390958
Cl       8.34189994      10.22869997      10.40640004       0.60400253      -0.31057164      -0.41094489
K        1.16164000       5.76180999       5.02271000       0.20677944       0.26359503      -0.76804086
K        1.13268001       1.46458995       2.55788006      -2.02413611      -1.00053756      -0.30442615
K       12.16090006       8.84434999       2.43641005      -0.33508331      -0.92019763      -0.55198037
K       11.38589995      10.59330002      10.85820005      -0.36912178      -0.43419029       0.11951290
K        2.84795000       4.25963001      12.78130001       1.15081191      -1.24775859       0.85724150
K        3.85404000       8.02626994      11.79969993      -0.24429415      -0.00315084       0.06199565
K        5.59071999       9.22153003       9.07940002       0.14897916       0.20782868      -0.28258593
K        1.63897003      10.75620002       7.94888000      -0.33654265      -0.49258056      -0.13790361
K        6.68464998       7.74683996       4.46456006      -0.32326301      -1.05585725      -0.92350084
K        4.78075000       1.55884003       5.58827003       0.05877406       0.75614440      -0.73685439
K        8.69163005       7.29262002      12.20849995      -0.13480433      -0.58159096      -0.58788830
K       10.29530001      12.54869994       2.52072002      -0.60297057       0.53091765       0.19652638
K        5.33141005      13.09209998       9.54383006      -0.00718779      -0.27796165       0.05451235
K        9.59517000       3.52752997       2.89296997      -0.15663327       0.03399276      -0.37454954
K        0.67984295       1.68886994       7.93221004       0.81118752       0.27425811      -0.34657361
K        1.94252004      11.97909996       0.41363297      -0.22892602      -0.03775845      -0.35553852
K        7.22953002       2.02595997      12.64407495       0.16616750       0.02021131       0.07736206
K        4.74199998      10.75850003       4.62352003       0.24304508       0.38012793       0.70045379
K       10.80539995       3.90583997       5.66847997      -0.17232363       0.55842816       0.57841997
K        2.66198000       8.77305993       2.18553005       0.48206175       1.26437467       0.55842567
K        7.21145999      11.17749996       0.06148744       1.58992392       0.11491656       1.21118437
K        8.95222995       3.47721001       8.98646002       0.42038976      -0.69135705      -2.83310902
K        9.28958996       7.74276997       8.13866006       0.21101852       0.00497513       0.40649335
K        8.87999998      12.92570000       7.58311002       0.48174601      -0.18591040       0.10762830
K        0.21068795       5.46867998      12.64150006      -1.23677660       0.51368853      -0.09396760
K        5.39156995       3.40719999       9.42388995      -0.08396330       0.79470843      -0.21886207
K        5.92740995       4.82524999       2.21772996      -0.80869718      -1.43891581       0.76341548
Li      11.64000002       9.05574995       5.93245002       0.14986829      -0.63465966      -0.32189828
Li       2.36376995       5.84948004       8.44480997       0.14219198      -0.15210313      -0.11994659
Li       2.19865993       1.10136006      11.45050000      -1.08419197       0.16890333      -0.28407972
60
Lattice="13.23443393 0.0 0.0 0.0 13.23443393 0.0 0.0 0.0 13.23443393" Properties=species:S:1:pos:R:3:forces:R:3 energy=-574.43134228 stress="-0.009389071962920506 -0.0023723837438734395 -0.0022149084588614664 -0.0023723837438734395 -0.01491634189373387 0.001987822340342067 -0.0022149084588614664 0.001987822340342067 -0.011091818598080994" free_energy=-574.43134228 pbc="T T T" config_type=melt 
Cl       9.21994997      10.00279996       5.03762997       0.32239626      -0.26562999      -0.85252726
Cl       9.53871005      11.32810001       9.09539000       0.12233898       0.01458953       0.32672354
Cl       0.98917600       8.27990998       8.30909998      -0.81835041       0.08081708       1.41573920
Cl       1.00482003       4.87747003       1.32066999       0.02920807       0.58710194       0.29589703
Cl       0.53319602       9.91816999      12.91399996      -0.76587944      -0.04520337       0.54938518
Cl      12.17910005       7.61478002       4.57663996       4.12155386       0.83247797       2.07479105
Cl      13.04409987       1.85513995       8.60990001      -0.05519952       0.59126985       0.20280210
Cl       5.93334003       3.55077004       0.73714606       0.04833639      -0.16747911      -0.17611914
Cl      10.83809999       2.04217003       3.20406003      -0.38043158      -0.01101534      -0.83838578
Cl       8.83339003      13.09819999       0.72730996      -0.68659836      -1.50925260       0.34744680
Cl       3.11695006      11.69199996       9.75200002       0.26207239      -0.16279743      -0.54681709
Cl      10.87940003       5.92108998      12.91119995      -1.73479114      -1.48959136       0.35647879
Cl       4.17361995      11.90069997       1.88746995       0.07632317      -1.05023594       0.88731954
Cl       0.30275806       4.99855001       6.29277998      -1.40485854      -1.18242995      -1.18281734
Cl       1.33749995       0.54292399      12.60320000       0.63117457      -0.51917090      -0.62755816
Cl       2.81565004       8.38912000       3.27814004      -0.41947636       0.17294228       0.41899009
Cl       6.67738997       8.64720999       1.47132999       0.26483809       0.74008777      -1.43515552
Cl       8.62406998       2.97871004       9.61167003      -1.40154796      -0.32047384       0.08479969
Cl       6.24355000       0.05926604      11.23719996      -0.55614122      -0.52026633       0.90306332
Cl       3.68767999       5.33914995       4.52653003      -0.11217608      -0.08434679      -0.41889100
Cl       4.51240995       3.27916001      10.74799997      -1.28525015       1.29116366       2.29276359
Cl       2.96724002       7.27895997      11.93060000       0.86734035      -2.05304383       0.54747713
Cl       9.53343004       5.10171997       6.98188994       0.08662133       0.17397144      -0.41522735
Cl       5.51667003       4.49361004       6.89067002      -0.49682632       0.33266458       1.45029170
Cl       7.26935998      11.64899996       6.72468996      -1.31292691       0.36443865      -0.49516572
Cl       8.59644006       5.88984996       1.89071993      -0.01092685      -0.43460374       0.58822807
Cl       7.67239997       7.80132996       9.94286994      -0.07163335       0.65256412      -0.14764435
Cl       1.37671000       1.11139004       3.94352000      -0.26626230      -0.22750860      -0.45149340
Cl       6.81104994       2.15290995       5.45415003       0.49069695      -1.18654051      -0.29800979
Cl      12.92500003      11.86119995       5.92581004      -0.67042489      -0.19815866      -1.76864778
K        9.65044996      12.80790004       5.80432005       0.43294716      -0.25759440       0.10149027
K        3.58233999       1.97664000       5.36851993       0.32747890       0.77318834       0.26062022
K        7.94866004      10.49850005      11.54499994       0.18411157       0.24818747       0.43077042
K       10.14860001       7.70215005       3.43760001      -3.91288317       0.58466332      -1.92426457
K        9.09703001       2.32586005       0.11244901      -0.15444012       1.83321224      -0.24564567
K       11.92050001       5.08462994       3.65294000      -0.13672932      -1.21318586      -0.29837481
K        1.12101002      11.60299998       1.97212004       0.50828228       0.32307026       0.33255664
K        6.87666997       4.17827000       3.35818997      -0.22976581       0.12023733       0.32550016
K        7.50487996       6.57566997      12.52460004       0.04650798      -0.33243741       0.37847112
K        5.83899996       7.82651006       3.83598003      -0.48425191      -0.39640958       0.99593623
K        6.09845005      10.61369997       9.04585999      -0.44663548      -0.41041828       0.06358605
K        0.45478504       2.11570002       1.29213999      -0.71509888       0.49704824       1.05086284
K        6.64202994      12.87010002       3.68205006       0.03292691      -0.40136527      -0.06579159
K        4.34413002       0.94625104       0.63843002       0.04868405       1.02734257      -1.14046322
K       11.04419996       3.87998002      10.37850000       0.79316291       0.22669967      -0.33907698
K        7.27403001       0.35732403       8.83951002       0.91492194       0.70074999      -0.91212450
K       11.83610005       1.92664997       5.73640001       1.06493644       0.39251925       0.88209941
K       12.70909996       7.14110005      11.81830000       2.19268779       1.34969645      -0.79978361
K        0.11206601      12.35360003       8.38922006       0.35325151      -0.30683338       2.01805885
K        3.66614995       9.08448998       0.62070104       0.35238635       0.67055479       0.57973838
K        9.92330005       8.52431994       7.62968994      -0.08697305      -0.11834440      -0.07456856
K        2.28773998       6.11062004       7.35025995       2.20175299      -0.26393002       0.44688448
K        1.24676996       9.32659000       5.94055995      -0.06653965       0.52608782      -1.58083337
K        3.43223001       4.80034001      12.69569996      -0.19978124      -0.57803003       1.27701821
K        3.31377004       1.34484003       9.90787003      -1.93479224      -2.54470775      -0.74923123
K       10.62529995      11.22779994       1.43441002       0.48464398      -0.48592105       0.32637074
K        2.09049993       9.18524002      10.74250000      -0.80436552       2.66454535      -1.85605381
Li       5.97473006       3.62514001       9.71683005       3.59293326       0.99121481      -2.55245343
Li       1.71783998       6.24160997       3.79059002       0.30834683       0.00844520      -0.24283260
Li       7.60058001       3.97815993       6.78154999       0.45909448      -0.03462627       0.22379675
60
Lattice="13.23443393 0.0 0.0 0.0 13.23443393 0.0 0.0 0.0 13.23443393" Properties=species:S:1:pos:R:3:forces:R:3 energy=-578.51323248 stress="-0.007596816725438515 0.00044161590602084013 -0.001697062567697655 0.00044161590602084013 -0.009824080470067486 7.039984764206591e-05 -0.001697062567697655 7.039984764206591e-05 -0.004106060608171371" free_energy=-578.51323248 pbc="T T T" config_type=melt 
Cl       3.08525001       0.95579704       6.76079006       0.27094577      -0.05125802      -0.46775942
Cl       7.93610996       3.43704006       8.57744004      -0.84462896       0.29015829      -0.58462206
Cl       7.91344996      12.73825396       7.84271999      -0.28067919       0.62277507       0.28266017
Cl      10.64190004       0.96107295       2.00827003       0.79684224       0.10726044       0.36022768
Cl      11.21050002       6.10600003       5.38480993      -0.48446146       0.27898851       0.15357974
Cl      10.21479997       9.21293003      11.29209997      -0.16618449      -0.17590904      -0.12221100
Cl       8.88410993       4.86412006       1.71007997      -0.06266995       0.66103922       0.49556752
Cl      13.13440001       3.60283999       3.96225995       1.83266370      -0.98401398       1.01029430
Cl       0.29981803       8.61008000       7.93437996      -0.05402967       1.22042815      -0.98702633
Cl       6.06100997       8.76864995       2.36164000      -0.99250420      -1.75526716      -0.23781188
Cl       5.14962001       3.68362006       3.36500993       0.15055043      -0.13173502      -0.13581772
Cl       2.60629003      10.36829995       2.59644004      -0.45702749       0.48155195       0.12176207
Cl       8.13222998       9.44370005       7.09512998       1.04378472      -2.50603939       0.44102504
Cl      12.32339998      11.63600004       5.00349003       0.22816017       0.66070125       0.12231287
Cl       4.73393002      10.66659999       8.09836002      -0.50339758       0.07207842       0.39689358
Cl       7.54846995      12.39910002       3.32944001       0.07298872       0.24232573       0.84983301
Cl      10.77900004      12.65719993      11.91290000      -1.44398771      -0.73181228      -0.40390357
Cl      13.17251518       7.09100996       1.82141994       0.05817537       0.34501369      -0.22949491
Cl       5.66824995       7.82434993      11.49660003       0.68087933      -0.18062619      -0.55583419
Cl       4.12460000       4.60518994      12.57329997      -0.55701803      -1.18006862      -0.45111615
Cl       2.25708003       1.80592003       1.05042999      -0.29825260       0.69893108      -0.09937061
Cl       9.49264998       9.30013000       2.97589997       0.00555168      -0.67943232       0.60572257
Cl       7.14339000       3.20625999      13.06560001      -1.69337481       0.84644635      -0.33729447
Cl       3.93320997       7.38920995       5.79628000       0.76139424       0.09358593      -0.26376964
Cl       1.04771005       4.81441999       8.42892005       1.38215901       0.03247589       0.72981551
Cl       6.27097003      11.97939999       0.38096602       0.71894494      -0.00083021      -0.81958949
Cl       1.76208005       8.15217996      11.69060002      -0.44559397      -0.26510704      -0.11507095
Cl       2.24928998      12.56769996      11.34180003      -0.03105132      -0.19029377       1.06156704
Cl      10.34329998       5.20132999      10.49579996       0.03917155      -0.44295346      -0.20963826
Cl      11.66699998       0.86625405       7.83331004       0.88507733      -0.20006525      -0.00965209
K        9.89593998      13.21932524       5.78798002      -0.02361645       0.20988272      -1.07067465
K        7.92805006       7.57069004       4.72620998      -0.02054207      -0.46765160      -0.14382127
K       11.53810004       4.92543995       2.59184001      -1.25271488       0.72013692      -0.49485639
K        9.96402002       1.83374001       9.71583005      -0.67087255       0.30449643       0.55261145
K       12.84619996       0.92488894      12.04329994       1.63011401       0.91630967       0.44576800
K        3.91515000       9.99672006      11.12919997      -0.19579422       0.50036588       0.18330686
K        2.01323996       6.03493999       4.35398001      -0.44921357      -0.28150220      -0.24330680
K       12.54719995       3.75597999       6.78199996      -0.90148548      -0.51942261      -0.54689279
K        9.81750994      11.35149995       1.30134004      -0.12170817       0.80590307      -0.41908726
K        0.39155105       0.92328295       3.30002000      -0.15762712      -0.49910604       0.09443758
K        5.76844004       6.13460996       0.71249997       0.85751536       0.79534469       0.54380237
K        3.13016001       8.19676002       8.27485006      -0.18766607      -0.31248404       0.70824118
K       12.62459995       6.69783002       9.56546994      -0.12205585       0.13463291       0.70098394
K        2.49124005      11.18830005       5.87826996      -0.09020802      -0.19723867      -0.33897078
K        8.82277998       7.49616998       8.99622994       0.05156331      -0.77590939       0.65174456
K        5.98271003       2.07427994       6.04318994      -0.16117425      -0.14678708       0.31015125
K        1.57470997       5.40858996      13.08770006      -0.43588010       0.35004304       0.02801272
K       12.02020003       8.91675994       4.66395004       0.14964721      -0.75708619      -0.03508094
K        1.44229007      13.16100558       8.85530995      -0.37118695       0.16711295      -0.86993513
K        5.24673006       4.55379005       9.86826995       0.25541923      -0.03883860       0.14843986
K       13.21649677       9.91256004       0.22024096       0.46224609      -0.29615904      -0.05275502
K        3.80868004      12.79720000       1.22442998      -0.29765656      -1.22968236       0.24267484
K       10.04040004      10.92950004       8.09474001       1.79974879       0.45679987       0.87507870
K       10.27940003       6.44836001      12.97289994      -0.11174118       0.69747216       0.19580907
K        7.43170995      10.89910001      11.19300000       0.11288779      -0.28496360      -0.23792152
K        8.52170997       1.10074996       0.17256603       0.40839034      -1.38346323       0.18852644
K        6.56972996      10.91410005       5.93784000      -1.97681047       1.77259470      -1.28392028
Li       7.24509001       4.13503006       2.83328995      -0.22583739      -0.46812831      -0.25050937
Li       7.14299998      10.20919996       3.07078994       1.30090522       1.46585006      -0.20299117
Li       4.56225003       2.39575996       0.90674295       0.13292622       1.18312967      -0.28014383
60
Lattice="13.23443393 0.0 0.0 0.0 13.23443393 0.0 0.0 0.0 13.23443393" Properties=species:S:1:pos:R:3:forces:R:3 energy=-577.88455174 stress="-0.005058225113753951 0.002821820785115778 -0.0033277766013947822 0.002821820785115778 -0.008832964459894333 0.0014753362390344524 -0.0033277766013947822 0.0014753362390344524 -0.004006277739089076" free_energy=-577.88455174 pbc="T T T" config_type=melt 
Cl       3.48085001       4.54484000      11.02160005      -0.16424092       0.01208833       0.33439537
Cl       2.19895003      12.23359998      10.27549997       0.40584605       0.25334228       0.02740533
Cl       3.37292002       3.39324004       2.22177003       0.26347891      -0.21808408      -0.68984953
Cl      12.61230000       6.09694000       3.90212996      -0.14472221      -0.16577969      -0.13409893
Cl       6.42088996       0.83710203      10.56109998      -0.28189022      -0.54893386      -0.09545181
Cl      12.40099995       1.88639002       0.66997998       0.14850999       2.09049427       0.40568057
Cl       7.78876995       4.40847994       8.47360995      -0.65606173       2.47423798       0.22784101
Cl       8.62703000       5.44300995       4.68718004       0.31580461      -0.10600794      -0.23905556
Cl       0.39730604      11.65170005       6.42240001       0.77396490      -0.26815338       0.51867273
Cl       0.82463096       8.04708003       8.95250999      -0.24750063       0.21752087      -0.27149931
Cl      11.14509995       4.23151994       9.17230998       0.07050671      -0.61736219       0.58363827
Cl      10.01769995       8.98107996       4.96616998      -0.16827519       0.14034695      -0.04233230
Cl       5.74007998      11.04710002       7.94390994      -0.54030206      -0.50540026      -0.22338257
Cl      11.86840001       5.31077003      12.70090003      -0.60648074       0.60769994       0.93167932
Cl       7.42049006       5.80935999       0.00346610       0.11905514       0.36743635      -0.14312766
Cl       6.44317000       9.59641999       1.38550005      -0.30325196       0.08913095      -0.20029760
Cl       1.17919997       3.26761006       5.50957994       0.45479232       0.58316440       3.37612997
Cl       5.37481000       0.10376604       3.02414994      -0.25168015      -0.96485761       0.08242996
Cl       9.47220000      11.87659993       8.02303002       1.36526362      -0.27028833       0.74050367
Cl       4.46642002       1.14272005       7.62522001      -0.64492994       1.91725241      -2.46552320
Cl       1.84913006       9.20503000       4.23588002       0.89155590       0.10892122      -0.13170661
Cl       8.02942000       2.50575002      12.80740004      -0.08611723      -0.43719213       1.00131307
Cl       5.30643006       5.53344004       4.29974000       0.07415388       0.72829868      -0.41776929
Cl      10.49640001       9.54203004      10.54020003      -0.88786437      -3.48902042       0.09291595
Cl      11.96519997      12.92659994      11.15710001       0.42119111       0.92436531       0.51933385
Cl       1.81020005       9.08912998      12.13519998       5.75070074      -2.78244925       1.44648295
Cl      10.26969998      12.07990003       2.21504006       0.10682750      -0.23693433      -0.55657846
Cl       0.80878498      13.06629998       2.29139996       0.74192212      -1.54512725      -0.17568042
Cl       4.46949001       6.43742003       8.04983001      -0.10718160       0.31808759      -0.14391845
Cl       9.85347994       1.44893005       5.60788995       0.14773462       0.20082864       0.12635037
K       11.26779996      11.84429997       5.11060993      -1.00716665       0.47725167      -0.78154252
K        2.20953996       4.20672999       8.44714003       0.14651723       0.00540271      -0.36755698
K       12.64500004       0.56654402       8.12146006       0.01947373      -0.03994941       0.18340056
K        7.54757994      12.88419999       6.52667001      -0.80709644      -0.10253212      -1.04921585
K       12.43319999       9.06088994       3.13092999      -0.06841272      -0.05549628      -0.05410404
K       10.69200005       2.86548999      12.04120003      -0.08742227      -0.37216911      -0.83813602
K       12.97050001       5.97104996      10.36790001       0.71896877       0.17387255       0.16639671
K       10.39129994       4.64286997       2.15604003       0.16335172      -0.12879053       0.07988579
K        4.47861000       5.87988999       0.35996800      -0.23858307      -0.19589520       0.42465635
K        8.50939997       7.77573006       2.42606999      -0.12896160      -0.12922514       0.23738546
K        3.81510006      10.83970003       1.92111003      -0.51375834      -0.14380713       0.06650993
K        4.19597000       8.51323001      10.53679997      -0.20330839       0.03104390      -0.27263554
K       11.45740003       9.24974995       7.51898999       0.16863848       0.13326016       0.19184969
K        3.48138005      12.15039999       5.28440002      -0.41959215       0.36079548       0.18048177
K        0.60363206       2.41290001       3.26911005      -0.62170272      -0.51713091      -2.38457166
K       13.03739994      10.02399993      11.85209995      -4.54948585       2.58547767      -0.74031064
K        6.34398003       8.12974005       6.22690003       0.31216790      -0.43069734      -0.13153829
K        6.46311005       2.55829998       2.43882997       0.18704759       0.98147118      -0.18886706
K        7.25337000      12.27840000       0.22333504       0.52335672       0.26334979       0.16226751
K        6.32369006       3.75087005      10.90650005      -0.27190350       0.16468000       0.10050392
K        3.25837004       0.79820405      12.48909999      -0.35029774       0.27425507      -0.00915484
K       11.00929997       4.49215994       6.47908005      -0.17640921       0.15622111      -1.49344108
K        5.47208997       3.76588001       6.39647005       0.17338870       0.09765217       0.34426487
K        8.33944006       2.03880994       8.08423994       0.82826106      -2.21446767       0.26823369
K        2.65669999       8.93300005       7.07316002       0.04590459       0.24390499      -0.17045625
K        2.47445005       5.35773996       4.09314004      -0.43433662       0.74243139      -0.09962992
K        9.17284995       6.15235999      10.63599999       0.07316611       0.09097000       0.28173191
Li      12.13439996      13.18409994       0.38944797      -0.23908994      -1.54578779       0.46590135
Li      10.91059994      11.35959995      10.44569995      -0.67558386       2.29774663      -1.08428619
Li       4.98934996      13.23105134       9.04346999       0.47205926      -2.08146332       2.02747669
60
Lattice="13.23443393 0.0 0.0 0.0 13.23443393 0.0 0.0 0.0 13.23443393" Properties=species:S:1:pos:R:3:forces:R:3 energy=-578.40567116 stress="-0.00896812374083046 -0.0015381342406366489 0.0026169019604757923 -0.0015381342406366489 -0.004377534236205477 0.002889760117513257 0.0026169019604757923 0.002889760117513257 -0.007370844073422645" free_energy=-578.40567116 pbc="T T T" config_type=melt 
Cl       1.49075999       8.55189997       0.38091599      -0.18660108       0.73040721      -0.26699275
Cl       5.78177003       1.52965996       6.23159997       0.99818922       0.01514783       0.33376291
Cl       7.17957003       5.05166006       4.39116996       0.38236910       0.67179690       0.01546350
Cl      10.10899994       9.02646996       2.71718995      -1.39643358      -1.02096790      -0.47976715
Cl       4.17457005      12.67280002       3.58581998       0.02010972      -0.44737807      -0.54564756
Cl       1.25736003      12.75689995       6.03741006       0.28794155       0.25435091       0.27555448
Cl      12.50249999       9.51882994       5.03175004       0.46248016      -0.23908630       0.93374576
Cl       5.75067996       8.47810000       1.04081001       0.37794546       0.27188009      -0.34101445
Cl       7.80057996       0.60719001       3.09188999       0.71056730      -0.74970689       0.05430800
Cl      11.61159998       3.75574005       2.87915997       1.36555338       1.94175662      -0.85388978
Cl       0.31649500       0.16694299       9.93692001       0.82246529       1.20260946      -0.33261924
Cl       2.43531993       6.81848994       6.79453998      -1.23876347       0.16564353       0.31204668
Cl       3.87730997       2.49337000       1.45889994      -1.15063601       1.28582762       0.95770763
Cl       5.33771004       6.65094002       9.13571002      -0.00627442      -0.11749967       0.27267651
Cl       8.38938006       8.93682996       5.80662999       0.45085094       0.47355912       0.96924681
Cl      10.40779997       0.28226904       7.05248003      -0.89060113      -0.83907559      -1.02108268
Cl       3.32360998       7.49388996       3.33549000       0.25613881       0.02595718       0.07509550
Cl      10.31410005      10.05510006       9.47739002       0.97633690       0.43711245      -1.05755606
Cl       7.04547994       0.47837595       9.70841003      -1.11074636      -0.39798231       0.04127173
Cl       4.02257999       3.39115006      11.23539995       0.05696881       0.25026095      -0.35365110
Cl       8.59548003       4.29490004      11.57650001       0.32856533      -0.22495944      -0.53381451
Cl       3.72095996      12.31340004      10.55729998      -0.58589514      -0.77960498       1.82634850
Cl      12.55459998       0.30256497       2.66933000      -0.14690986      -0.46845786      -0.22318467
Cl       0.22316697       4.09869003      11.86099998       0.28368234       0.95049123      -0.19533745
Cl       9.82799003      11.22190003       0.23263898      -0.22434247      -0.58752254       0.43439519
Cl       3.09631996       3.24647004       5.68139003       0.19428701       0.38955660       0.36568935
Cl      10.24359996       0.09966323      11.25239998       0.84875390       1.65024527      -0.30317307
Cl      11.34699997       4.50562995       8.40806999       0.29603583      -0.31316970      -0.35552616
Cl       5.12864000       9.64150997       6.78645004       1.34311619       0.19438923       0.66622490
Cl       8.62460002       8.47615004      11.17929998      -0.99787413      -0.61920181       2.62012850
K       12.47339998       1.68042001       7.82453998       1.13474987       0.93091664      -0.04905546
K        1.45330006       2.07398005       3.85636000      -0.72770613      -0.73782985      -0.81213281
K        1.44106998       4.87804003       9.15555003       0.09424167       0.14294724      -0.16034232
K        7.56687998       8.65875002       8.78555999      -0.54816337       0.30347487      -1.29943421
K        0.89350097       6.20786997       4.01146995      -0.16463428      -0.18024049       0.55049157
K        4.06268006       9.35144003      10.64199996       0.17788689      -0.11788835      -0.15937385
K        8.15420999      11.77499998       6.03210994      -0.97255373       0.66082434       1.11640049
K        6.83040001       5.94824995      12.87920002      -0.25350010       0.39238719      -0.08598331
K        5.01295000       0.73203995      13.20569734       1.08131158      -1.02107002      -1.22635605
K        3.32735995      10.29640005       2.28654002       0.10312286      -0.35687532      -0.51453792
K       13.03940006      12.03390005      12.07740004      -0.99994340      -0.84016283       1.30443205
K        4.35669002       0.18475998       8.29077003       0.06286802       0.12997029      -0.84040766
K        6.04362006       2.63414997       3.49776004      -0.43861880       0.39052311      -0.07901355
K       11.01739997       3.26704998      12.86569997      -0.51935364      -0.57376322       0.49244101
K       10.33309993       2.01626005       4.18569995      -0.96966520      -1.34470981       0.83771894
K        5.71597001       3.64046999       8.68965997       0.06565037      -0.19284944       0.32434829
K        2.82648004       9.71275000       5.60304006      -1.54212539       0.12148937      -0.29259532
K       12.70759997       9.68434997       2.34984997       0.50468880       0.63056929      -0.99240442
K        2.74335006       6.06007006       0.48348299       0.28536405      -0.66834524      -0.02409800
K       12.71760004      11.50930006       8.22871999      -0.56199901      -0.89265581      -1.03922646
K       10.32249994       6.55338001      10.14060006       0.27456794      -0.15693235       0.15498072
K        9.67339000      11.61759994       3.70491003       0.95859123       0.39139295      -0.90646605
K        4.90318003       5.92727998       6.06150997       0.26158063       0.01594302      -0.14098718
K       10.50510006       7.37532994       5.06378995       0.27420514      -0.68931708       0.09006740
K        6.71810994       8.31343995       3.84902005      -0.83012323      -0.57895531      -0.54492270
K        1.70816005       1.79541997      11.91159998       0.56199984      -0.34162774       0.27266867
K        9.13858997       1.95333998       9.02518000       0.63908009       0.63803242       0.38916601
Li       9.46863002      11.42400003      11.06480002      -0.30637791      -0.73926116       0.25607089
Li       8.51733996       9.40011006       0.92793300       0.36300537       0.18942049      -0.59540520
Li       4.12326002       0.99448394       4.97218000      -0.53542974       0.38821366       0.68354712
60
Lattice="13.23443393 0.0 0.0 0.0 13.23443393 0.0 0.0 0.0 13.23443393" Properties=species:S:1:pos:R:3:forces:R:3 energy=-575.28460826 stress="-0.008005677310155392 0.0016725356775347101 0.0001305335487267148 0.0016725356775347101 -0.0074291312552399475 -0.0009621921952838423 0.0001305335487267148 -0.0009621921952838423 -0.007483695433037243" free_energy=-575.28460826 pbc="T T T" config_type=melt 
Cl      11.54740001       4.66902994       0.01216602      -0.08480012      -0.14961408       0.30833101
Cl       0.10636303      10.59760002       4.22526005      -0.06566165      -0.13441475      -0.15554210
Cl      10.56079996       7.05432001       9.96311002      -0.47451802       0.11783389      -0.10642922
Cl      10.16059994       8.57402000       0.96749906      -0.56444986      -0.43116472      -0.40868023
Cl      12.55429996       5.59116004       5.40110999       0.09579730      -0.20602134      -0.36225540
Cl       9.50105001       0.34505306       3.61434005      -0.09991235      -0.36868371      -0.05278267
Cl       7.03276006      11.66109994       0.43696303       0.59566662      -0.20703967       0.24910961
Cl       1.01501994       1.37842995       6.13294004      -0.13970010       0.07069670       0.98264403
Cl       6.00219998      10.45340001       9.30999997      -0.36543664       0.83692271      -0.03729232
Cl       2.41977000       5.30852997       9.84153004      -0.71587805       0.28471505       1.07187604
Cl      12.60330005       0.72185499       1.85443006      -0.55122391       0.03628308      -0.50725467
Cl       3.78834004       0.27522395       1.39408999      -0.01890592      -0.01865547       0.16422581
Cl       5.45419000       8.25082004       6.70009006       0.45970352      -0.77994172       0.32356255
Cl       8.50880005       2.66014994       0.10555202      -1.02047595       0.10382659      -0.30230819
Cl      11.08100003       3.05035002       9.78959998      -2.68601775       0.64421226      -0.44020650
Cl       9.03517994       7.78560997       6.21994996       0.33929013       0.12816646       0.49127845
Cl       2.37917999      10.56919998       7.47734003       0.36215127       0.11228795      -3.30876778
Cl       3.50060002      12.47539997      10.51190005       2.18071097       3.13147402      -1.58122316
Cl       5.95943000       5.71996006       0.35007500       0.01980620       0.17129451       0.06593926
Cl       7.12269002       5.13442000      10.13630006      -0.13195548      -0.02958830      -0.68924389
Cl       4.67325001       7.84070002       2.72521002       0.17419155       0.46781444      -0.00324684
Cl       8.65516005       3.19812994       5.31639003      -0.18213141       0.69021887      -0.05366445
Cl       2.18020002       2.17922001      12.18820005       0.93603055      -0.44536516       0.61724031
Cl      12.51520002      10.52359995      10.32210000       0.76399722      -1.16857670       0.66506330
Cl       6.18167995       1.83343998       9.86350000       1.17093395      -0.12098539      -0.43371356
Cl       2.65923994      10.19549993      12.71790006      -0.21497674       0.66301471       0.86658567
Cl      10.47950003      13.05059997       9.71822998      -1.93490029      -0.06086714       0.69925899
Cl       5.75783000      12.33349997       5.42808997      -2.61145466       0.51480829       0.27343314
Cl       1.31975006       6.52627999       0.97834401       0.36352354       1.10897880      -0.74658809
Cl       5.01755995       3.22758000       4.70513996      -0.83377158       0.29680772       0.75013022
K       10.09139999       9.65954996      11.15590004      -0.64074053       0.21719166       0.18034656
K        6.27777001       5.63937996       3.78434006      -0.05599620      -0.14502642      -0.01499161
K        3.28747005       7.61876002      12.03419994       0.32023704      -0.98844726       0.32298842
K        7.80771001       8.50240001       8.64949995      -0.04076250      -0.50317361       0.12829221
K        9.01449994       5.20753006       7.81964006       0.61295229      -0.28755487      -0.16063694
K        6.19598995       1.32297000       3.09226996       0.66455788      -0.58070759      -0.38344783
K        9.06548997       7.96094001       3.60683997       0.31421490      -0.07766634      -0.85326975
K       10.46979999       0.93179600      12.54649998       0.69830659      -0.19955312      -0.25425736
K       11.35390001      11.03909994       1.37349999       0.51305042       0.82852271       0.63959371
K        3.39067997       8.79210005       5.09331001      -0.62969682       0.29795311      -0.18965623
K       11.41720004       2.26165002       5.40007996       0.12187319      -0.09271506       0.38584843
K        2.47624994      11.16470001       2.60802996       0.17657168      -0.41456502      -0.55003697
K        8.65290993       5.48388000      12.46679997       0.86726414       0.31431011       0.26709488
K        4.12147006       5.10203005       7.88677001       1.01914869       0.17365960      -1.18948565
K        0.25701999       2.63387006      10.38110003       1.34212343       0.35014040      -0.08386332
K        2.22252996      10.58620001       9.89893003      -1.96107270      -3.17367015       1.92905662
K        5.62699994       0.29687800      12.14179999       0.56204033      -0.07549764       0.34176730
K       13.04720004       8.44173006       6.26794000      -0.28080203      -0.09845022       0.15753127
K        6.83225997       8.83123003       0.78964494      -0.35997450      -0.12763299      -0.11204478
K        8.14480005      11.65809996       5.52898003       2.38941052      -0.52957528       0.15614112
K        1.23286005       4.49370003       2.59439995      -0.23306401      -0.49570854       0.42518604
K       12.82009993      12.65330001       8.79781997       1.55814532       0.66533639      -1.52187434
K       10.30989997       3.17207994       2.42465999      -0.00943860      -0.13130639      -0.12908428
K        5.00317002       1.12370998       7.50337997      -0.31394451       0.32816302      -0.70654528
K        1.52794994       1.12654996       3.49617998       0.77690891      -0.17183308      -0.38378878
K        4.80876995       3.63377005      11.31259997      -0.88252130       0.92553502       1.00467779
K       12.91660000       7.03176999      11.82499993      -0.20856264      -0.31355702       0.07772836
Li       8.40453005       2.91692006      10.55829997       0.07961969      -0.05626259      -0.14431052
Li       3.06266995      12.80922996      12.38889997      -1.24200325       0.34948783       2.16409441
Li       4.65125994      11.53619997       7.55747995       0.07652222      -1.24583451       0.15746715
60
Lattice="13.23443393 0.0 0.0 0.0 13.23443393 0.0 0.0 0.0 13.23443393" Properties=species:S:1:pos:R:3:forces:R:3 energy=-575.5286768 stress="-0.021159190478683088 0.0018055792803639444 -0.002631032237816062 0.0018055792803639444 -0.007479383261763297 0.002426329781331434 -0.002631032237816062 0.002426329781331434 -0.012810466551279239" free_energy=-575.5286768 pbc="T T T" config_type=melt 
Cl      10.26179995       2.69816003      10.09320001       0.47290249      -0.69228080      -0.54192143
Cl       2.31318001      11.64330002       8.49794000       0.31135689       0.30121647       0.20444068
Cl       3.24053002       7.92832004       4.16190999       0.78612801      -0.05261680       0.57804469
Cl       0.13527299       8.66098995       7.31355994       1.07731213       1.06313749       0.31021157
Cl       7.32688000       6.88806998       2.68130995      -3.18781136       0.66054216      -2.39551959
Cl      12.00789994       0.42636608       5.41327998       0.42230855      -0.36971426       0.05733995
Cl       4.85875005       9.44329997      13.02347891      -0.15248642      -0.05902517       0.23006124
Cl       6.23989002       0.59539204       8.57965999       0.40074132      -0.10634878       0.12829289
Cl       9.62643000       7.12938996      10.59560003       0.26845959       0.15473593      -1.07308840
Cl       5.07498006      12.04919998       4.07341001      -1.48026726      -1.32177269       1.16884413
Cl       0.61979898       4.83738002       8.19804006      -0.15677062      -1.33764978       0.84586438
Cl       8.91917999      10.96110003       3.08639003       0.84172000       0.37512672       1.98568630
Cl       9.55331001      11.61470002      13.04127895      -0.19598765      -0.17056398      -0.08647088
Cl       1.77264006       3.62310998      12.01479998      -3.01894704      -0.57071561       2.98884753
Cl      10.10280000       8.66837000       6.74013998      -0.84481816      -0.45645155       0.27748397
Cl       6.56253003       4.61633996      11.09079999      -0.97284523       0.02068668       0.13228636
Cl       9.89272997       4.84048005       6.11558004       0.01227258      -0.94014370       0.37877596
Cl      12.45100004       7.39234995       3.71274005      -0.27550495       0.34851586       0.04880620
Cl       0.06256605       1.79680998       1.82112005      -0.76086643       0.26283502       0.32469642
Cl       2.98558996       2.03987995       2.73825004       1.17192642       0.40905654      -0.40107323
Cl       8.87134995       2.63487998       0.97065706       0.52886655      -0.88176767       0.83920592
Cl       2.87455002       1.79279995       7.76822998      -2.42906393       2.11836260      -1.63985250
Cl      11.30870005       5.85021005       0.21265194      -0.87418859       0.32101832      -0.37877477
Cl      10.37289998      11.35559997       9.43605002      -0.27529796      -0.18206184      -0.36536103
Cl       8.49938004       2.01171006       4.26257996       1.38627692       0.47664497       0.48787001
Cl       2.85817995       5.82259998       1.78098993      -1.71675518       0.67308979      -2.37592520
Cl       0.66551799      10.23479998      12.42160001      -0.48705037      -0.53065515       1.32934357
Cl       4.99478005       0.24283400      12.77878693       0.10775953       0.44112370       0.20155693
Cl       3.86868999       7.20737002       9.59165996      -2.81728272       0.78022484       0.34347424
Cl       5.36644001       5.09987006       6.58621994      -0.30015801       0.13738570      -0.45558185
K        9.11176999       4.17238994      12.10420004       0.64608404       1.23414725      -0.55268445
K       10.40779997      11.33479994       6.33170999      -0.18543668       0.64617554      -0.22173325
K       11.95970000       3.12379994       4.71375002      -0.39155796       0.55670726       0.07389303
K        2.81936005      11.77139995      11.78129997       1.14528867      -0.01252972      -0.47962312
K        2.53255001       6.13292999       6.83223999       0.62902818       0.62351909      -0.22388076
K       12.95475196       1.82779999       8.77326996       0.05184509       0.03649546      -0.18478245
K        8.64449005       8.38817996      12.81670001      -0.32950912       0.24071752       0.66359764
K       13.10864791      10.84889995       9.86223995       0.20445533      -0.37707762      -0.73509759
K        8.36599998      12.96450005      10.84960005      -0.40218978       0.57521452      -0.23871066
K        4.89424997       9.51994005       6.14022004       0.01675169       0.32036301      -0.03075676
K        2.06178995       8.85698993       1.61883000       0.41023302      -0.16531268      -0.60711846
K        6.09108006       6.43514001       9.00737003       3.21452007      -0.55857384      -0.87758714
K        3.41908001       3.78963000      10.35839993       2.95805534       0.31490581      -3.41483076
K        4.01126997       6.59409006      12.40559998       0.13949557       0.14969392       0.08574818
K        6.63488996      10.98349997       1.99376999      -1.61012280      -0.56729188      -1.60259567
K       11.93199994       6.45034002       7.17331994      -1.06908508      -0.12995212      -0.29378115
K        7.08056998       2.73252998       6.57399000       0.17718034       0.11815604       0.57908831
K        0.10396601       5.49174006       1.87979001       0.44008491      -0.94735814       0.05029729
K        6.55821998       0.71388297       3.17175994      -0.28093066       0.59010157      -1.29207254
K       12.07410004       4.91203003      10.76380003       0.34355565       0.29513127       0.02609885
K        1.02912996       9.35001998       4.67225001      -0.79631901       0.65223526       0.82571587
K       11.05679994      10.35789994       1.73751005       1.36216911      -0.65829723      -0.43408124
K        4.63624004       5.31227994       3.34651997       2.31447847      -0.56398267       2.17375561
K        1.82633005       0.50352998       4.70213006       0.12560853      -0.21048041       0.59941513
K        9.26187004       6.44340001       3.99342996       2.89000255      -0.09208143       1.55056007
K        6.41328003       3.21353006       0.32652895      -1.63727347      -0.25221695       0.03149244
K       10.75529995       1.07622006       2.29913007      -1.06039398      -0.80992077       0.25530065
Li       4.10269000       0.81353005       8.75563998       1.86757685      -2.24910092       1.32137523
Li       1.76440997       1.43132004       0.71867105       1.16430424       0.73657425      -0.10144886
Li      10.15920000       9.09117999       9.03085003      -0.17982819      -0.36789641      -0.09311750
60
Lattice="13.23443393 0.0 0.0 0.0 13.23443393 0.0 0.0 0.0 13.23443393" Properties=species:S:1:pos:R:3:forces:R:3 energy=-577.42256137 stress="-0.003930516597387114 0.001584195310959315 -0.0022431624974064784 0.001584195310959315 -0.011267447012793162 -0.0030153715497282085 -0.0022431624974064784 -0.0030153715497282085 -0.0041391617028393975" free_energy=-577.42256137 pbc="T T T" config_type=melt 
Cl       1.08268006       5.83057002       4.98688002      -0.18492824      -0.32394422       1.22331776
Cl      10.22730003       9.33961996       4.19716996      -0.26225976      -0.80152857       0.25663497
Cl       4.90723996       3.37144994       2.92820003       0.93678124      -0.16113988       0.69161481
Cl       3.35711004       3.60032002      11.61539998       0.18981785      -0.28923725       0.19860363
Cl       6.69731004       0.62507105       6.72266999       1.29033612       0.37075800      -0.07926472
Cl       6.35240997      12.58860004       2.91293001       0.38838913      -0.22295535      -0.19932237
Cl       7.54751006      10.58190001      10.55260003      -0.21722026      -0.27504102      -0.24352449
Cl       9.95597005       9.50435002       0.35866600      -0.16169758       0.51318453      -0.41050516
Cl       7.15161004      10.69289999       6.72177998      -0.17584950      -1.25070776      -0.65851284
Cl       6.74652003       1.82405002      12.28510006       0.06185882       0.09480243      -0.55470945
Cl       0.44462404       7.99671996       2.90604003      -0.45417857       0.24688879      -1.04694701
Cl      12.84080004      10.46059994       6.87873997       0.26113587       0.03715125       0.00206626
Cl      12.97169998       6.87632005       9.92678005       0.65359887       0.32056517      -0.32240959
Cl       3.82818005      12.13610005       7.79040996      -2.37875968       0.28669799       0.68491509
Cl       3.36121006      11.37199995       1.55037000      -0.29635140       0.04053951      -0.31690271
Cl       1.01199005       1.97694995       5.63746997       0.62786005      -0.38735998      -0.08690260
Cl       1.55738001      10.42210004      11.37459999      -0.38026073      -0.59004421      -0.15150191
Cl       6.50734999       3.68068996       7.76187004      -0.24549246      -0.90745856       1.87744661
Cl      10.61530002       1.04311995       5.64672997       0.51581347      -0.14205870      -0.13727052
Cl       9.10020998       6.64107997       7.61879006       0.63037104       0.12539642      -0.39726696
Cl       9.10411003       5.25523000       4.41102995       1.68194916       3.42697698       2.76730292
Cl      12.38060000       3.51371997      10.53510001       0.69810890      -0.73822074      -0.58773103
Cl      10.32110001       3.16896006       0.99592503       0.67421411       0.40205236       0.84630234
Cl       8.99586996       5.43370998      12.04020004      -0.63737368       0.11400677       0.27537310
Cl      11.68280004       0.00196611       1.65132001      -0.13595235      -0.80642964      -0.25840409
Cl      11.66689993      12.19179995      10.51040006       0.05217441       0.20433864       0.02096468
Cl       4.47887005       7.39618000       7.24104001      -0.16953224      -0.11157803      -0.03918955
Cl       4.54660997       6.91650998      10.84450003      -0.22452615       0.46829171      -0.38379526
Cl       1.37690005       1.91544000       1.41851996       0.52649700      -0.25137522       0.91072844
Cl       4.73416996       7.24302994       3.05201001      -0.66920166      -0.63584142      -0.58905058
K        9.91900998      11.96689993       3.56114994      -0.48505227       0.65955983      -0.08015309
K       12.18920004       1.99626004       3.34732000      -0.09491059       1.00782316       0.05214642
K       10.08560000       2.17178000      11.70009996      -0.29157456      -0.72101782      -0.25562087
K        1.69341993      13.11930005       4.10160001       0.24000143      -0.87739773      -1.16479561
K        2.68724996       9.50017998       3.64708998       0.18523092      -0.31416611       0.36978481
K        7.14852999       8.17717994       8.69813993      -1.13973594       0.63934827       0.67281275
K       12.66939996      10.92650005       0.30538695       0.03610868       0.12200272      -0.15635979
K        3.68191004      12.07499998      11.13180000       0.69904125       0.54288436      -0.05560154
K       12.25820001       7.59292997       5.83262003      -0.34559312       0.45661877      -0.18299339
K       10.49040005       5.33716994       9.75496004      -0.05042051       0.31048869      -0.48499865
K        0.02056605       3.84149005       0.02729377      -0.24348912       0.32068927      -0.42005962
K        6.47746002       5.63839995       6.08595000       0.34544012       1.16361874      -1.32286273
K        0.80859903       0.24656611       8.00010004      -0.61959108      -0.90167966       0.55457446
K        4.32265000       1.24580994       1.15892998       0.16710640      -0.24903747      -0.27302737
K        7.39710998      11.75499997      13.14360005       0.33538575       0.21009496       0.35129224
K        6.55445002       9.05567994       3.68916000       1.07086773       1.26011822       0.53105004
K        3.03365994       4.88255006       9.16845003       0.22260578       0.51904433       0.06032651
K       10.39889995       7.33974003       2.00142994       0.29373867      -0.61482953       0.38840050
K        2.71675004       8.16464005      12.75530004      -0.16256351      -0.01287457       0.53553178
K        2.53364000       8.67911001       9.01766999      -0.33793179       0.23598527      -0.17088804
K       11.21699998       9.24979997      10.65730002      -0.13921930       0.30425609       0.08197131
K        2.68026006       4.90377002       3.08496005      -0.05059227       0.16880344      -0.81299398
K        9.65048993       9.83350998       7.06927002       1.11602191       0.02219661       0.18469369
K        8.30347006       3.66002002       2.95603999      -2.10892994      -3.63228753      -3.10186579
K        4.53529003       2.03930001       6.09583996      -0.48497906       0.32308068      -0.50145369
K        6.22424996       5.99061999      12.86589994       0.21577713      -0.39741395       0.49282166
K        0.47250794       4.08493005       7.04800004      -0.90828120       1.01910338       1.10969711
Li       8.81301998       1.57854002       6.51264998      -1.04998744      -0.06325292       0.35377281
Li       5.70644003      12.05640004       7.22241995       1.17709505       0.02417509      -0.16216186
Li       6.51134996       3.18855999      10.28229995      -0.18689094      -0.28266457       0.11490016
60
Lattice="13.23443393 0.0 0.0 0.0 13.23443393 0.0 0.0 0.0 13.23443393" Properties=species:S:1:pos:R:3:forces:R:3 energy=-576.98510793 stress="-0.006964415099521592 -0.0027750496245413695 0.0021278612081467715 -0.0027750496245413695 -0.007563177225710271 0.0008406267776691802 0.0021278612081467715 0.0008406267776691802 -0.0076195929596727776" free_energy=-576.98510793 pbc="T T T" config_type=melt 
Cl       8.30913003      11.45099999       1.27090997      -0.23341933       0.29856939       0.64078319
Cl       8.04219004       4.48540998       8.75203994      -1.35250134       1.01623763       0.21999672
Cl      13.14009994       6.09786999       5.50261003      -0.16261892       0.11130712      -0.24177013
Cl       9.41888006       2.68970005       1.35478002       0.48872193       0.06369255      -1.69917643
Cl       2.34686998       2.37557996       5.50075999      -1.16251958      -0.94861910      -0.60030380
Cl       5.16475994       7.44572006       7.46710995      -0.07937908       0.49111090       1.49697649
Cl      12.46410001       0.75455199      12.47179994      -0.17924489      -0.69097378      -0.77136247
Cl       7.80364995       9.55814998       5.60146000       0.68609822      -0.67191022       0.09883555
Cl       7.64436004       0.75218898       7.91703994       0.79249940      -0.07983600       0.32363727
Cl      10.92620003       7.89549004       1.95426997      -0.08587215      -0.21096996      -0.31309701
Cl       4.54457994       1.46397005       3.35022998       1.05125710      -0.69252150       0.10131607
Cl       6.67779004       5.83066001      12.89030000       1.46193441      -0.26614496       0.18606651
Cl      11.34569996      13.08230001       5.39927001      -0.18826709      -0.26864988      -0.20022909
Cl       5.46728997       9.16006006      12.15109996       0.56085865       0.18694790       0.79417773
Cl       4.48726002      10.92069993       5.20976999       0.15536030       0.17414769       0.05921223
Cl       0.19968101      11.16290000       8.76307005      -0.54287792      -0.59061673       0.37524831
Cl       4.25907006      11.66030005       9.35019004      -0.45928043      -0.63848150      -0.30475720
Cl       6.30505995       4.87392995       2.83917993       0.00336652       0.65122082       0.12146527
Cl       2.09024001      11.37340002       0.71137306       0.18039059       0.31306124      -0.12429643
Cl       2.14068994       4.07995999      12.82699997      -0.11796505      -0.82440066       0.08358587
Cl       0.69958501       9.52722005       3.72919998      -0.34431227       1.20057574       0.26341638
Cl       3.36596996       2.46739994       8.91088994      -0.60580381      -3.05966380       3.64306271
Cl       9.90371997       8.92829997      10.04939999      -0.01099856       0.12748839       0.39876246
Cl       9.49855995       3.71110004       5.38589000       0.20234156       0.35028397      -0.03015565
Cl       1.97965004       6.73922005       9.20428993      -0.95346690      -0.72356029       0.02954022
Cl       5.85141002       1.11312997       0.18175602       1.09824866       2.70042284       1.37288561
Cl       3.18625998       6.65572996       4.85654996       0.07553021       0.08010983      -0.51659996
Cl      10.74610003       4.01283997      10.95439996       0.28240590       0.19222056       0.81769774
Cl      12.33999993       2.56013997       1.96937998       1.10968171       0.21055627       0.45151412
Cl       1.88965006       6.58596994       1.03483996       1.27212980       1.08239736       1.82109688
K        1.82344997      12.61499996       7.18075994       0.35660148       0.57295431      -0.40819282
K        7.62723005       3.02985001      11.57320001       0.35004048       0.42238088       0.24748936
K        9.24860993      11.67049996       8.90888003       0.22802185      -0.21223327      -0.29071914
K       10.08809999       2.96447006       8.29507995       0.74718681      -1.22041484      -0.48136284
K        3.43556005       8.88904003       1.50958002       0.15231527       0.20940715       0.29700602
K        1.47038994       2.01664994      11.20689999      -0.14734570      -0.40940262      -0.44062304
K        7.29992000       2.34370007       2.71479002      -1.22768278      -0.82023509       0.94821907
K        7.50569997      12.14679996       4.80724005      -0.08423076       0.78217061      -0.15921561
K        3.47501005       4.06700997       2.66522998      -0.47980794       0.48160922      -0.10098324
K       10.83520006      12.81720000       1.13675000       0.19896104       0.80823592       0.57279451
K        4.18085005       5.76484001      12.08559997      -1.07777343       0.16336359      -0.34803290
K        5.42956998       0.04822072      11.26770004      -0.56872982      -1.12124822      -2.60482424
K        9.36090000       5.21804005       2.71645001       0.04820450       0.34454387       0.24061937
K        3.85040000       3.81726998       7.09414997       1.28581485       3.67802093      -2.70993465
K        1.99944994       0.46536597       3.02530001      -0.80902594      -0.36287910      -0.25521426
K       12.65019998       2.90831000       4.82523001      -0.26669174       0.11725614       0.16087056
K       10.90880006       6.18402006       7.21627004      -0.41661048       0.01360613       0.24179024
K        5.13579003       0.02036607       7.22102001      -0.79878677       0.25247381      -0.46065027
K       10.52220001      10.09020003       3.90787000       0.46093871       0.02321898       0.27212047
K       13.12949996       6.46010994      12.73189998      -1.30374193      -0.38916754      -1.19739359
K        7.37990006       6.91490001      10.35159995       0.26723892       0.37129165      -0.50399789
K        5.25610004      12.16490003       1.38152999      -0.62106115      -1.38057353       0.89893106
K        1.35276997       8.62961998       6.89304996       0.15198261      -0.27210842      -0.20371818
K        8.79624997       8.92453994       0.21631497      -0.43095939      -0.70952896      -0.56831873
K       12.62539997      10.76690006      11.55050004       0.36516060       0.29219711      -0.02763743
K        6.09772996       5.98367998       5.45151995       0.51885643      -0.56404894      -0.56119969
K        3.77601004       8.42211001      10.12790003       0.32791242       1.22052475      -0.52544600
Li       1.18526002       7.54853004       3.71144996       0.26883355      -1.63092202       0.14822213
Li       5.70291993       9.09035998       6.16574000      -0.43122311       0.61345162      -0.13749245
Li      11.24060002       3.61591998       0.32480305      -0.00669622      -0.85794592      -0.54063496
60
Lattice="13.23443393 0.0 0.0 0.0 13.23443393 0.0 0.0 0.0 13.23443393" Properties=species:S:1:pos:R:3:forces:R:3 energy=-578.43287371 stress="-0.008056442193966635 -0.0035138176696080776 0.00034929625906072895 -0.0035138176696080776 -0.007538587052886299 0.0014153015158015218 0.00034929625906072895 0.0014153015158015218 -0.009632779451177971" free_energy=-578.43287371 pbc="T T T" config_type=melt 
Cl       4.76456006       1.51923004      12.21070004       0.08082888      -1.22228452      -0.39116288
Cl       7.57818999       0.17629298      10.36829995       0.26052479      -0.20169546      -0.13819697
Cl       4.46087003      11.13379999       1.20954005      -0.34930027       0.35255886       0.42617951
Cl      11.41929995      12.19400004      12.74499995       0.03485532       0.78955213      -0.47501293
Cl      10.19110001       7.42051005      11.16100006       0.03675361      -0.25640247      -0.08647408
Cl       1.87461005       7.93697999       4.05173002      -0.45565191       0.12854931       0.54774023
Cl      10.95660005       9.68841003       1.69874004       0.25200705      -0.75019946      -0.85723670
Cl       3.98898001       1.78808994       6.23621998       1.23526796       1.04529402      -0.10500972
Cl       2.96294995       6.52859999       0.66632304       0.37217461       0.23641476       0.06467367
Cl       8.83819002      12.47459995       2.73634005      -0.97481809      -0.09905164      -0.20492014
Cl       1.76936004       0.63051702       1.93089994      -0.45848617       0.37353802       0.25230329
Cl       0.65389895       3.60772006      12.35770006       0.44556677       0.53273794       0.16894828
Cl       6.95306005       3.44723005       6.06653998       0.39166235       0.47169457       0.53530965
Cl       6.21302994       9.01640001      10.53529998       1.61658507       0.52508410       0.57827169
Cl       2.71598006      11.63620001       9.50067998       0.12460564       0.45190871      -0.10013448
Cl       2.96199998      11.83120000       4.83930999       0.09546472      -0.74096317       0.78448812
Cl      10.20409993       3.08908006      11.85139998       0.23527845       0.44267902       0.03816957
Cl       1.49514006       3.84415004       8.15720997       0.82811146       0.03950547       0.52487522
Cl       6.44709004       2.98435003       1.88589995       0.05766242       0.18045091       0.03278971
Cl       8.86388004       9.08980004       7.15534996       0.69816999       0.78141126      -0.53222019
Cl       5.09254003       8.21610003       6.15774005       1.01577210      -0.75734284       0.17105125
Cl       1.67738999       9.74324995      12.54929999       3.02096519       0.11859052      -0.76459862
Cl      10.76380003       5.37452996       1.25504003      -0.04059445       0.38390983       2.37094503
Cl      11.63099994       2.89657000       8.29621997      -1.13574230      -0.13706566      -0.02051990
Cl      11.21059994       1.70261006       3.84808001      -0.12870352       0.63636582       0.49459838
Cl      11.58740003       9.88856999       4.68279005       0.43487477       0.07843988       1.14869994
Cl       5.61557002       5.80516997      10.30950002       0.55024193      -1.46333866      -0.33058728
Cl       6.88023003       8.75392995       2.26054004       0.59826272       0.56016534       0.11002908
Cl      13.08629998       4.72444000       5.12278005      -0.62447674       0.27923487       0.18433035
Cl       0.45848605       8.52675997       8.43845996      -0.56085761      -0.27639684      -0.10226428
K       12.87900005       1.76376995      10.63380003      -0.43182179      -0.51183699      -0.11333461
K       12.36020005       5.54500005       9.48445999       0.47502381       0.19917735       0.26935901
K        0.28334897       5.96148994       2.85663999       0.39437755       0.43422767      -1.64961881
K        5.70444004      11.75640004      11.86709999      -0.72362116       0.38832503       0.23867825
K        3.07791007       9.67897004       7.15675996      -0.97104627       0.39801348       0.18173298
K        7.73646006       7.10620005       8.46079995      -0.85897521      -0.93354885       0.61491049
K       12.51500004       9.68065994      12.13710005      -2.73116922      -0.63067195      -0.82250512
K        4.66400006       2.94608002       9.71778994      -0.17247033      -0.29818160      -0.63277431
K        8.96296996       9.93458995      12.74909997       0.33546110       0.29347779       0.41043861
K        4.46585994       8.81817003       3.31274001      -0.92621749       0.20820613       0.33603984
K       11.95299994       7.54598995       5.88497003       0.70028565      -0.79850787       0.40204955
K        8.36501997       1.27181004       0.30665705      -0.01781133      -0.11402696       0.22672902
K        6.47366002       7.43489005       0.19685797      -0.43267925      -1.64458044      -1.63792708
K        3.90649997       3.95674000      12.85179998      -0.40812543       0.75090695       0.84841894
K        5.55847006       0.79208802       3.88922004       0.55036020       0.34779071      -0.04324172
K        0.95729504       9.73252000       1.83923997      -0.21847125       0.05216362       1.44103282
K        8.56484999       2.83385003       9.50686999       0.04935418      -0.11908959      -0.45709642
K       12.24680000       2.93935004       1.52471994       0.33047029      -0.62327917      -0.27481757
K        1.86475000      12.86630002      12.53830006       0.36289090      -0.31911549      -0.33586398
K        1.95822997       0.41756505       6.86640997      -1.29594004      -0.77020969       0.63601697
K        4.04895000       4.86930001       6.54025000       0.07693556       0.04271212      -0.35424992
K        8.88993004       9.28735996       3.79919995       0.79022552       0.71296313       0.81907123
K        4.14049999       7.77597000      11.31750002      -3.04075809       0.09663903       0.82791884
K        9.34867006       4.15582003       4.34386003      -0.14968147      -0.57398123      -0.28212439
K       11.44850001      10.43229996       7.63890004       0.19693917       0.18281676       0.07691265
K       11.56249997      12.20340006       3.33119000       0.29081504       0.64180312      -0.84317578
K        7.00621006      10.85199998       8.83293000       0.25835164       1.03286169      -1.32192772
Li      10.70430000       5.49617995      12.54449999      -0.31174026      -0.14960103      -1.85572366
Li       3.13968007      12.59119994       2.95800001       0.11945769      -0.21397293      -1.29946768
Li      13.04319993       3.57926999       6.81546998       0.10257554      -0.58482541       0.26947477
60
Lattice="13.23443393 0.0 0.0 0.0 13.23443393 0.0 0.0 0.0 13.23443393" Properties=species:S:1:pos:R:3:forces:R:3 energy=-580.72668667 stress="-0.0042993655197393335 -0.0012280262702982017 0.0012384255357622556 -0.0012280262702982017 -0.0033819125867000045 0.0013289241412952717 0.0012384255357622556 0.0013289241412952717 -0.004423139957229864" free_energy=-580.72668667 pbc="T T T" config_type=melt 
Cl       8.23260999       2.10897997       4.71468000       1.87146115       1.43245970       0.86212239
Cl       8.08476998       9.97811999       7.72510002       0.54222773      -0.51616394      -0.73129435
Cl       7.40387000       0.02330584       9.21161996      -0.30578106       1.18657189      -0.37181822
Cl      13.13504902      11.69609999       4.30705004      -0.09770913      -0.13417214       0.32049581
Cl      12.73739994      12.95349998       9.23398999       0.24459421      -0.21418878       0.37369650
Cl       4.99960003       3.78040996       5.42810996      -0.07612468       0.43041826      -0.77660265
Cl       3.29966002       0.38838802       5.34934999       0.71589027       0.23562171      -0.38172172
Cl       2.50817999       6.49216003       9.33790001      -0.05406438      -0.90815007       0.76634037
Cl       4.11430997       3.96983998       1.06748004       0.68291027       0.04869260      -0.49858921
Cl       7.07717006       7.79154998       0.36477806      -0.00862031       0.00135313       0.05393157
Cl       1.49759002       6.93629996       1.12659998       1.21062897      -1.76626364       0.28728607
Cl       2.88197996       8.60558002       6.80927997      -0.05461234       0.05010399      -0.55451753
Cl       5.58349995       7.72158005       3.81623002       0.49429529       0.06576256       0.16096299
Cl       8.42858006       1.14108997      12.44750006      -0.50749026      -0.55044101       0.26165783
Cl       3.12639005       2.51383004       9.25627995      -0.11948099      -0.55435270       0.99722304
Cl       7.01196003      11.73319995       3.80160001      -0.12933145      -0.71906601      -0.30814608
Cl       4.24655002      10.42530000      11.50959995       0.06295486      -0.14489793      -0.27078859
Cl      10.08260002      11.15269996       2.18412006       0.29755708       0.20228870       0.63814551
Cl      12.74440003      13.22702662       0.25035195       0.38729347       0.25059882       0.12051006
Cl      12.04630005       2.55103005       7.33953000       0.43673931       0.51629286      -0.11692649
Cl      11.64399999       5.57869995      11.06430002       0.94111703      -0.51005260       0.21820967
Cl       0.94053602       9.84671000      10.22509994      -0.02039251       1.00193339      -2.47914847
Cl       9.59768997       9.12436004      11.32810001       0.09160511       0.16382773      -0.47972748
Cl      10.26630005       6.62997999       5.68458005      -0.03507400       0.45813549      -0.60639401
Cl       1.10415001       4.55618998       4.74877005       0.39748293       1.24991455       0.82383794
Cl       7.76291000       4.41007998       9.54426997      -0.16708120       0.06502798      -0.06290262
Cl       9.15890006       4.19440000       1.45246999       0.75058907       0.00809295      -0.49934458
Cl       2.34463998       9.97089994       1.65030996      -0.12135124       0.54542135       0.53905532
Cl       0.25170093       3.74502003       1.72850005      -1.74680160       0.32636008      -1.42699074
Cl      12.03909999       8.02924994       1.64641996      -1.24600930       0.37674387       0.35084361
K        3.64933997      10.64149996       4.80874004       0.23474144      -0.05740874      -0.37058444
K        0.99142797       0.03979541       6.71733996      -0.83114664       0.02296090       0.30261428
K       11.38860003      10.33000003       9.11847998      -0.22424588      -0.37405327       0.14176800
K        3.57179002       5.83278004       4.24211000      -0.15623178       0.66087937      -0.53972702
K        4.93580000      10.72150000       1.06397993       0.96624178      -0.08634588       0.35478041
K        1.16952997       8.75651001      12.44909997      -0.17852590      -0.25422571       1.50566871
K        2.35252002       2.85514000       2.94394993       1.14017534      -1.22805649       0.51377651
K       10.84450003      11.25960004      12.79969998      -0.35533389      -0.31881179      -0.67413918
K        7.00491997       4.61201005       3.06157004      -0.77432328       0.07540242       0.47591736
K        4.31160004       7.23395998       0.01363914      -0.16075890      -0.19071626       0.19331154
K        9.05774994       7.27722996       2.57078006       0.26256798       0.38046495      -0.03974621
K        8.75627999       0.70479396       2.41147995       0.43732459      -0.51102092      -0.85656257
K        6.97845997      10.77889999      10.13149993      -0.04736433      -0.80330966       0.83503456
K        9.94043997      10.65309994       5.22745000      -0.39528822       0.06140876      -0.29843368
K       10.23180000       1.03278995       9.02480997      -0.79137088       0.31897254      -0.02123537
K        2.61230997      12.77889995      10.79310000      -0.66301333      -0.21413106      -0.20132685
K        6.05993997       0.97681094       4.21591998      -2.43102931      -0.24026292       0.01233659
K       12.13259994       3.17210999       4.46394995      -1.54901494      -0.48721708      -0.43810691
K        6.66179993       7.15434997       7.15420994       0.20988365       0.09436427      -0.15317818
K       10.86550003       2.33957000      12.60889994       0.69890299       0.68227204       0.35340852
K        1.85670003       4.28989001       7.47042994      -0.07568372       0.03053424      -0.00081464
K        0.39699398       7.85092004       4.60364006      -0.19250171       0.06858583      -0.53468145
K        5.45044995       2.35300996       7.60514006       0.98582441      -0.79113077       0.85996431
K        9.02691001       6.17705002      11.92779999      -0.56218526       0.10812882       0.06955589
K        5.72685004       2.22487999      11.67879994       0.48898087       0.33302419      -0.22980769
K       11.24410000       5.58531002       8.07209999      -0.18289437      -0.44266658       0.50212981
K        1.45261001       4.24958004      11.47060006      -0.02056990       0.27939208       0.22598819
Li       2.79963995       8.57298996       9.02853003      -0.47477679       0.69388911       0.18569141
Li      12.62279993       6.05688003       0.82538996       0.30303453      -0.29144335       0.22027409
Li      12.63964194      11.74719999       2.03832000      -0.09884083      -0.11735183       0.39671810
60
Lattice="13.23443393 0.0 0.0 0.0 13.23443393 0.0 0.0 0.0 13.23443393" Properties=species:S:1:pos:R:3:forces:R:3 energy=-580.22752304 stress="-0.005995294735485383 0.0019588843385025135 -0.00023813772779276347 0.0019588843385025135 -0.006229707786533693 0.0018920150317050489 -0.00023813772779276347 0.0018920150317050489 -0.005161372137530569" free_energy=-580.22752304 pbc="T T T" config_type=melt 
Cl       0.42845302       7.09580996       6.14320004      -0.67982627      -0.29456597       1.80201266
Cl      13.06649995       3.61606000       7.79768003       0.24729082      -0.06771244       0.13157233
Cl       7.81472003       8.55289996      12.21589998      -0.10907541       0.00339485       0.08218842
Cl      10.79939999      10.74380002      13.01560005      -0.55126687       0.47192298      -0.68026312
Cl       7.65239996      11.27600001       5.20446999      -0.09424225      -0.10499615      -0.20874778
Cl       9.40971998       3.39747003       3.63222004       0.14891506       0.66118323      -0.78842181
Cl       9.71371995       1.95142999       7.06841998      -0.03343013      -0.22204355       0.32498665
Cl       5.61418994       8.49861006       2.95405998      -0.15455019      -0.04971846       0.11964871
Cl       8.52795001       0.32869794      11.40130006      -0.18718471       0.14567580      -0.29026644
Cl       0.84557194       1.76044003       4.29620998       0.59091100      -0.22411438      -0.92500726
Cl       1.84863999      10.16360005       2.50789995      -0.29540647       0.75587531       0.12722203
Cl       4.73760999      11.45690004       8.40137006      -0.11052212      -0.65350567       0.75911580
Cl      13.10640005       1.59608001      12.07879998       0.09971348      -0.40404990       0.75695804
Cl       4.58539004       0.99615200       0.23194603       0.34247057       0.40147722      -0.46600314
Cl      12.50740004       7.19458000      10.53699994       0.06756970      -0.05384290      -0.15141797
Cl       3.31770001       5.53637001       9.70591998      -0.62565992       1.24895212      -0.09773672
Cl      10.25330000       4.59114001      11.57070002      -0.04312192      -1.14587377      -0.63643121
Cl       4.78121003       5.52975994       5.30991005      -0.42256756       0.28379446      -0.50353581
Cl       6.99608996       5.11989998       0.70668595      -0.14242485       0.09639728      -0.39837077
Cl       2.51922003       6.78015005       0.36554406      -0.78999985       0.43585295      -0.52096218
Cl       6.15278997       7.40436999       8.61350996       1.69514449       2.11906843       1.61838029
Cl       9.80751001       0.39290705       2.28522994      -0.25094809       0.12897869       0.03173337
Cl       1.87829995      10.56200005      12.12119993       0.88766294       0.21026757      -0.73311539
Cl      12.54280003      11.91029996       4.89174998       0.75566691      -0.65433203       0.69616159
Cl      10.15299993      10.86140001       8.11320998       1.02887435       0.09040383       0.06626368
Cl      10.42319996       6.15796001       7.40613004      -0.61822624       0.04747038      -0.25555834
Cl       1.67858003       0.99441498       9.19502001      -0.74354604       1.18171112      -2.17384601
Cl       4.19878999      12.96870000       5.57350001      -0.84354327       0.94431316      -0.71946769
Cl      10.82239998       9.12113004       2.55162996      -0.25910610      -0.94633141       0.54060328
Cl       6.19767998       3.78183994       7.79986001      -0.77289115      -0.60742895      -0.12210575
K       12.19509995       2.15238004       1.64193997      -0.40728008      -0.09703748      -0.08770780
K        4.30530005       5.41242001       1.74941006       0.91167372      -0.57591014       1.01749554
K        1.17603006      12.51689998       6.82868998       0.86555900       0.44369622       0.09658291
K       13.07530005       9.28765998       0.10298997       0.06046654      -0.83497837       0.36357574
K        3.99863003       9.38084999       0.88550499      -0.24530564       0.32556272      -0.66249942
K        9.28036000       7.37637996       9.75812002       0.08612315       0.33071923       0.06795882
K        8.51692004       4.13166005       9.14326000       0.84481886      -0.16955943       0.16308996
K       11.13180000       0.67221104       9.78699002       0.01580590      -0.02555343       0.20260816
K        2.64963002       3.56026005       5.83087005       0.03058996      -0.09624654       0.54713731
K        2.55214994       0.32639105       1.93597998      -0.32044617      -0.50564406       0.78659897
K       11.93700004      11.82249995       2.31721995       0.27348649      -0.49720239      -1.11431744
K        5.04658002      10.35130006       5.21565997      -0.20783444      -0.46825575       0.28837682
K        8.03261003       2.43042002       0.73856797       0.09525677      -0.51465392      -0.18913717
K        6.13585996       0.51259107       7.50651005       0.33129894       0.17123374      -0.15750473
K        1.54184001       7.78125994       3.96139005       0.82811122       0.19560390      -1.43386077
K        0.46408806       4.17079003      11.22370005      -0.05682848       0.74311880      -0.61153438
K       10.34360000       6.76224995      13.00099996       0.03285982       1.37505116       0.70378093
K        8.00551001       7.26685999       2.28231995       0.54099678       0.09903781       0.30707333
K        2.70740997       0.00236605      11.19560003       0.99955006      -1.36506575       2.06815664
K       11.13620006       9.08643995       6.14722000       0.11496977      -0.52185714      -0.61239550
K        5.13308994       7.40713004      11.31259997      -0.09177945      -0.19968428       0.14188400
K        7.96035995      10.90029998       9.59374002      -1.18868640       0.16616456       0.92459528
K       11.98650000       3.34269006       4.98677997      -0.71330294       0.59143603       1.00064117
K        8.18748996      11.11620005       1.43521997       0.38610923       0.03361760      -0.10934421
K        3.99793999       3.05550999      10.08249997       0.50648742      -1.18509341      -0.03313157
K        1.64190000       8.73244994       9.08661993       0.02331611      -0.27542145       0.28858372
K       10.05450001      12.43389996       5.67456000      -0.56574368       0.89059320       0.05846463
Li       5.35466004       6.13999995       7.45586994      -1.15603412      -2.31533246      -1.68788781
Li      12.35430000       5.64066000       8.26029999       0.29428173       0.35993538      -0.01781632
Li       8.55658999       2.75083003       5.42862001      -0.42519999       0.12350187       0.30494375
60
Lattice="13.23443393 0.0 0.0 0.0 13.23443393 0.0 0.0 0.0 13.23443393" Properties=species:S:1:pos:R:3:forces:R:3 energy=-578.43795963 stress="-0.0059997343334096415 -0.00020607467723198975 -0.0007469623413943153 -0.00020607467723198975 -0.002434587160591777 -0.0019484240310792085 -0.0007469623413943153 -0.0019484240310792085 -0.0013722018293477773" free_energy=-578.43795963 pbc="T T T" config_type=melt 
Cl       3.19664001       9.96099000       0.44585101      -0.83479081       0.26197013      -0.53567363
Cl       0.78312103       6.61750005       5.85755000       0.59214912      -0.07822161      -1.44491228
Cl      12.55889998       3.82834005      10.00589999      -0.07107265       0.27610616      -0.04200274
Cl       0.99221899       1.60914001       0.43383599       0.68928090      -0.08307263      -0.14574775
Cl       6.74183994       5.77524995       5.61232004      -0.11815146      -0.26074231       0.26785049
Cl      12.48330000       8.41827004       8.11913001      -0.64634799       0.19811026       0.17346520
Cl      10.24559994       5.43028993       2.74548994       0.07429478       0.62220683      -0.31495020
Cl       7.69519999      11.55700000      11.53130005       0.15361866       0.35881043       0.45241185
Cl       0.14176607       7.19550998      12.92650002       0.23103510      -0.13302382      -0.10929144
Cl      12.78569993      11.62540006      11.45460002      -0.14029877       0.46200452       0.39710798
Cl      10.05930001       1.73865999       7.81156997       0.30264184       0.01669170       0.33323651
Cl       4.27142004       3.93056004      11.12280006       1.00524409       0.88888639       1.25223846
Cl       3.58155002      11.69950005       5.03687997      -0.05568543      -0.29177811      -0.40777934
Cl       6.53418002       7.27881002       9.53141999      -0.32512660      -0.07139178       0.08426739
Cl       9.37035005      10.51540002       6.94080999       0.61231480      -0.67741222       0.02727963
Cl       5.36265999       0.22433901       0.29366904      -0.97074204       0.42553546      -0.49940889
Cl       2.76796995      10.79379997       8.94969000      -0.95366846       0.47869966       0.99765069
Cl       8.78860999       8.25148996      12.00189998       0.42448230      -0.46926217       0.21364355
Cl       2.92228000       2.35239999       7.59301004       1.46772208      -0.02863374       0.20546307
Cl       0.77226204       2.34501001       3.99526994       1.10819991       0.05147008       0.81639094
Cl       3.60387003       7.68586005       7.31915996       0.67382495      -0.19763704       0.11122350
Cl       7.62127006      11.08649999       4.24812002      -0.28971259       0.05396202      -0.98122129
Cl       0.38995802      13.02950004       6.91331003       0.70088847      -1.20559885      -1.00286941
Cl       5.06144997       7.17775003       1.29051003      -0.61489550      -0.30206313       0.67701534
Cl      11.69870003      10.94840000       2.39488000       0.46558198      -0.36050327       0.36113976
Cl       5.79783994       0.14387894       8.76550995      -0.03272754      -0.21991958       0.28074334
Cl      10.87089995       5.33728998       6.78486998      -0.16819124       0.08507714       0.10171847
Cl       7.66133995       3.59725003      11.11490003      -0.12729484      -1.15560474       1.54450247
Cl      10.29669995       1.95756005       1.59051003      -0.66603236      -0.58595782       0.17326769
Cl       6.34423996       2.77943004       4.28345000      -0.54580782      -0.41533913      -0.26327548
K        5.29093995       9.82355993       2.10460003       1.08440530       0.87087904       0.66968738
K        8.26556995      13.02360000       7.02848997      -0.92381959       0.33050481      -0.62371951
K       12.32989994       0.11622903       3.84367995      -0.48136660      -0.16620367       0.25109321
K        1.42986002       9.45341002       6.77666000       0.16841756       0.45424475      -0.27268919
K        2.26363995       8.56902003       3.20784005      -0.27307642      -0.25066547      -0.19927533
K        4.07772999       4.79448999       4.50301006       0.22089835       0.34972172       0.47701963
K        6.66905002       5.83469003      12.78490005       0.38095008       0.07679780      -0.54585178
K        5.20584002      10.33790006       8.23371996       0.91208385      -0.46648337      -0.77891048
K        0.88970798      11.97829994       0.94193503      -0.09292831      -0.19405556      -0.53852557
K        4.75793000      11.70000004      11.40819997      -0.40988096      -0.17757644      -0.32669067
K        0.38035300       2.42649005       6.98252003      -1.71863158       1.61642755       0.00134379
K        9.37728000      10.01319997       1.13646996      -0.32098247       0.07517265      -0.37385073
K       12.66479994       3.43273000       1.95274999      -0.54476365       1.22779888      -0.72686920
K       10.69630005       8.00340004       4.57210002       0.38679833      -0.48351447       0.35716608
K        3.09945003       7.69919004      11.18639999      -0.18282949       0.18557846       0.19756121
K       11.92790004      12.28949998       8.85011001      -0.46429538      -0.18069209      -0.06373725
K        9.43310006       0.63939005      10.92579995       0.04189414       0.49367281       0.13221888
K        8.25594997       9.85829000       9.40771999       0.16243469      -0.95542155       0.44521179
K        1.91758001       2.89266002      10.99109997      -2.00648979      -0.94685029      -0.03571094
K        9.45792998       3.43376997       4.65815005      -0.14293435       0.25937760       0.30528893
K        7.10254999       1.44911003       1.86828995       1.51246324       0.29944591       0.51607077
K        4.42797995       4.85502006       8.62781003       0.27232333       0.67871827      -1.49441257
K        7.16781005       8.50345995       5.38283006      -0.04711235       0.08380115       0.43730229
K        3.58503002       1.67226999       3.03857997      -0.16190541      -0.50062458      -0.09151676
K       10.23759999       5.46600994      11.87589996       0.62674060      -0.02821647       0.21988928
K       12.32189999       8.95513001      10.80639995      -0.18587278      -0.36940122       0.74834998
K        8.25439003       4.70303000       8.85095000       0.69366771       0.73592457      -2.09737477
Li       3.12696005      13.11887694       6.70161996      -0.39970374       0.30123405       0.63163331
Li      12.98679994       6.27798997       7.71593001      -0.85300659      -0.37893364       0.00508140
Li       5.31047000       2.11277005      11.53500000       0.80578940      -0.58403001       0.05073292
60
Lattice="13.23443393 0.0 0.0 0.0 13.23443393 0.0 0.0 0.0 13.23443393" Properties=species:S:1:pos:R:3:forces:R:3 energy=-575.27912465 stress="-0.011032899269977914 -0.0008140328557214708 1.6994424738518818e-05 -0.0008140328557214708 -0.009911793677322894 -0.001856542032497495 1.6994424738518818e-05 -0.001856542032497495 -0.0089717945159021" free_energy=-575.27912465 pbc="T T T" config_type=melt 
Cl       6.84278995       5.09755999       5.50416997      -0.65510467      -1.06080247       0.93326320
Cl       9.41039996       1.64266006       7.78426998      -0.23296206       0.13130640       0.57843256
Cl       6.91879001       9.93237001       3.01129997      -0.56333387       0.35268685       0.91266840
Cl       2.44150002       2.27446995      10.94859997      -1.67735104       0.20778495      -1.08720217
Cl       7.97118002      11.77699997       8.02831003      -0.14108115       1.06390145      -0.32924163
Cl       4.94504002       1.86464003       3.87493003       0.71581473      -1.03075576       0.95373932
Cl       1.02482996      10.90930005      10.00709996      -0.07218940       0.55716824       0.56907569
Cl      12.82740005       1.33199998       6.40944006       0.57329338      -0.85195046      -0.46154063
Cl       1.12647994       0.01496603       1.85247996      -0.04429247      -1.10151119       1.54805391
Cl       3.44427003      11.63870000       5.58868996      -0.29237046       0.00897490       0.20738417
Cl       1.58287006       7.29806004       8.78809994       0.20206338       0.13984896       0.15592744
Cl       6.76520996       8.53601004       7.91023003      -1.30427930      -1.16019175      -1.10417908
Cl       5.46867998       1.18492995       0.21352595       0.01089040      -1.45479209      -0.32100718
Cl       1.38547001       9.25495002      13.14576719      -0.39963141      -0.24370616       0.44517143
Cl      10.63319999       6.27227005       1.38966996      -1.76993672       1.32834867       0.94257325
Cl      10.23809999       9.17327001       8.73963994      -0.64384138       1.22657825       0.00205538
Cl       1.74058997       4.75418003       2.16819003       0.26484707      -0.14230188      -0.37791487
Cl       5.74621996       4.02468995      12.05660001       0.07029559      -0.02997044      -0.90317979
Cl       4.40492001       7.69619998      11.27409995       3.59980978       0.83827401       0.32622794
Cl      11.75920005       5.35325997       4.91615004      -2.35808928       0.31388235       0.36767599
Cl      10.80050004      11.32960000      12.93249998      -0.16085226       0.42661013       0.31010045
Cl       6.44338995       5.76323004       1.61908000       0.76968812       1.26194772       0.15647273
Cl      10.93309993       1.64463000       1.31387000      -0.13658841       0.06553816      -0.13338667
Cl       8.73024005      13.09040001       3.79576998      -0.56592487      -0.25676330       0.10146861
Cl      10.23670005       5.85951002      11.12750001       1.51849651       0.93320607      -1.26580244
Cl      10.59139995       9.20986004       3.54413006       1.32146724      -0.41956372      -2.91874347
Cl       7.84298005      10.42160005      11.54110002      -0.24464201      -0.16611535       0.17446064
Cl       3.02933996       3.78663002       7.19941996       0.14135317       0.33465993       0.13853489
Cl      11.88060004       2.08767002      11.06840005      -0.00537454      -0.54993050      -0.03881392
Cl       1.80085998       7.70990000       4.89567995       0.08280896       0.94856404      -0.11097157
K        7.73766002       6.10652994      11.03950002      -2.38043059       0.37160858      -0.13257998
K        0.07696604       2.90661996       8.49069005       0.27017804       0.66152581       0.98663970
K        0.04625686      12.51009999      12.31279999       0.01370779       0.03360529      -0.67205172
K        1.00380998       5.06788005       5.02094995       1.99327484      -0.83320811       0.31369106
K        5.15256997       3.43132001       1.82292006      -1.22489038       0.60534878      -1.24551750
K        1.12367001       1.90163000       0.18463504      -0.43499943       2.48411104      -0.71903126
K        7.66922000       2.91104000       3.36783006       0.60926004      -0.25065157       0.39062424
K        3.92783004       7.15002998       0.71482102      -0.38963683      -0.37586792       0.64579049
K        4.45052004      10.63489995       8.16147993       0.24361226      -0.32906029       0.69868215
K        6.01215003       3.52374003       8.10114005       0.00042228      -0.01334130      -0.19062779
K        4.48023995       6.88175993       5.93632003      -0.20071521      -0.07813294       0.31464016
K        1.22694002      10.45739999       7.40040999      -0.14388580      -0.50578533      -1.12924916
K       10.87519995       8.54067002      12.88109995       0.37592078      -0.26934361      -0.92987468
K       12.58000004      11.07140003       2.15902002      -0.51064560      -0.33477969       0.02338640
K        7.81729995      12.43999998       0.92390404       0.14562408      -0.15276826       0.22438182
K        2.90770003      11.24149996       1.22517005       1.13717060      -0.14435770       0.16868014
K        9.44021000       9.93379999       5.48910998      -2.08211902       1.38519843       3.26863397
K        7.98490003       6.75990004       3.90492005       1.10472498       0.98069378      -0.70463617
K        6.33135994      11.93809995       5.67771998       0.33723621       0.43116196      -0.92870590
K       11.32299999       0.84404296       4.13345000       0.01123757       0.45627678      -0.21580111
K       12.46449996       7.33999996       2.93013993       1.83326253      -0.35922325       0.58211668
K        7.96681994       8.52925003       1.03893999       0.32045608      -0.51312107      -0.96209705
K       10.96920003      12.42809997       9.06486994      -0.03563041      -0.01738107      -0.24485257
K       11.93730006       7.28885006       8.14924999       0.67379490      -1.27365882      -0.23177010
K        2.57974996       1.88607994       5.15549002      -0.83259198      -0.60882974       0.08294163
K        8.86816006       0.96327701      11.06319998       0.13569459       0.22654984      -0.18195976
K       11.12420000       4.40124996      13.05873597       1.10361276      -2.91006679      -0.23090386
Li       4.17539006       1.78114994      11.63539999       2.31443347       0.13631005       0.98850370
Li       7.80876003       9.93301995       8.90048000       1.22016662      -0.07504792       1.60354274
Li       2.64067004       7.32345003      10.92029999      -3.61122816      -0.39869095      -1.34389886
60
Lattice="13.23443393 0.0 0.0 0.0 13.23443393 0.0 0.0 0.0 13.23443393" Properties=species:S:1:pos:R:3:forces:R:3 energy=-577.80095727 stress="-0.008947365036972084 0.00334718361907082 -0.00028783479549822176 0.00334718361907082 -0.013239753086278465 -0.00026502822128809836 -0.00028783479549822176 -0.00026502822128809836 -0.006719501402176496" free_energy=-577.80095727 pbc="T T T" config_type=melt 
Cl       5.82270003       1.26337997       1.87913994      -0.03548217      -0.21324350       0.09140005
Cl      11.86049998      10.12940002       2.43864998       0.53195784      -0.21911621      -0.54412029
Cl       7.84860997       3.57099000      12.16149998      -0.05418027      -0.08135976      -0.06251206
Cl      11.22409999      13.15879993       8.70241995       0.18980519      -0.57990117      -0.42776460
Cl      12.19580005       4.56163000       8.87150996      -0.10525711      -1.37255974      -0.77555093
Cl       5.07202004      12.32200004      10.35510006       0.41063555      -0.33809367      -0.47152828
Cl       2.53456006       8.17185996      12.85490001       0.38421270      -0.66179083      -0.68847667
Cl      12.89190005       2.42860994       5.45899000      -0.32980365      -0.01314910      -1.18757751
Cl       4.48349006       6.87725996       8.63791995      -1.52791735      -1.42728076       0.35005843
Cl       1.69075995      12.42390002       6.20333003      -0.30937283       0.16780606       0.46249413
Cl       5.55542005       9.18734999       6.04387005      -0.57184829      -0.40536268       0.04900597
Cl       0.72501405      12.39990004      11.68990005       0.06541971       1.41048023      -1.71125255
Cl       3.48293006       9.05588005       2.60283994      -0.32753303      -0.11968829       0.35688795
Cl      11.71720004       8.65497000      11.22709997       0.40553678      -0.45366797      -0.14621540
Cl       7.37617999      10.57180002       3.32610004       0.17109744       0.18025461      -0.01855896
Cl      12.09699998       4.34208000      12.19639997      -0.33098454      -0.06435486       0.22920601
Cl       8.06487002       7.16804999      12.46099998      -0.39893103      -0.05015571      -0.19155632
Cl       8.67120998       3.10557003       3.32121997      -1.30159825       0.22943198       0.49336752
Cl       9.53789004       9.65974993       7.01255002      -0.01635210      -0.13210828       0.26941010
Cl      10.28789997      12.53040003       4.97878002      -1.01155507      -3.78909631      -1.50762555
Cl      12.49600003       5.96041993       2.69882003      -0.26888911       0.14784846       0.07585948
Cl       9.48861004       1.79684002       6.88410005      -2.62183451       1.33085773       1.31005439
Cl       4.53395997       3.89609996       6.31590001       0.36368233      -0.06702731       0.05742916
Cl       0.93273405       8.18047002       6.93092996       0.15619118       0.12975538      -0.18803061
Cl       2.78721003       1.70770002      10.34720003       0.05008758      -0.04745670      -0.20561526
Cl       6.69187002      10.07430005      12.02689996       0.09615376       0.42078078       0.71198684
Cl       2.15533000       0.51050505       1.93774995      -0.82668939       0.50075391       1.38253183
Cl       3.97802997       4.41867998       0.80399305       0.06172469      -0.52014557       1.01574839
Cl      11.12170001       0.76544604       0.96946000       0.07452930      -0.09391467      -0.08482879
Cl       8.89207998       5.99304003       7.20605002       3.27518000      -1.61900233       0.04440907
K       10.25790003       4.05489001       5.67370995       0.89951651       0.51318671      -0.50012460
K        9.60500001      10.35180005      11.88049999      -0.38322245       0.36073208       0.12936247
K        8.96767996       0.08213554       2.93314005      -1.31836304       0.46875174      -1.45009270
K        5.44027995       8.99674000       9.78042005       0.13284627       1.46031857       0.38069375
K        9.91761997       8.97222996       4.02935006      -0.52351411       0.12974547       0.82168116
K        0.77566104      10.36870003      13.12260005      -0.45962423      -1.74693842       1.45429373
K        5.86561004       1.39794995      11.99210002      -0.21229712       0.24958945       0.06451355
K        7.11801999      11.35220005       6.65863995       0.85170057       0.42393865      -0.15852022
K       12.26070000      10.66579997       8.32135997       0.30898130      -0.74968579      -0.28846231
K        5.20584995       6.13710995      12.28089998       0.17097899       0.27762822      -0.69770988
K       11.03509997       1.98354996      10.33719996      -0.28308463       1.08222668       0.93115025
K       10.32129998       6.88851995       0.66455797       1.03128938       0.02185219       0.06074096
K        3.50950004      10.80150003       4.81684997       0.18635368       0.28760090       0.06027514
K        6.72807997       6.90469997       7.24337006      -2.35660466       1.35569664      -0.59689529
K        3.39424003       2.93930994       3.92860995      -0.55497503      -0.75615183      -0.61850894
K       10.53529998       3.62030997       1.51484004       0.75732121      -0.05521808      -0.83073818
K        6.69462001       2.72949996       7.92782997       0.20271772       0.09489081      -0.00512510
K        0.98753096       5.63380006       0.29503404       0.63514002       0.33565427       0.14497631
K        0.61844404       1.63035005      13.16930000      -0.19620305       0.37188994      -0.58243888
K       10.18380003       6.18106005       9.79266004      -0.63660583       0.36174251       0.63436383
K        0.81766197       8.41006005       4.04168006      -0.40897779       0.00039654      -0.45685237
K        0.30727894       6.78813994       9.41009994       0.90427920       0.77101938       0.36890512
K        0.35276609       1.93515005       7.98511006       0.64560383      -0.27004569       0.77944763
K        6.10698997       8.76964995       1.43066997       0.11640589       0.04116027      -0.25869813
K        3.69181999       6.49005999       5.54081003      -0.26350020       0.76064478       0.41774639
K        4.00498004      12.36750003       0.79489994       1.04957818      -1.05610967      -0.79954295
K       12.55529995      12.76049998       3.61664006       1.43165757       0.54357236      -0.52467659
Li       3.12734994      12.54979588       9.54417997      -0.77681650       0.89087335       0.26469955
Li       6.17464002       3.42202004       1.92352995       0.38436013       0.00542428      -0.41088104
Li      10.72669994       0.44535604       6.27843994       2.46707285       1.57611997       2.97778184
60
Lattice="13.23443393 0.0 0.0 0.0 13.23443393 0.0 0.0 0.0 13.23443393" Properties=species:S:1:pos:R:3:forces:R:3 energy=-576.12340979 stress="-0.0029942576166194423 0.005022067052746249 0.002805588155290601 0.005022067052746249 -0.009698966923035507 0.0003025602881147721 0.002805588155290601 0.0003025602881147721 -0.008728947182500293" free_energy=-576.12340979 pbc="T T T" config_type=melt 
Cl       7.81506002       1.10326000       0.81629194       0.16290318      -0.46033904       0.65983731
Cl       5.30465995       9.80203002       6.44770001      -0.85965783      -0.18245775       0.52386098
Cl       7.74315999      11.26420006       9.30626998      -0.24481534      -0.21929777       0.08028870
Cl      11.77819993       9.39710994       9.48601000      -1.12952730       0.79899878      -0.93220510
Cl       8.80065002       5.52466998      11.16670000      -1.52397804       3.62043378      -3.15278678
Cl       3.97897001      11.41659999       3.30059000      -0.93665009      -0.26737508       1.50408314
Cl       4.06786002      11.41940000      11.59669999      -0.13722300       0.43083603       0.63309008
Cl       1.79042000       2.65536000      12.51029997      -0.09674952       0.36437423       0.84324199
Cl       4.99116996       6.56433998       4.20087005       0.23782153       0.32563406      -0.16981526
Cl      10.51279999      10.92449993       4.13914002      -0.38029453       1.19266803      -1.39166144
Cl       5.43643998       0.88264701       9.09326005       0.18054255       0.23635335      -0.42824919
Cl       0.40854698       6.15458006       5.40808004       0.15569231       1.05608806      -0.43450611
Cl       9.44474001       4.50751003       1.35801994       0.00889354       0.22067732      -0.02902743
Cl       1.69687994       8.66555993       8.33852000       0.34048246       0.05805792       0.55183305
Cl      11.03099994       3.25086996       4.55208003      -0.09491278      -0.09201360      -0.02492728
Cl      13.05969996       5.21588999      12.28650000      -0.58301477       0.58091247       0.92380443
Cl       9.96056994       2.09170996      10.94219993      -0.33393575       0.21036603      -0.01481031
Cl       3.64562003       3.35342001       4.62115994       0.56907919      -0.31150002      -0.01851757
Cl      11.91819999      12.67419996      12.22449998       0.29215363      -0.58705703       0.58644958
Cl       1.13410999       0.73173701       4.14579998      -0.67609740      -0.25028983       0.25381975
Cl       6.03818004       4.59199005      12.95449998      -0.36846816       0.17854567       0.93351949
Cl       3.93120006       3.98482996       8.34983001      -3.85764007       1.65846397       2.62540512
Cl      11.91550004       2.49156998       7.67098997       0.06450399      -0.07188499      -0.00897623
Cl       1.87966005       0.58176997       7.94830999      -0.81537006      -0.20067117       0.30698156
Cl       8.41035995       4.72681995       7.50159001      -0.89614405      -0.46864312       0.11275343
Cl       7.08440003       1.37685995       5.26254997      -0.34975532      -0.43603620      -0.58934706
Cl      10.35830001       7.13750002       5.69317000      -0.98682883      -1.53618380      -0.17893845
Cl       7.56983006       8.65911000       1.93269996       0.02549346       1.42730336       1.11060374
Cl      10.77629995       8.91445001       0.95156202       0.50236426      -0.24744136      -0.22692168
Cl       2.34415996       8.27170000      13.10519995      -0.32050176       0.72548115       0.03072671
K       12.89840001      10.44239995       2.43618004       0.18014373       0.04289602      -0.32352705
K        2.87339002       1.19555998      10.60320004       0.63503356      -0.68207145      -0.52361666
K        9.48176003      11.60610002       0.79941606      -0.11541758      -0.23462329       0.08339391
K        5.30383002      10.07519999       1.58764002      -0.60874081      -0.62037272      -1.95362238
K        5.64849994       3.12332998       7.03628002       3.05846052      -1.36615777      -2.56359494
K        8.15849001       7.07555995       0.09336006       0.50226192      -1.22983489      -1.35805427
K        7.01207993       9.71590999       4.44751000       0.55847492       0.36730021       0.15527032
K        1.95585002       8.74596005       5.62397005       0.38641749       0.36364791      -0.63340017
K        0.79282703      11.00829997      10.66790001       0.36805541       0.04901304      -0.04321600
K        0.44545702       3.85859000      10.03009995       0.02245164      -0.60655414      -0.36687256
K       10.12660002      12.52640005      10.01239995       0.45536501      -0.03102019      -0.13041055
K       12.90250003       7.90532005      11.37770002       0.52624749      -0.51027577       0.93198091
K        2.61862002       5.68708004       0.78533899       0.26179339      -0.90273653      -0.10890484
K        8.98833004       1.63747997       7.32855998       0.22957761       0.11425027       0.36748984
K        7.16599997       3.48989998       3.15130003      -0.11015617      -0.80102314      -0.44457293
K       11.39370006       1.17707002       1.26021999      -0.00268083       0.89055068       0.07736532
K        4.38069993      10.94390003       8.85346997       0.20718558      -0.03760296       0.07026569
K        6.57197002       0.26146199      11.62810001       0.00257489      -0.23566368      -0.25762188
K        1.19266998       3.69242004       6.13474006      -0.03413268      -1.39947016       0.06733133
K       11.98519998       5.75270999       2.37166998      -0.11529762      -0.10955294       0.14692297
K        4.07478004       0.15560597       6.37781003       0.40360643      -0.10918219      -0.68977617
K        3.40948994       6.17376999       6.63481003       0.04042652       0.28922770      -0.12881582
K        7.77971005       6.32021006       3.43023994       0.54946028       0.02671682       0.53248512
K        8.96669002       7.23452999       8.77665004       0.25278527       0.67754835      -0.01711709
K        6.01258001       4.54757000      10.21609999       0.39051715      -0.07067426       0.01277328
K       11.10700000       9.54537994       6.21493001       0.90215104       0.39247661       2.01806809
K        4.43627000       0.72633803       2.81256006      -0.08512660       1.48743943      -0.22686095
Li      10.43020005       4.74570999       6.78663995       0.86277531      -0.19293380      -0.98466466
Li       9.52201005       4.13186994      12.02709993       1.89745232      -3.96806071       2.42947684
Li      12.50519995       0.95249597       5.72225002       0.42996932       0.65274009      -0.21778390
60
Lattice="13.23443393 0.0 0.0 0.0 13.23443393 0.0 0.0 0.0 13.23443393" Properties=species:S:1:pos:R:3:forces:R:3 energy=-574.67866911 stress="-0.009132519111840482 -0.00022190621519771963 -0.002259690169609545 -0.00022190621519771963 -0.009326823863238338 -0.004458565265066187 -0.002259690169609545 -0.004458565265066187 -0.014218459534520752" free_energy=-574.67866911 pbc="T T T" config_type=melt 
Cl       4.02504001       2.58409998       8.54613995      -0.18499576       1.38234451       0.13437702
Cl      12.84979999       4.48515006       0.03290239      -0.13478013       0.35102932       0.44261074
Cl       8.01420000      11.75929997       5.07557997      -0.12340158       0.13313736      -0.14364439
Cl      12.61449996       8.62663005       9.11016995      -0.24158776      -0.31154500      -1.25502155
Cl      11.95839998       1.51274000      12.03760000      -0.42558638      -0.44189397      -0.31247720
Cl       1.88814001       6.29673999      10.22639996      -0.26665098      -0.24734052       1.45149430
Cl       3.99781995       2.39568003       3.75437995      -0.39403005       0.45008624       0.05882475
Cl       6.66493001       1.89654004      10.65919996      -0.71693186      -0.35477758      -0.28158510
Cl      11.62030003       0.97834997       3.44115994       0.60990201       0.53852418       0.45187054
Cl       1.80126006       7.91348993       4.62382998       0.13735502      -0.63078739       0.17933037
Cl       0.13756612      12.74149997       9.11089003       0.76571200       0.72165335      -0.40300081
Cl       1.56294006      11.96259993      13.06090006      -0.93538709      -0.13231111      -0.19511110
Cl       8.96997997      12.23639999       8.58024998      -0.21204353       0.74615891      -0.00268949
Cl       5.77613997       5.39970000       6.86048002      -0.13683608       0.02789450       0.15737255
Cl       8.11545997       2.80680004       6.20126996      -2.11834036      -3.10569258      -1.99168231
Cl       5.05470001       8.61168996       6.42109999       0.01441569       1.53213219      -1.79916409
Cl      11.75829998       8.43793005       3.05995994      -0.64995895       0.03341208      -0.38027683
Cl       6.43726003       7.98065998       9.85789005       0.38554974      -0.26932185       0.07640163
Cl       6.55591004       7.07373995       3.08537005       1.61603651       0.21130767      -0.04772508
Cl       2.25212996      12.31299997       4.74326996      -0.15988666       1.84613457      -1.22164330
Cl      12.07130003       5.42610997       5.61489996       0.32421362      -2.16787196       0.23050023
Cl       3.48736995       1.92832002      13.18550729      -1.01376340      -0.55573304       1.83749072
Cl      11.09299995       8.85846994      11.88199998      -0.73181190       0.72020100       0.77801440
Cl       8.71941005       5.39670001      11.03670001       0.64582031      -0.43966537      -0.58522964
Cl       9.73021006       7.34484005       6.93112000      -1.67366697       0.10678624       0.38832436
Cl       8.47235996       1.46451002       1.50833995      -1.11313523       1.00024599      -0.47571665
Cl       3.75821000       8.91500996       0.39417094       0.24285773      -0.75589632       0.12716879
Cl       5.54286997      11.26360001       9.06099000      -0.83882367       0.20532621      -0.16972204
Cl       6.74265994       6.08166005       0.34646610       1.21792773      -2.12413004      -1.99173321
Cl       7.33118000      10.51470006       0.55955398       0.07588053       0.24461151       0.22701692
K        9.45555995       4.29169995       7.42934999       2.02731784       3.20670891       1.87605741
K        9.22008999       6.83593001       2.12799997       0.50977384       0.08129756      -0.59420180
K       11.20129997      11.27719998       9.78529005       0.19054294      -0.87108859       0.27802613
K        1.37542004       9.40416006      10.76080004       0.75669478       0.17867325       0.56700695
K        9.79072993      12.55620003       2.27676996      -0.36998714      -1.40318624       0.32334967
K        9.04760006       2.62342994      11.69679996       1.06726289      -0.16509386       0.91774784
K        7.86498004       8.49826001       4.79507999       0.74367068       1.05526231       1.04786212
K        6.10595000       0.63897395       3.50684005       0.95941913      -0.40609324      -0.05537685
K       12.09810002       8.00169002       5.94669000       1.09157673       1.67817408       0.01432780
K        7.72453993       9.84200000       7.62545995      -0.03696086      -0.25646135       0.31457484
K        1.26366994       8.76696005       1.89056999      -0.28428229      -0.03719749      -0.05491050
K       11.68020001       6.24701001      11.14220002       0.55691142      -0.17238083      -0.08227824
K        4.60125005       6.41133999       4.38231996      -2.64092538      -0.94590231       1.52036270
K        3.79765999       0.99686905       6.53411001      -0.85077564      -0.78042336      -1.57413119
K       11.87029995      11.83130005      13.03880001       0.19926850       0.10576339      -0.16231213
K        1.07344997       1.39703995       2.07100005       0.31184476      -0.11383091      -0.29509131
K        5.96917001       4.67599006       9.65403994      -0.01352193       0.19858101       0.42499501
K       10.35610005       0.67150697       6.32733998      -0.08796247      -0.37531775      -0.27947171
K        6.47451999       0.34370301       7.74578001       0.71140262       0.52367243       0.11554885
K        6.82718999      12.25220005      11.39509999       0.36669338      -0.24274533       0.19375888
K        0.04189228       3.37349996       9.18911996       0.23777847      -0.46169381       0.65988316
K        2.80036003      10.17540001       5.94678000       0.01922788      -1.05860031       1.24554548
K        4.01171002      11.64069999       0.85810402       0.95221897       0.20120319       0.40943254
K        2.05593000       6.01136999       7.70879003       0.25989023       0.13788168      -2.04442130
K        3.40951006       1.28564995      10.80639995      -0.49873568      -1.38953561      -1.50177712
K        5.27571003       3.34453997       1.06802001       1.43863643       1.16722120       0.67068781
K       11.87880003       4.18763998       2.94752005       0.07445642      -0.15998010      -0.24045020
Li       5.51712000       7.44017999       7.87121994       0.77399736      -1.49178861       1.73469910
Li       5.77888003       7.45463001       1.26166995      -1.85157375       2.40419362      -0.60276312
Li       8.56385000       7.52412998      11.32100000      -0.57791266       0.67866800      -0.11105535
60
Lattice="13.23443393 0.0 0.0 0.0 13.23443393 0.0 0.0 0.0 13.23443393" Properties=species:S:1:pos:R:3:forces:R:3 energy=-578.59094549 stress="-0.006728253477208648 -0.0009334123345610113 0.0031461178028444245 -0.0009334123345610113 -0.005269953917929495 -0.00022570978461752375 0.0031461178028444245 -0.00022570978461752375 -0.008980867622956143" free_energy=-578.59094549 pbc="T T T" config_type=melt 
Cl       0.47917002       2.43666005       0.34824494       0.45466327      -0.91521954       0.14587622
Cl      10.53329999       8.15435994      11.65800004      -0.77106061      -0.16737470      -1.77370399
Cl      12.32980002      10.62900004       0.44626299       0.01934850       0.22054803       0.27360276
Cl       2.61371005       6.50651000       6.54285996       1.92517954       1.36138270      -2.50591844
Cl       8.30729997      10.53190005       0.24360702      -0.85667845      -0.19246956       1.19535805
Cl       0.37150896      11.90219996       4.43514997       0.60200715      -0.58412462      -0.88812879
Cl       3.27157999       0.48192397       2.16018995       0.04284924      -0.38401787       0.57694258
Cl       9.63033998       1.58555003      10.12280001      -0.05239690       0.02848667      -0.49249767
Cl       1.73102002       1.39346003       6.89684004       0.52019793       0.07217716      -0.10057689
Cl       0.98593806       4.31756996       4.05772998       0.34915557       0.32903949      -0.54835168
Cl       6.24116000       1.69005998       0.83959394       0.11705627       0.52766016       0.16062457
Cl      11.42189999       7.12553000       2.94108997       1.27859516      -0.45494178       0.91105378
Cl       1.09876003       3.90974003       9.18775999       0.06552678      -0.81040208       0.34212065
Cl       2.65291004       8.60242996      10.28759995      -0.28193172      -0.59567476       0.59419488
Cl       4.45020003       9.77828996       2.19843998       0.22363674       0.16407914       0.31597399
Cl       6.27054997      11.84729996       6.23384003      -0.59208662       0.46855127      -0.16197183
Cl       5.83051999       4.30318996       4.70745996       1.66445024       0.30869154       0.48094047
Cl      12.65879998       9.16101003       6.78247997       0.31659996       0.06165407       0.28209683
Cl       7.99912003      11.02150000       9.84753001      -0.34937748      -0.21312128      -0.60905417
Cl       7.05696002       6.79676999       2.15367000       1.18844200      -0.24410294       1.03099417
Cl       5.63273006       8.67727995       7.26737005       0.24376129      -0.15780942       0.36682034
Cl      10.04870002       3.89864997       0.44175495       0.09713888      -0.31310661      -0.56471833
Cl      10.88140002       0.27040900       5.36538999      -0.02113301       0.85469005      -0.73515770
Cl       4.41084003       7.35624999      13.01739993      -1.39201846      -1.02892901       0.26702314
Cl       9.83459997       5.46398996       6.15776003       2.64297010      -1.78786342       0.99215190
Cl       8.37527004       9.04712997       3.99809999      -0.03219262       0.63098438      -0.08413966
Cl       6.55423998       5.07259998      10.28709995      -0.01060460       0.00847093      -0.06657845
Cl       4.05961999      11.57450003       9.89615001       0.17847711       0.44402881      -0.26128689
Cl       0.17071904       6.65595998      11.60230001       0.36109279      -0.47684745       0.27240399
Cl      12.19259997      12.54139996      10.06360001       0.68678479       0.31562944      -0.33460099
K       10.05400001      11.82170006      11.86499995       0.14313122       0.19860610      -0.28804839
K        3.45801995       4.08465001       6.07456997      -0.49041180      -1.11133541       0.88686598
K        0.92036396       7.75795000       4.33776002      -0.32852833      -0.31496977       0.34717289
K        7.85529005       7.71602000       9.00874005       0.15525323       0.29411247       0.19269444
K        8.78543002      12.85959995       6.94180999      -0.44140560      -0.50582833       0.99197685
K        1.81463994       0.37051307      10.07960004       0.23686397       0.14484848      -0.00049126
K        3.47037006       5.23255002      10.95819996      -0.24061454       0.24134874      -0.22601245
K        6.17359000      12.25479996       2.22423998       0.01088968       0.19435005      -0.17720911
K        2.89624006       9.69085006       7.88407998       0.18307925       0.08913479      -0.94274988
K        3.37287000      12.23589999       4.90306000       0.01345189       0.33943205      -0.17553566
K       11.91500004       0.61728801       2.08460002       0.51992026      -0.05648855       0.03975256
K       12.25920001       2.59184001      11.23990005      -0.46528297       0.21342290      -0.51780239
K       12.57920002       3.42193997       6.11137996      -0.04624009      -0.23603452       0.41407322
K        6.22292003       5.19415997       0.43175700      -0.43094624      -1.68007819      -1.38461229
K        7.46310997       2.59494004      11.67950004       0.21189293      -0.12990910       0.16943233
K        9.98962998       8.00688004       0.91677703      -1.10200652       0.63748147       0.60033233
K       10.92060001      10.63500000       4.00181000      -0.03236598      -0.50187141       0.02392158
K       13.00409999       4.97930000       0.89817405      -0.41644388       0.86656442       0.40420868
K        9.46998999       4.85834005       2.95075005      -0.24717526       0.23498045       0.61779753
K        7.76683004       6.55093998       5.47781995      -3.03460525       1.89094380      -1.05422879
K        1.75605004      10.17149995       1.61829996      -0.39055072       0.82229983      -0.03325921
K        3.84303994       3.32631999       3.30408998      -1.01629547      -1.10965893      -1.65284081
K       12.18449997       9.61006006      10.04609998       0.51127246      -0.15697502      -0.29860857
K        8.77226997       3.32182995       7.90579001      -0.21163016       0.21485951       0.13871486
K        1.05521000       6.50736997       8.33395002      -2.75126154       0.92113088       2.81326335
K        6.16458000       9.13803002      12.12600006       0.44983582       1.07434839      -0.77532136
K       12.98900003      12.64910006       7.08281997      -0.24589499      -0.55603475       0.39933285
Li       5.92991006      11.25350002       8.49776002       0.20867142      -0.35728000       0.02521440
Li       6.39795005       8.72573995       2.23704998       0.25631673       0.99912132       0.64583650
Li       1.73541001       8.01751999      12.18490004       0.37262766      -0.13059049      -0.26536299
60
Lattice="13.23443393 0.0 0.0 0.0 13.23443393 0.0 0.0 0.0 13.23443393" Properties=species:S:1:pos:R:3:forces:R:3 energy=-579.90117216 stress="-0.0003381746325379909 -0.0018092873234865766 0.0018286291423582858 -0.0018092873234865766 -0.0026052854446944633 0.00039102703276694823 0.0018286291423582858 0.00039102703276694823 -0.010076034702053744" free_energy=-579.90117216 pbc="T T T" config_type=melt 
Cl      11.50670002      11.04649998       2.97184997      -0.05523717       0.10013522      -0.91044575
Cl       9.76813002       7.39821003       3.60758996      -0.29474896       1.04654387       0.74119730
Cl       8.03887005       2.32704003       9.70898004      -0.22644613      -0.47888513      -0.35070698
Cl       2.17122998      11.55309995       9.24972996      -0.16663835      -0.20796546      -0.80389153
Cl       3.74363002      11.40969996       4.31301004       0.12611959      -0.17553682      -0.24281893
Cl       2.08617002       7.55758001       5.90547003      -0.70155898      -0.88496411      -0.40783639
Cl       4.41721996       2.26807997      12.50840003      -0.01644115       0.14718112      -0.07899585
Cl       5.89714002      11.58030002       9.95417003      -0.44926995       0.21960246       0.24372911
Cl       0.92938203      10.36329998       1.08714999       0.07649187       0.35974078      -0.46465827
Cl      12.96909994       0.54005794      11.15770006       0.49234519       0.64844949      -0.38320922
Cl       9.77411000      11.69199996      10.84250004      -0.22175859       0.61592290       0.19665147
Cl       0.78572596       5.59628004       1.01536999      -0.75860266       0.52552268       0.84645492
Cl       9.04107998       2.81622997       0.75209197       0.11580734      -0.29039945      -0.23572525
Cl      10.60880006       6.23468002       8.70673993       0.82846719       0.15020155       0.08291750
Cl       7.46505993      11.46880004       6.92353998       0.09322772      -0.40041801      -1.61405806
Cl       0.18545598      13.09804488       5.33964994      -0.09925670       0.14731464       1.71923812
Cl       2.61657001       4.45138994       3.44514999      -0.20089963      -0.72198001      -0.73052525
Cl       2.77308003       7.79336998      12.18230001      -0.21430966      -0.45471418      -0.26460531
Cl      10.55649996       7.27872995      12.73910004      -0.42920268       0.22852203      -0.38069709
Cl       7.46144998       4.21641005       4.55597003      -0.30891916       1.66502100      -0.95505117
Cl      11.76150006       9.97224999       7.78551997       0.05064763      -0.28751473       0.40471552
Cl       0.33816798       1.05210004       2.36415997       0.92625997      -0.05214841      -0.78090282
Cl       3.02021005       3.30790004       7.51682999      -0.35484520      -0.09295003       0.16876575
Cl       5.92526001       7.46442005       2.13315994       0.17287494      -0.02732064       0.16725152
Cl      11.17110005       4.27711005       4.05801995      -0.84168498       1.36572447      -0.51099034
Cl       9.51543994       0.91790500       6.06200004       0.10629956       0.58506430      -0.34563283
Cl       6.87536002       6.24012003      10.59039996      -0.08138308       0.48664116       0.50414034
Cl       5.64083998       1.70215003       5.96280994       0.44094791       0.16167478      -1.09166500
Cl       5.77943998      11.00149999       0.49139003       0.05110334       0.35094409      -0.24218247
Cl       5.06280001       7.24960996       7.10244994       0.77177489      -0.06524724       0.38072043
K        4.37027993       0.41253094       7.94504996      -0.26463842      -0.36540802       0.84965299
K        3.43526003      12.23099994      11.51899997       0.08965589       0.01601834       0.34441911
K        2.94777998       0.92654894       4.76462993      -0.14298747       0.74386769       0.06341982
K        8.64624004       5.29009003       2.30388004      -0.16381470       0.08472875      -0.56372516
K       10.57139994      11.21899997       5.49908001      -0.59955739       0.16564620       0.43233571
K        7.29021003       0.19941896      11.79250000       0.13157679       0.31324637       0.10569652
K        4.46522006       4.99212999       5.28354005       0.48059904       0.05448187       0.70634371
K        2.89078999       0.53176194       0.83698398      -0.36446847      -0.29765207       0.73227484
K        3.01324000       8.77160004       2.47756994       0.15752745      -0.03506983      -0.03414847
K       11.97770002       2.89548994       6.00904999       0.63776616      -1.45833551       1.38193463
K        6.30524999       9.09228996       5.50195003       0.13311700       0.38037318      -0.54989596
K       11.96760003       7.39771003       1.97003006       0.85772990       0.43054255      -0.01364269
K       12.85234987       8.89735999      11.43490004       0.55303831       0.04883111       0.03121070
K        5.14983997       9.14813994      11.31689997       0.18080144      -0.60611044       0.07988791
K        9.38500004       4.16845998      11.21039997       0.27340208       0.69223881       0.52735012
K        8.36672006       9.02919003       1.12522995      -0.11155997       0.00806805       0.20547732
K        9.41441000       9.11094998      10.13390000       0.09494684      -1.48777140      -0.52406556
K        4.41250995       5.24852001       0.96953306      -0.28043152      -0.04597145      -0.04252195
K       11.99959997      12.52439993       0.12490196      -0.28136035      -0.49809175       0.62292535
K        8.18083000       5.07564998       8.35629001      -1.01181132      -0.31316657      -0.72172256
K        1.52460997       4.26296006      12.21420002       0.53745849      -0.89948555      -1.38952015
K       11.94740005       3.08962995       1.85215003      -0.01609532       0.49939058      -1.22827873
K       12.25709997       6.51239006       5.70628995       0.04603417       0.56171969       0.28878588
K       11.76200006      12.93579999       8.19562993       0.15788277      -0.02409199       0.54134925
K        3.28754006       6.00473001       8.81705000      -0.15081745      -0.04817775       0.14438445
K        2.08876000      10.20619997       6.40509996      -0.37309228       0.77330998       0.57544238
K        7.77134999       1.45830995       2.98738998      -0.06066207      -0.25795963       0.33158085
Li       7.71341004      11.47530000       8.88055000       0.70938054       0.49672180       1.08859895
Li       7.60072003       2.63525994       5.62594000       0.42815018      -2.21672227       1.96339382
Li       0.21526601      12.45710006       3.37770004      -0.47893442      -1.37933305      -0.61012655
60
Lattice="13.23443393 0.0 0.0 0.0 13.23443393 0.0 0.0 0.0 13.23443393" Properties=species:S:1:pos:R:3:forces:R:3 energy=-578.66461883 stress="-0.014406076658686444 -0.0004013221836172733 -0.0007053368619470496 -0.0004013221836172733 -0.007572400085292769 0.0009636316745335447 -0.0007053368619470496 0.0009636316745335447 -0.007492950405184193" free_energy=-578.66461883 pbc="T T T" config_type=melt 
Cl       3.47207002       8.60012995       2.26475005      -0.00969569      -0.16256209       0.05054098
Cl      13.14979999       0.44197901       0.54968004       0.49199437       0.52129424      -0.13432551
Cl       9.77321006      13.11254691       4.12647003       0.27356086       1.59394103      -0.34927630
Cl       7.59904997       7.78665999       0.49251999      -1.16371596      -0.15208375      -1.06618241
Cl       3.41926000       4.58511000       1.57802004       0.84411794      -0.26837514      -0.23223456
Cl       6.29509997       2.19674001      11.61770000      -1.57258072       1.84929885       0.03395589
Cl      12.74950005      12.32910005       7.81110001       0.06273786      -0.21946250      -0.16191855
Cl       5.05946996      11.09199996       7.08852996      -0.40808494      -0.05662398       0.09606126
Cl       8.77612000      11.32630000       7.83269993      -3.19466044      -1.93445546       0.68699724
Cl      11.39840000       9.44470997      10.00129997       0.00714672      -0.29919443      -0.17748366
Cl       2.91316995       4.79033994      10.76869994      -0.03030189       0.17256243       0.14956216
Cl       5.45816999       1.60359002       6.38759001       0.25295881       0.63509878      -0.01100282
Cl       0.72596204       2.01211000       9.60890006       1.31390085       0.94962198      -0.73798226
Cl       6.83948002       5.45433994       4.77661001      -0.63630712      -0.49635348      -0.23051535
Cl       1.44046001       7.50289996       6.05445998      -0.28548427      -0.52056522       0.47137923
Cl       1.90305998      10.93899998      11.66030005       0.03639502      -0.00147179      -0.01481280
Cl      11.73590003       5.52017000       8.57464996      -1.14425984       0.09730272       0.97751228
Cl      10.18089997       4.20897998       0.58899001      -0.65477418       0.97528518       0.26252814
Cl      11.92469995       7.80994994       0.77923804       0.57199200      -0.50716671       0.35101304
Cl       5.29193002      12.46720005      11.48900002       0.04086445      -0.27987433       0.41286641
Cl       6.02077994       7.47054997       9.65742994       0.96959153      -0.10920018      -1.94910601
Cl       9.50283004       7.06459006       5.52416005       0.77813176       0.08083327      -0.14783275
Cl       9.80301996      11.23170000       0.71523804      -0.84283532       0.05360182       0.75352516
Cl       2.29901995      12.80710001       3.73635002       0.01842600      -0.05208493       0.62745297
Cl       2.50612005       3.76379003       5.27216995       0.17713339      -0.05366913       0.68374151
Cl      11.30260004      10.33120000       4.08379997       2.34769924      -1.74317633       1.46974067
Cl       9.32971994       1.47445000       8.09738001      -2.89151064      -0.19512984      -1.50582893
Cl      11.84390003       3.01086006       4.13043996       0.29834845      -0.16604014       0.00718833
Cl       7.32218006      10.26409996       3.59491005      -0.17707986      -0.48357903      -0.78405644
Cl       9.96925993       1.06052006      11.87179994       1.27792006       0.06871346      -0.14738419
K       11.08189997       5.74682001       3.76356994       0.57227630      -0.07878775      -1.07157606
K        2.47377999      11.30629999       1.35506006      -0.27915968      -0.25879273      -0.70433639
K        9.84401997       7.52143994      12.09840005       0.55269301       0.09961955      -0.37243020
K        4.14781003       4.07685996       8.17451003       0.01305764      -0.00241776       0.10935813
K        8.00754997       7.52717006       7.60529001      -0.58688652       0.58126337       0.68221616
K       12.43860004      12.95649997       3.27816995       0.45441307      -0.06289818       0.35522361
K        4.85565994       6.93907006      11.77019998      -1.13199725      -0.79276294       2.32535669
K       10.16350000       1.68217000       1.63868007       0.25531950      -0.82650504       0.23884425
K       11.65759996      11.64960001      11.97520004       0.59243385       0.01817249      -0.33266485
K        6.49307996      10.73259998       0.74467103       0.44206844      -0.02902438       0.02333528
K        2.61011994       1.09098003       6.55586001      -0.41822254      -0.66846937       0.11113917
K       11.49860002       1.65676002       9.10329003       1.14775284      -0.06641158       0.98118608
K        6.77175002       0.19484806       8.52541006      -0.31808248      -0.23436282       0.53649075
K        2.28524000       1.23745994      11.53369999       1.04230774      -0.69758203       1.04508994
K        5.79226004      10.25110004       9.89088006       0.05490477       0.27888012      -0.46479087
K        6.56926993       4.12774001       1.60607995       0.10806424       0.07351650      -0.33882334
K        1.50319003       6.47055998       0.93867896      -0.64273847       0.88845112      -0.22970566
K       11.58929996       8.21282993       7.30143005       0.19057882       0.35622156      -0.20053787
K        4.00016999       5.87648993       4.13316996      -0.10745074       0.79000554       0.04899563
K        0.38154198       4.88591002       6.86849996       0.46362588      -0.57088729      -0.54682222
K        1.33861005       9.83613000       9.01750006      -0.40047421       0.20928885       0.13643507
K        2.43768003       9.81389006       5.09627003       0.54190145       0.97124766      -0.50142838
K       12.25839999       3.74773004      12.02270001       0.28106497      -0.20122338      -0.49591333
K        8.08835995       3.56190999       6.59368998       0.22817714      -0.17511218      -0.18710943
K        7.60611994      12.25870001       5.26584005      -1.46293091       0.46763173       1.46256115
K        2.34624994       2.32524994       2.88702003      -0.53535504      -0.38913731      -0.37085549
K        7.93219006       7.55788996       3.11185004       0.35795874       0.25916856       0.71765281
Li      10.47449993      12.00230006       7.56605997       3.34473329       1.38741195      -0.55788296
Li       7.96352006       1.22949995      11.70980001       0.55611061      -0.89098310      -0.04833112
Li       9.83361996      11.16819999       3.19831999      -2.06777284       0.26799355      -1.73479932
60
Lattice="13.23443393 0.0 0.0 0.0 13.23443393 0.0 0.0 0.0 13.23443393" Properties=species:S:1:pos:R:3:forces:R:3 energy=-579.59671946 stress="-0.004586945187310525 0.0023823435134723943 0.0024740001873331543 0.0023823435134723943 -0.0010163697615228615 0.002122554184008725 0.0024740001873331543 0.002122554184008725 -0.0017632828823762102" free_energy=-579.59671946 pbc="T T T" config_type=melt 
Cl       3.20404997       6.70004004       5.40096997      -0.44151748      -0.56295734       0.10581524
Cl       0.00826610       6.94853003      12.06159998       0.24705104       0.08080450      -0.79672859
Cl      12.43819996       5.78587998       7.85886997       0.26279972      -0.04503290       0.04338829
Cl      12.86309993       4.07184993       2.25119005      -0.14711483       0.10711309      -0.59426387
Cl      10.26470001       9.19063994       8.94961006       1.05243416      -0.30545778      -0.58947755
Cl       9.33740994       4.93146003       0.59734001      -1.30793333       1.23195739      -0.84293468
Cl       8.38664000       3.71706004       4.84321997      -0.27475517      -0.39232242      -0.05030691
Cl      13.15679995      12.12559999      12.76979995      -0.08227661       0.01812677      -0.33379819
Cl       6.79257996      11.97559998       3.56369002       0.06979658      -0.21891867       0.47703617
Cl       0.69817502       2.30315995      10.31879999       0.44936676       0.53226949      -0.27696972
Cl      12.76809099       9.76506003       4.17195003       1.81670325      -1.57546290       0.04466215
Cl       2.08811999       7.29062003       1.21639006      -0.47900464       1.45197425      -0.07442469
Cl       0.52214103       2.19813995       5.39821006       0.31805452       0.01398647       0.01804170
Cl       5.19688005       4.60493002      10.79509999       0.01834444      -0.76513164      -0.53594318
Cl       3.09130000      11.63440000       9.33146001      -0.84313782      -0.10210773      -0.21068145
Cl       3.52959005       7.20357994      11.55359994       0.77955910       1.72946968      -0.63301395
Cl      10.04240003       7.13637006       4.25431996       0.07813080      -0.62304482      -0.20021018
Cl       6.53398998       1.19627994      13.12649997       0.05087973      -0.00892767      -0.34697095
Cl      10.87180002       0.83602303       1.99166995       0.71737530       0.13494224      -1.18325192
Cl      10.70149999      12.50419995       6.61217994      -0.15245984      -0.07268201       0.27157151
Cl       5.29209995       7.05194999       2.12455994       0.05593167      -0.51099211       0.66957871
Cl       7.78835995      10.29180003      10.19800005       0.80693144       0.07423541      -0.36658918
Cl       3.00519003       2.73818003       0.70901203       0.47626206      -0.32544082       0.47649284
Cl       2.25576003      11.91470002       2.82568002       0.24073763       0.03749424       0.44934296
Cl       4.94670994       0.21407597       7.00434996       0.18294749       0.22202432       0.25278425
Cl       9.41962000       9.19054002       0.19768195      -0.41368997       0.30586871       0.09686645
Cl       5.53567004       9.83033993       0.39646605       0.34526891       0.89526623      -0.05896906
Cl       5.52625004       8.52268998       7.04780999       0.20008011      -0.47047535      -0.15783051
Cl       8.98731999       0.17696000       9.35433996      -0.00791099       0.88702702       0.67006036
Cl       8.81178997       4.04366999       9.61758000       0.83445794       0.94858232       0.26529180
K       11.77690005       2.32363997       7.62020998      -0.24279267      -0.00246883       0.18196088
K        7.12590996       6.25928005       5.43413996      -0.09469448      -0.17191437       0.44792066
K        2.14275993       5.08178997       8.75627999      -0.13429061       0.22461204      -0.16698646
K        7.11098006       7.23552998      10.57719993      -0.15251612       0.04473313      -0.22885377
K       10.84489998       6.42495002      10.68790002      -0.44833522      -0.22934219      -0.78512412
K        7.90436003       7.94795994       2.85000001      -0.07811541       0.91058873      -1.23754482
K        6.26911006       5.04492995       0.37663095       0.11912441      -0.82330323      -0.34815785
K       11.52820002       8.28965000       6.15908996       0.02017555       0.08759568       1.50674185
K        4.34445995       9.09101999       4.15179002      -0.23581345       0.21223012      -0.10639229
K        0.73287094       1.04300997       1.58958998      -0.14518712       0.09489131       0.24014960
K        9.02532002       0.79310402       3.87466997      -1.09576124       0.51203508       1.02275587
K        8.67772000      12.20590005      12.51880005      -0.12437176      -0.25646286      -0.01124554
K       11.65640000       1.20829998      11.68009996      -0.28642921      -0.13452916      -0.03255184
K        4.84874998      12.66240001       1.46474996      -0.10463579      -0.14438076      -0.20263185
K        5.31980994      10.59960001      10.72890003      -1.76683566      -0.01856936       0.51573406
K        4.46447999       1.68593996       4.67828002      -0.12731100      -0.03525339      -0.23901841
K        3.85202003       1.78472006      10.70999994      -0.23970811      -0.42112171       0.38104448
K        0.66637095       9.43532000      10.19970001       0.08493064       0.07724545       0.37290071
K        6.82292996       2.34651000       8.98428004      -0.12469828      -0.47688953      -0.15779531
K        6.70869006      10.96679996       6.79880002       0.20146088       0.85181124       0.02289738
K        2.48575994       4.85222998      12.19600003      -0.96915662      -0.21564319       0.27361980
K        1.46210995      11.40630003       6.42065995       0.18153773       0.39184317      -0.05408119
K       11.28469993      11.74029995       4.03198001      -1.18792332       1.74528176      -0.86093322
K        2.55223001       5.33286002       2.83542996       0.26539457      -1.13459411       0.63585408
K       11.29780004       7.29622005       0.76072506       0.18580276      -0.50413045       1.03311885
K        0.49612994       9.98234005       1.34480999       0.26605126      -0.27911308      -0.00928946
K       12.84690006       5.14730994       4.91599004      -0.16794779      -0.09623002       0.20913034
Li       9.25598998      11.46739997       8.57120001       0.68874835      -0.82503307       0.23425914
Li       4.07683998       8.30774001       0.55944401      -0.59301094      -0.78712065      -0.40572875
Li      10.79090004       3.81559000       1.27964999       1.45299668      -1.28895572       1.17967932
60
Lattice="12.99310009 0.0 0.0 0.0 12.99310009 0.0 0.0 0.0 12.99310009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-556.76852563 stress="-0.013366833588737886 0.0029151463761017075 0.002471382854171779 0.0029151463761017075 -0.013588436822358108 -0.0008402484985255878 0.002471382854171779 -0.0008402484985255878 -0.0025637150902557975" free_energy=-556.76852563 pbc="T T T" config_type=melt 
Cl       0.77520499       4.28439004       6.22986004       0.49481720      -0.20313508       0.13632680
Cl       5.74214999       0.89120102       9.15097998      -1.21644787       1.18431616      -0.33129982
Cl       9.42812995       5.95842002       7.41072001      -0.13238588       0.41180300       0.36571080
Cl       0.30550403       2.84355996      11.36220006       0.43398283       0.57032771      -0.02304106
Cl       9.26817995       2.99584001       7.65824000      -0.19959713      -1.90482620       1.41242642
Cl       6.09228000      10.59629995       9.79049997       0.06882910       1.09953047       0.05877454
Cl      10.58519994       0.96205500      12.14000003      -2.47236686       0.59771425       0.41318696
Cl       5.39713005       5.69132995       9.53060003      -0.87573639       0.34267873      -0.03389272
Cl       5.75568997       4.91407998       5.05350997       0.15554697      -0.01713873      -0.08131242
Cl       0.77231702      10.85340001       3.55086003       0.63964206       4.23803014       0.03068268
Cl       7.76623994       9.01041997       3.27337003      -2.14377157       1.78521131       0.97218306
Cl       8.05247001       1.02059996       4.57991005       0.01931232      -0.18631360      -0.18267254
Cl       3.17488999       9.78565004       9.64635998      -2.25743296      -1.50530688       0.94770959
Cl       0.92378603      11.96909997       7.03579995      -1.37610490       0.40966345       1.01665028
Cl       1.32249996       7.96607005       5.34980995       0.38891209      -0.01910251      -0.73022769
Cl      11.25840000       3.19151999       3.63212004       0.32519258      -0.13921213      -0.59689182
Cl       3.85510997      12.44339997       5.84639000       0.92551836       1.23134781      -0.19330711
Cl       3.36767005      10.73650004      12.68789996       0.80908657       1.33734671       0.80506251
Cl      11.28109999       8.71149005       7.64050000      -0.75539245      -0.23763732      -0.31288447
Cl       0.42941000      12.52170002      11.04450005       3.08358107      -4.43962635      -2.32379108
Cl       6.96902997       2.27917997      12.88240005      -0.45525734       0.60002630      -0.74717459
Cl       5.02709994       9.37845005       6.37854996       0.38116730      -0.53556690      -0.20114236
Cl       8.41288003       7.96910005      12.64140000       0.18139776      -0.69721526      -0.19976185
Cl       3.50345002       6.81488996       1.18392998       0.61271313       0.38557128      -0.17039106
Cl       8.95224999      11.39010001      12.78909997      -0.49176309      -0.65742704      -0.05210579
Cl       9.87910005      11.80499997       8.46094995      -0.72972885      -1.18270762       0.51600208
Cl       0.42185595       8.19949006       0.90589297      -0.28917634       0.57542599       0.17723038
Cl       2.83275997       2.58120004       2.14419999       0.53141526       0.74475590      -0.50522274
Cl       1.82583005       6.47871000      10.48989997      -0.12892026       0.06259063       0.06389015
Cl      10.19320006       6.98853001       2.66047003       2.93078497      -2.47968241       1.25220254
K       11.56310002       3.88420996       8.96431006       0.76169291       0.32640741       0.11269076
K        3.25943999       6.73770003       7.79809006      -0.49167449       0.25643979      -0.15287245
K        8.35995004       9.29480996       9.60094000       1.64886994      -0.89282546      -0.41570439
K       12.84990002       5.28574994       1.55762999      -0.04399766      -0.31834682      -0.11954751
K       11.09960002       8.71391002      11.77699997       0.09411156      -0.01769562       0.45741567
K        9.18641996       1.76881997       1.43307995       0.47300770      -0.30000758       1.01594506
K        8.15216997       7.74626006       5.66992005      -0.35132184       0.00668782       0.35992951
K        7.51021000       4.20557000       9.91971999       1.33828985      -0.77620919      -0.16319467
K        6.64566003       4.47035002       1.65365004      -0.40554975       0.47916754       0.56363573
K        3.95917002       9.22990994       3.16609003       0.15305958       0.08322844       0.23367423
K        5.89254006       9.18396998      12.19279996      -0.26637927      -0.28697288       0.62126053
K        7.95259998      12.74570003      10.10520000       1.59116912       0.51346588       1.14822250
K        5.42556999       0.14013396      11.97769997      -0.57189726      -0.72775969       0.55058287
K       11.41780000      11.63669996       1.55550003      -0.08657221      -0.02725222      -0.29401639
K        1.30490003       1.12152997       3.80513006      -0.46720359      -0.06631832       0.56102485
K        3.07018003      12.33350004       8.98292995      -0.50030386       0.95837864      -0.05517164
K       11.62830005       6.55860002       5.43074995       0.32929467      -0.19327996       0.34442158
K        3.58560994       3.70164002      11.14299996      -0.75317252       0.55985320       0.29955750
K        0.03631584       9.55605001       9.45596000       1.20499531       0.65456870       0.03278547
K        4.16361995       2.60517997       7.25171006       0.06952018       0.23342118      -0.66622356
K        8.89062995       3.83147006       5.20470002      -0.48604361       0.25717744      -0.74788402
K       11.21710000       0.31438599       6.83166003       0.35684600       0.94419523      -0.84935970
K        6.56193003      12.06089999       6.84134002       0.56921352       0.11278790      -0.58817486
K        3.22486003       5.30337002       3.66876994      -0.46147670      -0.26376806       0.32798412
Li       0.50855098       9.04678999       3.41235995      -0.46347224      -4.04490537      -0.28258740
Li      12.43410002       0.75974801      11.82090002      -0.13853093       3.74102251       1.30152069
Li       8.85543996       8.08550003       2.02392000      -1.11643126       0.92537238      -2.90864489
Li       2.08483997      11.48990002       5.47356001      -0.26254948      -1.16344340      -0.76041091
Li       2.79590998       8.80212005      12.69060006      -1.14994261      -1.80765397      -0.03579147
Li       4.72497996       9.65567005       8.50408003       0.96863125      -0.53717732      -1.37398690
60
Lattice="12.99310009 0.0 0.0 0.0 12.99310009 0.0 0.0 0.0 12.99310009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-560.11539464 stress="-0.0039906389950987355 0.0005363890402862631 0.0006572590289541191 0.0005363890402862631 -0.01002966286075019 -0.00011505802020001615 0.0006572590289541191 -0.00011505802020001615 -0.008047242527832048" free_energy=-560.11539464 pbc="T T T" config_type=melt 
Cl      12.43550003       5.34625998       0.75043404       0.46157892       0.77643027       0.33487630
Cl       8.16791994       7.83439005      10.94369997       0.68343522       0.63842655       0.36368964
Cl      10.79110004      10.48230005      10.12429999      -0.58272805      -0.04708122       0.45817477
Cl       8.13835999       1.77711996       7.40643995      -0.44273350       0.07767764      -0.41840190
Cl       4.91946003       6.26283003       9.70845998       0.67917885      -0.99925841       0.11266979
Cl       6.25593004      11.35660003       8.03419002       0.06692803       0.37833908       0.28520948
Cl      11.49029994       9.90407006       2.70478001       1.00999391      -1.26316797      -0.32850621
Cl       4.10487997       8.44944001       0.66017604      -0.32446162       1.18838963      -1.82416286
Cl       9.97587006       1.58752997       4.81648997      -0.50285404      -0.79230425       0.54990956
Cl       9.21000997       3.57967002      10.06900006      -0.62304730       0.24543854       0.77386377
Cl      11.73080002       1.90610000       0.98542595      -0.45670559      -0.35035587       0.28069905
Cl       0.21293794       2.82483002       4.99077006       0.61507129       0.36723188      -0.13070774
Cl       6.63429003       0.39939997       3.99846999      -2.15201683      -0.58008110      -1.77149831
Cl      11.56459995       6.83922006       7.59196999       0.33907509       0.10190634      -0.01596421
Cl       1.53516999       7.38921994       3.70452994       0.28550538      -0.11247601       1.25318216
Cl       2.76194004       1.40182999       1.63437997      -0.52991688       0.35835869       0.97242552
Cl       7.11872997       7.57441995       6.63334998      -0.06954444      -0.40869235      -0.31502076
Cl       9.47327006       4.48803999       4.05294005       1.06590534       1.15202222      -0.64332845
Cl       8.15862000      11.03319995       1.15562997      -0.04262675      -0.31840496       0.29410971
Cl      10.13880003      10.32400004       5.95662996       0.42273002       0.90407872       0.11295116
Cl       4.30389996       4.66653998       5.53721996      -0.93763345       0.06310422      -0.17594376
Cl       6.50063001       5.10579005       1.47188995      -0.23159461       0.20314876      -0.23682897
Cl       4.19551996      12.72576706      11.41549997       1.93770571      -0.87572457      -0.56563582
Cl       4.33556999       9.19018003       4.51734996       0.43843741       2.19156790      -0.58119382
Cl       3.27763995       8.82081998       9.58268001      -0.77984310       0.42719333      -0.26984227
Cl       1.42474994      11.74300002       6.80391001       0.15726475       0.02241998       0.19690299
Cl       0.57742298       8.39219995      12.28720003       0.58314139       0.41338757       0.65361129
Cl       1.21065003      12.41270000      11.67570005      -0.43753620       0.20929449      -0.29661591
Cl      12.50750000       4.46683006       9.79677005       1.01525818      -1.04284692      -1.79033870
Cl       3.41976004       3.32953998      10.75640002      -0.27084237      -0.80730580      -0.16342649
K        3.92463994       7.69963004       6.56155998      -0.14919668      -0.94371742       1.51438173
K        0.36806594       9.74414995       9.41347997       0.52838511       0.39629928      -0.42482280
K        2.32977004       4.56841999       8.21702996      -0.15280522       0.13948257      -0.09939258
K        9.40585003       8.64607005       8.19875998       0.04461384       0.21039945       0.50817613
K       12.01119995       6.76994995      10.58490006      -1.09176301       1.47080502       0.71284790
K        7.43186004      10.28190006       5.62335005      -0.86409039       0.41264549      -0.41708147
K        2.32819995       4.78885001       2.86296997      -0.67291392      -1.04965976       0.07453911
K        7.11060006       4.70046003       5.24102003      -0.24667711      -0.11292926       0.39503447
K        8.94395000       3.27117003       0.18221095       0.37171208       0.01905028       0.23373666
K       10.86530000      12.33620000       3.60205999      -0.15589750       0.60715260       0.03508228
K        1.43140995      10.28270004       4.29788000      -0.17474257       0.25503241       0.16067092
K        9.83518000       7.98917997       1.38178995      -0.38686782      -0.31231503      -0.48093932
K        3.52018994       1.79043997       4.13150998       0.30500927       0.06329987       1.43650561
K        2.44120003       0.72765297       9.17878001      -0.01705523      -0.63962797      -0.15109190
K       10.81770003       7.89921003       5.03881997       0.29309844      -1.04795237      -0.55095415
K       12.04110006      11.06759997      12.93078063      -0.35295247       0.18768638      -0.18009177
K        7.17392999      10.78979995      11.46250004       0.20036842       0.33977563      -0.19785869
K        5.14081997      11.33770001       2.55278998       0.26139967       0.00128761      -0.52756978
K        6.08687994       8.78802006       9.10994997       0.00369381      -0.06667190      -0.15326706
K        6.42369994       2.06148994       9.55837005      -0.05238739       0.02442609       0.32270796
K        0.04275185       2.41667998      11.25870001      -0.00345143      -1.26066481       1.47420612
K       10.52020001       3.80150005       7.29784999       0.08376106      -0.22475311      -0.10211341
K        3.13043995       5.89752006      12.00470002      -0.22300544       0.39191612       0.08656611
K        4.48568006       7.17875004       2.82853007       0.94259743      -1.76332849       0.69361210
Li       0.75885396       7.60211994       1.86326006      -1.17080094       0.01737011      -2.12337808
Li       3.41968000       9.60524994      11.58590006      -0.43653318       0.26730470       0.61758226
Li      11.16290007       2.90302003       3.68978004       0.62941180       0.47998078      -0.51161887
Li       7.88790006       0.74041895       5.38694995       2.04883885       0.95086724       2.15841264
Li       6.90759001       6.20665995      11.12290003      -0.70882329      -0.92288120      -0.15310039
Li       3.26645003       0.96211606      12.79120005      -0.23005096      -0.01099669      -1.46564072
60
Lattice="12.99310009 0.0 0.0 0.0 12.99310009 0.0 0.0 0.0 12.99310009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-558.80562125 stress="-0.003651590832151032 -0.0021213007454215374 -0.0003974757412712835 -0.0021213007454215374 -0.004124773975730704 0.0011623686588748906 -0.0003974757412712835 0.0011623686588748906 -0.012193757614716033" free_energy=-558.80562125 pbc="T T T" config_type=melt 
Cl       7.85398001       1.97751995       1.14739001       0.05918249      -0.87327705       0.60171519
Cl       4.25035994       7.62550999       1.53256994      -1.69066507      -2.10002058       0.59887042
Cl       4.02524006      11.32670005       3.00525000       0.25416370      -0.34928178      -0.62235554
Cl       8.95633996       5.22371997      11.87030005      -1.61029480       0.34277523      -0.62927163
Cl       0.46980997       3.73789999       7.59603995       0.71903514       0.04153948      -0.32374774
Cl       0.28254601       6.84219002      11.95389999       0.33699754      -0.51516344       0.98468432
Cl       4.29726997       3.80984006       2.06309004       0.01718464       0.42223012       0.32099740
Cl       0.09139970      10.66789998       5.90366995      -1.40885768       0.62370781       3.64622689
Cl       3.57650997       0.82721494       8.71013007      -0.24362920      -0.37492446       0.23101340
Cl       2.41047005       1.32365999      12.35850006       2.11901872       0.06891655       1.55354579
Cl       7.92534994       1.50682996      10.91800001      -1.37035033      -1.45114798      -0.22462258
Cl       7.42380003      10.63450005      12.47669998       1.51430550       0.97386681      -1.40793552
Cl       3.95032003       5.87482995       5.85224001      -0.24924955       0.96871678      -1.76378662
Cl      10.80710000       1.94033006       9.58708000      -0.17807810       0.07912507      -0.46428928
Cl      11.37109994      10.54089997      10.57270006       0.93975470      -0.63456178       0.10573367
Cl       1.48010003       1.25753005       4.09632999       0.82151998       0.11041050       0.01641130
Cl       9.04349001       5.26034999       7.04208003      -0.05991680       0.35859230       0.03279896
Cl      12.56099999       5.87562006       2.71115001       0.52648744       0.33817992      -0.62337821
Cl       3.00175005       9.42476006      10.94440004      -0.17957220       0.06557187      -0.18404911
Cl      10.77550000      10.98240005       3.39149004      -0.40596967      -0.14687151      -0.48947917
Cl       0.11696506       7.92133000       9.05183002      -1.19742842      -1.19125123      -3.86704204
Cl       6.04586995       4.87313001       9.51053998      -0.39324878      -0.40830004       0.39803551
Cl      10.69130004       2.73106999       4.01762000      -0.08796975       0.09279242      -0.15286754
Cl       5.48243001       1.35153006       5.80322003       1.19188061       1.07046543      -0.21174648
Cl       7.75707006       8.35781995       9.18949997       0.69819979       3.50795715      -0.51873506
Cl       3.86175996       9.51833000       6.42951994       0.17466271      -0.38849912       0.40005101
Cl       8.32906999       7.79375998       3.04346998      -0.43663305      -0.35985075      -0.02867722
Cl      11.60509996       2.15873004      12.75319913      -0.25835095       0.12310461       0.86908686
Cl       9.51344004      12.79459995       6.86175997       0.40570978      -0.92473001       1.55855939
Cl       0.25606100      10.14150000       0.63316702       0.38001626      -0.24964738       0.35966186
K        5.65666995       9.69423007       1.04721996      -0.25086404       0.64397970       0.83355907
K        0.43052403       1.57661005      10.86019994      -1.36266797       0.14240086      -2.64678863
K        2.35639004       4.31258000      12.92408724      -0.47225395       0.49108027      -0.22688466
K        1.45563000      11.37270004       8.71873994       0.15830104      -0.32487238      -0.10179786
K       10.97469995       4.81484998       0.41432099       1.61387363      -0.11586862       1.02265799
K        0.32031903       0.83818203       1.60867001      -0.30337752      -0.59126417      -0.04518637
K        9.45583007      12.18240003       9.80153995      -0.83428359       0.83916688      -0.50831523
K        6.89181002       8.99591005       5.79425999      -0.20113305      -0.30920920       0.06592097
K        7.92691002       4.44621001       2.23922996       0.11790877       0.77928920       0.62914607
K       12.25569995       0.86736102       5.82662996      -0.33111621      -0.02046864       0.52616208
K        2.70210006       6.90305997       8.62009997       0.38004340       0.25966567      -0.14572932
K        4.21408996       3.86172995       7.47998999      -0.07643166      -1.90403810       0.73080454
K       12.24560003       5.09251006       5.31062004      -1.35218751      -0.12839494       1.23170123
K        5.78444994       2.70875005      12.45180000      -0.24924323       0.37048927      -0.73192732
K        5.36118996      11.85330000      10.25449995      -0.08787229      -0.18375636       0.02132653
K        1.27058006      10.49690000       3.84776003       1.41550296      -0.43702569      -3.32446838
K       10.97020005       9.30048001       7.36801000      -0.07246032       0.00169771       0.12152143
K        1.86386995       4.28046002       4.21711995       0.15161558      -0.59421613       0.14512616
K        9.90897002       7.87891000      11.25809999       0.35890011       0.54451828      -0.18101171
K        3.91744995      12.19350003       5.62292999      -0.73733365       0.20713672       0.56663718
K        9.98150998      12.71880003       0.14019997      -0.36557320      -0.22190221       0.20611240
K        7.98404003       2.51223006       7.33449001       0.19984780       0.12427125       0.39668821
K        8.63618997       0.61808502       4.62818994      -0.70121624       0.33145043      -2.12546820
K        4.17069002       0.78688397       1.63846994       0.18934290       0.01165315       0.56969569
Li       7.42608006       6.53581000       9.33116998      -0.24595882      -3.28844483      -0.18237081
Li       1.79414001       8.16323996       0.58363304      -0.31549500       0.48049367      -0.42685292
Li       8.79142997       3.32492002      10.71609997       1.16432208       0.63010762      -0.50056735
Li       4.17733001       5.95894000       3.28349997       0.40860834       0.39302082      -0.02560467
Li       0.51844106       8.76994003      10.63910000       0.78098390       1.69702255       3.47095551
Li      10.16300007       8.53582997       2.23949996       0.63231310       0.95159225       0.46955013
60
Lattice="12.99310009 0.0 0.0 0.0 12.99310009 0.0 0.0 0.0 12.99310009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-558.47192637 stress="-0.0066757179958470666 1.872814121143366e-05 0.002508535562073782 1.872814121143366e-05 -0.008829653807416236 -0.0003825335809069372 0.002508535562073782 -0.0003825335809069372 -0.005977580727159741" free_energy=-558.47192637 pbc="T T T" config_type=melt 
Cl       2.81263002       5.15843004       6.75308997       2.19072577      -0.43094757      -1.27275033
Cl       8.66665996       8.35507996       1.55162003      -0.08579672      -1.02017395      -0.12163955
Cl       4.90982006       3.33977997       4.86535000       0.57236457       1.36501971       0.82248569
Cl       1.82013999      11.12549995       9.35378005      -1.75172390       0.86966214       0.95150628
Cl       5.72105998      12.32279996       4.19156006      -3.05570318      -2.67311558      -0.92862041
Cl       3.79003000       7.77803001       0.86588696      -0.21290077      -0.37760541       0.13786969
Cl       0.13727301       8.37234000       5.33947005      -0.20730857      -1.16470155      -0.73748488
Cl       7.38966001       1.57709002       6.22260001       0.49798459      -0.15940322       0.23823040
Cl       3.43506994       4.05822006       1.01753995      -0.55031206       0.58417048       0.70399684
Cl      12.77820006       6.91360998      10.66890006      -0.24964323      -0.37967315      -0.15308428
Cl       3.35075004       7.64614004       9.48354006       2.24134044      -0.23594826      -1.04080957
Cl       0.48309204       9.79955006       1.21289004      -0.48366342      -0.48399476      -0.27118007
Cl       2.65206999      10.90399994       5.83202002       0.59845548      -0.49022017       0.48357342
Cl      10.14320001       2.10900999      10.14089997      -0.01098428      -1.65455905       0.98417103
Cl       8.23453999       1.09215997       2.40890997       0.05077632       0.79450917      -1.02312476
Cl       6.06186003      10.17290003       8.14991995      -1.26548031      -0.63407908       1.25072683
Cl       3.67306000      11.25809999       0.23901496       2.04958919       2.69289064      -0.67613199
Cl      10.86710006      11.99959997       8.24836997      -0.98716686      -0.74001053       0.10967649
Cl       8.87887003      10.33799998      11.47899997       0.00090222       0.01009337       1.00784609
Cl       7.62040006       6.42129999      10.83109995      -0.59100281      -0.08625990      -0.04318786
Cl       7.17093001       7.24518999       5.82799995       0.53659409      -0.18052618      -0.10466726
Cl       5.06233995       0.40469102      10.09920005       0.17135682      -0.39078582      -0.13437389
Cl       9.73563999      11.90880003       4.03782998       0.57345712      -0.46194939       0.75845715
Cl       0.69374397       0.55981603       5.23987001      -0.20479062       0.56267189       0.25377541
Cl       9.50319005       4.36041994       8.03719000       0.33297996       0.73864585      -0.78239120
Cl       9.67008005       4.83743004       0.33758400       0.33712524      -0.13365089      -0.04879469
Cl       1.53892006       3.46293000       9.92210994      -0.26459054      -0.00490009       0.26495554
Cl       5.82270994       2.60720001      12.33150001       0.71627345       1.68055121      -0.17131854
Cl      12.27170005       5.02286003       3.27130997      -1.36668376       1.22040546      -0.75941518
Cl       1.02644997       2.07287995       2.11681001      -0.10523601      -0.68503402      -1.58211443
K        9.80380997       2.95901002       4.96694007      -0.57437343      -0.39860925       0.24364032
K        8.59780004      11.02610000       1.66374997       0.06558107       1.09922427       0.08757691
K        4.29217005       0.66091898       6.21930003      -0.16667207      -0.11765904       0.86778285
K       11.37839999       8.15932995      12.80420003      -0.69455623       0.40538238       0.26306151
K        8.05255005      10.81330005       6.66627995       1.19529959       0.73956928      -1.59073945
K        2.65694994       1.05010001      11.72769999       0.10127662      -0.05225931      -0.25571868
K        6.26114002       9.09944999       0.04117474      -0.18173859      -0.00080630      -0.58796837
K        3.93288004       1.90167000       3.04652999      -0.54539649      -1.28722668      -1.51448831
K        0.77460705       3.29834004       4.39653998       1.46399797      -0.66071904       2.00040861
K        0.78319302      11.10219994       3.74757998      -0.23462545       0.01950981       0.03970800
K        0.23693503       4.91957996       0.32097895       0.17243687      -0.44684947      -0.25605184
K        5.96478001       0.11395494       0.24461603       0.24022524      -0.45826035       0.11074113
K       12.63620003       1.06847005       7.87745997       0.31888191       0.38916260       0.58159866
K        6.54037005       4.76266995       8.10155002       0.03398778      -0.20808247      -0.51253636
K        8.28533001      12.60089999       9.89389997      -0.34477200       0.76856790      -0.51363400
K        6.14035005       5.43717998       1.93083002      -0.13221425      -0.27184842       0.10265259
K        0.56857403       5.57615002       7.56624001      -2.53007711       0.66165868       1.32538116
K       10.04320005       7.08267996       3.64684006       0.09635127       0.07779359       0.61686576
K       12.92939999      10.25429998       7.29068001       0.33168750       0.51797996       0.23663103
K       11.33520001       1.54024002       1.28709000      -0.67979275      -0.11448815      -0.05016856
K        4.38927996       7.61259004       6.57395995      -0.02359776       0.65311604      -0.05260875
K        1.84153001       6.56777003       3.24768994       0.34607615       0.42237939       0.17010215
K        4.01649999       4.86187006      11.43549998       0.00684407       0.17839315      -0.70367121
K        8.93912995       8.52176000       9.39369005      -0.15154762      -0.23652209      -0.68533322
Li       1.69199995       7.87632996      10.37289996      -1.88990494       0.71787464       1.10152525
Li       7.20161997       0.39276595       4.23332001       3.32426820       2.26032409       0.51080248
Li       8.02400005       4.46975000      11.71039994       0.05473454      -0.63879760       0.48882937
Li       3.44288996      10.12640006       8.93475998       2.09027534      -0.69008536      -0.64505618
Li      10.52319999       4.04050007       9.93105998       0.31414024       1.15422854      -0.13679084
Li       2.58309002       9.81068995       0.63492499      -1.48373387      -2.61403217       0.64127604
60
Lattice="12.99310009 0.0 0.0 0.0 12.99310009 0.0 0.0 0.0 12.99310009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-559.18816557 stress="-0.00720598159411115 -0.0010529352245557371 0.0004402519989636339 -0.0010529352245557371 -0.0059908442586107166 -0.0008082167428915713 0.0004402519989636339 -0.0008082167428915713 -0.014729386475641176" free_energy=-559.18816557 pbc="T T T" config_type=melt 
Cl       9.41860003       8.97288004       0.37034402      -0.22320880       0.16387054      -0.12520036
Cl       0.88172100       4.98673999       7.58109996      -0.11497895       0.19370869       0.03317863
Cl      10.87700002       1.04659005       6.43269000       0.14654399      -0.15802203       1.79393125
Cl       7.24156999       4.37904997       5.97635998      -0.25637353      -1.97972720       0.64514519
Cl      11.36070001      11.65960004       3.00407997       0.06769222      -0.28479933      -0.12811469
Cl       6.82702006       6.93509004       2.85742997      -0.30762607       0.47333322       0.07204466
Cl       2.44846006       6.68753004       1.37205994      -0.48400532       0.28044716       0.28576871
Cl       4.86221997       0.29175902      11.86259995       0.25835648      -0.16544207      -0.12957015
Cl       7.55749994       0.60313295       4.29340998       4.99137984       1.53427455       0.33274031
Cl       6.35364998      11.22050004       7.72145000      -1.73616202       0.79593311      -0.69198689
Cl       4.73271995       4.01388006      11.73819998      -0.18607044       0.32792228      -0.23974989
Cl       9.77483003       6.34245006       9.63298995      -0.77645456       1.07537843      -0.91172373
Cl       3.22324005       7.99784000       9.05894998      -0.70331575       0.77719866       0.36021233
Cl       4.45798007      12.10730004       3.86372998      -1.05884231      -0.69767201       0.38163215
Cl       6.29873997       8.66009000      10.19790005      -0.44839907      -0.86902263       0.37743047
Cl       5.19289995       7.87445999       6.59989002       0.08687718      -0.08307112       0.19365639
Cl       0.01487281       4.55458000      11.50600003      -0.25307453      -0.35392854       0.00258938
Cl       0.93625005      12.09930006       0.28714296       0.03458189      -1.37953818      -1.11132658
Cl       1.13260996       2.45927006       4.54349000       0.28575682      -0.39650440       0.15677306
Cl       2.15660995       0.00061301       9.46445995      -0.54975215      -0.29007229       0.71526404
Cl       8.52624002      12.89480001      10.58529999       0.64577902      -0.29348918      -0.22007612
Cl       5.24845000       2.07905999       8.35704998      -0.66697485       1.50722276       2.68370248
Cl      10.76569996       6.57707998       3.54721000       0.47525586       0.08861864      -0.17451551
Cl       9.51552998       9.37871004       6.20350003       0.11172917       0.09850032       0.92891207
Cl       8.47814996       5.69357997      12.77170000      -0.12175288      -1.42013636      -0.69724632
Cl      11.77419996       9.17446007      10.86350006      -0.43755560       0.39193536      -1.09969497
Cl       5.42630995       9.69089006       0.37523203       0.03089001       0.51931810       0.02777270
Cl      12.66429995       1.92994000       1.45717994       0.15466273       0.75259556      -0.38906670
Cl       1.15960001      10.29400001       5.35162002       0.42581673      -0.08890783       0.46245209
Cl       4.92470002       2.94900001       4.23063005      -0.91180989      -0.55085367      -1.53083939
K        2.30768995       5.51405002      10.08310004      -0.07045805      -0.47185383       0.16744701
K        0.55155502       1.27428998      11.87759996       0.00741039       1.19970902      -0.83714213
K        7.02226997       2.30871004      10.98120001      -0.28877271       0.10605164       0.04803684
K        7.83386006       6.81692000       6.02449006       1.00185029       2.11260643      -0.44725027
K       11.80389998      12.05790001       9.32211002      -0.21948486       0.01342210       0.07145439
K       10.48370005       4.03553995       8.82988994       1.06548751      -1.46244199      -0.78643934
K        1.92398006       0.25613103       6.81287006      -0.29556759       0.23381940      -1.49467987
K        8.22944994      10.13860007       9.15805004       2.01056750      -0.33318111       0.16774029
K        0.60318297       8.19088005       3.41511007      -0.70966950      -0.36602701      -0.02341220
K       12.48240005       5.04445001       1.40339994      -0.18311172      -0.10678133      -0.00714564
K        6.15801001       5.77327003       8.96374005      -0.06734920       0.15870310      -0.07080908
K        6.97298000       4.07537004       2.94780997       1.00129163       0.32490917      -0.30160650
K        9.64598006       9.40743999       3.41705007      -0.11602343      -0.41072288      -0.49666209
K        1.11681997       9.21424000      12.21579996       0.81657819       0.07332981       0.43556224
K        2.69983003       2.45554000       1.97961002       0.01576270       0.03861447      -0.01059488
K        8.67329995      12.20660007       6.20510000       0.72101190      -0.76469129       0.76655233
K        5.00430004       6.86122998      12.81250003       0.20918744      -0.02730932       0.04407534
K        4.12981996       8.81220997       4.24838005       0.26077720       0.27329063      -0.70230277
K        5.75315996       1.27696006       6.13750002       0.39436506      -1.29452462      -1.21387654
K        8.30467999      11.97230004       0.36192800       0.07652870      -0.51285534       0.19720167
K       11.39210004       1.38718001       3.82961997      -0.13002440       0.31000202      -0.24671215
K        0.28100801       8.65001996       8.08391994      -0.06562804      -0.55334779      -0.14764833
K        1.68150997      11.76860006       2.72807001      -0.03517817       0.20225117       1.34620152
K        3.10984004       4.11849998       5.81065001      -0.54534114       0.77156310       0.76089299
Li       4.37275001       9.83028004       7.94727995       0.65842718      -0.72147715       0.04409625
Li       3.96976004       1.26870996       9.88815001       0.07956652      -0.31836351       0.76669266
Li       6.07632006       0.23247294       3.43104000      -3.80257314      -0.49290759      -2.83010344
Li       9.56443004       7.25874998      11.45519999       0.09948067       0.68772704       1.16370677
Li       5.64646998      10.54990003      11.15810003      -0.39458642       0.25677394       0.70757281
Li       8.02573996       7.26707999       0.97000405       0.02651028       1.10464119       0.92505752
60
Lattice="12.99310009 0.0 0.0 0.0 12.99310009 0.0 0.0 0.0 12.99310009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-558.14644244 stress="-0.018919564476520916 -5.686751311756503e-05 -0.0030424986525929964 -5.686751311756503e-05 -0.007266436402115799 -0.0014464960790919563 -0.0030424986525929964 -0.0014464960790919563 -0.00989986738296063" free_energy=-558.14644244 pbc="T T T" config_type=melt 
Cl       2.95684005      12.06660006       5.72428994      -3.77209119       1.24022063      -0.44630234
Cl       9.64322006       0.47839295       5.60082002      -0.02379606      -0.25446852      -0.22418172
Cl       0.01660908       6.45635004       4.46334998       3.17356297       0.08692509       0.15821756
Cl       3.40617003       7.24909000       3.06737001       0.61732087       0.41870910       0.64417375
Cl      12.04979998       8.72936999       2.12066000       0.88915309      -0.16382060      -0.52230924
Cl      12.66030002       1.91439999      11.38270005      -0.29278626      -0.42170420       0.29050537
Cl       5.96100006       1.54137003       4.77317994      -0.24050902       0.42295195      -0.28563827
Cl       9.23078996      12.15559994       0.97640302       0.95969007       0.10298356      -0.42645532
Cl       9.14417003       6.10810001       4.11035006      -0.24640569      -0.40808662      -0.12006521
Cl       7.63193001       9.67233994       4.82192005       0.34524696       1.43375115      -0.33559962
Cl       6.07077005      11.54200001       1.09832000      -0.82568028       0.79119216       0.29620243
Cl       8.36011999       2.58931995       8.57465998      -2.16442671       3.03237003       1.63023957
Cl       1.63188997       2.34894006       2.80012000      -0.16130703       0.10211301      -0.13172100
Cl       3.04718003       4.50420003       6.67326998      -0.67826860       0.55431384       0.05790074
Cl       4.37372995       4.37542996      10.82749995       0.52454693       0.38086100       0.05674090
Cl      10.75439999       9.24470999       6.52669001       1.43919774      -1.60695578       1.35110978
Cl      12.59059997       6.91809000      10.01999996      -0.09507514      -0.41624100       0.87670413
Cl       7.58232001       8.59675007       9.95938000       0.94944777      -1.01923121       2.57951907
Cl       0.08652261      11.08750007      10.38220003       0.13194104      -0.83592239      -0.98427867
Cl       3.50459004       0.45762595       8.74608003      -0.50560280      -0.23184703       1.01437598
Cl       7.40688003       8.55996998       0.23155095       0.33962336       0.72972277       0.82659732
Cl       7.16312999       2.40436005      12.00459998       1.25249060      -0.70897259       2.85709253
Cl       2.19761995      10.51770001       1.14254995       0.12845659       0.32966200      -0.55044868
Cl       9.86897999       4.32939996       0.21248305      -2.36823608       0.56652204       0.65031493
Cl       4.14672996       9.54453006      10.75230004       0.20974296      -0.01104316       0.26156281
Cl       8.82929005      11.90410004       9.00203994       0.16551047       0.41936668      -0.08834161
Cl       4.32021994       9.11672003       6.82401995      -0.25653943      -0.83031647      -0.36017302
Cl      12.01080002       3.06478997       7.83707001      -0.21110093       0.39406503      -0.01630521
Cl       2.02201001       5.89246002       0.78934395      -0.58269768      -0.77094621      -0.70896039
Cl       6.25162998       5.59667002       6.44648997       0.41600786       0.08513578       0.36594129
K        2.66511000      10.07760006       3.93663998      -0.10398743      -0.82864227      -0.27283313
K        3.62083995       0.85873997       1.41700996       0.17111735      -0.83111124       0.02820482
K        4.13275004       6.36289002       8.54255000       0.45922125       0.47334336      -0.29367071
K        5.26511001      11.75259997       6.11708006       3.75235877       0.04392392       0.76954046
K        7.02703000       9.03992002       7.62496999       0.04464763       0.34300265      -2.05389499
K        7.33669000      12.65909998       3.20977998       0.78424727      -0.16061597       0.51844429
K        6.46338996       7.38897996       4.09159998      -0.89681557      -0.89004009      -0.19369525
K        9.81365004       1.95669994      11.81879995       0.10468417      -0.81891716      -0.52692037
K        3.94356998       4.17007999       2.70275998      -0.27171045       0.58836720       0.48516576
K        8.95553997       2.85765995       3.93960994      -0.17957873       0.26231637       0.17281919
K       10.12270002       9.22205002      11.91979999       0.22505784      -0.25015285      -0.55689011
K        2.55466995      10.59400004       8.36547003      -0.32980467       0.49194683       0.59081846
K        9.71447007       5.15155006       8.15227001      -0.18408741       0.07108430       0.03331799
K       12.91659996       7.58346003       7.42521005       0.32825988       0.17348409      -0.79100622
K        6.53373006       6.16645995      12.44740002      -0.05894672      -0.78634664      -0.55032861
K        1.87585999       3.25299996      10.65319998       0.12851090       0.27608185      -0.66675456
K        0.05959987       0.52590495       8.69785003       0.08958042      -0.32136779      -0.23463261
K        4.67482997       2.50917006       7.44212005       1.25496211       0.18502732      -0.57604644
K        9.47931003       9.42738999       2.25348001      -0.97006261      -0.00196029       0.32987258
K        1.86825006       7.94703997      11.80240005      -0.19597042       0.59390374       0.03796506
K       12.74540002      12.29050002      12.68839994       0.00813082       0.06681275       1.47221996
K        0.69835301       3.66667000       5.52680002      -0.19709803      -0.35288773      -0.54519250
K        7.49611001      11.28040005      11.54499999      -0.01169813       0.13295384      -0.45961265
K       12.33579995       4.38049000       0.02847529       2.44945149       0.51274443       0.15473369
Li       9.66123006      10.32920001       5.43019995      -1.25101647       1.86786034      -0.88291366
Li       9.27851999       1.16750995       7.87228001       1.67937854      -3.43509686      -1.57694657
Li       1.14940004       7.62683996       2.27372001       0.08729670      -0.32993839       0.08127545
Li       5.86450004       2.75644006      10.77440001      -2.13901709       0.51951244      -2.56938736
Li      11.17129998       6.24794994       4.58951000      -2.71510560       0.19329967      -0.10609385
Li       5.02002000      10.33450002      12.82630000      -1.17942224      -1.19989784      -0.53397600
60
Lattice="12.99310009 0.0 0.0 0.0 12.99310009 0.0 0.0 0.0 12.99310009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-557.62521309 stress="-0.007172903362091052 -0.0024633072026911456 -0.0016639398274759796 -0.0024633072026911456 -0.018996196789342144 0.0014617898423898911 -0.0016639398274759796 0.0014617898423898911 -0.008869048221977401" free_energy=-557.62521309 pbc="T T T" config_type=melt 
Cl      12.51099995       2.90624998       7.43183003       0.13742486      -0.63079231       0.02552530
Cl       4.07870004       3.89655003       0.87749096      -0.06518292       0.04765894       0.38545634
Cl      12.67819997      12.36249999       6.50879007       1.30490334       0.74543288      -0.10014538
Cl       2.62288996       7.17687007      11.88670007       0.28099345       0.25091894       0.11159500
Cl      12.43050003       9.07194996       3.80992997      -1.45497619      -0.46091838      -0.00197597
Cl       3.24415998      11.62580005       2.65421996      -0.31663227      -0.76094549       0.06161674
Cl       8.56878995       5.45023999       1.13884003       0.35976838      -0.90895026       0.35129680
Cl      11.61750005       9.77872004       0.27804701       0.25093947      -1.12421762       0.69405904
Cl       1.11166002       1.59771007       1.38110001      -0.60984231      -0.04599007      -0.86675257
Cl       8.52598003      11.85569996       3.87940005       0.58073596       0.23573022       1.14487972
Cl       1.11535006       0.22715603      11.12249997       2.52111713      -0.87545070      -0.86618442
Cl       7.79672007       3.48745006       4.92912001      -0.02709707      -0.27725375      -0.15901568
Cl       8.15319006       8.47050001       1.68844998       0.11211617       0.24074027       0.38263807
Cl       4.31765004       0.76382901       5.27697999      -0.76857454       0.35564706      -1.14421609
Cl       2.53245006       4.78659999       5.67176000       0.51747959      -0.16969393      -0.28722647
Cl      11.17030003       1.75906995      10.70919998      -1.29518416       3.02047975      -2.24784695
Cl       2.82740006       8.20106001       3.71993001       1.50270191       0.10152435       0.25457156
Cl       8.94537001       6.80997000       4.93486998       0.02337153       0.32474498      -0.23654622
Cl       0.36697595       5.56916999       9.07279997       0.16873573       0.59268892      -0.09457884
Cl       5.73148006      11.18500003      11.66579995       0.77919656      -0.80009283       0.62595238
Cl      11.45129998       8.80792004       8.75822000      -0.21101250       0.07299478      -0.91933714
Cl       5.36563997       1.48393001      11.01480003       1.62616678       3.11609454       0.80247260
Cl       7.56511000      11.24050006       7.69228997       0.66442180       0.67446852       0.24675364
Cl      11.84230005       4.81586994      12.21100005       0.89957829       1.24431106      -0.14904434
Cl       5.57726002       5.57209006       9.57461000      -0.21575091      -1.13000462      -0.47711501
Cl       6.07762002       8.34938002       7.75255002      -0.73118149      -0.03564301      -1.66686343
Cl      10.24339994      12.66370006      12.33730000      -0.92538001       0.32597119       1.98342046
Cl      12.34029998       4.39727007       3.85516999      -0.84196018      -0.51567539      -0.11318822
Cl       9.48806998       6.12207006      10.49640003       0.74260101      -1.40491670       1.56593269
Cl       3.35382005      10.54740002       8.65464004      -1.77349605      -2.06437136       0.64532590
K       11.74440002       6.62397000       6.27009006      -0.06942374      -0.38601272       0.14452209
K        7.97597002      11.26439996       1.35070006      -0.21857818       0.20520225      -1.37438973
K       10.65349999      10.58490006      10.85049995      -0.15643169      -0.57999589      -1.25401294
K       12.91230003       7.87971999      11.08130002       0.10338784      -0.42336186       0.12080916
K       10.60040005      10.88829999       6.19074002      -1.45239944      -1.09918960      -0.08795902
K        7.83336996       0.42145199      10.18799996       0.52934030      -0.24748925       0.05574630
K        1.55640006      10.50429996       4.66644994       0.47512977       0.81855769       0.73668860
K       12.67860002      12.33589999       1.24325998      -0.24111692      -1.03051132       0.25235884
K        2.29019994       4.10612003      10.80089996       0.39063656       0.05420829       0.56367692
K        7.06372004       9.53009005       5.27349004       0.24951080       0.14014353      -0.05731218
K        8.41919000       7.72760002       8.97335000      -0.41990868       1.42380253      -1.60969134
K        3.45268000      10.13309996       0.32139992      -0.09903878      -0.57559647      -0.40103006
K        4.71052007      12.07020006       7.22405997       1.74265209       0.01435830      -0.49856020
K        2.41300995       6.89024994       7.54316998       0.60876595       0.44928036       0.18485169
K        5.33644005       2.88515997       6.53796997       0.27501653       1.27726096       0.49913568
K        3.97690001      12.68429997      10.21950004      -2.32770769      -1.46448692      -0.38184675
K       10.99070004       3.16035006       1.04693996      -0.21407986      -0.73650245       0.64058316
K        5.61050001       6.82059004       3.74901000      -0.06410148      -0.28802231      -0.11183950
K        4.01479997       1.12703995       2.36035995       0.86509022       0.67936181      -0.74204114
K        5.12335997       8.12684005      10.25270001      -0.74120252       1.11195557       0.96454014
K        0.85158896       6.57860004       3.01262995      -0.18901660      -0.33444326      -0.68901783
K        2.13979000       3.09864999       3.21161005       0.06726391       1.39728449       1.37884831
K        6.36903004       4.79055003      12.17839997       0.05630154      -0.36607991       0.10163210
K       10.40979998       1.91042995       5.45209995       0.24162173       0.15125823       0.16837320
Li      12.00560006       4.11104000      10.00190005      -0.68749240      -0.61118651      -0.08791620
Li       0.83319294       0.85050403       7.70993006      -0.79172548       0.56740141       0.07823488
Li      12.34040002       0.63200998      11.68829998      -0.98636563      -0.54015279       1.37684452
Li       8.67193997       4.82958000       3.38998999       0.15547196       0.60469317       0.20058818
Li      10.02540002       6.50441997      12.62359997      -0.08065161      -0.48825846      -0.00855145
Li      10.38030005       8.56474000       2.65700997      -0.25692983       0.13203119      -0.11472492
60
Lattice="12.99310009 0.0 0.0 0.0 12.99310009 0.0 0.0 0.0 12.99310009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-559.0777862 stress="-0.017790174716048386 -0.0041225031024993974 0.009403301299252114 -0.0041225031024993974 -0.007409103625586996 0.003337951222462377 0.009403301299252114 0.003337951222462377 -0.004403318472140322" free_energy=-559.0777862 pbc="T T T" config_type=melt 
Cl       6.50266005      10.65550002       9.38021997      -0.24180966       1.33748285       0.50149082
Cl       4.38157999       4.51409999       3.25299996       2.62239633       1.04144169      -1.06880730
Cl       6.00631999       8.48005994      12.96649997       0.52066548       0.00161911       0.10659146
Cl       1.10721001       3.96181996       1.93035006      -0.49302507       0.13225573       0.70092635
Cl      11.04319996      10.42109995      10.49470001      -0.31630635       0.51921254      -0.04640018
Cl       8.67995996       3.24096004       0.75971202      -0.29453181      -0.41657454       0.84083575
Cl       2.05613002       6.18515000       6.91976000       0.63854106      -0.00674772      -0.22672933
Cl       4.72666997       4.30153002      10.55270004       0.12316859      -0.15451697       0.00626710
Cl       3.63613998      12.65829999       7.28204999      -0.59942661       0.58177672       1.17053371
Cl       8.83618003       6.69404997       9.65418000       0.07065820      -0.12412280       0.09727846
Cl      11.73129999       2.67631005      12.76109997       0.06742088      -0.73079111      -0.45998243
Cl       6.67463997      12.95750004      12.69069998       0.40036083       0.12659723      -0.68783291
Cl      12.21859997       0.58069802       9.06319002       0.57274535       0.13725172      -1.49171863
Cl       4.32952001       0.75246694       3.93820994      -0.41150092       0.03777371      -0.27734428
Cl       9.57129000       6.28286994       2.22359004      -0.64507365      -0.26630719       0.28595435
Cl       1.90168000      11.15709995       1.02753996       3.21936820       0.32820939      -1.29907278
Cl       6.89564000      11.61710000       4.47795995       0.48726539      -0.10945655       0.74478395
Cl      11.41480003       8.04849997      12.73699998       0.03930617       0.47485526       0.54813319
Cl      10.34360000      11.40480002       2.33324998      -1.01859753       0.13552242       0.02966524
Cl      10.14699997       6.00195002       6.17922996       0.97071492       0.47747973      -0.68667354
Cl       1.87905005       1.76571994      11.38859996       1.15785289      -1.08779020      -0.03204520
Cl       1.17159004       9.90513004       4.43686004       0.25978871       0.43132131      -0.64803560
Cl       1.85062998       9.38203004      10.43079994       0.36405961      -1.60351236      -0.22932533
Cl       0.93735303       2.70452002       6.29354000      -1.32143210      -0.86040208       1.80951054
Cl      11.56519997       9.35958004       6.99929999      -0.19610997       0.18746724       0.01743714
Cl       9.02453996       2.84902005       4.43521005       1.28843052       0.43693731       0.02747655
Cl      11.98330000       0.76209404       4.23738997       0.88578719      -0.15632299       0.44724185
Cl       0.69620499       5.54737004      11.07669994       0.15266573       0.23370530      -0.25114776
Cl       7.19541005       4.37021999       7.16320002      -0.91040040      -1.04449623      -0.03886691
Cl       5.02790005       8.68910996       6.32473994      -1.39953187       0.30588225       0.85196962
K        8.75944005       9.48320003      12.55330002       0.22760335      -0.00798572      -0.00918155
K       12.66569995      10.31400003       1.49258003      -2.27022209      -1.67755855       0.54286629
K        4.62765995       8.79173999       9.27401996      -0.69695222      -1.02277066       0.28629543
K        8.61943004       9.49674001       8.43700003       1.80894371      -1.08582896      -0.46162645
K        7.05893001       8.63789999       4.76803000       1.70652929      -0.26267116      -1.21663806
K        1.41171994      10.09979994       7.20640000      -0.03744615      -0.14706344       0.45670238
K        7.67216002       5.20482996      12.23409996      -0.43680091       0.96096450      -0.88273710
K        1.29452998       0.46459987       2.35505994       0.17666359       0.85101070       0.36101571
K        5.95627005       0.44389991       9.40067994      -0.17892955       0.26616385       0.47022740
K        3.44986999       3.92937996       0.43869994       0.47036784      -0.26733636      -0.68773687
K       11.07289998       3.02812994       2.90038996       1.45279278       0.81743931      -1.32897238
K       10.31120002       0.36182406      10.96660005      -0.37954065       0.17328731       0.78406096
K       11.86369994       5.44653995       0.44264101      -0.08709443      -0.32250128       0.19118876
K       12.59510000       5.96086999       8.20099999      -0.75441164      -0.01403188       0.21207828
K        4.82799003       5.33156998       6.26575997      -0.38080329       0.74700224       0.01678092
K        6.71418005       2.31541006       4.86498997      -3.33280903      -0.88142528       0.78378043
K        1.04894999      11.83860000      10.62060003      -0.46288504       1.55761887       0.50480481
K        3.32505996       8.32505005       0.26829985      -0.98793049       0.15817085      -0.14634106
K        2.48316996       3.78120002       4.68086994      -0.63276868       0.00171687      -0.58158514
K        5.71064004      11.58080000       1.90579999      -0.89800898      -0.23157020      -0.08189119
K        0.66132697       7.17675001       4.59713006      -0.64328498      -0.22650782      -0.11582925
K        8.51377002       0.63520304       1.93621995       0.02635557      -0.06054582       0.14414500
K        2.82937994       2.43865001       8.58595995      -0.15591805       0.24641359       0.38939374
K       10.22300000      12.12379998       5.47313007      -0.52251826      -0.87936389       0.02634324
Li      12.22689997       8.54646001      10.83639996       0.36407876       0.12871084      -0.31828993
Li       8.06154998       4.43447997       2.79316999       0.84123900       0.24956224      -0.32116812
Li       0.63769200       3.36487004      11.43840004      -1.18153817       0.52792311       0.34976094
Li       4.51960998      11.31010007       6.02702995       0.90685972      -0.67799831      -1.15850448
Li       0.05669994       0.69069995       6.43600999      -0.21830613       0.34178279       0.09278473
Li       9.11584001       4.92312006       7.55920997       0.28328505       0.37164149       0.95615863
60
Lattice="12.99310009 0.0 0.0 0.0 12.99310009 0.0 0.0 0.0 12.99310009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-558.80668971 stress="-0.010893305796264432 0.00332798968651634 -0.0009132296096477906 0.00332798968651634 -0.005744305603089225 0.00020875563009588514 -0.0009132296096477906 0.00020875563009588514 -0.006667095862793407" free_energy=-558.80668971 pbc="T T T" config_type=melt 
Cl       3.24631995       1.52015997      10.14359994      -0.31314357      -0.05772597       0.16569072
Cl       4.84203999       5.50096999      10.55930002       0.01213666      -1.44419201      -0.73972394
Cl       6.93175003       9.07794004       2.40602005       0.80314260       1.01830274      -2.84506246
Cl      12.04460002       0.69395394       6.67213997      -1.17989364       0.67982569      -0.08139463
Cl       6.34772006      10.44579996       6.51061001      -0.33383169       0.27804619       0.47971642
Cl       1.51571997       7.43460003      11.93260001      -0.16629281       0.36905711      -0.45919569
Cl       0.13798997       8.92779996       3.67818994       0.61589578      -0.59774556      -1.42272730
Cl       3.84693003       3.00153995       4.26337006      -1.53594173      -0.45160408      -0.15360639
Cl       7.56726998       1.35211994       3.27201004       0.05949451       0.50307122       0.39022694
Cl       3.31223005       7.35454005       5.11126002      -0.11781723      -0.16857657      -0.44527336
Cl       0.31312903       1.96504995       1.89975001      -0.30944513      -0.53483980       0.27491330
Cl       2.33859002       4.12826001       7.71255999      -0.13202005       0.48432523       1.32751201
Cl      11.30000001       8.61713000      11.91719994      -0.52784448       0.71974982      -1.23128911
Cl      10.48519998       5.78980999       7.42584996       0.09169448      -0.09104976       0.20889834
Cl      10.57850005      12.68750004       2.23588995      -0.93340993      -0.52109565       1.22714826
Cl       8.82340001      12.22010003      11.00560001      -0.17744760       0.08466521       0.09497527
Cl       6.32945995       1.97638994      12.75059999       0.16637169       0.11501846       0.11043202
Cl       6.99890006       5.06637002       1.27803004      -0.34202122       1.91079380       0.43592052
Cl       7.23319996       8.60828001      10.41619999      -0.03480127      -0.31993236       0.45548706
Cl       3.57862004       9.39228003       9.67237996      -0.66668955       0.80783279       1.20627427
Cl       2.39905003       5.69869002       1.45902003      -0.30182505      -0.05937135       0.16230793
Cl       9.24614001       8.86347996       5.31237995       0.58866469      -0.14629570       0.05056407
Cl       1.61332998      11.98970001       5.07753006       0.01304574       0.17751737      -0.67740108
Cl       4.41441004      11.50930001       1.87870002      -1.13367437      -0.08827267      -0.07841420
Cl       6.81802000       6.23042004       6.74433002       0.07661477       0.01622846      -1.43049163
Cl       9.81699004       5.47209997       3.21696997       0.10613096      -0.09161588       0.39129354
Cl       6.02839994       2.37887005       7.97534999       0.29791132       0.10061956      -0.02745410
Cl       0.28602803       9.45181000       7.98494006      -1.47063887      -0.45067382       0.61287082
Cl      12.91159996      12.88320003      11.06959999      -0.72369797       0.64739090      -0.28007027
Cl      10.65690003       4.53049001      11.56659997       0.08220709      -0.43377501      -0.11347549
K        2.92670996       8.31799999       2.23766000      -0.04173614       0.41926193       0.60156252
K        1.91107999      11.20630001      11.16179994       0.68487978      -0.76769303       0.21346657
K       10.89599996       0.86370606      12.83420006      -0.24980703       0.62360798      -0.43779681
K        3.28990998       1.67119995       6.88976998       0.47181732      -0.49910260      -0.15730170
K        0.08993265      11.63509999       2.02128006       0.74440892       0.10759131       0.05075848
K       12.34329995       2.30042006       9.47365998       0.15761782       0.47830785      -0.27226112
K       11.80499997       7.55335995       1.21666999       0.54869836      -1.13132746       1.79374247
K        4.52565995       4.00100000       1.55916006      -0.18353964      -0.99510733       0.05587775
K        7.23097996       5.44510005       9.18118997       0.93292134      -0.43445745       0.59349412
K        8.51550005       1.41267000       9.16704997      -0.12711165       0.17554367      -0.05154438
K        6.18468004       7.93029005       4.45140997      -0.58723254      -0.84775474       2.44097910
K       10.07269997       2.41409994       4.24529003       0.61154151       0.22987391      -0.24968420
K        1.17621000       4.60544006       5.31639001      -0.05941718       0.45261129      -1.10697485
K       11.89039998      10.65110004       5.18203005      -0.53083341       0.27084268       0.77487815
K        4.58588999       7.41997006      12.06449999      -0.39673431       1.92810644       1.52490711
K        6.32590997       3.60824003       4.70684003       1.30842996       0.70667556       0.77112310
K        8.86435998      11.60149996       5.52540001      -0.70990222       0.34119400      -0.13120620
K       10.04130007       8.74787996       9.38242997      -0.35638014       0.14044816      -0.88597946
K        8.31767997       7.31468996       0.08591545       0.27751691       0.27632880       0.18043084
K        7.20699002      12.04710002       1.77737995       0.44662709      -0.39785524      -0.36136243
K        1.42020002       3.46680000      12.91079997      -0.07362586       0.22976068      -0.54977968
K        0.92474297      12.01060006       7.64689000       0.65296035       0.45125876       1.37569802
K        2.47286994       7.91761995       7.77153996       0.39285081      -1.44012189      -0.92770248
K        5.59796998      12.73559997      11.28769996       0.00057115      -0.11805070      -0.30812744
Li      12.72759999       7.54951997      10.50220002       0.36826593      -0.01037152       0.34993187
Li       7.74867002       3.31977995       0.79558298       0.68836596      -1.55241049      -0.27099878
Li       9.29931999       6.56868995       5.54323005       0.06125714      -0.07048547       0.06892596
Li       3.71347998       3.98491000       9.70330003      -0.37217112      -1.12372432      -0.85634893
Li       3.28244999      11.94630007       3.85382001       1.01011482       0.00762634      -0.62955291
Li       5.52910005       9.47544003       9.37794994       1.81677192       0.09374454      -1.20780650
60
Lattice="12.99310009 0.0 0.0 0.0 12.99310009 0.0 0.0 0.0 12.99310009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-558.25851433 stress="-0.012483532458495853 -0.005342473943806533 -0.0014274926061884526 -0.005342473943806533 -0.008104083676815066 -0.00187124842609612 -0.0014274926061884526 -0.00187124842609612 -0.006545184522018461" free_energy=-558.25851433 pbc="T T T" config_type=melt 
Cl      11.20199994       6.46820001       0.54028506      -0.67837222       0.11406253       0.52394888
Cl       7.19789004       4.95669994       5.72414000      -0.27374556      -0.07280272      -0.68139348
Cl       8.68516006      11.30340005       3.79223999       0.29022916      -0.36197562       0.17596864
Cl       0.45146800       7.94984999       5.17368004       0.27646142       0.38014006       0.01585872
Cl       7.05856997       0.60860603       9.41164001      -1.19824557      -2.87296600       0.70490265
Cl       5.52373001       4.49480004       0.11969997      -0.99742304       0.61310050       0.27269959
Cl       4.17598003       5.89126999       7.97639996      -0.61310941       0.72696285      -0.20470415
Cl       6.08590000       3.57622996       8.64917995       0.25910357      -0.31309020       0.86735167
Cl       9.70028004      11.83750000       7.55651000       0.82656108       0.51248609       0.57744897
Cl       3.90432003      10.25759997      12.28660001       3.43667890      -0.19810882       1.62677960
Cl       7.26322000       7.28947996       1.28662004      -0.30430629      -0.55190084      -1.04225471
Cl       8.45182997       8.45151995      10.99480002      -0.49087761       0.72331428      -1.67206966
Cl       4.86594002      10.37200006       4.88903006      -0.05006295      -0.17312765       0.03060870
Cl       1.14407001      10.68669996       8.13035001      -0.60376918       0.83046830       0.31119439
Cl      10.19299997       9.93431995       1.01738001      -1.31444212      -1.21794733      -0.94159358
Cl      11.76149998       3.88988002       7.89993998       0.37534847      -0.16893920       0.14052037
Cl       1.84643997       8.39076006      11.23339998      -0.28259002      -0.77782235      -0.64731260
Cl       0.36987601      11.74530006       4.06998999      -0.44938582      -0.26161454      -0.56903765
Cl       2.72039005       0.60368594       9.47695997       0.49303797       0.23641976      -0.09961725
Cl       4.28258998       1.19590000       6.08452000       1.47396410       1.42686693      -0.43881906
Cl       0.55645394      11.42150005      12.78349995       2.12270047      -0.41698154      -1.95172603
Cl       8.84710995       3.04558994       1.86575005      -0.46971700      -0.75225693      -1.22711507
Cl       2.29896002       2.81338999       1.03758999      -0.57736443      -0.21916619      -1.02963547
Cl       5.94868000       8.85613002       8.62307006      -1.12364690      -0.46574410       1.23437227
Cl       6.44218003       0.44108495       0.94356802      -0.17446951      -0.00239946      -0.20635738
Cl       2.23713002       5.24144997       4.10648994       0.41284703      -1.20165324      -0.20657038
Cl       9.60832995       7.37743000       6.07251996       0.25248838       0.32744346       0.00181997
Cl       8.54547994       3.59540999      11.11770006      -0.03471711       0.02522082       0.68700193
Cl      10.73120003       0.56304300      11.94609997      -0.31684939       0.39980061       0.10192712
Cl      11.92800007       2.50478996       4.16902002      -0.70795425       0.46982841       2.92866152
K       11.75369997       9.76488005       6.79217997       0.04284274      -0.12676716      -0.57636057
K       11.03269998      10.81790000      10.72499998       0.25555307       0.16741490       0.04587536
K        3.87449996       7.26705998       3.68116003       0.39864064       0.65892788       0.32425111
K        2.05324997      12.90639999       5.96497997      -1.44797020      -0.89608780       0.29835431
K        4.93903998       6.36880007      10.92849999      -0.07836484       0.49054591      -0.35014591
K        4.60792005       3.03220003       2.51157002       0.25507286       0.03835979       0.65190680
K        0.16503394       6.12374006      11.68350007       0.30499158      -0.11085052      -0.43283655
K        6.81534004      10.59530000      12.20139997       0.15490748       0.34448311       0.03906567
K        9.27673006       4.92430996       3.63551995       0.30089916       0.74606957       1.00507458
K        8.31160999       6.16744002       9.39781003      -0.04941851      -0.85256384      -0.97843233
K        6.49077994      12.87510000       4.32203001      -0.09618591       0.31362287      -0.16023741
K       12.64780001       5.23741002       5.14059999      -0.44320096      -0.20951368       0.64847084
K        8.03662999       9.81644005       7.60305999       0.98277524      -0.47141018      -1.16170095
K        2.52799005       3.64023995       8.18679996      -0.27803924      -0.58064276      -0.26943940
K       12.01580003       8.56922003       2.73277001       0.34704113       0.11537585       0.13030998
K        5.25733001      12.14149996       7.83460002      -0.33405739      -0.23195971       0.19419702
K       12.41830002       2.38537999       1.83720006       0.52616340      -0.11515289      -3.18602478
K       11.68790005      12.01039997       1.28687003      -1.01356582       1.77626443       2.27101632
K        4.10956996      10.56870000       1.97740002      -0.26966148       0.50954380       0.65787648
K        0.83882597       1.55413004      11.28670001      -0.61738454      -0.40796957       0.50733787
K       10.63209997       1.16387994       6.31076002       0.15129565       0.33734436       0.01384309
K        8.09260999       8.25807997       3.60347000       0.34751129       0.97874619       1.19307084
K        3.24353995       9.05207000       8.17693001      -0.09602807      -1.18281379      -0.32453752
K        4.83905002       2.29627006      11.71970001      -0.01653234      -1.17844232      -0.81762195
Li       7.53217003       4.61262005       0.49366101       1.49782940       0.07236242       0.05858395
Li       8.12590000       2.16186995       9.41028003       1.06141787       2.56473011      -0.05542931
Li       2.51266001      10.63530004      11.11620001      -3.19067674       0.65188634      -1.67618548
Li       9.43496003       8.24275007      12.66514905       1.11615074      -0.68017094       2.44864830
Li       8.40214006       1.50923004      12.79640002       0.37405839       0.23493156       0.13168497
Li       5.34242000       4.20367002       6.68937999       0.25556323       0.28611819       0.08652620
60
Lattice="12.99310009 0.0 0.0 0.0 12.99310009 0.0 0.0 0.0 12.99310009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-559.15040019 stress="-0.010036321733349812 -0.000642766382077019 4.9569722194762915e-05 -0.000642766382077019 -0.004641236155528853 -0.0007181259450818221 4.9569722194762915e-05 -0.0007181259450818221 -0.004738126453380339" free_energy=-559.15040019 pbc="T T T" config_type=melt 
Cl       2.17508004       3.77858996       6.92467997       0.24188172      -0.49941420       0.65467073
Cl       4.99559999       0.14100697       0.97303806       0.00487469       0.28974686       0.05391566
Cl       6.35269005       9.91130995      12.94670004       0.49772420       0.00022603      -0.57634667
Cl       2.89164002       7.07245998      10.62129997      -0.91318246      -0.95545564      -0.37475045
Cl      10.37759996       9.28225005       6.36205002       0.50379065      -1.78363222       0.09367282
Cl       5.08441003      11.44299999       8.92800006       0.41680609      -0.36639344      -0.63790530
Cl       3.90518005       3.42828000      10.74019996      -1.09317515       0.41174337      -0.00828254
Cl      10.11550002       2.53459002       1.70641996       0.24367161       0.05330687      -0.06891974
Cl       1.45145999       0.22689201       1.85495006      -0.21146754       0.56677100       0.06718718
Cl       0.17045206       5.53510001       1.88242995      -0.65390446      -1.04316519       0.72396807
Cl       9.69932999       4.43655003       4.98192995      -0.37040000       0.04972819       1.23518778
Cl       7.45467996       6.33775994       0.73168798       3.30161024       1.04780299       1.18200349
Cl      12.36350007       4.71650001       8.78213003      -0.18265202      -0.46955610       0.43129609
Cl       5.70122004       3.20322002       5.43128995       0.01503697      -0.93027860       0.97053324
Cl       4.79092994      10.96190006       5.45904996      -0.46274978       0.04625370      -0.54876691
Cl      11.90360006      12.93700004       5.87579001       1.20994069      -0.60845078       0.74866112
Cl       1.33621002       9.77022996       9.14130999      -0.31359720       0.13590325      -0.60825915
Cl       7.78176995       8.10644998       3.94264994      -1.05443889      -0.89337739      -0.11979335
Cl       4.11116005       7.29847002       6.93906996       0.72251765      -0.16384630       0.23448379
Cl       8.49567999      11.91389995       5.13648001      -0.51132835      -0.31528780      -0.36046453
Cl       8.24577005       0.79840703       8.25072003       0.12604783       0.38862072      -0.15613386
Cl       8.21279006       6.65122004       9.47335997      -0.72583061       1.32559783       0.31733794
Cl      10.80619997       7.78903998      12.27140003      -0.91981475      -0.35117820      -0.02630669
Cl       3.09449999       7.92003004       1.04094000       0.41504056       1.29625727       0.53122741
Cl      10.64060005       9.62083997       2.75422006      -0.42585402      -0.22525765      -0.76827984
Cl       0.43295296       9.29138004       4.11285006       4.25213326      -1.33347351      -0.94061106
Cl       3.62438005       5.31226003       3.76509000      -0.20494648      -0.26822386      -0.61298287
Cl       7.00739002       3.40284003      11.32140004       0.86081136       0.19942240      -0.11501324
Cl      10.87540005       0.13341497      10.91530004      -0.77474831      -0.33645727       0.09218506
Cl       1.31950999       1.31770005      10.95710002      -0.00893603       0.02463781       0.29376798
K        9.82447004      11.35820000       7.80996004      -0.13641397       1.53566568       0.61177273
K        9.38849995       4.95464002       7.87107997       0.58754973      -1.33667654      -0.79884842
K        5.83754001       0.50698505       6.43785995       0.69246901      -0.38358499       0.68583819
K       11.64009999       7.44874003       9.35487004       0.31184070       0.52559368      -0.00427718
K       10.49200004       5.38530996       2.69263003      -0.22197786       0.10795456      -0.98049837
K       12.45139995       1.08641001       9.00256005       0.03472506       0.35551268      -1.54160168
K        2.71999000      11.36320001       3.34780997      -0.20591235      -0.58885312      -0.28168066
K       12.25890002      12.28819998       0.12315003       0.45977683      -0.04701410       0.69823939
K        2.08192003      12.16490001       7.03898001      -0.00169382      -0.42535844       0.39982432
K        4.16275994      12.22600006      11.35490002      -0.68436614       0.51033947       0.68435150
K        8.05539996      12.90892533      11.05140004      -0.78574732       0.42547115       0.23106024
K       12.97240000       8.09386005       1.15021003       0.50746257       1.28101129       0.20592058
K        2.31815005       5.48991001       0.33020496       0.57463809      -1.19230909      -0.94942002
K        3.72750005       8.29619004       4.30122000      -0.18286431      -0.50040564      -0.57135066
K        6.32166006      11.18750003       2.38604004       0.79600344      -0.42931922       0.91598499
K        6.92828997       8.66550994       7.01381004      -0.24113251       0.22213679      -0.23570385
K        5.08660002       8.50892996      10.88549998       0.40069881       0.72433935      -0.38375167
K        5.19459997       4.21814004       8.36001007      -0.01200735       0.12202821      -0.11863847
K       11.54439996       2.99863002      11.87929998      -0.08250774       0.00588512       0.34673901
K        0.66009600       3.90524995       4.54364994       0.10955122       0.20429892      -0.32146122
K        9.93873007       1.61245996       5.01059000      -0.73403823      -0.16010995      -0.50399037
K        6.55223003       4.87681005       3.59700996       0.63185409       1.05733251      -0.70965074
K        4.44862997       1.65353999       3.26702004      -0.47278356       0.52961426      -0.17696176
K        5.39919998       5.66040001      12.64140000      -2.64174031      -1.36505908      -1.59247345
Li       9.34575005       7.65999004       1.21403006      -0.34126796       0.92375480       0.15082249
Li       1.78603998       3.86644995       9.25593005       0.39263449      -0.06303343       0.15166383
Li       9.18720006       9.49927003       4.53242000       0.26524128       1.04983367      -0.21886908
Li       2.40346002       8.04663000       7.97389996      -0.22832015       0.19455696       0.96738064
Li      11.87050001       9.99795002       4.78190000      -3.01952859       1.60118822       1.03579061
Li       8.51782998       6.82038007      11.60560006       0.24299538      -0.17736387       0.59650694
60
Lattice="12.99310009 0.0 0.0 0.0 12.99310009 0.0 0.0 0.0 12.99310009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-555.49922724 stress="-0.013679259000207226 -0.0006978836948960677 -0.0036989752272385676 -0.0006978836948960677 -0.006388724118873375 -0.002305793613537667 -0.0036989752272385676 -0.002305793613537667 -0.014118531032306024" free_energy=-555.49922724 pbc="T T T" config_type=melt 
Cl       0.94383906       7.61014006       1.48255001      -1.42233399      -2.79522392      -6.03274171
Cl      12.35889999       5.62296000       6.73839997       0.83666146      -1.59204724       0.28211862
Cl       9.41765998       1.69089996      10.17499998       0.26784664      -0.37223090       0.20863241
Cl      10.96180001       5.81979000      11.10620000      -0.30869344      -0.10897581      -0.23181720
Cl      11.63520003       8.86729006      12.12759994       1.62949691       0.92825872       3.83358706
Cl       0.75394698       8.96482003       8.22860006       0.30744027      -0.06078414       0.09580603
Cl       5.44139000      11.50210002      10.89510006      -0.72524055       1.37492934       0.53592094
Cl       7.34363001       4.02220006       5.75306004       0.15637499      -0.11391255      -0.10443913
Cl       8.47479995       4.13799002       2.33642004       1.99823254       0.19118624      -0.52773096
Cl      10.73269995      11.05500004       4.02690006       0.50573857       0.31470521       0.13222090
Cl       8.65566000      12.75810000       0.97736801       0.30187053       0.16955187      -0.12840126
Cl       0.69847294       3.99355002      10.89599996       0.74027491       0.38653611       0.01209896
Cl      12.47020005      12.41069997       8.78889996       0.66910289       0.39354259      -0.09319422
Cl       3.85242000       4.83798004       2.91249005      -0.69339148       0.55998390      -0.02845758
Cl       3.22556997       3.23571005       6.92305999       0.51393524       0.57786884       0.03338494
Cl       2.51524005      10.99779999       2.83091001      -1.67525164       0.04425226      -0.17507027
Cl       3.37072005       9.13240998      11.20050002      -0.82870463       0.53992652       0.08081987
Cl       4.76795996       4.50518998      11.68280000      -0.27456653      -0.58960192      -0.21948729
Cl       1.12065995       0.16747106      12.62829996       0.57456138      -0.91873357       0.61946984
Cl       5.22558007       0.63821198       2.40426000      -0.14430347       0.36739387       0.39118152
Cl       9.23258002       7.62593005       3.13578999       0.09356209      -0.37017094       0.43141261
Cl       0.38706497       3.04904000       1.50274999      -0.49634652       0.28969542      -0.32850744
Cl       7.08666001       8.03476003      10.92069998       0.38076559       1.38591294       1.37341352
Cl       1.18762002       7.83821002       4.89413999      -0.93835433       0.50989974       0.56847690
Cl       8.22972994       6.82518998       8.11713005       0.48574078      -0.24205150      -0.44501212
Cl       9.20797005      10.04749998       7.80566997       3.67068319       0.34676630      -0.30573541
Cl       4.79406999       7.41498006       7.94501006       1.42170369       1.55441524       1.44070940
Cl      11.47569999       1.90406995       5.43776999      -0.29054794       0.31066574      -0.78112548
Cl       6.01741999       8.74856002       3.38721999      -0.01429262      -0.54330668       0.59236831
Cl       7.21246999      12.56539998       6.60486001      -0.55121670       0.00068688       0.04147485
K        2.86659998       6.73147998       6.57399997      -1.20751879      -1.58836210      -0.81532799
K       11.12299995       7.93301002       6.89940995      -0.71739772       0.87226658      -0.34889247
K       10.74109999       1.94965001       1.89415999      -0.78160085       0.26479610       0.45019456
K        2.81693996       1.97543001      10.95270003       0.52152117       0.55037158       0.10380564
K        2.30442999       1.04111996       2.40792003       0.14013325       0.18146501       0.12753805
K       11.57000001      11.90649999       0.60247095      -0.63046591      -0.94002350       0.09800639
K        3.33649999       6.98692004      12.74370000       0.43400160      -1.28270801       1.05109077
K        9.05997007       8.02116002       0.02099997      -0.12400207      -0.45485567       0.58067684
K        7.13792000      10.66759997       9.01451994      -1.30521460       0.24496632       1.27924712
K        6.03679998       0.92054295      12.70720005       0.78206645       0.12613075      -0.59430114
K        8.40159006      12.80349997       3.90287000      -0.25933454       0.08919601      -0.01438035
K       10.21340004       4.94753006       4.88388999      -0.79087329      -0.09616954      -0.45055241
K        0.24520994      10.73879995       5.90530006      -0.11110357      -0.02217210      -0.17960265
K       10.19629995      12.96030005       7.13297002      -0.52209969      -0.24835508       0.29928683
K        1.05139997       6.63710005       9.98733998      -0.26024158       0.37106153       0.07916383
K        6.06971995       3.37375004       2.79268002      -0.53494402      -0.58915057       0.63342286
K        7.26652999       9.41781005       6.29308005      -1.29342822      -1.08381420      -1.71330043
K       12.46940007       1.69178998      10.98450000      -1.64795696      -1.26504701      -0.69196742
K        9.88362997       3.89700999       8.47727994      -0.33402964       0.82661079      -0.16150749
K        1.18650002       4.93271000       3.75096000      -0.33072749       0.31248891      -0.00252826
K       10.90319996       8.99645005       9.89732002      -1.04862697       0.00848124      -3.38187565
K        0.84340305       2.11795002       6.87958001      -0.96457180      -0.29114088       0.45033926
K        4.95796001       1.23183996       7.81489001       0.92544443      -0.03591669      -0.15569636
K        5.04216999      10.92789997       2.05575998       1.18017873      -0.60790535      -0.80842550
Li       7.16306996       6.68549999       3.65555999       0.29845386       0.13270902      -0.16321951
Li       1.79589005      10.99139998       0.48904794       0.20714176      -0.32388127      -0.12247909
Li      11.95090001       4.42772005      12.45600002       0.42186058       0.47937073       0.10414612
Li       6.23631995       6.88164994       9.56294999       0.04569215      -1.19852412      -1.06728317
Li       1.34871004       8.30538006       2.97926003       1.76273332       3.27538457       4.41518902
Li       3.69269998       9.21109996       9.12055001      -0.04583743      -0.24641159      -0.27214400
60
Lattice="12.99310009 0.0 0.0 0.0 12.99310009 0.0 0.0 0.0 12.99310009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-559.92273409 stress="-0.004802203028126973 -0.00010903895845937938 0.00036264656621308255 -0.00010903895845937938 -0.011165921920061014 0.0021488195529160477 0.00036264656621308255 0.0021488195529160477 -0.005306819797279619" free_energy=-559.92273409 pbc="T T T" config_type=melt 
Cl       4.57207001      11.26210005      10.60210007      -0.08538582      -0.12164332      -0.23155827
Cl      10.68169996       7.42231999       8.99037006      -0.39653878       0.40041386       0.01756412
Cl       8.98590004       5.52682002       6.02125998      -0.10726007      -0.42291808      -0.21131997
Cl       6.61022005       6.23773996       8.75518000      -0.51068798      -0.38487744      -0.53989235
Cl      10.18760003       3.33303005      11.74380000       0.64120622       0.48848363       0.03033799
Cl      11.52010001       9.83606002       5.53290002      -0.00522518       2.75286949       0.50467874
Cl       7.63622994       1.32625003      12.21480001      -0.41106300      -0.60889092       0.71722674
Cl       4.83260999       3.99485998      11.91830007       0.23873925       0.18346811      -0.55867181
Cl       4.48092003       0.14052804       3.70691002      -0.48634097      -0.96088153      -0.51684802
Cl       7.61715997      12.43039998       8.66744994      -0.95065238      -0.33437005       0.06144891
Cl       7.98861997       8.51012000      11.56890001      -1.71858103       0.32023382      -0.42582113
Cl       0.35819989       5.27964994      12.58210001       1.25317821       1.78950292      -0.60948676
Cl       1.33964995       1.59210003      10.26080004      -0.18550537       0.00518375       0.11002330
Cl       1.83812997       7.38708998       2.69655005       0.85649685      -1.43025348      -0.15636387
Cl       4.20201002       2.60073997       7.01775006       0.36556277       0.61677821       0.37641928
Cl       2.38110006      10.62010006       1.69664005       0.83690345       1.12354673      -0.11833835
Cl      10.94070000      10.77319997       0.44683297       0.02225891       0.69647312       0.71074608
Cl      12.19930002       3.17450995       1.99653002      -0.28362003      -0.65139689       1.86862556
Cl      12.59400000      11.14579998      10.43910007      -0.21494072      -0.44422968       0.02891715
Cl      12.72960002       4.91725003       6.17316997       1.60046408       0.89982365       0.34965906
Cl       7.77200004       1.29769003       4.45553996      -0.06611381       0.13315412       0.10780811
Cl       2.91202996       2.15481002       1.58284999      -0.49171367      -0.06933654      -0.06365750
Cl       6.87020003       5.83225000       1.69177998      -0.90084937       0.21952140      -0.33753637
Cl       0.11255806       1.60434005       5.64441005      -0.65083024      -2.66053143       1.16000364
Cl       5.81852006       9.28211998       5.39405003      -0.37269825       0.50349551      -0.36146966
Cl      10.36700006       7.88843005       3.06476996       0.00044701      -0.78549325      -1.12935736
Cl       4.83745005       5.36838996       4.85353005       0.88668121      -1.62251430      -2.27965344
Cl       2.18602997       7.25341995      10.28870000       0.43973467      -0.82645830       0.26454124
Cl       3.30993001       9.19309997       7.71874003      -0.75264508      -0.50081033      -0.09967115
Cl       3.05795001      12.26450005       6.89630005       0.10312460       0.31101004      -0.82973208
K        0.58099596       9.52543995       3.41915001      -1.82091790       0.83058893       0.62167729
K        9.40930996       4.97138994       2.29024997       0.69979389      -0.17728341       0.36353345
K       10.37229994       8.27655006      12.50340002       1.45333846      -0.86870480       0.31620930
K        5.77915006       2.79735000       1.48997998       0.58549557      -0.27582673       0.26365584
K       11.54579997       7.34728003       5.48383001      -0.26933444      -2.25855883       0.42781427
K        5.62958999       1.62760004      10.31480002      -0.29705311      -0.38743302      -0.62205345
K        1.55227995       8.36791000      12.89502141      -0.50578595      -0.02834940      -0.28173258
K        4.92139002       8.16454005      10.34159997       0.46490414       0.24233980      -0.05682799
K        0.28237398       8.56041005       8.82548996      -0.09337806       0.85329019      -0.36879503
K       12.83490000       0.19452100      12.80870006      -0.07299885       0.14163873      -0.38017347
K        9.14836005      10.29370000       3.35634007      -0.01319583       0.75981155      -0.03026875
K       11.17429995       3.22663995       4.97824003      -2.00160115      -0.15391329      -1.23159111
K        2.76448006       4.01905002       9.65357998      -0.03243558       0.12010216       0.19036156
K        0.43029704      12.62180004       8.15225001       0.18265085       0.43172776      -0.21828559
K        7.95804006       5.29759004      11.77830006      -0.34872738      -0.01827242      -0.37951410
K        1.76770997       3.26937997       4.76844006       1.76463185       1.24690670      -0.94588908
K        4.65935999       8.17261994       3.08099003       0.37170563      -0.53390231      -0.26781571
K        9.33102004      11.30909999      10.51369995       0.43211015      -0.25910398       0.73283594
K        4.09273999       6.77067003       6.69273000      -0.86732596       1.39548622       2.19279548
K        3.51617001       5.30386999       1.02759999      -0.62119964      -0.18885634       0.25865185
K        8.03509005       8.30988996       6.83589006       0.56088838      -0.40386203       0.57567977
K       11.87589994       4.90835002       8.76529006      -0.34207625      -0.58659684       1.13913196
K        9.04151999       0.91996099       7.03151002       0.53848926       0.55360697      -0.64248096
K        5.62957998      11.85909999       0.16869202       0.20959953       0.30771183       0.13308474
Li       5.02409996       1.10008005       5.56579997       0.29270740      -0.00189647       0.31678082
Li       2.45652994       0.07551252       2.40338998       0.61100076       0.17309235       0.07921537
Li       6.21758000       4.72138996       6.71082004       0.41899154      -0.06147298      -0.13979241
Li      12.19350003       3.76716994       0.09063597      -1.21528406      -0.73927317      -1.19688827
Li       3.29262996      10.84990005       5.02311002       0.85569796       0.63651408       0.71075975
Li       4.23221001      10.99909995       8.24424999       0.40516332       0.63113594       0.60129931
60
Lattice="12.99310009 0.0 0.0 0.0 12.99310009 0.0 0.0 0.0 12.99310009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-557.520851 stress="-0.010617924315676047 0.0025697773557226034 -0.006478710365163756 0.0025697773557226034 -0.01075616667118452 -0.0025219809211686132 -0.006478710365163756 -0.0025219809211686132 -0.010892451733121682" free_energy=-557.520851 pbc="T T T" config_type=melt 
Cl      11.62619997       6.95725003       2.20828001       0.41395542       0.26963126       0.66464696
Cl       2.07006006       6.78616001       9.86713003      -0.02635161      -0.09781291      -0.00452065
Cl      11.57260006       5.49932000      12.27479994      -0.81195135      -0.06409109      -1.29774952
Cl       0.89214497      12.54239998      10.99100005       0.25183023      -0.58643249       0.72857361
Cl       9.55838006      10.43070003      12.12549999       0.59253436      -0.12020624       0.10940861
Cl      10.48340004       7.68531996       8.72918003      -0.71965470       0.54236218      -0.44960611
Cl      10.60060001       3.31125998       3.30745002      -2.11768387       1.14972272      -1.02828107
Cl       4.90150006       9.44108004      10.40460001       0.96381481       1.08836595       2.11605727
Cl       6.38146002       0.97320204      10.35379997      -0.13361619       0.19201976      -0.12798962
Cl       4.43542002       8.93824005       5.38830994       0.22335818      -0.23712791      -0.37893669
Cl       0.91911397       0.51985900       6.42522000      -1.10474628      -3.88039559      -0.23743342
Cl       2.93045002       2.58507003       7.82046002       2.54975215       0.96828139       1.88912441
Cl       4.07310001       4.00870998       3.35410005       0.26612228      -0.13728932       0.26045872
Cl      10.83910006       0.17155206       0.86515402       1.61677489      -1.08547099      -0.88934891
Cl       3.20490003       7.57135994       0.72951995      -0.29683878      -0.01611934      -0.53739703
Cl       9.84098999       2.75600999       9.45120998      -0.39182448       0.29238038       0.08578069
Cl       0.93274594       4.07384998       5.48730996      -0.25861369       0.65513029       0.06149036
Cl       6.99829004      12.98869998       1.88647002      -0.06573255      -0.12051403       0.36600994
Cl       7.52233997      11.05619995       7.19300996      -0.15380162       0.28779009      -0.20777147
Cl       1.24179995       8.48633002       6.81439999      -0.51651237       0.12364459       0.05686423
Cl       6.70659000       6.43075000      12.91180005       0.27962742      -0.00310662       0.04632673
Cl       3.60483999      12.53810005       8.49684001       2.55075049      -1.41465136      -0.55054603
Cl      11.42359999      12.70470004       9.23461994      -0.21054387       0.67718855      -2.97294236
Cl      11.96510004      11.87289997       3.51028998       0.07249826       0.16462009      -0.06533382
Cl       6.53066005       1.71311998       6.47432002      -0.10739078      -0.25699888      -0.20479893
Cl       7.82277006       6.17399997       4.98502997       0.47202763      -1.52934854       0.09303546
Cl       8.92123000       9.93613002       3.92712994      -0.10180817      -0.10538976      -0.29466197
Cl       5.83715996       6.38293006       8.48492001       3.77273481       1.70273997       2.64467842
Cl       2.62691002      11.41420001       1.36382998       3.34952862      -2.73120971      -0.10558063
Cl       1.96914005       2.56499998      12.24970000       0.35436458       0.32507917       0.33880769
K       12.37450002       1.86526996       4.35504002       0.89371260      -1.10600358       0.45782357
K        8.62109004       6.59248005       2.40174999       0.64530251       0.47814611      -0.82095870
K        4.40213000       0.90304696       4.76991997      -0.67579540       0.33725374      -0.30166637
K        5.64775006       9.35544005       0.15094903      -0.08048678      -0.12871896       0.48237528
K        2.54367999       7.26203997       3.38351994       0.05923180      -0.07049852       0.87969941
K        7.92070997      10.86320005       9.95063006      -0.63721021      -0.13642431      -0.33302746
K        6.13666001      11.02519997       4.08849996       0.37537272      -0.12714419       0.19149862
K        1.42046001       9.67209996       9.91126005      -0.01988482       0.07489530      -0.06774838
K       12.21889998      10.79360004       6.05560996      -0.04935216       0.09848465       0.47819971
K       11.83670002       7.00624000       5.67498996      -0.10275025      -0.30014942      -0.34451843
K        4.07605997       5.69949001      11.62110005       0.19652782      -0.19323790       0.19290665
K       12.34639998       5.88141004       9.38572995       0.51788377      -0.60858283       0.07758116
K        0.91222906       0.02448381       1.37887001      -3.03957724       2.77425586      -0.15354137
K        4.18593002       5.35116994       7.25817998      -4.25288136      -2.31159102      -3.16531340
K        7.46148002       3.66154006       8.07649997       0.24927607       0.99658848       0.16909815
K        7.33995998       8.27220997       6.26661999      -0.27030903       1.92334340       1.03930660
K        3.93622004       8.65271005       8.27154005      -0.80694493      -0.38405825      -2.35332793
K        7.09646006       3.85176996       3.83450005      -0.33874536      -1.05544022      -0.32792317
K        8.99612002       1.82776005       0.85294596      -1.46688287       1.89137657      -0.10360415
K        3.78952002      12.72580006      11.75009997       0.13773007       0.18897116       0.12093102
K       12.53629998       2.65188003      10.75989997      -0.13900605      -0.43130160       0.01423421
K       12.13610002       8.76651999      12.94494597      -0.28863184      -0.03894367       0.29591584
K        8.12434005       6.47992005      10.30549994       0.52014605       0.22725175       0.40062568
K        0.81051894       5.15737006       0.68739801       0.81556631      -0.22342925       0.79162121
Li       1.82090996      12.81690001       9.06116998      -2.57017167       1.02252465      -0.06450227
Li       9.73061997      12.13759995       2.59520998       0.07823450      -0.69399859       0.24850091
Li       8.28464995       1.08352996       9.38230003       0.76269794      -0.11815049      -0.33856429
Li       4.98019004       1.28524004       8.20023002      -0.15975674      -0.11737306       0.19355313
Li       1.47817004       2.25554994       6.62108995      -0.50970298       3.05736790      -0.88133427
Li      10.89640002      12.11540007      10.93780007      -0.55619630      -1.07820531       3.11379418
60
Lattice="12.99310009 0.0 0.0 0.0 12.99310009 0.0 0.0 0.0 12.99310009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-556.84019215 stress="-0.010443445693050522 -0.0023490325293354826 -0.003990523770598763 -0.0023490325293354826 -0.010088486893491937 -0.0025553681703055346 -0.003990523770598763 -0.0025553681703055346 -0.015340591019064757" free_energy=-556.84019215 pbc="T T T" config_type=melt 
Cl       9.61827994       7.66505994       8.61401997      -0.03344019       0.23139493      -1.04655332
Cl      12.80819996       6.89662994      12.95470002       0.17928425       0.30817584      -0.72028805
Cl      11.69349995       4.05295005       1.68906000      -0.79599168      -0.03940953      -0.94569161
Cl       6.88845001       9.95295998       6.57173995       1.58646017       0.91939813       3.08929037
Cl       9.52305000      11.72599998      11.23800006       1.21868540       1.56975376       0.21534876
Cl       9.21202000       4.81297001       5.88070997      -0.56941995      -0.42880508       0.59416032
Cl       4.92224003       8.12878005      10.24530005       0.41242944       1.03375704      -0.60831413
Cl       8.24938005       0.62226802       7.79049001       0.07677921       0.32424916      -0.41935863
Cl       1.80366006      11.52230000       9.56296000       1.59227863      -0.26307747       0.66765484
Cl       1.68563996       9.87605005       6.07947998       0.03539046       0.17437225       0.09924354
Cl      11.46030004       0.34148102       1.73007000      -0.14968449      -0.64129456       0.12026935
Cl       1.45472996       6.05989002       9.31029006       0.02312843      -0.22930687      -0.01831512
Cl       7.55343999       5.62190002       0.97125203      -0.13868931       0.60016337       0.20249567
Cl       5.68623003      12.81470002      12.63430005       1.04431688      -0.39572592       0.41636749
Cl       8.99455007       3.73817999      11.14599994       0.57992471       0.22197468      -0.30321712
Cl       5.72026000      12.32160005       9.30212000      -0.19249300      -0.09728122      -0.55483157
Cl       0.74968797       6.54940000       3.11398003       1.33136773       1.49149617       2.95866759
Cl       5.78524005       7.73709005       3.85569998       0.01706323      -1.47627289       3.25221981
Cl       1.42469005       1.65754004       9.47558997      -0.76673610       0.98902778       0.99794447
Cl       4.37261995       4.21002000       0.74705401      -0.58504449      -0.04825496      -0.76158222
Cl      10.53740002       8.52384006       2.86872994      -0.25718246       0.25184417       0.89648125
Cl       1.87675001      12.54750003      12.74579995       1.93463095      -0.68348066       3.55341148
Cl       7.57326005      11.48089996       3.35458002      -0.43102747      -0.11159959       0.68176496
Cl       0.86976994       2.77498004       5.08955998       0.84963807      -1.19972750       0.06191494
Cl       6.71382002       2.76672994       3.47809997       0.51868803      -0.55580468       0.50986817
Cl       5.36194005       3.97729006       7.63702006      -1.08997196       0.41331014       0.78853315
Cl      11.75779994      12.72020003       6.46111007       0.52097382       0.22797074       0.34118301
Cl       8.29781002       9.11998000      12.02190003      -1.01635217       0.29454653       0.16559833
Cl       5.33171005       9.16441003       1.60995996      -1.02875483       1.17130131      -2.08302875
Cl       3.56454995      12.55200006       4.77431996       0.63462707      -0.22169318       0.19038334
K        9.03926998       2.45729004       1.22849995      -0.22568551       0.29450688      -0.08640922
K        1.11734996      12.44169995       3.70355000      -1.31060787       0.17592645      -0.21597949
K       11.56129996       2.42533000       3.76516003      -0.74779943      -0.62062424       0.79360960
K        4.95204997       5.55179003      11.19949994       0.00691781      -0.93039249       0.22914890
K        9.80949004       2.97818004       8.00369002       0.95182177      -0.07071384       0.31659843
K        7.27760999       1.72905004      10.34599996      -0.37458787      -0.72760193       0.15107332
K        4.41341997      11.86300000       2.07378999       0.17752999       0.32616181      -0.13978870
K       12.44080005       3.91565002      11.04660000       0.41206291       0.46311234       0.18064144
K        2.89088006       8.20861005       4.10758006      -0.24141985       0.14223095      -0.24481093
K        9.01005006       6.90665997      11.10690007       0.61809493      -2.34406811       0.60612138
K        5.02215996       4.98412006       3.31119996      -0.16879773      -0.40884514      -0.00040934
K        3.76722996       0.69587497      11.04769999      -0.95378326       0.83797966      -0.86148328
K       10.96139995      10.25050002       0.89964901       0.37282655       0.35211231      -0.99592614
K        5.99323996       0.37999595       5.78603003       0.90458123       0.38987642      -0.16354988
K        0.97623606       5.18680995       6.12389000      -0.02627189       1.20883803       0.72330018
K       10.14460002      11.21140006       4.81328003      -0.28597991      -0.47066250      -0.41947211
K        8.80455002      10.44740006       8.99346995      -0.45969381      -0.05637263      -0.59240197
K        4.47710006      10.36190000       7.55642996      -1.98005665      -0.00691046       0.63569778
K        7.92196004      11.20919994       0.53843901      -0.27324879       0.81357627       0.92863079
K        6.57871997       7.23114004       7.70645999       0.25348790      -0.44846511       0.11156032
K        2.81695997       8.01183994      12.31259999      -0.61279439      -0.09210681       0.05050100
K       12.43339996      10.75629997       9.06882006      -1.62501666      -0.78884795      -0.89482544
K        9.05808996       6.23317003       3.40999000       0.33559155      -0.46410574      -0.11763671
K        2.04932996       0.25627396       7.21938999      -0.45249667       0.02287391      -0.62285930
Li       7.17356995       3.65729002       6.94638001       1.54639330      -0.16217675      -1.43303964
Li       0.60708597      12.69589995      11.42209994      -1.75243361       0.59086294      -2.82354070
Li       6.75161006       7.62485994       2.08242000       0.83465640      -0.40583667      -1.95844950
Li       5.86374995      11.01049997      10.99480002       0.05488131      -0.44103108       0.60468364
Li       6.62834997       9.42179997       4.84325004       0.02700101      -0.09936314      -3.90082602
Li       0.24253103       5.48574000       1.64795997      -0.50605114      -0.91093526      -2.20177870
60
Lattice="12.99310009 0.0 0.0 0.0 12.99310009 0.0 0.0 0.0 12.99310009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-555.10817071 stress="-0.004789313756287711 0.00203846318664245 1.0391675788956813e-06 0.00203846318664245 -0.009403934631424627 -0.0006604192360962455 1.0391675788956813e-06 -0.0006604192360962455 -0.008340613810309821" free_energy=-555.10817071 pbc="T T T" config_type=melt 
Cl       9.20404003      12.22909996      11.48970005       1.54578391      -0.41836127      -0.91313735
Cl       2.38426999       7.00698996       7.48949003      -0.41306156      -0.19935036      -0.01071997
Cl       0.01239997      10.92140004       6.94752002       0.25818650       0.13335663       0.85773840
Cl       8.12114998       6.41994000       9.53400994      -0.80985570       3.33551642      -1.46220550
Cl       5.76579003       3.34516002      11.65410006       0.05897740      -0.29424958      -0.33300908
Cl       2.99056000       1.31810999       3.82480005      -0.40735138       0.03104598       0.50152519
Cl       7.23649995       3.57829002       5.43682994      -0.42846117      -0.36574230      -0.28810720
Cl       9.63422000       2.64214002       8.89344998      -0.49267979       0.46136064       0.35979682
Cl       7.69515002       0.97097502       1.00427997      -0.30590458       0.00557906       0.65194121
Cl       6.08208003      10.48170002       4.33722999      -0.59480499       0.34210160       0.58063090
Cl       5.59528002      10.33299997      11.68439997       3.85420337      -2.21209603      -1.39119539
Cl      11.56790006       1.66761996       2.60620006      -0.19819752      -0.19830105       0.14330334
Cl      11.39160007       9.28763997      10.66589996       0.25394746      -0.06742928       0.46040801
Cl       6.69268999       6.59971006       0.35118505       1.11108809       0.93700126       0.64593485
Cl       8.78585996      10.41070001       2.86911999       0.80054965      -0.77612652       0.24100871
Cl       3.44316996      12.62554205      12.88809999      -1.32599233       3.64358936       1.18974947
Cl      11.61710000       4.79277003       6.82526002       1.24647175      -0.30260373       1.05790170
Cl      11.78460003       3.80583000      12.39480005       1.04564763       1.41492130      -0.19019284
Cl      12.68129999      12.84494107      12.39030002       0.33005749      -0.25090061      -0.15391939
Cl       3.03350999       3.96500002       9.36853995       0.36911993       1.42130308      -0.15470053
Cl       2.60001002       9.29041998      10.51319998      -0.52453240       0.18801273       0.42236296
Cl       3.01781004       6.27699004       2.62972004       1.16358431      -0.65429261      -1.90777525
Cl       8.89140005       8.76870998       7.59881995       0.27281110       2.13894789       2.89519894
Cl       9.65452003       5.41920000       4.90052999      -0.37117499       0.09901148      -1.32104238
Cl      12.30190004       7.59405005       3.34402001      -1.62964305       0.60820934      -1.10204561
Cl       9.45860007       0.22232896       5.70027999      -0.12937788       0.06471699      -0.12407992
Cl       1.74464994      10.27470006       3.12183995       0.18512906       0.01230813       0.05888274
Cl       5.19924994      12.54679997       7.50652996       0.55061619       0.05637433       0.03703315
Cl       5.20293998       7.11701995       5.39499996       0.51597983      -0.20145565      -0.51928790
Cl       1.51413000       1.68570999       7.76809003      -0.72472668      -0.17861507      -0.30104626
K        3.34774006      11.46800002       5.34383001      -0.31032319       0.28301312       0.19683935
K        8.35894996       9.63635997      10.32329997       0.19441378      -0.33607096       0.19715240
K        9.84299002       2.07898995      12.45749995      -0.30827239      -0.93580353       0.20606167
K        6.75841000      12.91875110      11.33550002      -2.00676204       1.09665199       0.20667624
K        8.75576001       7.93397996       5.40070003      -0.60707753      -0.63948870      -3.59423872
K        1.44471995       1.46766005       1.39601999      -0.43419371      -0.02190903      -0.21060051
K       10.34230004      11.95689997       1.08914999      -0.08063216       0.72204490       0.05119030
K        8.28203003       4.32297006      10.55710002       0.41731815      -2.94505343       2.59763648
K        2.14901003       6.54310003      12.74742512      -0.21499548      -0.24742542      -0.16376835
K        5.62039997       0.55355895       3.35515003       0.72314352      -0.06446694      -0.50128483
K        1.62155994       7.25482996       4.53278004       0.20951220       0.55629703       1.92440963
K        2.35175995       1.72206001      10.67350001      -0.21120756      -0.75872396       0.36877579
K        5.37738001       8.94351005       7.63432996      -0.15567235       0.14525206       0.14249639
K        9.87732000       7.32123003       1.08614001       0.19632767      -0.00947248       0.12386349
K        5.48300001       6.26230004      11.12710005      -0.97657327      -0.19483735      -1.74820834
K       10.22289995       0.15918198       8.52045003       0.72184182      -1.91215264       0.17518214
K        6.48185004       2.55427002       7.84318002      -0.24884573      -1.02015375       1.00754007
K        0.34967901       9.82488998       0.63850394       0.00882410       0.31793405      -0.58129329
K        6.74474996       5.80239003       2.84904994      -0.23273780      -0.94683836       1.70260133
K       12.74579995       1.29894997       5.22965002       0.39639520       0.13022538       0.33724635
K       12.10430006       7.69798004       8.24964005       0.00451220       0.17073683      -0.11080514
K        4.38396994       4.46428003       6.70044999      -0.74852312       0.57544957      -0.26977502
K        4.97101002       8.59421004       2.33865004      -0.12479109       0.26484273       0.09371562
K       11.87500004      10.70359996       4.38539996      -0.30535273      -0.28835624      -0.37257522
Li       9.29579002       3.35861996       4.55581005       0.06913842      -0.63290224      -0.80166771
Li       0.83831495      11.12850005       9.36810001      -0.01925368      -0.58202658      -0.02657569
Li       4.06238006      11.00769996      12.36049996      -2.29762097      -1.99682592      -0.13841761
Li       7.75033002      11.61030006       5.39268004       0.21142455      -0.04055405      -0.17362605
Li       0.47738599       4.41197994       8.05717001       0.75884802      -0.51401351       0.04361632
Li       9.64589002       3.70900996       7.10424006       0.16474555       1.05079529      -0.61311890
60
Lattice="12.99310009 0.0 0.0 0.0 12.99310009 0.0 0.0 0.0 12.99310009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-557.99406048 stress="-0.010040115160317288 0.0007669806711986695 0.003941951035864223 0.0007669806711986695 -0.008909859640113905 9.146101503268173e-06 0.003941951035864223 9.146101503268173e-06 -0.013786747105928062" free_energy=-557.99406048 pbc="T T T" config_type=melt 
Cl      12.96200007       9.89320003       9.94317994       0.27199797      -0.39003802      -0.06797606
Cl       7.45719997       2.37756997      10.79520001      -0.91272726       0.57171880       0.22976401
Cl       2.81114998      12.76570005       8.23362995       0.24184246       0.41597619      -0.33896351
Cl      11.04730007       4.82802005      11.22529995       0.47476606      -0.34159141       0.14363331
Cl       4.28534997       9.06858995       7.24091994      -0.77141227      -0.35117498       1.86534420
Cl       7.82159003       2.41521994       7.26466002       0.69450401      -1.76245924      -0.07739995
Cl       4.05242994       3.53216997       7.84486002      -0.43042543      -0.15711783       0.07474029
Cl       9.51957006       0.43634897       4.86518005      -0.31115381       0.27592376      -0.46956858
Cl       4.16283998       1.20517006       4.84070001      -0.24291042      -0.29863700      -2.21748399
Cl       2.70974000       7.97981000       2.21981996      -4.27583144      -0.33631007       5.27197167
Cl       5.32290995      10.52809994       2.16178004       0.92256977      -0.53210117       1.25597723
Cl       9.56837006       4.96641995       5.10119998       0.03736973      -1.42134704       2.22278588
Cl       6.32915006       6.67602997       9.61437005       0.55532838      -0.28668946       0.06213528
Cl       8.11027995       3.68207994       1.62791006      -1.63863627      -2.47790541      -1.16595551
Cl      11.75449995       1.12938001      10.25850000      -0.06635658       0.88319957       0.83903774
Cl       8.39582996       0.06737507      12.96929998       0.30673902      -0.29183044       0.26288135
Cl      11.54029999       7.24306004       4.24342994       0.26917773       1.57157065      -1.35156393
Cl      12.66929995      12.78549997       0.81654995       0.34256727      -0.68218659       0.03421462
Cl      12.24239995       2.67439006       6.42782005      -0.28270515      -1.04490139      -0.68580815
Cl       2.13420998       2.70969998      11.29120004      -0.38938281       0.23818114      -0.75623127
Cl       3.05307006       6.80134998      10.34120005      -0.17325381       0.07658339       0.32459760
Cl       6.55947004       7.05528999       0.63599900      -0.44446540       0.15278818       0.35934784
Cl      11.61550003      10.60010004       5.90995004       0.28230188       0.74060388      -0.19397388
Cl       1.89813003       2.24309995       2.03490995       0.17348045      -0.17402295       0.02614102
Cl       0.36418997       6.42456996       7.81414005      -0.91008285      -0.44240679      -1.71463634
Cl       6.77970997       7.52344997       5.65623000       0.06792384      -0.45081912      -0.79336198
Cl       9.71128000       9.05777995       0.05833889       0.42989404      -0.18746798       0.18475412
Cl       4.55138006      11.40400003      12.41420005      -0.65842100       0.65662525      -1.24527389
Cl       9.17963002      12.06419998       9.12266996      -0.00063614      -0.92507045      -0.19278271
Cl       8.14910996      10.74019996       6.26683996      -1.75574745      -1.56860667      -0.90134735
K        3.39821995      12.14190001       2.87223002      -1.67006605       1.01153818      -0.50760047
K        4.24772000       4.07043006      11.02120005       1.85835337       1.77961960      -0.55040527
K        6.46590998       0.13430500       4.20600994       1.99732096      -0.49895276      -0.05161324
K       12.88600004      12.67530004       8.29806000       0.05192710      -0.91208007      -0.91341831
K        6.63862998       4.72308998       7.16174999       0.00540319       1.61643436       0.10409880
K        0.17502394       6.63390998      10.36539995      -0.10780720       0.48570179       1.56085203
K        4.77559003       9.86818000       4.90510006       0.72038201      -0.10609774      -1.05597282
K        0.39688399       3.29458997       8.80549994       0.21609353       0.45227803       0.90451070
K        2.91002006       6.29192002       6.93952004       1.04444696       0.36661105       0.30631878
K        5.54344002       5.47197004       2.92393996       0.15080987       0.13578840       0.01877119
K        5.82169999       1.55259997       0.27813394       0.38895477      -0.15642450      -0.07670647
K        9.50019994       8.98511006       3.55650995      -0.82462556       0.72377227       0.23767241
K       11.23190006      11.53560000      11.34449995      -0.84369665      -0.05302893       0.60736958
K        6.92509003       9.38162998       8.78363996      -0.03591630      -0.03937105      -0.43144538
K        7.14175998      10.42889996       0.14567604       0.40390409      -0.29685660      -0.52224803
K       10.83359995       1.87640998       0.23612907      -0.68084943       0.67705474      -0.28686564
K        5.36511998       0.82712997       9.31980998       0.22428848       0.02659179      -0.08237239
K       12.18350002       0.09558478       4.17311999       0.62528750      -0.03266609      -0.27177165
K       12.50060001       4.90973002       4.72348003       0.81721878      -1.00898847       0.17674637
K        9.15674995       5.57700003       2.71337001       0.91569735       2.91557400      -0.83156180
K       12.43199995       9.04423997       1.01787998       0.46489515       0.00912963       0.12986390
K        2.97617001      10.06510005       9.73696996      -0.00710792      -0.24446215       0.16817505
K       10.77599998       8.05031004       6.85070999      -0.11141049      -0.21626056       0.58282191
K        8.73214999       6.35429002      11.57129997      -0.69891546       0.01257875       0.01346792
Li       8.80060999       0.99067295       9.83144006       0.31652778       0.87737515       0.10089084
Li       1.10105999       1.28990002      12.14300001      -1.20701519      -1.48785974       1.34507626
Li      10.04480002       2.47694003       5.57987995      -0.61655054       0.70204520       0.61171312
Li       3.75593000       8.03918002       0.87224695       4.68760117       0.41735511      -5.45602562
Li       9.37676004      12.19440006       6.78209005       1.05664146       0.94824185       0.46812179
Li       3.68604998       1.71819002       6.59396997      -0.94810723       0.43487195       2.71653738
60
Lattice="12.99310009 0.0 0.0 0.0 12.99310009 0.0 0.0 0.0 12.99310009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-559.49963585 stress="-0.011342426455409178 0.0019427179061231252 0.0028942744575092983 0.0019427179061231252 -0.00504533548614867 -0.0025272116428575963 0.0028942744575092983 -0.0025272116428575963 -0.003047857418841697" free_energy=-559.49963585 pbc="T T T" config_type=melt 
Cl       7.72678003       5.38488002      10.15969995       0.18768587       0.05105233       0.03928602
Cl       6.43722004      12.47160006       0.64027204       0.56651993       0.02574079       0.15162916
Cl      11.64609995       3.45304004       3.82947003      -0.69783340       1.92691387      -0.40456168
Cl      10.41919996       6.87473995       7.80539998      -1.34171710       1.98566831       1.33232359
Cl       6.79181006       7.43978999       6.97081002      -1.05061476       0.77603333      -0.47461700
Cl       1.00068998      10.41859994       9.57040998      -2.12906538      -0.34678517       1.04937881
Cl       4.56319000       6.92705004      11.76550004      -0.25839979      -0.57166339       0.76479078
Cl       0.99920799       4.15882004      12.12099996       1.12942687       0.31277899      -0.61474608
Cl       3.48724997      11.92389996       8.26590000       0.81628512       0.35188834      -0.83220389
Cl       1.42582006       6.37997998       7.02080007       1.26758149      -0.17358172       0.53541250
Cl       1.16741003       9.64832999       1.71661005       0.05902312       0.23738422       0.25084126
Cl      10.96619999       3.31320999      12.18979999      -0.94235901      -0.55877579       0.84358684
Cl       4.02931002       1.42979997      10.97770006      -0.48034623       0.60368772       0.15028945
Cl       6.61011000       6.12255003       2.54951000      -0.65980476      -0.00701204      -0.03514095
Cl       4.16162006       3.69714999       7.59572006       0.34710144      -0.13402255      -0.46319626
Cl       4.14812997      10.18329997      11.72110002       0.21240590       0.20974633      -0.21982292
Cl       2.45141001       2.23584006       1.67012997       0.00450915      -0.31594199       0.85287381
Cl      11.41120003       2.54406004       8.61017999       0.29300140       0.19412957       0.12246968
Cl      11.37240003      12.52090004      12.01339994      -0.39164777      -0.21948722      -1.38411417
Cl       8.50701998       0.25188905       9.96821998       0.35282932      -0.10106252      -0.19557043
Cl       8.65718007       2.75212999       5.32464999      -0.97459394       0.62162843      -0.41883666
Cl       8.94191996       9.29858003       2.88534006      -5.85046687      -2.95611632      -4.83414319
Cl       8.03120005       9.75604006       9.86562997       0.07164910      -0.49409257      -0.08089993
Cl       4.57635994      10.75360000       3.56999003       0.00308422       0.06750830       0.03819849
Cl       9.64468997      10.74760005       5.82563001       0.29327491      -0.07870276       1.26149683
Cl      10.93710000       8.52432003      12.90960006       1.01987866      -2.01898702       0.12732844
Cl       1.21190997       6.20597002       1.99661994       0.40328822      -1.01654009      -0.16316280
Cl       0.03009995       0.21267002       6.17831004       0.40986810      -0.05580669       0.61375247
Cl      10.99769995      12.32719994       3.27647005       0.16860151       0.42564003      -0.66967343
Cl      12.73330007       8.13533000       4.97861995      -0.43609892      -0.08457309      -1.11355034
K        9.42459998      10.57109996      12.60150001      -1.24103205       1.01908953      -0.02993918
K        4.22032002       4.44093000       0.83133194      -0.06946458       0.41956582      -0.59894339
K        6.90583997       2.53499995       9.57294000      -0.58147488       0.62744074      -0.25072849
K        1.98075003       8.56068005      12.17399999      -0.62164824      -0.57291873      -0.01002933
K        7.92306004       5.81475999       5.18930996       0.61330468      -1.02439551      -0.53224174
K        1.76230003       4.47371003       4.36800999      -0.24707486       0.22969964       0.33538649
K        3.50609997      12.14250004       0.71626803      -0.09602623       0.10461826       0.26591905
K        1.25524001       0.40364897       9.42114005       0.01140958       0.17046606      -0.15524633
K        0.20602795      10.29719995       6.80364002      -0.00327131       0.14935455      -0.87376923
K        7.02798005       9.90030999       5.17249000      -0.36130134       0.01051576      -0.00379368
K        5.04019997       6.64027998       9.02280005      -0.02015382      -0.43273425      -0.02191985
K        9.99892996       0.68428395       6.47662006       0.49622692      -0.37404395       0.10946362
K        2.11656002       3.97994001       9.59306995       0.21382211       0.04180435      -0.44056953
K        8.90536998       5.59226003       1.00629001       0.48288264       0.18205753      -0.48735516
K        8.98801999       0.91911397       1.73130005       0.00036573      -0.13095998       0.13334025
K        5.76272002      12.22120002      10.56939994       0.36312300      -0.44092325      -0.27809165
K        4.47103995       1.04550994       4.65460998       0.09361079      -0.35480394       0.22104774
K       10.80759998      10.17549995       8.99547998      -0.35671603      -0.00228344       0.18433469
K        0.24786703       1.52543997       3.67635999       0.80540465      -2.16426250       0.16845535
K       11.90990003       5.46531004       6.53686997       1.18100597      -2.17379511      -2.00041828
K        2.83988006       7.96245005       3.63937994      -0.04786449       0.74742360       0.21864560
K       12.85270003       0.99329794       0.52228897       0.64489873       0.33862022       0.57791633
K       10.79770001       5.52006998      10.33459994      -0.03568422      -0.01110706       0.09621204
K        6.32009998       9.11945001       0.89980297      -0.28509998       0.05352056      -0.10144116
Li       8.46059004       7.54834994       8.18510995      -0.13063001       0.46661760       1.35636387
Li      12.64248414       3.81785004       0.56824297      -0.58188248       0.65809737       0.94374438
Li      10.45930005       1.27199994      10.17939996       0.13691385       0.04629102       0.55524474
Li       2.79478997      10.02380005       8.84038005       1.55283224      -0.27312814       0.01381928
Li      10.16799994       9.86413005       3.88697996       5.91816566       2.93909162       4.24161874
Li      12.72800005       7.73399003       2.31669002      -0.22770843       1.09443201       0.13355643
60
Lattice="12.99310009 0.0 0.0 0.0 12.99310009 0.0 0.0 0.0 12.99310009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-555.98685361 stress="-0.008418519078917271 -0.004695745919849587 0.003371855786600179 -0.004695745919849587 -0.011387321586861095 0.003375538651474997 0.003371855786600179 0.003375538651474997 -0.014624950436675353" free_energy=-555.98685361 pbc="T T T" config_type=melt 
Cl       6.53576998      10.49730006       7.36305002       0.01428450      -0.38495729      -0.06863662
Cl       7.22931996       9.58220005       2.65227996       0.42142703       0.47263186      -0.24195930
Cl      10.43059998       5.63751006       7.81322001      -0.55513001       0.20779518      -0.06261922
Cl       9.54368005      12.21540003       5.10773005      -1.14030398       0.16252527      -1.04006473
Cl      10.80690004       0.29202798       8.68265005       0.05873716       0.60061232       0.86111549
Cl       2.81987003       7.00107004       1.08247999       0.76107693       1.11606818      -2.91205448
Cl       9.27362003      10.86469997      11.55420001      -0.78779561      -0.78601845       0.64920627
Cl       5.88076000       0.91839805       8.16222000      -0.29896294       0.81640864       0.01914462
Cl       2.26335997       9.02059006       5.73819996      -0.06773908      -0.44168711      -0.13589273
Cl      12.23239995       5.99435997       5.04822997      -0.04656296       0.85125914      -1.09803260
Cl       6.73475996       0.60033502      12.50049996      -0.55898333      -0.33099804       0.09288140
Cl       2.47075999       3.40286004      10.29020005       0.35801003       0.38179147      -1.59470910
Cl       6.92378007       4.77526001       6.00727004      -0.44839864      -0.18547398       0.65844164
Cl      11.49880003      12.49930005       1.18264003       3.48055329       1.61006657       0.13194281
Cl      12.18169996       8.48040998      10.89140002      -0.04670756      -0.22722848      -0.31167188
Cl       1.72564000      12.21299995       9.85531995      -1.39259716       0.42471587      -0.20620475
Cl       1.74743995       3.49783999       1.35335000       0.15943203      -0.33557958      -0.22062402
Cl       8.92927000       6.47846001       1.11102998       0.13699838      -0.22358847      -0.40288174
Cl       2.65993004       5.00857996       6.21250996      -0.22376949       0.82349386       0.43342279
Cl       6.10722999       6.75904003       3.42122995      -6.73629679      -3.60556546       6.59449915
Cl       3.08112996       2.45626995       4.57071002       0.33750097       0.03464936      -1.56708558
Cl      12.36239994      11.37100003       5.88364005       0.75501209      -0.25006892       0.29349399
Cl       5.76188002       7.15915995      10.19780001       0.31017038      -1.44462769      -3.64673257
Cl      10.88250000       3.13827998      11.33429998      -0.79713471       0.11639173       0.99449507
Cl       3.04790999      12.87910006       2.70572994      -1.15052768      -0.27762839      -0.88602952
Cl      10.76549999       3.19127000       3.51622003       0.45418008      -1.09995021      -0.23936533
Cl       6.83825000       1.97108005       3.86136004      -0.33009751       0.14982596      -0.42785932
Cl       0.49209405       1.85441994       6.97054003       0.06750310       3.31613881      -1.92815275
Cl       6.56239999       4.08882998      12.77590002      -0.74285484       0.30800179      -0.52425819
Cl       3.89942995      10.03909994      12.45059996      -1.16461628      -1.05007365      -1.02577087
K       12.16649998       3.80253001       9.07702000       0.67724996      -0.37049649      -0.50225477
K        3.67213996       4.63688999      12.32990004      -0.03471856       1.03146461       0.75870654
K        8.59839006       2.15580997       6.34806996      -0.07151201      -0.33379484      -0.18814429
K        4.24277002      12.02490001      10.64420005       1.31225905       0.64616635      -0.76529820
K        9.40650995       0.90981598       1.73364999      -1.77001057       1.49977649       0.53805568
K        4.69201997       7.28795003       6.42028003       0.40396010       0.43748002      -0.02705901
K        9.61554996       8.61889005       5.06758995      -0.49125725       0.70698292       0.22195056
K        4.93303002      11.48350000       1.19965995       1.82872397       0.79529262       1.42373139
K        1.20504000       1.66095996      11.80790003      -0.95420173      -0.66970373       0.82186535
K       10.00809997      10.69460003       1.83823002      -2.27272302      -2.58754629       0.57191152
K        0.22337595       1.33532000       3.42166002       0.08746001       0.14278450       0.04564767
K        1.07782001      10.61659998       3.54482005       0.20159169      -0.05545714       0.21303879
K        4.71605006       2.35527004       1.08658996       0.09562799      -0.63161971       0.96328353
K        5.43186996       7.72933005      12.47469995       0.23676662       0.56235749       3.97828178
K        9.51923003       6.78736005      10.38949995       0.10518823       0.56941250       0.26998635
K        7.55499007      12.06370000       9.70504007       0.16326346       0.09686237      -0.26048627
K        2.20014996       6.10564003       3.26195000      -0.61637593      -0.91730330       2.30764125
K        4.98374001      12.79580000       4.58705001       0.87830168      -0.23749998       1.22912087
K       11.70390001      11.84599996      11.59849998       1.07032239      -0.11813304      -1.64278593
K        5.83345004       3.88224995       9.46069001       0.11834217      -0.05052051      -0.14803917
K        9.55646994       5.34147995       4.52140004      -1.08243828       0.14999730      -0.07866898
K        3.18774004       2.24367997       7.15781997       0.69781391      -0.27450714       1.76502204
K        2.06467000       8.31225003      11.09990003      -0.20660689      -0.05990149       0.02231682
K       12.86130003       7.20079998       7.38036995       0.72961037       0.97677730       0.69325876
Li       0.04291764       0.30519987       7.86162996      -0.92243500      -3.51626992       1.69469468
Li       7.17794005       7.25839995       2.30615001       6.18295224       3.23071929      -6.30029662
Li       8.59329000       4.43290000      12.57690004       1.25869444       0.09257677       0.53744804
Li      10.50129999      12.14700007       6.98730996       0.25072770      -0.65601764      -0.63652872
Li       0.58616604       4.45868000       5.31490997       0.67766657      -1.12477987       0.33881616
Li       4.98583996       3.80253001       4.77455994       0.61934930      -0.08402974      -0.03325372
60
Lattice="12.99310009 0.0 0.0 0.0 12.99310009 0.0 0.0 0.0 12.99310009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-560.49296276 stress="-0.0058682381629719515 -0.004717232208909786 -0.002562579553775998 -0.004717232208909786 -0.005645445441267045 -0.004675750190549778 -0.002562579553775998 -0.004675750190549778 -0.01149008369676992" free_energy=-560.49296276 pbc="T T T" config_type=melt 
Cl      12.00179996       9.46250995       4.74817004      -0.21034450      -0.64592503      -1.20030118
Cl       6.44938002       2.61870995      10.16389997       0.41302377       0.41399383      -1.41589800
Cl       0.51005597       4.70753997       0.28839706       0.34091716      -0.14367167      -0.96863907
Cl       9.29008995       5.88783006       9.89234002       0.35041476       0.15408959      -1.23476011
Cl      11.65980000       8.10951999       0.88392801       1.66385942      -0.87057541      -0.85813830
Cl      11.50660005      10.32049996       9.18620999      -0.42913441      -0.78333134      -2.34839536
Cl       8.70482005       9.55194003      12.67230006      -0.59403107      -0.36794071      -0.91139807
Cl       8.16989996       1.22829999       3.91378005      -0.07989829      -0.23389506       0.38668549
Cl       3.51691997       0.82501105       9.02270001      -2.86599187      -3.84395839      -3.11844678
Cl      11.10380004      12.29740001       1.12691002      -0.33695239      -0.19751106       0.15156749
Cl       5.53827006       8.49625000      10.95729998      -0.21619318       0.12947994       0.09923204
Cl       4.19362999       9.57749005       1.83214002      -0.30180525       0.53636623      -0.00169103
Cl       8.29139000      12.59729999       8.91130003       0.15527665      -0.18052859      -0.33064480
Cl       3.42557003       4.42177999       9.41568996       3.40851520      -0.36389844       1.10721683
Cl       3.71138003       3.05201996       4.83707000      -0.36832506      -0.51851109       0.20599495
Cl      12.42390005       1.57092999       9.26203005       0.97909588       0.23153420      -0.78598461
Cl       1.19579996      11.00489994      11.11070003       0.12166006      -1.22942538       0.73662749
Cl       6.83726005       6.75245006       7.04769994      -0.10384145       0.13234499       0.20818646
Cl       7.59057999      10.31670000       4.40583005       1.08194857       0.87606811      -0.12321365
Cl       3.71682999       6.68552000       4.28247005      -0.94529122      -0.64792084      -0.26695634
Cl       2.93506998      10.44389998       6.52629996      -0.14144466      -0.15668468       0.10610406
Cl      11.53579996       0.42048504       5.89669006       1.31842567       1.17561006      -0.08211875
Cl       5.34805004       0.42825999      12.67149994      -0.11135603       0.41278167       0.22100384
Cl       0.87534398       1.12723004       0.10213200       0.34403776       0.07323973       0.21152608
Cl      11.73920006       4.84247994       5.99862002       0.38645736       0.11137300       0.10696969
Cl       6.31462001       4.70391996       0.46645398      -0.05522566      -0.23375791      -0.26341802
Cl       1.53717001       6.48668997       8.36077003      -0.76060109       0.68734507       2.11147694
Cl       9.99757997       3.27670003      12.43199995      -0.20187722       0.60447656       0.65368546
Cl       8.74078001       6.28032004       2.71330998      -0.59535984      -0.19893505      -0.98516246
Cl      10.91500003       3.31808994       2.76165003       0.55821545      -0.42968430       0.30237791
K        3.96405997      10.69180001      12.16330004       0.13081587       0.48398189      -0.22244124
K       11.21580004      10.54279995      11.60699994       0.14886626       0.44282760       2.80218486
K       12.70850001      10.94699996       6.80748000       1.40985938       0.49312867       0.71135348
K        7.37814995      11.72950006       0.98723407      -0.06807862       0.39539207       0.47296247
K       12.69190002       6.77927003      11.02189998      -0.24588106       0.25560069       0.12216694
K        5.79712003       8.45439000       4.03600004      -0.24782844      -0.66379693       0.22830772
K        8.48125999       9.42788996       9.64444999      -0.29224364       0.00598605      -0.25762160
K        4.56265001       4.87378006       7.02258999       0.48393673       0.06959890      -1.23346396
K        3.18869997       2.30561002       2.00926001       0.06264813      -0.14544563      -0.47328895
K        1.04470995       4.17423999       9.56751005      -3.31085044      -1.64390842       0.94488684
K       10.45150003       1.04525995      11.01780001      -0.59555916      -1.06930489       0.09053956
K        5.59399994       0.27058001       6.21963005      -0.03469289      -0.10534410       0.08417345
K        9.52994999       3.51795006       7.73717997       0.00095362       0.10623781       0.16986049
K        1.32469996       6.87560997       5.96827996      -0.67959468       0.75639108      -2.70090983
K        9.35062000       6.22746996      12.50540005      -0.18017248       0.22242904       1.59005293
K       10.01930002       7.29638995       4.78293997       0.16028165      -0.04293564       1.25001730
K        6.28126997       5.83814003      10.27729998       0.19205213      -0.66820698      -0.13090744
K        4.09380998       6.91430004       1.00879001       0.37402623      -0.59991378      -0.14342991
K        3.67032002       8.17444001       8.64549004       0.70084939       0.89975563      -0.20778869
K        9.91066003       9.58626000       2.10128001      -0.68505587       0.77073512       1.57252441
K        0.62029502       6.00526001       2.62181998      -0.46180223       0.29843737       0.72904240
K        0.61848404      10.70680003       2.03355997      -0.07234577       0.15401930      -0.11652434
K        9.58404000      11.76660004       5.94474998      -1.69881195      -1.13090070       0.41852694
K        0.69557197       2.26887995       6.43195004       0.23934541       0.20334861       0.00087883
Li       8.87230007       4.05157006       2.05576999       0.01076844      -0.08889944      -0.04048045
Li       1.55133003      12.71070000      10.05890000       0.12613270       1.41241087      -0.56173967
Li      12.16919995       2.50079003       0.80256002      -0.30563006       0.26930599      -0.03647725
Li       4.32435006       2.01945999      10.03669999       2.31461072       3.64267142       2.98455772
Li       6.52686996       2.64947995      12.19219994       0.00340011      -0.06628020       1.34039234
Li      10.39640006       1.28086994       4.28889994      -0.28417397       0.85013061      -1.10084353
60
Lattice="12.99310009 0.0 0.0 0.0 12.99310009 0.0 0.0 0.0 12.99310009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-558.77288788 stress="-0.014772896116897328 0.004442143236646585 0.0015538269549564008 0.004442143236646585 -0.005275931773226884 -0.004216129322013884 0.0015538269549564008 -0.004216129322013884 -0.01055896639632204" free_energy=-558.77288788 pbc="T T T" config_type=melt 
Cl      11.20729996       2.42956004       6.57994002      -0.12973794      -0.10345491      -0.66822297
Cl       1.90393002       9.99399998       8.94049994       1.28940769      -0.82437183      -1.60645439
Cl       1.26353000       0.68414597       9.37226001       0.83649781      -0.93101172      -0.67219514
Cl      12.80590005       9.75586998       3.44144994       0.68077866       0.03854656       1.77558496
Cl       5.24498006       1.00843997       2.03165999       0.61991173      -0.86520861      -0.21782340
Cl       4.02631004      10.33650005       0.89578200      -1.66359138      -0.24634917      -0.48014905
Cl       5.51593999       6.28261995       8.14879995       1.12085834      -0.08932303       0.84010674
Cl      12.72309996       3.20353003      10.00339997      -0.47259815       0.71650733       0.12972402
Cl       1.71865998       2.93563999       0.14253600       0.02253543       0.24014999       0.25925765
Cl       7.85336998       8.27207004       0.88737702      -0.08641330      -0.25749347       0.05683583
Cl       4.82857005       4.66316996       0.56837199       0.70855162       0.38875912       1.11330078
Cl       5.84109999       5.68062000       4.47078996      -0.08314236       0.17803331      -0.54612607
Cl       1.96028005       7.06814004      11.88179998      -0.36743548       0.29203820       0.18374928
Cl       0.79602903       7.02128003       6.79548996       0.93368586      -0.11063498      -1.29447780
Cl       8.97974001       5.98326997       5.58153995       0.83704980       0.17994094      -0.23033413
Cl       8.89128000      12.25789994      10.46280000      -0.64751636      -0.08898812      -0.34924691
Cl       4.99716994      10.95839998       5.68566002      -0.85567060       1.24675802       1.93009683
Cl       1.23345006       1.22961996       3.49357994       0.72326670      -0.30013131       0.72076596
Cl       9.47909005       9.77141999       7.24653998       0.09781009       0.05142955      -0.39573660
Cl       0.09710588      12.68149995      12.30570000       1.98931456       0.27361113       0.26722065
Cl       4.10207995       3.78458004       6.72162003      -3.13618304       0.09940084      -1.09674134
Cl      12.21609997       5.41170999       2.24620998       1.00366385       0.32326287       0.40711862
Cl      10.23399995       6.15294998      10.95749994       0.05747670       1.04876339      -0.69532130
Cl       9.22656006       3.71773002       1.03743005      -0.32531631      -1.82318200      -1.10704445
Cl       6.17194005       3.20581006      10.07620005      -0.59683726      -0.29926670      -0.54089831
Cl       6.71275003       2.43523997       6.56466001       1.85752547      -1.36683631      -1.24340748
Cl      12.21309999       9.91615001      10.47659997      -1.49223859      -0.69584800       0.94209057
Cl       4.83665007      12.41530005      10.82669996      -0.40622742       0.02527663       0.25813105
Cl       9.33792002      12.05130004       2.20578000      -0.36160073       0.07528487       0.46407718
Cl       4.21507003       8.38910006       3.55761995      -0.58146731       0.08657513       0.19847167
K        3.59090996      11.55939998       3.40012006      -0.72637299       0.34624052      -0.43647105
K        3.29457996       4.66980995      11.32709998      -0.09988015      -0.33344188      -1.10706603
K       12.88699999      11.23270004       5.72400994      -0.07979021       0.57754669       0.72870732
K        6.25041006      11.47069998       9.12083001       2.38277690      -1.21196959      -2.61734049
K        6.79795995       2.24893996      12.57229996       0.30843245      -0.38258290       0.88124651
K       11.74780006       7.21060002       4.94387004      -0.75369893       0.14113021      -0.41371291
K        6.89342000       9.69807005       4.53757995       1.61086021      -1.21253753      -0.71032207
K        3.76381005       9.28552002      10.94190004      -0.16677749      -0.18476513       0.48824026
K       10.59609998      12.36849994      12.65860000      -1.29690521      -0.16693113       0.19817673
K        4.19812001       0.68895705       7.36793997      -0.47103869       0.08947322       0.08202073
K       12.08249998       9.07488004       1.18067001      -0.54530868      -0.49983706      -2.46428004
K        6.44396996      10.85240006       0.33923295       2.07560715       0.64667493      -0.18488871
K        4.72239004       3.23903004       3.47023004      -0.04268928       0.13631172       0.56271240
K        7.71438006       5.26163995      11.19920006      -0.51173954       0.29911796       0.38004933
K        3.62350003       0.45056498      12.72509999      -1.91330970       0.73947654       1.92933779
K        8.55451002       1.21224000       4.64292996       0.32991554      -0.01940689      -0.22674968
K        0.85183102       4.23894005       6.82460997      -0.06057858      -1.27604953       0.38776085
K        2.38529995       5.32094007       2.56020995      -0.24603400       0.19599158      -0.45132434
K        9.49710005       9.11727003      10.05450002      -0.24655999       0.05895613       0.16757090
K        9.50348005       5.89126999       2.32125995      -0.96590924       1.57596902       1.00537448
K       12.25560004       2.32422004       1.93802002      -0.45700743       0.02499732      -0.39147869
K       12.35620002       7.52383001       8.83546996      -0.91440874       0.29924201       1.69797709
K       12.43069999       5.32966000      12.24829999       0.78765621      -0.64122334       0.14604533
K        3.58192003       7.38716001       6.56697005       0.31521625       0.42463891      -0.61466464
Li       7.16522006       5.20793998       6.51693999      -0.45248403       0.24229954      -0.30621141
Li       0.75130795      11.20569999      10.07189999       0.03151780       2.00944068       0.56838723
Li       5.67306997       3.46888994       7.87082998       0.19330682       1.01808290       2.27608744
Li       5.29747998       6.97229007       2.36146996       0.70078830      -0.39205891      -0.08794348
Li       1.05275996       1.62038004      11.45509995      -0.83868136       0.03564460      -0.65049068
Li      10.95690005       1.52479006       8.47289997       0.48073852       0.19733170       0.76089734
60
Lattice="12.99310009 0.0 0.0 0.0 12.99310009 0.0 0.0 0.0 12.99310009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-560.21575076 stress="-0.0027637064494106995 -0.0017103550035773934 -7.190606110734232e-05 -0.0017103550035773934 -0.003809318342788291 0.0019367526898817174 -7.190606110734232e-05 0.0019367526898817174 -0.0012719608771862066" free_energy=-560.21575076 pbc="T T T" config_type=melt 
Cl       3.61879003       5.52632005      11.86440001       0.13151613      -0.40879322       0.12717236
Cl       2.98016994       9.88833996       3.79659996      -0.03078129      -1.19770121       0.24620038
Cl      10.13410004       0.75066999       6.90861998       0.58336605      -0.03505203       0.09520712
Cl       0.77102095       2.87714999       8.41247997      -0.41456815      -0.65470507       1.26564169
Cl       6.65605997      11.10229999       2.53175999      -0.02692309       0.39494093       0.51218015
Cl      12.41630000       3.80496998      12.48329996      -0.07332430      -0.33385099       0.27275858
Cl       4.21142001       2.69657994       2.35613005      -0.07092016      -0.43365116      -0.14887084
Cl       7.55290000      10.91729994       7.08927994      -0.50736470      -0.17699265       0.26128446
Cl       3.65589001       9.18822002       9.93543995       0.47993969      -0.12569408      -0.46608748
Cl       3.14296997       5.41983003       7.64864004       0.91104369       0.50486870       0.18182731
Cl      11.95540004      11.51570002       9.27551000      -0.70707918      -0.52721581       1.14718671
Cl       1.53563995       6.10946000       4.67648997       1.51420800       3.64005717      -1.80209037
Cl       1.73886996      12.45389995       6.69644005      -1.29312620      -1.20103337       0.29977589
Cl      12.92409763       8.68555998      11.42439998       0.84244635      -0.34479260       0.28263045
Cl       9.22183005       7.05129994       0.57750198       0.38320774       0.51993244      -0.11713277
Cl       6.90413996       4.08398005       0.06609993       1.46065858      -0.39124527      -1.08090668
Cl       8.68268994       2.30820994       3.45784996       0.19115891      -0.19250591      -0.16667927
Cl       0.73640604       1.40958999       3.05287998      -0.42318996       0.30561208      -0.36100414
Cl      11.38029997       6.79537004       7.91144005      -0.06094865      -0.45080169      -0.54506308
Cl       3.80392001      12.98690004      12.43000005      -0.17053185      -0.31230519      -0.00369198
Cl       9.74732000      10.12759998       4.13641994      -1.49116553       1.79641791       0.17459398
Cl       4.77462997       6.34595001       2.03875006      -0.08401708      -0.18366005       0.26634412
Cl       8.14115000       8.08060995      10.38160001       0.63193930       0.43952706       0.23953329
Cl       7.71016003       5.80023006       5.45701005      -0.33646917       0.22405096       0.45194621
Cl       0.62199997      11.17310004       1.11851999      -0.28602990       0.39341248      -0.20868892
Cl       3.86061995       1.33867001       6.44849000       0.53182925       0.37261936       0.20655365
Cl      11.85239997       5.13137996       3.52899004      -0.70404300      -0.57805710      -0.36994480
Cl       7.59275997       1.62696000       9.18228997      -0.37991855       0.78006516       0.24048379
Cl      12.33540002       9.34757000       5.44798998       0.93041963       0.16348864      -0.00655969
Cl       9.42403998      12.31669996      12.16770002       0.56926320       0.94809089       1.00003357
K        2.72612001       2.51271003      11.91050005      -0.28019366       0.77482838       0.09225351
K        7.92605001       5.09802005      10.14220006       0.00050037      -0.48928573       0.70348190
K       11.03760007       1.28936002       0.90766003       0.11105181      -0.02742084       0.54703334
K        6.36292004       1.72598003       5.62310007       1.45448371       0.46755959      -0.77257518
K        8.68571005       5.19933998       2.70153005      -0.41131692      -0.37715967      -0.32339156
K        6.00173005       8.58217999       1.00503006       0.60422547       0.54280534      -0.30392267
K       12.16589996      12.08590001       4.37212998       0.10636972       0.06616261       0.01770285
K        7.25487999       0.94489696       0.20245901      -0.91832541       0.18790631       0.61838297
K        4.63336002       7.07940999       4.82849001      -0.40228704      -0.19742442       0.04234522
K       10.80860006       1.77849996      10.02089999       0.32459916      -0.13065514      -0.57233478
K        4.54129000       2.98928005       8.52708002      -0.27975656       0.30386725       0.47264808
K        8.44336002      11.91220007       9.76839000      -0.25762888      -0.45131000      -1.36629151
K        1.57740003      10.96249995      10.91690001       0.12961210       0.46394677       0.18424040
K        3.54613002      12.51010004       4.25896995      -0.06585146       0.60202464      -0.54000067
K       10.13160003       4.15864996       5.76218003       0.11450518      -0.46576048       0.22604290
K       10.95630003       7.02844001      10.59799996      -0.55216876      -0.56953149       0.60766508
K        6.16181998       7.36143004       8.74720003      -1.40135033       0.25194613      -0.75615574
K       10.35200004       9.60722996       7.26171995      -0.49051166       0.02286404       0.41241741
K       10.79649997       7.82549004       3.63309998       0.40333399      -1.10534990      -0.52586467
K        2.20263996       7.66033007       1.06606996      -0.05184084       0.10418879       0.26492318
K        1.70540000       6.53441999      10.03799995      -0.12748169       0.09608963      -0.46656355
K        0.93136399       4.21719999       6.01154997      -0.64028975      -2.45075656       1.15348767
K        4.72952001      11.54180004       7.77557003      -0.68104795       0.03218828       0.20472429
K       10.65810007       9.85163004      12.60790002      -0.09079084      -0.30785917       0.60685357
Li       1.19993995       8.62724006       6.01975005       0.76137672      -0.57081742      -0.51664996
Li      12.79803013       4.13996004       1.80264997       0.19534657      -0.14795551       0.01093931
Li       7.76369005      11.30530003       4.95789999       0.54600544      -0.43492056      -1.28431358
Li       5.13788002       4.25991000       1.07349006      -1.13313757       0.37896441       0.61705701
Li      12.66530003      12.66620006       7.75542994       0.57975867       0.99256710      -1.11730956
Li       1.70851003       0.20989989       1.47015005       0.35221465      -0.49672875      -0.23145897
60
Lattice="12.99310009 0.0 0.0 0.0 12.99310009 0.0 0.0 0.0 12.99310009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-559.58374123 stress="-0.015097975907251487 -0.006545861944211439 0.001528663349722997 -0.006545861944211439 -0.011990227244988645 -1.6609891602782276e-05 0.001528663349722997 -1.6609891602782276e-05 -0.005397061926719634" free_energy=-559.58374123 pbc="T T T" config_type=melt 
Cl       4.78638002      11.18629999       3.65070005       1.53032687       1.61642529       0.03842784
Cl       0.17161897       9.39776000       4.43348002      -0.15078878      -1.07856618      -0.04263178
Cl       6.07866999       7.06809001      10.61159997      -0.13476668       0.11183769       1.24874120
Cl      10.90769999      11.43400006       3.20647999      -0.31943845       0.17522859      -0.54148416
Cl       7.98892999       0.22963706      12.64019996      -2.48001471       0.95573679       1.66867141
Cl       9.58598000       7.36016996       2.29469997      -0.62727110       0.12128812      -0.16934513
Cl       6.06966005       3.72870997       2.53939006       0.46564893       0.01546654      -0.40693086
Cl       2.73156997      10.51990000      11.98420003      -1.29235572      -0.88473823      -0.23675108
Cl      10.82559997       6.47854005       8.74072999      -0.08308993       0.26944504       0.23581769
Cl       4.26820999       7.22267997       7.27269002       1.13924788       1.59629435      -0.71592166
Cl       1.48460006      11.52990005       6.06936004       0.52095748       0.46536184       0.82480351
Cl       1.53789997       5.61373997      11.03799999      -0.74518007      -0.00487749      -0.56012860
Cl      12.66760006      12.86720007      12.46770005      -0.34017103       0.73587629      -0.89163037
Cl       8.59288995       1.26458998       7.38395994       0.47713045      -0.20586842       0.32350972
Cl       6.93372005       9.05215004       0.69955098      -2.33042306       0.11381330       0.27328593
Cl       0.80100305       6.54843006       6.03890006       0.06353797      -0.51030113       0.27223156
Cl       8.43158996       4.89060002       5.94367999       0.84049872       0.67583900       0.02286238
Cl      12.01509996      10.46170001       8.48585006       1.04876507       0.10525261      -0.19989924
Cl      11.72860003       4.57018003       0.74756503      -0.77760057      -2.36247979      -1.52143626
Cl       8.31548999       0.91989200       3.89257999      -4.03164950      -0.59901181      -2.98558243
Cl      11.77270004       0.74366099       5.61015998      -0.50040000       0.32096430       0.31606359
Cl       3.63909994       3.42631999       5.24384005      -0.38922735      -0.27780306      -0.08328275
Cl       1.25383000      12.10359999       2.46063005       0.98916495       0.70044743      -1.10388650
Cl       0.78910202       2.61882000       8.40896001       0.37229110       0.90262038       0.42206861
Cl       2.92915994       7.40760998       1.48300997      -0.18956026      -0.14286719       1.31299602
Cl       7.42223995       9.67278002       5.81661995       0.11240718      -0.28060843       0.07747779
Cl       8.19927996       3.78693998      10.87400005       0.36989376       0.26002329       0.11695444
Cl      10.49899995      10.01999996      12.65829999       1.12159861       0.13218450      -0.76355329
Cl       3.27528001       1.03491004      12.70420007       0.75499798       0.41301434       0.09370983
Cl       4.30207001       0.83300103       8.61172007       0.24963182       0.74940521       0.97848733
K        1.27949995       2.95738004      11.82510004      -0.33723941      -0.34455449       0.00253572
K       11.93529998       4.26145995       6.96378998      -0.17030004       0.27617466      -0.73983542
K        2.90876999       5.26061999       8.11050006      -1.09367475      -1.49407530       0.25702850
K        7.30863998       6.46247005       8.38719995       0.41498458      -0.23183729      -1.34315837
K        6.58049002       2.95288001       5.55386997      -0.47163716      -0.59576810       0.11637364
K       12.27280004       6.62833997       2.01481002       1.18018407       2.20814796       1.33378814
K        9.52420002      10.45010003       7.59433006      -1.41174984       0.39491037      -0.62224255
K        7.87285002      11.17860002       3.28413000       0.03463340      -0.63824769      -0.10098926
K        6.03188002       2.20913001      10.81190004      -0.77988543      -0.63318329      -0.19877738
K        9.13782004       2.60986996       1.90231004       0.11969703       0.49522962      -0.67238534
K        8.78596001       5.93552007      12.62639998      -0.18664955       0.47453736       0.20608268
K        5.10588997      11.58959997      11.92660006       1.24751155       0.22871725      -0.08676006
K       12.65849996       8.62026004      10.39229996       0.23830322      -0.80347830       0.83068132
K        1.43908003       1.07716997       5.11996007       0.91478503       1.30555273      -0.35182837
K        6.29467001       7.09154996       3.24801997       0.47562659       0.13143989       0.15440857
K        4.11650996      11.86390004       6.85829004       1.02738621      -0.86405664      -0.58276644
K        3.04038997       9.38168000       3.76950999      -1.53757551      -1.40470175       0.03141814
K        9.86778995      12.47350004      11.29390001       1.90817716      -0.65581391      -1.69547126
K        5.00235003       0.71819997       2.23881002       0.02942436       0.29453487       0.08634760
K       11.32750004       7.88459006       5.90442004      -0.88430827      -0.24013239      -0.10834561
K        3.48994006       7.25072999      11.88979996       0.94360653       0.89752509      -0.71288239
K       12.38689999       0.40971506       8.70539005      -0.30096954      -1.01430802      -0.30078478
K       10.76480006       3.69609001       9.90379006       0.37128504       0.15998769      -0.03627600
K        3.39086000       4.75503001       2.58565005      -0.33063047      -0.13646001       0.26997151
Li      11.61369996      11.66059999       0.98049195       0.09487171      -0.44306842       1.01086504
Li       0.28739997      11.52699999       4.16565000      -1.42476166      -0.22030924       0.28725402
Li       8.83908996       9.16884003       0.47839100       1.31344702      -0.53386786       0.79275353
Li       1.83391995      12.37120004      12.88937409      -0.17562011      -0.43903652       0.51836177
Li       0.88136200       9.73956000       6.98558006      -0.40812875      -0.72093897      -0.32457100
Li       9.63011003       1.20620002       5.04952005       3.53504546       0.45767748       3.97555932
60
Lattice="12.99310009 0.0 0.0 0.0 12.99310009 0.0 0.0 0.0 12.99310009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-556.72280212 stress="-0.011573964061927722 -0.0010309668850212199 0.0031829932441865276 -0.0010309668850212199 -0.005646404705046112 -0.0032368372579363505 0.0031829932441865276 -0.0032368372579363505 -0.0151542971260413" free_energy=-556.72280212 pbc="T T T" config_type=melt 
Cl       4.95837995       5.68630006      11.16239996      -0.18954978      -0.39678489       0.62218854
Cl       7.21484006      11.53079996       9.80703005       0.18500286       1.05851286       1.63216200
Cl       5.89137003       0.37853305       7.40368996      -1.24314367      -0.75649792      -6.27768952
Cl       4.77594006       5.38257998       7.58728000      -0.69734602       0.07016092      -0.03979411
Cl       4.90654996       1.03829006      10.83419997       0.53684050       0.23143982       0.14426101
Cl      11.50919997       1.11974004      11.14180005      -1.18814518       0.70880564      -0.01798342
Cl       1.46845003       2.29243995       1.02085995       1.11696340       0.94028427       1.78493671
Cl      11.39810000       6.38858999       3.25842004       0.13890393       0.08094127      -0.21202555
Cl       7.75781002       7.96637007       4.68248005      -0.28964957       0.38924021      -0.45697810
Cl       8.28969998       1.23246999       3.67074996      -0.30131547      -0.69762008      -0.27584808
Cl      11.01519996      11.71239997       4.99632994       0.42688564       0.07755109      -0.28528922
Cl      12.82200006       6.00156997       7.54544001       0.06137306       0.07033974      -0.05100986
Cl       2.26214004       1.34532001       6.35890998      -0.27002828      -0.33786545      -0.76472343
Cl      12.88689995       6.57137003      11.66040002      -0.88239758      -0.35276837      -0.15474073
Cl       8.30207006       5.73061004       0.18643903      -0.10792234      -0.91909208      -0.70920623
Cl       8.54159994       3.88746006       9.97079002       0.72895333      -0.68443931      -0.66931613
Cl      10.98210004       2.73198003       2.82420999       3.27475783       4.27420677      -2.85801501
Cl       2.14159006       9.89980001       4.92919004      -0.09325650      -0.83356212       0.37357608
Cl       3.44460999       9.01637003       8.12527997       0.53864119       0.83629639      -0.52622402
Cl       2.17291006       9.38428005      12.18279996       0.43081150      -1.16941141      -0.66193946
Cl       1.51933997       0.08756778      11.19940002       0.84793169       0.58878653      -0.12915052
Cl       7.40309995       3.99779006       6.08194997       0.05057353       0.11944390       1.54447319
Cl       8.94264003       9.45165006       7.96114996       1.10146979      -0.35152688      -0.11891843
Cl       4.61292006       4.52898996       2.60870994      -0.75648733      -1.08557423       0.27058654
Cl       7.94084005       8.86915002       0.78814599      -0.05315192       0.96970063      -0.30962851
Cl      12.68259995      11.20390005       0.13670495      -2.11835191       0.60772057       3.78952929
Cl       4.31056997       8.98771998       2.24145997       0.15361265      -0.19836273      -0.01370862
Cl      12.87770005      10.01969995       9.83597998       0.20741431       1.28352655      -0.74423284
Cl      11.21380002       2.46660999       7.28082006      -0.12988271      -0.71418095      -0.42852192
Cl       5.84398004      12.91219998       2.09342997      -1.29024688       0.38273624      -0.67853213
K       10.87920001       4.72086998       0.53104905       0.60605948       0.13261201       0.06032582
K        2.76803003       2.20020999       3.59871998       0.40737704       0.31566050      -0.17806617
K       10.88860000       9.02500005       0.62888203       0.03518376      -0.58921029      -0.00147988
K        8.46817996      12.64019996       6.09978001       0.28041662       0.00686918       0.19116965
K        6.08639997       2.17419001       4.76988996      -1.82694371      -0.20416297      -0.00952266
K        8.99490998       4.33417999       4.10166002       0.90753028       0.98080867      -1.12154668
K        2.16954004       6.51879995       0.11358100       0.85816913       0.22188487       0.92622889
K        2.45223001       2.81457002       8.72101997       0.40422563       0.19046388       0.62203169
K        6.40639001      10.36179996       7.57859996      -1.55653979      -0.64774446      -0.81778830
K        7.83449997      11.13230002       2.62829002       0.45247673      -0.75929205       0.46077358
K        9.94626996      12.05490004       9.24629996       1.05674424      -0.18432599       0.19816544
K        1.16140995      11.32780005       7.22930996       0.23825379       0.04447164       0.84967081
K        4.09366004       7.69487001       5.48149996       0.07669804      -0.19416558      -0.06729468
K        2.64601001       7.21034003       9.99584007      -0.27738260      -0.16387473      -0.26769256
K        4.13871998       2.94106006      12.90370003       0.24528398       0.16253677       0.00275503
K        6.21734002       6.59954999       1.85600003       0.30318562       1.12284617       0.09113015
K        5.65071001      10.78149996      12.45210001       1.29106232      -0.51579145      -0.72717088
K        8.23027994       1.57322002      11.74929998       0.06492141      -0.22248285       0.27190725
K       12.01449994       8.68023996       5.14399002      -0.13956848      -0.38879391       0.10678067
K       11.40570005       7.96798004       9.40662000      -0.91448579      -1.41602699      -0.32415398
K        3.34803994      11.15959995       0.68648200      -1.00442356       1.32717907       1.13687184
K        7.48562004       6.66514007       7.11821999      -0.04788288      -0.18857509       0.62489485
K        0.26548100       3.68213997       5.70443999      -0.32830706       0.46372429      -0.11138088
K        1.11264996      11.82299996       3.54877996      -0.91758234       0.90775572      -0.90969530
Li       7.11311994       4.92428995      10.95619998      -0.96070209       1.21793936       1.05082919
Li       0.71203306      11.04330001      11.58090005       1.70917983      -0.18717226      -2.51324681
Li       0.30748795       1.62647003      12.61469996      -1.31121240      -1.62195918      -2.11030457
Li      10.27449997       1.37090004       3.62136994      -0.90671598      -4.70586009       2.67698097
Li      10.44520007       3.34830006       9.01829002       0.21169199       0.09496600       0.33858197
Li       6.26665000       0.66625304       9.07044004       0.85402674       0.60771280       5.77200798
60
Lattice="12.99310009 0.0 0.0 0.0 12.99310009 0.0 0.0 0.0 12.99310009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-557.65872949 stress="-0.014322081855458817 -0.006185968020836072 0.0009707682660001527 -0.006185968020836072 -0.008698334858388668 0.00039766829182781696 0.0009707682660001527 0.00039766829182781696 -0.007501632762559407" free_energy=-557.65872949 pbc="T T T" config_type=melt 
Cl       4.83517002      10.58719997       5.27514004      -0.06293410      -0.64960792       0.16877451
Cl      11.08220005       1.56505996       8.87807004       0.50651443       0.60461542       0.98353606
Cl       7.48607999       4.22479004      11.44659999       1.34621350      -0.13786042       1.50615103
Cl      11.24160005       2.04183995       2.67268004      -0.34711317       0.38482455      -0.13115145
Cl       8.47524002       9.38071994       9.33983001       0.84034137      -0.83523888      -0.22539279
Cl       3.85076001       6.80940999       2.04132997      -1.36431831      -2.75131542       0.04234918
Cl      12.23959994       5.38018003       3.77529998      -0.35626580      -0.95049484      -0.62901600
Cl      10.10599999      11.20539998       0.40884998      -0.11607003       1.85121108       0.68215192
Cl       7.41139006       3.34433002       2.98686996      -0.64105385      -0.07112107       0.29650590
Cl       7.70440006      12.51049997       4.77203005      -1.07720316       0.31639271       1.33527755
Cl      12.62859998      12.19579994      11.35059995       0.10681210       0.13076896       0.20265432
Cl       1.66332002       5.93410005       5.46458996      -3.57801112      -1.51588890       2.51609413
Cl       2.79841999       2.87870006      10.22039995       0.21169879       0.48608077      -0.38243270
Cl       2.81716006       3.04611005       0.58681998      -0.71420365       0.24493902       0.55697966
Cl       0.76608903       7.91458996       9.16601000      -0.01329556      -0.74192797      -0.39143454
Cl       4.96141995       6.05001994       6.20339998      -0.29640178       0.92844154      -0.77103933
Cl      12.92118796       0.91958302       5.90822000      -0.52810838       0.84238580      -0.12183183
Cl       3.09025996      10.22030003       0.58197395       1.21157827       0.08476451      -0.19426150
Cl       3.08820003       0.51429094       4.30095001      -0.11513830       0.12570343      -0.58351881
Cl       8.73152996       8.11808998       2.23742002       0.22107699      -0.14378938       0.17527192
Cl       0.68525506      10.55290000       3.98242000      -0.19622519      -0.64163565      -0.43787698
Cl       6.19836996       3.47334995       7.20574996       0.71377155      -0.88707405      -1.96673224
Cl       9.46623000       5.20547000       6.46125000      -0.27849618      -0.58135679      -0.28542147
Cl      10.63750003      10.04040003       6.21797005       0.13490576      -0.57799101      -0.66456226
Cl       5.50259998      12.95101180       8.97598994       0.67882827       1.01865763       1.21174226
Cl       4.87357996       6.28704995       9.94572997      -0.39958048       0.32201098       0.07689338
Cl      12.77739995       8.19023001       0.21467395      -0.82368463      -2.09692961      -1.14458014
Cl       1.58683003      11.41049996       7.85697999       0.27602440      -0.05714234      -0.27603177
Cl       9.71090996       6.72619997      11.46099998       0.52975622       0.23350099       0.20831032
Cl       6.28845996      11.00079997       1.54535996       0.64986051       1.79536985      -0.27054953
K        0.50478103      10.45320005       0.91967904      -0.70817346       3.02907048       1.28713982
K        4.19538003       0.71590903       6.88391996      -0.38261467       0.24069142      -0.79567585
K       11.77570001       6.75445996       6.21412994       0.23518556       1.02261721       0.85508691
K       11.35669995      11.86660000       8.20398996       0.33556087      -0.74252321       0.17681319
K        5.00292004       4.77238996       0.03669654       0.15950013       0.03902988       0.02670407
K       12.06150001       8.10258999       2.87114003      -0.59879822       0.65732705       0.72826805
K        6.17231997      10.51849999       9.58584007      -1.14035000      -0.46453256       0.31379379
K        3.91912996       0.58619099       1.43549004       0.17010358      -0.77529762      -0.01393736
K        1.07123004       0.82639001       9.47034999       0.03772894      -0.23806373      -0.45278606
K        5.02266007       8.88800002       2.51369997       1.04705179       2.00410672       1.06156359
K        0.95389494       2.49507995       3.45742002       0.65330201      -0.01150764      -0.08983602
K        2.26606994       4.94578002       8.02238995       0.47039506      -0.04254617       0.94515387
K        8.00934007       9.15670006       5.62203996      -0.35330104       0.26634575      -0.12631413
K        9.86664006      12.56720004       3.45923996       1.70333379      -0.56841807      -0.84480359
K        1.45485002       5.93137995       0.87117099      -0.29849172      -0.45433903      -0.32762322
K        5.83235004       3.55300999       9.65819994      -2.25636681      -1.22713151       0.93733677
K        7.66694005       6.11958994       8.78388995       0.45419826       0.19841332      -0.26988939
K        9.49709005       5.16413998       2.64095998       0.05193761       0.26053398      -0.31895393
K        8.97034002       2.35306004       7.45277997      -1.05983552       0.01463270      -0.57159953
K        7.02377003       7.33354996      11.53990006       0.17737470       0.52547118       0.65937088
K        1.54416004       9.78071006      11.20720004      -0.07682958      -0.03808442      -0.88898446
K        2.50453997       8.29709994       6.90813001       0.39829825       1.13535724       0.21990004
K        8.31519998       0.76154197      12.86169996      -0.23859142      -0.31312243       0.25776685
K       11.61330003       2.11294002      11.86099998       0.25366474      -0.08265113      -0.00624367
Li      11.45140003       2.99990997       5.17834001       0.16086066      -0.20180545      -0.44002584
Li       1.43073002      12.00700006       5.41730001       0.11176788       0.27196729       0.33895209
Li      10.08840005       9.30270002      12.83149997      -0.05717392      -2.16281722      -0.54107103
Li       5.90556006      11.87849999       3.78080996      -0.20010146      -0.26690078      -0.21690285
Li       2.97295994       6.52446000       4.42713003       4.41473144       1.26797451      -3.04344300
Li       6.47429001       4.50948004       5.25418996       0.01635404      -0.07409073      -0.34661875
60
Lattice="12.99310009 0.0 0.0 0.0 12.99310009 0.0 0.0 0.0 12.99310009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-556.97446809 stress="-0.007935591304316704 0.0016861092559515146 0.0008808564122570425 0.0016861092559515146 -0.01461147953732518 -0.00241390180070714 0.0008808564122570425 -0.00241390180070714 -0.010439724748728526" free_energy=-556.97446809 pbc="T T T" config_type=melt 
Cl       5.78309996       6.07460003       0.71810396      -0.63053676       0.39777794      -0.15137831
Cl       0.32136497       8.92073003       6.19944995       0.15502519       0.48630329       0.10139728
Cl       3.60313997       6.09724999       5.00231001      -0.10428213      -0.33614134       0.10616711
Cl       7.96722995       9.62887997       0.91294004      -1.94554555       0.11024223      -0.55982166
Cl       8.39842001      10.97589999       6.58879001      -1.26567770       0.37539818       0.60888665
Cl       5.48566997       0.72362797       6.46731999       0.32143327       0.80715756       0.17976436
Cl      10.54029995      11.32920005       4.55723994       0.98423735       0.55853991      -0.80582940
Cl       0.89494200       1.30082994       6.29464000       0.21852296      -0.06509473      -0.13436766
Cl       6.58031994       8.23994005       5.49981997       2.74254131      -1.46579038      -1.11856695
Cl       3.34686004       1.89651005       2.37689004      -1.68906599       2.23529374       0.46746379
Cl      11.67460005       3.40638000       8.82323007       0.34014816      -4.06950325      -0.89829034
Cl      10.96830007       0.53875097       1.29771004       0.34363105       0.50218892       0.13848846
Cl       0.46698202       6.33974996      12.91790005       0.20636187      -0.89288889       0.89838424
Cl      12.70960000       9.61010000       1.77569994      -0.97598069      -2.08285236      -3.16892052
Cl      11.62940004      10.80890007      10.32139999       0.12577866       0.30784525       0.36387736
Cl       8.65078005       0.71661495      10.62310003       0.00037105      -0.07254410       0.06047622
Cl       3.49530998      10.60760005       0.91519603      -0.30183532       0.45881179      -0.43493822
Cl       8.41470998       2.99827998       0.64681497       0.06233070       1.07795316       0.08713185
Cl      12.35370002       6.33659004       7.96995005       0.51584025       3.36494739      -0.55419439
Cl       3.05759998       4.62569006       9.07494994       1.37162444      -0.22436135       0.88887119
Cl       2.16337000       1.91844994      12.23680006      -1.08856303       0.00566949       1.51755113
Cl       2.10517001       9.31803005      10.57430003      -0.29688248       0.03643144      -0.09838816
Cl       9.25789006       5.16596006       9.62519006      -0.35092510       0.19440514       0.10874212
Cl      11.78380004       5.27276997       5.14316002       0.01967595      -0.22609126      -1.02546587
Cl       4.99844002      10.19900005       8.01713995       0.44354453      -0.25205215       1.64088283
Cl       3.72027004      10.80369997       5.07171006      -0.05152804      -0.00635271      -0.27928894
Cl       9.35299994       7.09676007       1.84160004       0.22741302      -0.63807846       0.12349012
Cl       4.87845004       1.09064004      10.96699998       0.73105748      -0.26061704      -0.61141993
Cl       7.94907001       3.83588005       5.71305000      -0.24229354      -0.81411988      -0.16706338
Cl       6.70053002       0.49042404       1.02718005      -2.17596389      -1.10182930       1.32657025
K       10.27460001      10.86519995       0.90420400       0.58949782       0.34968070      -0.07165563
K       10.51910001       3.07650000      11.46229994      -0.12334844      -0.59550295       0.48604171
K        9.61465006       5.77777006       6.85154999       0.27364125       0.37793743       0.14416883
K        0.64906005       0.70523598       3.04227994      -0.52264761       0.45738573      -0.17486308
K        8.05727005       1.24677994       3.39428005       0.48197465       0.11177219      -0.01359215
K        0.50599705      10.66179998       3.76033998       1.27317383       1.12075126       3.36149488
K        5.30817006       9.68120994       2.79432001       0.81037217      -0.16389413       0.23162105
K        3.64190995       2.10614995       4.99808998      -0.50549654       0.45684777       0.99213192
K        6.49532999       5.84796996       4.24509994      -0.09489155      -0.48621969      -0.99177428
K        2.76096997       6.67209995       2.13627004      -0.23402269      -0.03336948      -0.02739183
K        3.98397995       7.46251999      11.12370001       0.44920957      -0.62119041       0.52014056
K        0.98159402      11.73860003      12.01080002       0.06588319       0.28306483       0.51652555
K       10.00110006       8.38309997       4.49904996       0.04984812       0.29678873       0.02253898
K        8.12192996       6.57959999      11.68150004      -0.19693999       0.41842037       1.27566018
K        6.12346006      11.56700003      11.88009996       0.12604744      -0.18317766      -0.19891159
K        2.41050994      11.00079997       8.36002994      -0.72740222       0.42994042      -0.95099114
K       12.45639995       8.42372004      11.62350001      -0.34528124       0.51584561      -0.43405521
K        6.08321004       3.32003994       7.97630004      -0.02054321      -0.25795686       0.48546374
K        2.44324996       1.64983994       9.69089006      -0.16868211       0.20118557      -1.43511697
K        2.27241005       7.03294004       7.92932999      -0.24147834       1.24703259      -0.74892296
K        0.99200396       4.36784004       7.35850997      -0.36333468      -1.41995226      -1.75491393
K       11.05929997      10.68839998       7.53465002       0.22700481      -0.12666502      -0.25484652
K        5.04546997       3.33823002      12.86322613       0.02401041      -0.37964291       0.01464748
K        9.98256995       1.54963001       6.42007006       0.36665399      -0.08305475       0.34882560
Li      11.72580001       5.19782005       9.31001006      -1.26213322       1.17012806       2.61822180
Li       6.12756003      11.76369998       6.86594999       0.81775358      -0.68401446       0.08986837
Li       5.20385002       9.27556003       6.17911003      -2.56923060       1.50960176       0.28755603
Li       8.22270002       0.97606896      12.81840006       1.44301559       0.53673603      -1.13973685
Li       4.44204000       0.57068996       1.67388004       1.87630885      -2.70799504      -1.67652131
Li      11.45649995       6.88103004       1.72680002       0.81058013      -0.15113166      -0.13182445
60
Lattice="12.99310009 0.0 0.0 0.0 12.99310009 0.0 0.0 0.0 12.99310009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-561.3138831 stress="-0.004804046270602029 0.0005821578020120365 -0.0034693131817293337 0.0005821578020120365 -0.007594170768716288 -0.0010597615256376608 -0.0034693131817293337 -0.0010597615256376608 -0.010825678682877957" free_energy=-561.3138831 pbc="T T T" config_type=melt 
Cl       8.71484994       7.42636006       8.57742998      -0.08701580       0.63882044      -0.21496158
Cl       0.39281299       7.37700006       3.91260002       0.91210367       0.85134680      -0.18878213
Cl       0.82834404       8.35980997       7.25762998       0.14215846      -0.12668109       0.98992771
Cl       7.25585005       8.87752004      12.48820004       0.19706900      -1.11662614      -0.29259846
Cl       3.39419001       1.57097001       2.10166006       0.50603894       0.25806607       0.07731361
Cl       3.47676999      10.54889995       5.19483995      -0.65023713      -0.43442071      -0.65875262
Cl      10.20959995       6.61274006       5.12656004       0.28901976      -0.14357694      -0.16444582
Cl      10.65830003       6.69570997       1.25280004      -0.89137408      -1.61264977      -0.58486479
Cl       5.90608004       5.10174998       3.69097996      -0.93590363       0.48873151      -0.58423719
Cl       6.84546000       1.47916999       3.72748004      -0.42132532      -0.90148582       0.72512566
Cl       1.48119002       0.20633004       6.12563004       0.08004966       0.74856805      -0.20378653
Cl       0.81868796       1.04429002      12.40120007      -0.64338116      -1.09433175      -0.77278113
Cl       3.36441995      12.67620007      10.16510001      -0.01909055       0.44541571      -0.06285676
Cl       4.06517007      11.40070004       0.44716599       2.29456374      -1.25260634       0.70612873
Cl       4.17734002       7.36869006      10.13300004       0.49842235       0.60309610       0.02117646
Cl      12.52870006       4.96448996      10.41110007      -0.42349676      -0.53385224       0.24450100
Cl      11.09869999      10.22459997       7.59051996       0.35080465      -0.08789727       0.01623630
Cl      10.25979996      12.13580001       0.09599276       1.17875178       0.40294180       0.00694860
Cl       6.11006002      11.00370003       8.11106006       0.32163501      -0.30189247       0.64904241
Cl       0.79898600      11.15799998       2.46031003       0.18032237       0.30113164      -0.08362246
Cl       0.06276356      10.11330003      11.58929996      -0.37467888       0.24631094       0.07333569
Cl       6.17942005       1.83009998       7.75754002      -0.04512533       0.96072851      -1.25452542
Cl      12.16380001       3.64436994       2.45235994       0.37734723      -0.01249392       0.18847360
Cl       2.53624001       4.99438994       7.14774005       0.04622429      -1.01515757      -1.55383042
Cl       9.96290996       3.55008005       7.52525003       0.45932159      -0.07893890      -0.16694858
Cl       7.99058998       4.53327001      11.25449999       0.12296042       0.18261351       3.37456026
Cl      10.52530006      12.42860004       4.92082002       0.01839964       0.29770517      -0.43623938
Cl       7.11885003       0.76140905      11.44150007      -0.09199699      -0.11696212      -0.21765616
Cl       7.14559996       8.99504004       3.10496996       0.11851527       0.37484292       0.36461595
Cl      10.74799998       0.52748400       9.58601002       0.90140984      -0.41673389       1.01276550
K       12.55060006       3.73155000       5.48254006      -0.26511451       0.53967220      -0.15594864
K        9.28258994      11.20869997       9.43510997      -0.92872442      -0.50873527       0.17614027
K        7.18464994       2.15027998       1.17858995      -0.12318301       0.37463553      -1.00330805
K       11.95230002       0.52803803       2.44003001      -0.15687656      -0.08437109      -0.11464653
K        9.56114005       9.62371001       5.08270001      -0.64144402      -0.47079736       0.18087584
K        9.86604004       7.28587997      11.12490006      -0.04051090      -0.21243267       0.62786772
K        5.61002004      12.25189999       5.71208006       0.57384284       0.81091196      -0.31438391
K       12.69200007      10.36349997       5.08286996       0.52636985       0.32850122       0.22524561
K        7.56222995       3.69393004       5.21477994       1.38309878      -0.06710908       1.11978091
K        4.53206997       9.11642002       1.82012998      -0.08035851      -0.55039642       0.51832867
K        9.96201006       2.66073002      11.03769998       0.23416541       0.25921267       0.22774404
K        1.51429995      10.38729995       9.07137996       0.13681848       0.47432164       0.14577630
K        4.07244997       2.94403002       5.44915000       0.14335475       0.05738527      -0.11854532
K        4.93330002       8.58104998       6.57477994       0.46714892      -0.40739857       0.53348652
K        1.40855002       2.20850998       9.49529999       0.11016329      -0.25731055       0.00323149
K        1.68451996       3.13397004       0.64140101      -0.10567114       1.85962987       0.56848825
K        5.17772999      10.20900006      10.96449998      -0.23891038      -0.11263610      -0.62006106
K        1.96162003       5.93934004       9.49161995      -0.16632067       0.86246838       0.90560483
K       11.55150004       6.73861995       8.05971003      -0.58568006      -0.08224995      -0.49403370
K        7.46443998       6.50726000       1.52008006       0.30905077       0.03623110      -0.02817208
K       11.75250005       0.95540305       7.18714995      -0.18903214      -0.27145008      -1.04985740
K       11.40040003       9.10951003       1.27278005       0.88872973       2.56962052      -0.24860576
K        7.69946996      11.39859997       0.22212497      -0.88586302       0.63791660       0.74813816
K        7.55748006       4.91763996       8.89871998      -0.92304012      -0.01001157      -2.82296938
Li      12.20430003       6.42645006       2.74766998      -1.80633047      -1.99851167      -0.92654270
Li       1.50096994       7.91788995       5.44102996       1.55099120      -0.01329563       0.13157027
Li       2.75783006       0.09979987       3.42199004      -0.74819865      -1.37557009       0.61312029
Li      12.16979997      12.62560000      11.60130000      -0.33337657      -0.71018299       0.03316405
Li       2.67875003      12.56729996      12.93880946      -2.22893715       1.75151594      -1.01855833
Li       5.71937998       0.76954000       9.44026004      -0.28765375      -0.98357604       1.14780758
60
Lattice="12.99310009 0.0 0.0 0.0 12.99310009 0.0 0.0 0.0 12.99310009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-557.8462101 stress="-0.008535714647472156 -0.00323611908493029 0.0011379189012817232 -0.00323611908493029 -0.008344684054448537 -0.002806370609599149 0.0011379189012817232 -0.002806370609599149 -0.013284980122461165" free_energy=-557.8462101 pbc="T T T" config_type=melt 
Cl       6.35317002       1.23744999       7.72362998       0.29121443      -0.86063985      -0.32414579
Cl       2.15976000      12.75400002      10.55589998      -0.12764296       0.08907540       0.03906556
Cl       3.82838004       8.43737995       8.63052004      -0.41107695       0.00685513      -1.12159069
Cl      10.55850003       1.54681999       9.22602007      -0.83843325      -0.08156907       0.55127536
Cl       5.81767005       4.41798003       3.91721997      -0.26991922       1.55358479      -0.95604540
Cl      12.19350003       8.00698000       4.77623995      -0.12616313       0.05558534      -0.26140760
Cl      11.54329997      11.78300006       0.51073096      -0.09222361       0.17466762       0.51427370
Cl      12.15910002       8.24771005      12.51670002       0.18351196       0.35113110      -0.24529528
Cl       6.81433996       3.20080005      10.63170004       1.46015480       0.97893527       0.58154714
Cl       2.96741994      10.61750001       3.76748996      -2.86670389      -0.43508979       1.91750852
Cl       9.61453000       1.54465001       2.47052000      -0.50849866      -0.91449842      -0.41995615
Cl       8.66299006       3.26984006       6.52687997       1.56732445      -1.17692625      -1.02030286
Cl       2.60458996       3.43567996       7.56632005       0.08677655      -0.07920740       0.41945648
Cl      12.48760002       6.46752996       9.05004996       0.02250132       0.04155898      -0.17139017
Cl      12.39709996      11.88050002       8.09607005       2.06697984       2.14221195       0.22329059
Cl      12.02729996       4.47020995       2.33996001      -0.91553050       0.37100387      -0.34525190
Cl       7.06104996       9.46840999       4.97516002       0.14616194       0.06573126       0.30074781
Cl       4.99852006      12.96810007       3.27032003       1.27321250       1.63179793       1.50683322
Cl       0.68575399       1.24006004       2.46441000       1.48012919      -0.28575823      -0.91721019
Cl       7.08494999       7.88212995       1.37011006       0.32565547       0.14846978       0.42335019
Cl       9.80312004       6.19862995      11.80139998      -1.13327019      -0.82712447       0.19420210
Cl       9.42973005      11.33030005       9.43317997      -0.07103547      -1.05943134       0.73390567
Cl       3.57003005       4.35669002      12.96690132      -0.38422082      -0.69500768      -0.66132667
Cl       2.23978996       5.14962006       3.32363994       1.61225872       0.66356986      -0.07325754
Cl       3.01951006       8.19190001       0.44019103      -1.06266724      -0.67468111       2.33305270
Cl       6.31692005       8.51419996      10.84660007      -0.21772050       0.01107723       1.47709334
Cl       5.72378996      12.19719995      12.52940000      -0.27212987      -0.12882000       0.14973469
Cl       5.99179994       5.82101006       8.02801999       0.31791653      -1.09040012      -0.36580453
Cl      10.54830006      11.90259998       5.71638000       0.09289983       0.56763007       1.36474963
Cl      12.06329994       2.37599000       4.85249996      -0.00738612      -0.03802784       1.45354762
K        6.36542004       2.21115005       5.04248000       0.18684295      -1.63892022       0.35795484
K        0.47275901       9.00225004       1.93636002       0.09731538       0.38677820       0.61320542
K        3.55055001       9.20307997      11.25919999       0.57891466       1.78419802      -1.69729426
K        0.02516945       1.25327000      12.08130007      -0.14341311      -0.13167343       0.57529057
K        5.06265997      10.30160007       2.51567999       2.92933973      -1.28552851      -1.55714155
K        9.42107002      11.55540005       3.50623003      -1.25314066      -0.30784939      -2.09271511
K       12.02780007       9.50282000       7.46126005      -0.76512768      -2.32605360      -0.86403661
K        9.22442997       7.46366001       3.73664005      -0.19916395       0.13023525      -0.16374037
K        4.71406004       2.12209002       9.59981999      -2.16969506      -0.68931384       0.11931600
K        9.41781005       3.79520996       4.00203997       0.59660183       0.55949930      -0.81934558
K        3.30042998      12.52989997       1.39599998      -1.38038519      -0.26033548      -1.55602111
K        2.57349006      10.67779995       7.24919005      -0.15351609       0.26263473       0.14946818
K       12.06480000      11.18269999      10.74870005       0.22580865      -0.25720494       0.37126118
K        7.79561007      11.70429994       7.29558997      -0.33954198      -0.07966033      -0.81453530
K        7.98098003       0.32998602      11.05250003       0.09274060       0.21226062       0.05892767
K       12.82739999       2.85766995       8.76694006       0.88269416       0.88210478      -0.61626264
K        7.30236002       8.14436995       8.53656005       0.71509348       0.41529362      -1.45715005
K        3.70961999       7.61387999       5.71617003       0.24351393      -0.53901644      -0.12448722
K        2.07641004       1.04652002       6.04503995      -0.48456285       0.10487651      -0.51732303
K        0.91237796       5.66573004       0.66845706       0.12207898       0.29084215      -0.41163662
K        4.53311994       6.24934995       1.74899003       1.01047888       0.10004177       0.57673859
K        3.61661005       2.60767998       2.34095996       0.05193030       0.28613853       0.22750141
K        4.16750996       5.34609003      10.30900003       0.10426824       0.52195551      -0.36531255
K        8.92083995       9.04772004      12.12899995      -0.24961941       0.20261241       0.34559220
Li       0.42198198       4.71793003       3.99085005      -1.66219140      -0.68711926       0.74088449
Li       8.33497002       4.68010997      11.26560000      -0.11404395      -0.00159242       0.20321572
Li      10.32090002       1.12743000       6.94572996       0.35563524       0.00330500      -0.31724655
Li      11.62080004       0.68226197       2.79812998       0.02479159       0.40948906       0.15559819
Li      11.39109996       7.04829996      10.83169997       0.92168434       0.10245255      -0.40388764
Li       7.75685996       4.13503994       7.95872999      -1.84740676       1.04384586       1.98253220
60
Lattice="12.99310009 0.0 0.0 0.0 12.99310009 0.0 0.0 0.0 12.99310009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-559.6417735 stress="-0.008406543570255548 -0.0035030772869457665 6.878131822006925e-05 -0.0035030772869457665 -0.01212820270108388 -0.00039225721549113245 6.878131822006925e-05 -0.00039225721549113245 -0.008960904455609443" free_energy=-559.6417735 pbc="T T T" config_type=melt 
Cl       8.12572004       0.60482400       9.45645997       1.24754379       0.79922157       0.54157926
Cl       2.35484997      11.93850005      10.30939995       0.01437624      -0.16789782      -0.19894081
Cl       9.90660995       7.73985005       0.85925398       0.73292270       0.08776389       0.24957684
Cl       2.06584003       9.00114004       5.55657007      -0.11355877      -0.49171779       0.15943047
Cl      11.57980005      12.34760002      10.97380005       0.32947186       0.59577458      -0.07549244
Cl      11.53049995       9.11538005       4.14157001       0.73506753       0.61685696      -0.06528338
Cl       7.86606996      11.50919997       2.71154006       1.42653954       0.16491747      -2.52667678
Cl       6.46166006      11.79010001      11.97390001       0.10727537      -0.25914345       0.53873480
Cl       0.46723604       0.46905195       6.89497995      -1.90258521       1.29148513       0.25892520
Cl       6.19796003       9.13509994       9.13260007      -0.08094010      -0.08417256       0.04676511
Cl      12.58779995       9.91016006       9.44505996       0.37722826      -1.32878696      -0.38815570
Cl       6.95331001       5.03905996      12.18430001      -0.09472718      -1.66424938       1.14193452
Cl      12.10469999       3.98964000      11.74619996      -0.18757316      -0.04400017       0.23910597
Cl       5.50821001       0.15168795       6.36369001      -0.27586474      -0.44650388       0.15988539
Cl       3.50191996       2.59318994       1.37766997       1.30834146       0.78531416       0.57942617
Cl       0.97503095       4.54687002       4.44392998       0.14429224       1.40701625       0.53892736
Cl       3.59497004       2.67675000      10.50869995      -0.27711664      -0.66534697      -0.26387130
Cl      10.54979998       3.19544001       7.33121003      -0.57011158       2.95337056       1.27945749
Cl       4.47429004       7.30861997       0.90010701       0.09228833       0.46734204       0.03246593
Cl       8.26085998       6.87335995       4.16534999      -1.19944757      -0.92609777      -0.41436117
Cl       0.91873405       9.59313998       0.25498400      -0.49922498      -0.43709538      -0.09319638
Cl       0.13235201       0.10419986       1.97668995      -0.67773013      -1.06239672      -0.86622872
Cl       3.47212002       0.06549991       3.55997001      -3.42235104      -3.07323348      -0.64256697
Cl       7.09258006       5.22627000       8.57815005      -0.41364024      -1.13427925       1.01986100
Cl       9.60195996       6.86248005      10.47680007      -0.43231328       0.27247898      -0.25467955
Cl       6.30396995       9.50716996       5.22208999      -0.77948246      -0.63901974      -0.10687123
Cl       9.43254994      12.78250000       6.30480996       0.85490722      -0.37068255      -0.58741689
Cl       1.19852994       5.78067999       8.72734995       0.01213677       0.50814221      -0.06791616
Cl       8.47742001       1.13981997       1.45082996       0.69468971       1.59416938       0.65138838
Cl       6.07329994       4.25366006       5.22128000      -0.50854760      -0.27176438       0.00805742
K       12.24530001       7.27052004      10.48739997       0.79392227      -0.43475565       0.54155912
K       12.67950006       6.95991999       6.16979995       0.53901853      -0.42357001       0.02804222
K       12.96750004       1.83187003       9.70994002       0.17558169      -0.04151686      -0.27202974
K        9.91794994       4.52774002       0.95057001      -0.08599659       0.20732538      -0.13607585
K        3.18363994       8.85314005       8.99562005      -0.00263682       0.19364332      -0.07444455
K        8.72233007      10.82460002       9.88065000      -0.27140195      -0.32561063      -0.09553868
K        1.18431003       2.20649995       0.22455104      -0.87930538      -0.00464109      -1.20172638
K        3.88330006       9.37575996       3.11299996      -0.07390808       0.29925600       0.34292359
K        9.17827003       3.97739998       9.93597995       0.27274033      -0.39280303       0.08327119
K        6.44727995       2.38703999       0.12685605      -0.92276595      -0.49905851      -0.52402159
K        2.27563000      11.84459995       6.12777000       1.77792860      -0.68424227      -0.46213886
K        2.89960999      11.52340000       0.07549992       0.88459260       0.71022030       0.35177886
K        6.81648006       6.95326999       6.70392005      -0.16034899       1.04469496      -0.68434876
K        4.53920006       5.68829996       3.26213996      -0.08596825      -0.37003457      -0.05825439
K        5.33612003       1.45337998       3.86711000       3.20471237       2.58547821       0.12853794
K        9.59232999      12.31649999      12.80489997      -0.62004565      -0.37016393      -0.06444143
K        5.56327996      12.94370006       9.34910006      -1.48568291      -0.33523982       0.15913647
K        3.01077999       4.60837000       6.83978994       0.34842051      -0.45325971       0.01340030
K        7.62999001       1.94666004       6.96773001      -0.02691441       0.91849912      -0.07596078
K        7.44543004       9.04246004       1.50624994      -0.45640134      -0.54782877      -0.09642251
K       11.47209999      10.44219996       7.11118994      -0.39974807       0.85096881      -1.07280041
K        4.13567998       5.04384999      11.75140006      -0.34822254       0.53509566       0.10997555
K        0.97528301       2.07645006       3.49431003       0.86054147      -0.31482972       0.77192428
K       10.54509999      12.42929998       3.17480996      -0.11011086       0.11198856       0.54459821
Li       7.71203000       6.68843994      11.50380003       0.61441881       1.79324452      -1.09632514
Li      11.00189997       1.56693006       6.57923995       0.95422193      -3.33461918      -1.05496967
Li      12.37359999       9.05493004       1.78645005      -0.42439231      -0.23288459       0.01345363
Li       6.94123006      11.21240001       4.27785997      -1.40576738       0.24670848       3.11389904
Li       9.99946995       7.71792003       4.19222998       0.57853697       0.34276348      -0.54356902
Li       0.40952796      10.95369998      11.08559996       0.11311508       0.44770660       0.41670353
60
Lattice="12.99310009 0.0 0.0 0.0 12.99310009 0.0 0.0 0.0 12.99310009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-558.7839525 stress="-0.003741474667759676 -0.004048252668149282 -0.0015612531711709772 -0.004048252668149282 -0.012003766557520348 -0.0018489032991386915 -0.0015612531711709772 -0.0018489032991386915 -0.008155510859642673" free_energy=-558.7839525 pbc="T T T" config_type=melt 
Cl       6.68631999      12.60820003       6.52263006      -0.02459719       0.44956345       0.82839008
Cl      12.32800006       2.83761003       5.53046004       0.06601009       1.04752045      -0.12094167
Cl       7.10609002      12.13429996       1.69472006      -0.05814956       0.10519204       0.13972704
Cl       3.65968997       1.34048995       0.21455701       0.05828029      -0.87805646      -0.75853204
Cl       4.13061995       9.17290999       7.18857997      -1.06565865      -0.56748198      -0.25113024
Cl       7.85647001       8.75574001      10.12660003      -3.59026921      -2.51189856      -0.20331740
Cl      10.62580000      10.29660006       5.53584997      -0.01012028      -1.41688409      -1.11610465
Cl       0.55882297       6.91942998       5.94294004       0.24348643       0.11359314       0.15608779
Cl      10.03400002       8.25842000       0.02146408       0.18336157       0.74779825      -0.54404501
Cl       6.99422995       5.58332000       0.11979989      -0.32413221       0.22592247      -0.03641010
Cl       9.83488999       1.47427003       7.25865994      -0.12798630      -1.54076643       0.77905061
Cl      12.51989996       3.05240001      10.76610002      -2.18947082      -3.19979193      -0.83611343
Cl       5.56614000       8.62003006       2.51206999      -1.10885610       0.52830139      -0.53084802
Cl       2.73416001       4.51549000       9.71075001      -1.15552704      -0.64457290      -0.77459508
Cl      12.81700006      11.17209996       1.38019998      -0.26601661      -0.20938668      -0.23813123
Cl      11.12400002       1.90865002       1.05078994       0.31707747       0.29080763       0.55217276
Cl       7.79078001       2.25465004       4.23488997      -0.37697543       0.88071980      -0.00517636
Cl      11.31739998       7.86253999       9.38282002       0.94216480      -0.94300190      -0.17285508
Cl       1.87829996       8.00373004       0.92000595       0.30740299       0.11019191       0.29068966
Cl      11.79010001      11.97260005       9.57823001       0.36860219      -0.05963445       0.13239086
Cl       2.51656002      10.86370003      10.76720001       0.35809659      -1.17592986      -0.76078724
Cl       2.07841995       4.43192994      12.93420003      -0.71674926       0.38138862       0.54983367
Cl       7.09673005       8.66719995       5.40955002      -0.08267194      -1.04127598       0.18418045
Cl       2.72298997      11.56840004       3.08427001       0.53969247      -0.06521763       0.33003283
Cl       6.40672004      11.72349997      11.19300001       0.53090181      -0.37268888       0.05799885
Cl       9.80201004       5.57940999       3.52041005      -0.00909372      -0.46159506       0.17279435
Cl       7.76612002       2.17159996      11.79520006      -0.87305680      -0.20966559      -0.47459790
Cl       7.49305001       4.44414995       8.18114003       0.96748737       1.46534462       0.43457082
Cl      12.88260807      12.62579996       6.14724003      -0.33681621      -2.63321036       3.13040671
Cl       3.86956999       4.74392000       4.37360002       0.21767178      -0.03706722       0.08395038
K       12.55229994       1.40247003       8.30149005      -0.18149812       0.37057666      -0.06790776
K       12.74329994       4.35151006       2.32758005      -0.12102472      -0.18724992       0.14593172
K        1.74783001       3.83237997       6.94357999      -0.24187042       0.66142934      -0.47262460
K       10.24649997       0.78390101      11.52380005      -0.04785042      -0.08037573      -0.14015156
K        5.87605000       2.83626005       7.05269994      -0.46593775      -1.51978142      -1.05786671
K       12.93690558       8.92242004      11.88000005       0.02038709       0.48261525       0.16257514
K        5.13369000      10.91660000       8.98092004       0.34381685       0.57426548       0.01097391
K        0.47554201       0.72241000       4.15146998       1.06699600       1.01952425      -3.97390624
K       10.59639999       8.03402995       2.56965996       0.63533252       0.95391722       1.11255407
K        1.14956999      12.84020002      11.89649998      -0.60865412       0.84295305       0.85414691
K        4.24352999       6.52723000       9.02390005       1.15718356       1.28380176      -0.32916721
K        9.30342997       7.40582005       6.47606006       0.70723539      -0.30041270       0.56444377
K        6.97044998       6.37547995       3.01642004       0.61092999      -0.76166873       0.66628567
K        4.36850997       2.17516995       2.63429998       0.51654084      -0.06634811       1.03694831
K        9.37051997      12.92989996       3.79728002       0.06549777      -0.19942587      -0.12512911
K        4.24762996       6.09488005       1.25708997      -0.62590425       0.26463116       0.15204586
K        1.13091995       9.68167003       7.78669004      -0.49343966       0.10781657       0.46484269
K        7.17647001       9.10170001      12.94324959      -0.18998474       0.49278848       0.02457312
K        4.41548003       3.51347004      11.60420006       1.21975012      -0.36978617       0.16368083
K        5.79972996      10.91170005       4.63092005      -0.70450884       0.53642430      -1.19926195
K        8.46369994       3.23137996       1.19953002       0.29162618      -0.02548568       1.04023588
K        9.73375001       6.05933002      11.51699998      -0.54458862      -0.73507574      -1.04228180
K        9.84657001      10.00619999       9.97135002       2.02248354       2.29594751       0.27828201
K        1.01001006       9.46667995       4.52673994      -0.19101025       0.34780852      -0.65874137
Li       3.15462998       9.98722006       1.38278002      -0.25718884       0.00590385       0.22210643
Li       9.56604001       3.21286999       6.25619004      -0.29647228       0.65804097      -0.82831194
Li       4.89902994       7.95727996       5.66341999       0.61318743      -0.31790519      -0.74988532
Li       0.41962204       4.58712005      11.13810001       2.74108126       2.91654836       0.91761671
Li      10.25209999      11.64389995       6.97000003       0.08078666       1.68241169       1.00777501
Li       6.11819006       0.10374094      12.69729995       0.09300928       0.68789306       0.82152616
60
Lattice="12.99310009 0.0 0.0 0.0 12.99310009 0.0 0.0 0.0 12.99310009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-560.63780688 stress="-0.005889112060122754 -0.004581160107264 -0.0021850568311575754 -0.004581160107264 -0.00512246195173041 0.0002990225508101485 -0.0021850568311575754 0.0002990225508101485 -0.011384137131456014" free_energy=-560.63780688 pbc="T T T" config_type=melt 
Cl       9.30839996       1.75511004      10.89450004      -0.18619064       0.29493307       0.59704046
Cl       3.32817999       6.61373001       4.44474997      -0.65292011      -0.08224372      -0.80788122
Cl       2.31759005       4.09485995       7.41035997       0.34184151      -0.22906466       0.14285614
Cl       5.40521006       5.81883995       9.41230006       1.60802945       0.16939962       0.19979433
Cl      10.96139995       5.82351006      10.91720002      -0.28377484      -0.11108947      -0.28475075
Cl      11.22970006       3.96512995       7.15046003      -0.48983183       0.20997959      -0.85319388
Cl       6.85119996       2.61918004       1.96493003      -0.13600398      -0.15180894       0.53476117
Cl       0.37825903      12.69780006       6.40414000      -1.05330576      -0.50228724       0.13948956
Cl       2.09827003       0.35185003       1.50900006       0.66838844      -0.22387690      -0.78036195
Cl       5.31918002       0.90714706       6.11292006      -0.36103260      -0.37944553       0.57878464
Cl       2.45518997       9.87578005       4.20784002      -0.18174780       0.45965383      -0.01741960
Cl      12.21020006       3.04447006       3.70825000      -0.88973648      -0.72385840       0.19145243
Cl       1.30950998       1.50100996      10.67490002      -0.72574520      -0.08381196      -0.24950226
Cl       5.10143996       2.46372994      10.34599996      -0.16533529      -0.39190135       0.22746038
Cl       8.36066998       9.91605996       3.22384994       0.31065649       0.82683622       0.52008029
Cl      10.80589996      12.82520000       2.83571005      -0.76285675       0.46235987      -0.09050485
Cl       6.58475994       6.22244994       3.89515002       1.51038937       0.27475414       0.95318311
Cl       1.76542006       6.50612999       9.78650005      -0.11495176       0.13574409       0.24976617
Cl       3.24992995       8.60202994      12.51510005      -0.50584550       0.77362272      -0.08786816
Cl       2.33136000       4.97183002       0.84144096      -0.15279201       0.46118121       0.76756761
Cl      11.01200002       5.62150997       1.92648006       0.12692523       0.17157313      -0.10966900
Cl       6.60890996       7.52855002      12.61100004       0.50073899       0.08400578      -0.76423257
Cl      11.23180001       9.13516997      12.98069584       1.18271151      -0.58810959       0.58450635
Cl       8.97464996      12.35279999       7.16793003      -1.45912835       0.56080031      -0.69613994
Cl       4.06900004      10.71169998       7.95591998      -1.29061395       0.13921264       1.01296929
Cl       6.91840001       9.16314996       7.27888006       1.33588493      -1.28208710       1.31221492
Cl       4.79146006      12.03809996      11.86789996      -0.04580386       0.21791783      -0.06718022
Cl      11.89470005       9.44195006       9.43964001      -0.13984902      -0.08418007      -0.05976392
Cl      12.59180001       7.95872999       5.55675002      -0.47272441      -0.20245822       0.11604014
Cl       8.35239000       2.88987998       6.16055004       1.09489632       0.95584305      -3.29281319
K        0.10632098       7.89651006       2.64006996       0.39247274       0.23522840      -0.18907604
K        9.95342006      12.49029999       9.50093003       1.66042365      -0.65289252       1.24164875
K        1.03558997       4.83567000       4.67124998       0.50481009       0.51274740       0.76794490
K       12.89980002       3.94650005       9.18836996       0.79818372      -0.03844585       0.94820443
K        3.70191001      10.84559999       1.37150994      -0.13909733      -0.10697510       0.30335423
K        9.56704996       2.97056999       1.34792005       0.72586244       0.04354359       0.05613780
K        0.47130301      12.45449997       3.63056997       0.36922463      -0.20576330       0.00069454
K        1.21025998      10.63149994      10.99859998       0.14312617      -0.17354593       0.16798991
K        6.13616004      12.39330000       9.24866002      -0.32085242       0.25930187      -0.48068860
K        5.26165996       8.63650999       9.67385000      -0.42420611       0.32609439       0.77537984
K        4.86464006       4.45639997       3.00916001      -0.90323340      -0.56564946      -0.17704642
K        6.96157998       1.15294001      12.65829999      -0.40596056      -0.24192795      -0.65009408
K       10.19460007       5.64455999       4.83093999      -0.22732492      -0.10938535      -0.23285480
K       10.21739997      11.11809999       5.14563001       0.73646364      -0.80754586      -0.60248870
K        6.40178006       8.42147003       2.24601002      -0.80896892      -0.31377082      -0.05212183
K        5.57325996      10.69070002       5.73886001      -0.61996731       0.99022559      -1.93266951
K        4.16387995       5.97158995      12.25140002       0.80939898       0.13948441      -0.58558508
K        0.90810998       2.85369003       1.34275998      -1.05042312      -0.68092664      -0.15332580
K        8.61625999       6.88712004       7.92939001       0.08590796      -0.33175351       0.05492254
K        2.38884005       0.59770599       7.94199995       1.04020051       0.58791996       0.12948714
K        7.54661004       0.60998304       4.46252999       0.33806769       0.09302964      -0.44554104
K        8.94998997       8.98240996      11.62220005      -0.43292805      -0.19187999      -0.24593704
K        4.25670005       6.46938004       6.96675994      -0.04052719       0.09797486      -0.40857010
K        7.74701003       2.24264000       8.40808999      -1.09201804      -0.40908354       2.37740738
Li       3.00391002       1.05215006      11.80350005       1.08971276      -0.21625951       0.47238568
Li      11.27810001       6.55672005      12.94689429      -0.15663691       0.56032721       0.29234783
Li      10.79949995       2.22171994       5.57348994       0.08466215       0.34387789       0.08029869
Li      12.52340004       7.27846000      10.35590005       0.45347866       0.51787044      -0.38581388
Li       1.08510004       9.36634996       6.52185995       0.19081284       0.25615298      -0.57206891
Li       3.57622996       4.92091006       9.56162002      -1.41093642      -1.07956728      -0.52100730
60
Lattice="12.99310009 0.0 0.0 0.0 12.99310009 0.0 0.0 0.0 12.99310009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-558.09947211 stress="-0.009028480045338082 -8.921877160373555e-05 -0.0015499691156147474 -8.921877160373555e-05 -0.017335632925495753 0.00362456858039805 -0.0015499691156147474 0.00362456858039805 -0.009641346858679616" free_energy=-558.09947211 pbc="T T T" config_type=melt 
Cl       3.78538003       8.09356004       0.18896099      -0.18083665      -0.48504210      -0.04427522
Cl       0.72013595       9.35704002       9.16897997       0.25288951       0.87569003       0.09578099
Cl       5.57694000       0.63994305       2.96170999       0.72082663       0.41747697      -0.26619372
Cl       5.69992996       6.02190002       8.86926995       0.08911554      -0.23132473       0.20708739
Cl      12.66659999       9.70007995       0.98294296      -0.72919302       0.14468349      -0.10349637
Cl       6.23715995       3.57149996       5.19037006      -0.14327206       0.34630286       0.23205805
Cl       9.86045002      12.81830002       4.68465002       1.16186439       1.00686491      -0.46692508
Cl       7.22505004       9.76329996       5.71432995      -0.59295423      -4.02186570       2.87504313
Cl       1.43951998       1.12744001       8.01442998       0.37894262       0.06452333       0.28319084
Cl      10.02089999      12.17720006       8.03301999       0.95777637      -3.09697915       1.40122581
Cl       2.26923999       4.76971000       1.85669997       0.75377566       0.13514560       1.15058647
Cl       9.77160995       6.04568999       4.76207006       0.12455634      -0.28580251       0.00241705
Cl       1.75886998       5.67597003      10.14150000       0.12374710       0.02261787       0.35431751
Cl      10.36910000       3.59882003       8.98628996       0.34383422       0.55291011       0.35213106
Cl       1.50264995       1.21518995       4.07541006       0.56606359      -0.37690514      -0.42686626
Cl       5.85078998       1.27809994       8.00079996       0.93261563       0.49994827       1.05498617
Cl      12.16429999       5.16186996       0.90537000       0.79833443       1.09592826       0.02976086
Cl       0.22757194      10.67460001       4.56602003      -0.04672423      -0.34140620       0.03324885
Cl       2.98426004       7.98923000       5.21480996       2.44613375      -3.55922739       0.50667724
Cl       8.91102002       7.13819000      11.14980003      -0.04646423       0.45344163      -0.16826046
Cl       0.58644799       5.23945995       6.48866999       0.38167671      -0.62911551       0.07746841
Cl       7.95913005       3.12284002      11.18209997      -0.59905584      -0.23738793      -0.24039543
Cl       3.28645005      11.79180002       1.51326999      -0.46606812      -0.82871435      -1.05577691
Cl       4.14448995      11.59750004       5.06425994       0.14120354      -3.18882704      -0.33429400
Cl       8.16896004       3.99772002       1.97409003       0.25148177       0.04628166      -2.26979370
Cl       7.51504005       9.32756998       2.21822999       1.41485585       0.39181396      -0.91550702
Cl      12.45949998       1.64379997       0.37761899      -1.52019785       1.52384622      -1.79062196
Cl       4.56730999      12.85059995      11.46090007       1.24436771       0.80615193       0.05238877
Cl       2.11553006       2.58510005      11.51270005      -0.42468258      -0.27574071       0.83023766
Cl       8.68865000      11.67810000      11.96680006       0.21893701       0.25895375       0.19203948
K        0.32398906       3.51920000       9.23195999      -0.20475337       0.01775210      -0.31183729
K        7.85049006       6.74727998       6.96645006       0.02552928       0.13110946      -0.51057994
K        0.42550805      12.63850007       1.37921004       1.79456940      -2.69213496       1.68894424
K        3.42888002       2.05982006       1.59119000      -0.09758120       0.08959123      -0.33640515
K       12.51109999       7.58637997       7.31816002      -0.49223766       0.28545700      -0.05961676
K        0.46646399       3.80895003       4.08382998      -0.23259209       0.31882863      -0.26593300
K        1.87415997       7.84162994       2.34454995      -0.54382300      -0.11327491      -0.48246104
K        5.04053000       9.43195005       3.00320995      -1.22843769      -0.03639942       0.55823378
K        3.52893001       5.12619000       6.11773998       0.50186196      -0.03069345       0.05415083
K        9.33330007       1.43890996       7.59638998      -1.66001528       2.84943130      -1.52993123
K       12.94970002      11.85800000       7.35286005      -0.48522906      -0.50382276      -0.60624035
K        3.21248995       7.95003995       9.80859001       0.36886916       0.01721578       0.21485615
K       10.94720005       3.10616000       2.07065995      -0.69755233      -0.43706257       1.24631737
K        7.56245006      11.59959998       4.32980001      -0.58658619       2.99341030      -2.84605719
K        5.10591998      10.30320004      12.36980003       0.78615474       0.17475083       0.42357666
K        9.93053999       7.73938996       2.28828996       0.30504784      -0.32324866       0.08752854
K        3.96594995       0.73079497       6.26684997      -1.21902814       2.58317959       0.21449925
K       10.88420002       1.05527997      10.64360003      -0.21909627      -0.11865421       0.06131310
K        2.30391000      12.22129994      10.30100004      -1.11758216       0.03105054      -0.39227391
K        4.32944998       3.23334998      10.03090000       0.67116761       0.09010624      -0.43124902
K        6.55679996      11.57040007       7.81567999       0.29146579      -0.25880746       0.27343933
K       10.40149998      11.80769994       1.76531001      -0.17570622      -0.33198439       0.34078147
K        7.15130003       1.14277005       0.07156184      -0.50757785      -0.20098697       0.35878983
K        9.86636006       4.69408003      12.50180005      -0.23387611       0.35294550      -0.49644640
Li       1.59365999       4.61253000      12.89399639      -0.61857785      -0.06510700      -1.27060601
Li       7.72149002       5.08715002      10.03889998      -0.09275299       0.28768197       0.04665958
Li       1.96743003       9.44571000       4.94647996      -2.17627278       4.07224733      -0.27484865
Li       3.55175005      12.69459999       3.33677999      -0.16530082       0.48310623       0.61228589
Li       9.55042997       9.70162002      11.66240005      -0.00559640      -0.82233366      -0.20598107
Li       8.03475002       3.67635999       3.88684003      -0.53803989       0.07240396       2.19085139
60
Lattice="12.99310009 0.0 0.0 0.0 12.99310009 0.0 0.0 0.0 12.99310009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-558.39422837 stress="-0.011870782467480629 0.0007950623879182248 -0.000766113713098066 0.0007950623879182248 -0.010537010059209572 3.7141186076156235e-05 -0.000766113713098066 3.7141186076156235e-05 -0.008283388146915593" free_energy=-558.39422837 pbc="T T T" config_type=melt 
Cl       4.08339003       1.19836999      11.33759996       1.02770052       2.34340524       0.72045372
Cl       6.07353005       5.65318000       0.03349985       0.06481828       0.36837257      -1.25301685
Cl      11.02129996       0.03539970       6.45842998       0.10814534       0.24059058      -0.78792691
Cl      10.23340006       8.32439000       7.72793005      -0.51462647       0.03747429       0.29975302
Cl      12.85749994       5.63157001       8.62332005      -1.31791763      -1.65668751       2.04899140
Cl       6.66749000      10.78920006       5.60310005       2.21727789       1.77508410      -0.58286986
Cl       4.97050004       7.87894001       3.66977002      -0.69397495      -0.38710814      -0.66953827
Cl       6.15952995       7.59934006       6.92463995       0.19419444      -0.42420736       0.23889571
Cl       5.83165998      11.23479999       9.07582996      -2.23807646       1.80020514      -1.12804869
Cl       6.50444998       2.89564995       1.83361006       0.73512673      -0.96189016       0.87295844
Cl      11.95100006       9.02745003       2.69863999      -0.31424089      -1.23102819       0.06834018
Cl      12.21730001       7.41340997       5.63677998       0.54478371      -0.63371473      -0.73346797
Cl       9.95344995       0.32429985       1.76699002      -0.27907181      -0.07752463      -0.18151671
Cl       3.71052002       5.74074999       9.48590000      -2.93449954      -1.00938401      -0.47994937
Cl       2.87841006      11.80700000       6.99626000      -0.42037863       0.05680719      -0.12863077
Cl       0.73184195       1.45892998       9.19176999      -0.16385074      -0.25195718      -0.40128425
Cl       5.38683003      10.68430000      11.74000004      -0.80383447      -0.27341062       1.64279188
Cl       1.38329000       6.25123005       0.67390000       0.70487312      -0.58750332       0.15239562
Cl      12.88939995       3.02202006       3.46096999      -0.55718571       0.96638572       0.18126466
Cl       7.84542003       4.14970006       9.54774001      -0.09548201      -0.31520787      -0.37511897
Cl       6.42369994       1.31008999       6.85691004       0.46492297       0.79714362      -0.37016972
Cl       8.17574998       8.74044999       2.84982004       0.38407728      -0.33578586      -0.27766675
Cl       3.68625995       3.97701006       5.38164006      -1.94379543      -5.15955081      -0.81832133
Cl       9.04482999       8.27812001      11.74770001       0.08640125      -0.16898580       0.18034707
Cl       2.88436999       7.62907997       6.37656994      -0.88366943      -0.60458950      -0.64248028
Cl      12.82819998       9.56456997      10.52240000       0.83702616      -0.03206143       0.16451676
Cl       1.62577997       0.55290799       1.94358002      -0.61696290      -0.13379735      -0.16920577
Cl       9.70055004      11.48690004      10.05329997      -0.09603337       0.26740455       0.53788199
Cl      10.73670001       4.26113005      12.03710001      -0.19954528       0.43943310       0.34817777
Cl       9.45802005       5.42825995       3.95480005       0.17539367      -0.23065952       0.03979283
K        9.50273997       6.29171005       1.15789999      -0.35428539       0.14441604      -0.56703262
K        7.82549004       9.92230003       8.54395001       1.99213028      -1.64727832      -0.68638044
K       11.98080000       7.11579002      12.69310006      -0.03741702       0.72596288      -0.75587561
K        0.81317798       9.83519000       5.98732005      -0.07238399       0.17835400      -0.06234900
K        1.93900996       6.70139004       3.55170003      -0.34162360       0.03518031      -0.01095879
K        3.32489001       8.66425000       8.85799999       0.38852654       0.58100895       0.55796666
K        6.03886004       6.24813003       9.90318003       2.87730089       1.15134930       0.66545177
K        4.23390002       3.59557994       0.72099102      -1.67898988       0.32320649      -0.66733918
K        1.50952005       3.81660998      10.27169995       0.32159182       0.85433489       0.58684769
K       12.28970004      11.57439999       2.13047005       0.31396450       1.12862979      -0.47573582
K        5.91885005       8.65198997       0.48841804       0.22020641      -0.63704577       0.52563882
K        6.76907005       5.82877006       2.60548999       0.04591552      -0.05431203       1.33172489
K        8.43687997       5.57474001       6.68900995      -0.19178296       0.61997113       0.49486935
K        1.01555006       1.63338002       5.40764003       0.85739366      -0.91133544       0.84490028
K        7.35767997       2.57248998      12.07590000       0.10227112       0.21252519      -0.35536666
K        8.96719998      11.33949994       4.01969006       0.45757654       0.26933283       0.08741320
K        2.93841999      11.97640001      10.92470003      -0.88992582      -1.42176679      -0.72678030
K       12.18999995      12.02000005       8.82221998       0.20743709      -0.22570186       0.19675653
K       10.53640007       3.49584997       9.36406006       0.67295498      -0.19700225      -0.18936159
K       10.84850005       2.88597997       5.70371004      -0.19584536       0.06882575      -0.56219274
K        4.27624999       0.29539800       2.19732994       0.94188717      -0.07451855       0.10538384
K       12.01920006       2.59231005       0.87004800       0.18967821      -0.64696070       0.12787930
K        7.77707996      11.76639994      12.61570004       1.00838646      -0.08272190      -0.32426131
K        4.13020001       2.38953999       8.08828004      -0.05646771      -0.13687877       0.28636927
Li       0.68833598       6.53512006       7.17199999       1.08782581       1.35091335      -2.13401790
Li      10.87840003       8.99598996       9.74975998      -0.78353943       0.09983795       0.17197043
Li       4.25528004       5.61696005       5.57913999       1.86210642       5.93283517       1.14625656
Li      10.37920006       7.60625006       3.95401007       0.30095464       0.35029487       0.35649004
Li       5.65992004       9.29636003       5.20742000      -1.75297400      -3.24207850      -0.23347123
Li       6.13920003      12.23579998       6.84180998      -0.96446857       0.63336990       1.76785595
60
Lattice="12.99310009 0.0 0.0 0.0 12.99310009 0.0 0.0 0.0 12.99310009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-559.31959266 stress="-0.008658781335276866 -0.0015293740890916887 0.0025913115546068516 -0.0015293740890916887 -0.007727762663156195 -0.000487161920768929 0.0025913115546068516 -0.000487161920768929 -0.00825812144443445" free_energy=-559.31959266 pbc="T T T" config_type=melt 
Cl       3.72055004       6.44311995       9.52633998       0.39357980      -0.21335752      -0.06635237
Cl      10.46519996      11.07550003       1.28006996       0.11561841      -0.94148015      -0.68817833
Cl      12.55920006       5.61321998       3.10514004       1.43351827       0.88753548       0.30900027
Cl       6.30218002       0.12596603       0.01009993       0.31888155       0.14911615      -0.43674971
Cl       4.57613997       4.19547994       0.50002698       0.80040084       0.02741371       0.29821377
Cl       6.18404000       8.95591002      10.85329996      -0.01229628       0.63288723       0.37657789
Cl      12.43770002       1.96113006       9.67288994      -0.74909416       0.13565678      -1.11555360
Cl      11.73839994       2.38078004       5.98264006      -0.55985191       0.08773419      -0.14044204
Cl       3.70459997       4.49935997       5.87998002      -0.22835763       0.41933394       1.42164184
Cl       1.76347006       2.32516996       0.04690106       0.28349325      -0.17926537       0.19601094
Cl      12.70970005       8.85811004       8.30389001       0.15308294      -0.29699578      -0.71983188
Cl       4.81021002      12.50180005       2.79575003      -0.38647376      -1.82885167      -2.55100012
Cl      12.97906624      11.80490006       3.71033006       1.70772721      -0.22384692       0.57290641
Cl      11.31610002       2.23476995       1.13046000       0.02532516       0.11271331      -0.27062963
Cl       0.53662998       8.78561998       1.81717002       0.05278765      -0.51229738       0.11125472
Cl       7.98458003       2.71762005       3.57817997      -0.27451883      -0.13162264       0.25893619
Cl       7.67923996       3.37915998      10.11559994      -0.06009569       0.24656730      -0.26163336
Cl       5.92378002       7.67035996       3.55526001       0.71431126       0.82004345      -0.05626779
Cl       3.38846005       9.68507006       5.74553002      -0.71564735      -0.59299408       0.48898499
Cl       0.56646304       4.82334006      10.83270005      -0.24771609       0.71551868       0.56382789
Cl      10.46969999       7.31190995      12.88260001      -0.24667809       0.34049499      -0.23122155
Cl       9.27219001       7.08999001       3.80364001       0.39357606       0.55720168       0.30548671
Cl       6.10630995       1.38116004       7.31748997      -0.74939530       0.19465488      -0.26855385
Cl       1.52652997      11.52150001      10.85090000       1.22270049      -0.80196555      -0.08303076
Cl       9.49934006      10.81660004       5.65085995       0.01288330       0.03603409       0.34409975
Cl      10.06790006      11.25120001       9.30745003      -0.83554832       0.30920583      -0.23310646
Cl       2.54359996       1.14209999       6.64949001      -3.21756760      -1.90860530       2.51333187
Cl       5.76661003      10.59570006       7.68225995       0.80729166       0.33447787       0.15231367
Cl       3.30400996       2.61844996       3.58398996       1.05339319      -0.98232211       0.53542063
Cl       8.80850005       7.43333996       8.54876005      -0.03083133       0.25908272      -0.90179920
K       11.43849996       6.23985004       9.12506004       0.36846239      -0.09868511       0.47683850
K        2.16337000      11.00570006       1.38742999      -0.05991501       0.78265648       0.02063707
K       10.21450004       4.53654999       2.97999999      -1.01124894      -0.66890210      -0.84017073
K        9.41965000       4.10174005       6.13982994      -0.36884778       0.13420111       0.05125775
K        5.02511004       3.94047996       8.50918995       0.35176579      -0.04148295       0.07026322
K        3.32104002       8.16272998       3.59429999      -1.40938938      -0.48129529      -0.74634053
K        2.25995006      10.40649999       8.30792995       0.34672726      -0.38961100      -0.09834533
K        4.39197005      12.07070004       5.05777002      -0.42831249      -0.14574698       4.41413331
K        8.68184006       0.36126600       6.98864006       0.39905302      -0.21234249       0.27381246
K       12.06680003       9.99084006      10.78190001      -0.02511816      -0.52286428       0.74929611
K        7.28354004       6.39850996      10.62049999      -0.19047768      -0.56227584       0.70294280
K        8.57869005       2.17186996      12.67049999      -0.04289366      -0.04644018       0.07213758
K       12.31740003       7.98878004       5.04171003      -0.12473864       0.30300720      -0.04939093
K       12.64780001      12.79420002       6.94006003       0.00326074      -0.15565332       0.04279779
K        5.64407002       7.68104003       7.22205006      -0.36009989       0.10597192       0.09892649
K        5.19786994      12.47699999      10.18670000       0.28868160      -0.25811091      -0.03896564
K        7.69798004      10.06480004       3.57533994      -0.07309659      -0.38362992      -0.26004667
K        0.62919204       3.09707003       3.82749001      -0.54794125      -0.38128545       0.09836011
K        8.82310000      10.00809997      12.40050000      -0.84875290      -0.40891400      -0.91776486
K       10.53169994      12.55869996       3.40243997      -0.98280016       1.62372857       0.74363479
K        2.02743996       2.98974001       9.28146994       0.07073841       0.11627155      -0.24011241
K        0.07089997       0.49835204      11.72090005      -1.01682638      -0.10997279       1.55020596
K        5.44742997       5.06343995       3.91153003       0.66088773      -1.25093039      -0.90463693
K        3.23337999       6.49837999      12.63769995      -0.46374444       0.21677664      -0.68323608
Li       5.51506997       1.04182003       1.93050000       1.15099915       2.08744735      -1.30023385
Li       3.21128003       2.96004999       1.63368003      -0.28515535       0.23454995      -1.68919627
Li       3.91411995       1.81458998       5.66551006       3.08711878       2.36742341      -1.79495694
Li      11.04769999       8.41850994       1.86411994       0.22071496      -0.16218417      -0.36220327
Li       8.30159997       9.80603998       8.03742998       0.24369664       0.20370191       0.18341892
Li      12.81175110       3.33923998      12.51060002      -0.12724645       0.45252330      -0.04671933
60
Lattice="12.99310009 0.0 0.0 0.0 12.99310009 0.0 0.0 0.0 12.99310009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-560.25750706 stress="-0.00773754456846959 0.0024250689902464966 0.001023300414395861 0.0024250689902464966 -0.007415254820075828 0.001983178607620337 0.001023300414395861 0.001983178607620337 -0.0060589118103301694" free_energy=-560.25750706 pbc="T T T" config_type=melt 
Cl       8.46347997       5.83858998       6.87601002       0.24709542      -0.06789135      -0.62992089
Cl       2.03068005       5.51990003       1.47689996       0.34197937       0.14275918      -0.86253174
Cl      11.56260005       0.16756396       2.66590998       0.17792439       0.09493879      -0.10640889
Cl       5.29237006       5.24678000       7.66351000      -0.09371444       0.70891994      -0.10955100
Cl      12.62240006       4.86482002      11.72000002      -0.19095763       0.36655215      -0.13527649
Cl       0.08026695       8.92020004      12.06419998       0.30167525       1.49376572      -1.11782849
Cl       8.69459006       8.28044006       8.95469997       0.61713448       0.61457717      -0.77019549
Cl       5.05658999      12.41209998       4.69352002       0.46574632       0.71673840      -0.56578814
Cl       7.97103004       2.82294004       0.73103495       0.04513802      -0.23277203      -0.08716491
Cl       9.99095999       2.90141005      10.01270004      -0.76801044       0.23166572      -0.01217744
Cl       4.24739998       2.90213000       4.39925996      -0.20449898       0.01511768      -0.19218010
Cl      10.36640003       9.70518000       3.56993000      -0.47512588       0.12953205       1.37999149
Cl       4.48315004      10.27979998       6.75514002       0.05788326      -1.60534960       0.55188025
Cl       0.79051099       3.97937000       3.85592996      -1.03493938      -4.41826929       2.20933479
Cl       1.11400995       8.68977001       2.46332001      -0.44864748      -0.03303467       0.88154420
Cl       3.56953995       2.97196999       9.56906000      -0.92195961      -0.44824155      -1.81436101
Cl       0.61330902      10.96540001       7.24593996       0.64952884      -0.31201726      -1.68362887
Cl       3.59679999      11.45420004       1.68623998      -0.70930026       0.06238364      -0.65675534
Cl       1.69391994       5.79688005       7.08280002      -0.79515185       0.28268444      -0.53568238
Cl       6.29249003       0.28802896       9.59404001      -1.14283702       0.96377590       0.19079366
Cl       8.84102996       2.38649999       5.93128003       0.60926297      -1.14627643      -1.20917621
Cl       7.26593997      12.02830004       1.36523999       0.75034660      -0.24355810      -0.09889419
Cl       0.24890102       1.36870005      11.49020003       0.84511246      -1.38490782       1.17321326
Cl       6.32533997       5.58142002      12.16899998      -0.10108101       0.14498071       0.25500226
Cl       5.97737994       7.34087001       4.01927999      -0.39499345       0.38189761       0.50932731
Cl       3.73788999      10.08159999      10.66520002      -0.06618338      -0.31668512       0.17139805
Cl       2.61284006       1.78336003       1.20321005      -0.23826975      -0.09101719      -0.51627814
Cl      10.22819996       7.03881006       0.90548096       0.04022605      -0.33597511      -0.24238911
Cl      11.11079994       0.64640595       7.99392999       0.10565037      -0.10421416       0.24150136
Cl       9.97279005      10.90420004      10.99100005      -0.00979971       0.14317031       0.01008882
K        3.40739996       5.62991001       4.35376995       0.31615901       0.22492611       0.04311804
K        5.36934001       1.26930998       1.71691006       0.09954824       0.27890653       0.63962211
K        3.97137002      12.93929995       7.40300003      -0.07552805       0.31620917       0.55991233
K        2.30447000       3.52582999      11.87880000      -0.54789485       0.50419059       0.88036871
K       10.70029997       7.78757007       6.81712997      -0.00289792      -0.12607539      -0.23466818
K        5.86140002       3.09476999      10.82960002       1.40329274       0.06556885       0.41019959
K       10.17380006       9.97080002       0.78308401       0.26635722       0.02587057      -0.01047942
K        8.11627003      12.22790005       4.48478002       0.00630477       0.27259640      -0.52507867
K        6.30539997       2.96738005       6.14196003      -0.43662440       0.40133743       0.64478525
K        9.40181996       5.69698000      10.84689995       0.34178639      -0.09195496       0.35339449
K        6.99224006       7.93921994      10.93100000      -0.96061828       0.59645838       0.50645255
K        2.94666996       8.05490999       0.55293801       0.64847866       0.43866625      -0.78203001
K        1.01414005      12.00780005       0.04561670       0.25818293      -0.12975818       0.58835604
K        8.16866003       6.01306003       2.91299002       0.52582747      -0.45245879      -0.36801603
K        5.61312994      11.94159994      11.96620004      -0.63447525      -0.33177237       0.21188672
K       12.84589996      10.88670002       9.70112005      -0.63914920       0.26738693       1.64166403
K        9.30158001       0.45978995      12.25950004       0.03748218       0.56146587       0.34740009
K        5.63472005      10.06439998       2.71801998       0.52207098      -0.48966811       0.68201257
K        8.46347997      12.16479996       8.81967996       1.52048705      -0.71477074      -0.69018574
K       11.27379994      11.98500002       5.68792004       0.35463038       0.01241148      -0.74396921
K       11.86709998       3.17453996       1.08746999       0.10572066      -0.13900949       0.20169327
K        2.38952998      10.58630007       4.66932999      -0.03687695      -0.19081426      -0.33214372
K        1.89658996       1.38847997       3.90234002      -0.25352754      -0.45780423      -0.07569837
K        2.54575005       8.13627005       8.39865999       0.48492664       0.65201205       0.24087868
Li      12.97759997       7.29912994       0.22280503      -0.64706681      -1.67463407       1.10954151
Li       0.87323806       5.63874999       3.26594005      -0.35490594       4.73378939      -1.82210869
Li       9.87408004       2.99740996       7.58556998       0.58049644      -0.01390290       1.01544076
Li      12.07840001       2.28500998      10.24550002      -1.02570247       1.06758111      -1.46392281
Li       3.24234003       4.44722996       7.47507003       0.46599058      -0.62471989       0.75082567
Li       6.67531003       7.55793002       6.57050001       0.01829179      -0.73528344      -0.00713820
60
Lattice="12.99310009 0.0 0.0 0.0 12.99310009 0.0 0.0 0.0 12.99310009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-558.61008029 stress="-0.008815311580909072 -0.0023897984905610226 -0.0004137223083863389 -0.0023897984905610226 -0.008698378935926114 -0.0008427332058595472 -0.0004137223083863389 -0.0008427332058595472 -0.00637352311064256" free_energy=-558.61008029 pbc="T T T" config_type=melt 
Cl      11.72980007       6.01521000       4.62064004      -0.71946080      -1.06977236      -1.23300754
Cl       7.23481007       7.99076006      10.53779994      -0.16857188       0.32653087      -0.33700073
Cl       4.31058998       1.02865997       8.16808002       1.45990544      -1.95478068       0.14995226
Cl       7.48393002       5.63060995       0.01489997      -0.06482874      -0.10137794       0.59607024
Cl      12.30500006       7.95037998      10.20760005       0.02343360       1.33064135       0.02469849
Cl       2.56527998      12.33169997       5.09301004       0.91013014       1.54875268       0.59230053
Cl       0.88644295       2.38189004       6.28988998       0.23346517      -0.06562302      -0.04350899
Cl       2.46094006      12.69209998       0.57717105      -1.50947788      -1.24135275      -0.40283000
Cl       2.17618003       6.18520003       9.47914995       0.28140543      -0.35774805      -0.16340305
Cl       3.95980005      10.39869997      11.51150001      -0.33150131       0.42441608      -0.53342077
Cl      10.10890005       3.00130997       4.69307995      -0.48145668      -1.20774710       1.52992356
Cl       1.69412004       1.41253994      10.00880004      -0.27207702       0.31775959       0.52931565
Cl       9.49263003       1.70838997       9.15304003      -0.01574007       0.18452741      -0.69150090
Cl       0.96683698      11.66689995       8.31927994      -0.62447444       0.26243835      -0.33697741
Cl       5.37822002       2.52934003       4.75854997      -0.18344124       0.69452831      -0.05979286
Cl       5.74009994       4.54345998       9.39423004      -0.23522056       0.29202501       0.42302212
Cl       7.72286001       2.07654998       0.39611298      -0.12263804      -0.65691170       0.61621592
Cl      12.04820001       0.65640596       0.47879106      -2.00693885      -0.33757335      -0.28749810
Cl       1.13000004      10.62060003       2.43107997      -0.92246748      -0.94569019      -0.09381192
Cl       9.82320997       7.18154005       8.20228007       0.11018349      -0.80628208      -0.67954986
Cl       5.32050999       7.42417995       2.12198997       0.42699311       0.18057502       0.59307423
Cl       1.64225002       3.48020004       0.54261499      -0.82191742      -1.59027478       0.68941153
Cl       7.45960005      11.09940006       6.85273003       1.65824894      -0.08145230      -0.18412897
Cl      10.71549995       4.46446999      12.74109995       0.59330362      -0.22578442      -0.39860143
Cl       1.90222000       6.46004996       1.57422997      -0.05718628       0.74021437      -0.13784756
Cl      10.97949999      10.22069996       4.90966999       0.20201048       0.92476956       0.43617832
Cl       4.07966998       9.61344001       6.96763997      -1.39615526      -1.50334487      -0.08028322
Cl       5.82945999      12.56190003       3.23399002       0.36136625      -0.81489696      -0.21749258
Cl       6.56560006       5.69236005       5.42341002      -0.18497303       0.38025381       0.08476494
Cl       9.92432994       9.97117994       0.16697394       0.22874346       0.28814395       0.18490231
K        0.26311002       0.33361798       2.62637003       1.18422327      -0.31757974       2.97445827
K        0.03425605      10.13509998      12.37700003       0.08404152       0.12641520       0.00517885
K        3.60530995       5.30815005       3.73584006       0.31625486       0.12869111      -0.07402738
K        0.38078995       6.08198998      11.85670004       0.33657133      -0.92076931       0.68075199
K       11.58019998       1.10875996      10.94619997       0.12704606       0.47731818      -1.15741723
K        3.66573995       4.66478994      12.28050001       1.09978033       0.95531406      -0.76525736
K       11.20459999       3.59769002       2.41850005       0.97945090       0.65514350      -1.20503767
K        7.05329997       9.31138006       3.83357001      -0.55145871       0.04138922       0.60063606
K        9.18767002      12.50109998       2.48775002      -0.48778471       0.48102375      -0.29486746
K        9.85927999       6.73045001      11.27780000      -0.45895248       0.28760010      -0.26743028
K        7.75301998       4.06705004       3.37442997      -0.40501880      -0.03035232      -0.61968377
K        2.08839995       9.25361000       9.09781000       0.35558938      -0.68905571       0.52107816
K        9.02523002       9.69481995       9.06058997       0.05153150       0.50427551       0.05438002
K        4.58725998       0.94365703       0.82518594       2.66062439       1.22161799       0.36773972
K       11.32340006       4.58049006       7.35120005      -0.13137554       0.03887832      -0.22761358
K       11.49070000       0.64023501       6.83188000      -0.09274953      -0.10367619       0.07831621
K        7.44872002       8.40855995       0.31554900      -0.61918606       0.07345683      -0.29171725
K        3.56064006       9.47345001       1.27929999      -0.16525316       0.03519275      -0.09683062
K       10.49000002       8.75827002       2.72524999       0.56386852      -1.13536358      -0.39841334
K       12.74609996       7.90622994       5.92630003       0.50737937       1.41986238       1.31923705
K        6.06947997       7.40745004       7.76815006       0.13423314      -0.23250601       0.49152134
K        8.08152999       3.69144004      11.01829999       0.11373092      -0.10533274       0.08459028
K        6.74661005       2.83741994       7.47681994       0.62322547      -0.42816312      -0.61844593
K        3.42624996       3.42492999       7.99973998      -1.19047874       1.94719548       0.06848087
Li       1.31475997      10.95380003       4.50156997      -0.90219083      -1.25423533       0.05847949
Li       3.72347999       1.23150006       4.70359994       0.00977623      -0.63079341       0.08340894
Li       3.36943997      12.88680003      10.28779996      -0.09358705      -0.35545577      -0.07152860
Li       1.05590000       1.21967998       0.49325394       0.84834820       1.53343684      -1.37129208
Li       5.50853003      10.89340004       6.69122995      -0.26684015       1.50309670      -0.25913598
Li       2.35087005       0.37755805       7.57393998      -1.00146177      -0.16158853      -0.23873293
60
Lattice="12.99310009 0.0 0.0 0.0 12.99310009 0.0 0.0 0.0 12.99310009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-559.92338053 stress="-0.008708345090588905 -0.0017288843090326037 0.0027875162276241347 -0.0017288843090326037 -0.00977711057984251 0.003474602124215443 0.0027875162276241347 0.003474602124215443 -0.007125402063537589" free_energy=-559.92338053 pbc="T T T" config_type=melt 
Cl      12.96450007       7.91959997      10.37720003      -0.46987358       0.06755998       0.11046018
Cl      10.12539999       1.67445004       6.87418995       0.57440442      -0.88117577       0.12454268
Cl       6.78690997       3.62832996       7.33759004       0.67803221       0.05327519      -0.53701385
Cl      12.63010003       4.45352005       9.12290994       0.17506034       1.11594689      -0.40864378
Cl       0.14029495       0.99708102       2.11731999       0.50617908      -0.04729133       0.51644498
Cl       1.20257001       5.29261004       5.82762004      -0.43237739      -0.19958135      -0.13024313
Cl       0.83027196      12.74660006       8.60838006      -0.77078922       0.09896846       0.09930808
Cl       7.18950001      11.30549999      11.87069997      -2.91707629      -2.36810008       0.63607575
Cl      10.56150001      12.84929999      12.42030005       0.34510297       0.12730943      -0.33559597
Cl       6.13650994      12.44779995       8.55414998       0.94952108       0.55543373      -0.26155897
Cl       8.98448002       4.05299995       2.75680997      -0.20325027       0.28650379       1.28887694
Cl       8.96071006       2.38114995      10.10630000       0.09900880      -0.01816102       0.60373502
Cl       4.61051997       6.98270001       2.81485002       0.08281028       0.31858114       0.34869350
Cl       0.17459985       3.42563006       0.05170357      -0.13985036       0.53830012      -0.10626346
Cl       3.95096994       3.66992997       9.11854998      -0.31515497       0.22307603      -0.27121448
Cl       2.91224006       9.98700996       7.26007996      -0.61691765      -2.20031418      -0.53025918
Cl       3.17985998      11.89199995       2.60027001       1.03585915      -0.63769831       0.89334589
Cl       9.59115996       6.42520000      12.76130007      -0.26037469      -0.25626882       0.16786344
Cl       7.93399997       9.36430004       3.06402000      -0.11397811      -0.17530856      -0.19088952
Cl      12.47609996       8.04833002       4.80894995       2.02622559       3.75632355      -2.58597717
Cl       9.66464997       7.10732995       6.19919996       0.06699143      -0.79669378      -0.17942979
Cl       4.46690996       2.37533996       1.13926997       1.22937752      -0.72560125       0.24910725
Cl       6.60367997       8.44818995       8.68619002      -0.20055789      -0.97826495      -0.70854787
Cl       5.48935000       6.28577000      11.57810004      -0.57637396       0.04832263       0.06511921
Cl       2.96064001      11.54889999      12.02360005      -0.48473336      -0.21051491      -0.02285802
Cl       7.55430000      12.97569999       2.71110999       0.01864239       0.36680180      -0.32580833
Cl       2.96893000       1.96730997       5.56589002       0.64533803      -0.12176969      -0.51192395
Cl       1.13165003       8.28923002       2.00094001       0.59896389      -0.15924128      -0.73962263
Cl      10.39300003      10.72460005       9.39955994       0.97836173       2.32548277       0.77677111
Cl      11.65339999      11.51169997       4.30502997       0.26047520       0.02544636       0.19903093
K        3.48228998      12.38830000       7.72802996       0.63397929       2.17256909       0.05884615
K        9.69837006       3.01871995       0.41035406       0.39010295      -0.35969633      -1.45868230
K       12.94000002       0.93937996       5.66192995      -0.24273240      -0.13687878      -0.47082269
K        6.82074998       7.27130002       0.86271495       0.59662518       0.05253624       0.32532921
K        2.41045004       9.54852999       4.29426999      -0.32316376      -0.57532668       0.22016496
K        9.28308004       8.67772995       8.54077995      -0.48195703      -1.53415341      -0.45233645
K        5.61413002      11.25240005       3.63807998       0.87601156      -0.60034740       0.79297942
K        7.63150994       5.02279000      10.01419997      -0.40994526       0.09465528      -0.13547286
K        2.33681997       3.29656999       2.45427005      -0.92705390       0.27168935       0.79712157
K        5.07404999      10.25640006       9.96018999      -0.44688622       0.08377803       0.35808983
K       12.45130003      10.48250001       6.96078000      -0.03786048      -0.22088220       0.25291163
K        1.55961001       2.46341005       7.91423005      -0.01267482       1.04474216       0.40043515
K        2.12192994       6.61511000       8.59459997      -0.13034614      -0.20738297       0.01311038
K        5.35169006      12.38599996       0.38267603      -0.48468520       1.26380514       0.78292857
K        3.11430005       3.53755002      12.05320002      -0.18714459       0.55373594      -0.85597982
K        6.93020996       7.57154003       5.13767005      -0.21452866       0.00755036       0.11835898
K       12.01709999       2.09889006      10.11429998      -0.56810958      -1.11017339       0.75482341
K        9.18951998       4.00250006       5.85811003       0.09762132       0.70769715      -0.10983278
K       12.96999433      10.99380007      11.13560000      -0.11937041      -0.08390081      -0.15409532
K       11.58709997       9.12188998       2.45135999      -1.25248569       0.63258323      -0.36161917
K       10.42550006       0.17243598       2.21627999      -0.30134220      -0.25087834       0.55926834
K        3.63409006       8.94943997       0.60231997      -0.25991887      -0.36693693      -0.10427218
K       11.82879995       5.26163995       3.09107995       0.31914564       0.13397711      -0.31314881
K        6.44641006       2.25942994       3.95395004      -0.23414862       0.31330848      -0.07788517
Li       8.79360995       0.73104495       8.60071998      -0.39210801      -0.02145171      -0.36624307
Li       8.78689005      11.98379997      11.38689994       3.88360731       1.37757008      -1.34155070
Li      11.90089997       6.79645002       5.88627999      -1.31570853      -3.87105674       3.66157006
Li       4.79650996       3.88351002       6.85715002      -1.24534383      -0.30997104       0.50604689
Li      10.99560000       6.62161006      11.20619996       1.36464033       0.13420892      -0.45970451
Li       1.65536006      12.47711914       1.51367004      -1.34326574       0.67328355      -1.17386361
60
Lattice="12.99310009 0.0 0.0 0.0 12.99310009 0.0 0.0 0.0 12.99310009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-560.05603168 stress="-0.005394234173561097 -0.0028329589890867548 0.00014110315745783226 -0.0028329589890867548 -0.008862379319272614 -0.0005544063734724046 0.00014110315745783226 -0.0005544063734724046 -0.00902787270905108" free_energy=-560.05603168 pbc="T T T" config_type=melt 
Cl       6.98271001       2.02596005      11.59399995       0.18157588       0.29277002      -0.10247252
Cl       5.31082000       4.91222001       2.40130004      -0.16906054      -0.23084962      -0.42979635
Cl       2.82784000       9.60853005       5.47387002      -0.17953296       0.35579744       1.26000661
Cl       7.01945996       1.05836999       6.62449999      -0.48338877       0.33353553      -0.22077848
Cl      10.04790004       3.97558004       9.73994005       0.49653741       0.19138032       0.45252019
Cl       5.08476994       4.01527006       6.58842997       0.44948206       0.97380214       1.06603963
Cl       7.01564999       7.21589003       4.91288994       0.10650837      -0.12004125       0.29181832
Cl      11.55159996       7.57145999       6.01235996       2.19813362       1.07185770       0.14086618
Cl       0.85713805       1.22753002       4.54818999       0.27513221      -0.30095649      -0.16051999
Cl       8.44854999      10.50050000       4.16208001       1.12964838      -0.18814771       1.05604344
Cl       3.06160004       9.22185006       2.26452999      -0.24285348       0.62483435      -1.07292644
Cl      12.06870001       3.90814001       6.40791995       1.01106874       0.29566251       0.48521100
Cl       1.92611002       3.56166002       8.50395997       0.66481005      -0.34163800       0.30717760
Cl       1.65124995       5.95784000       4.75761005      -0.25606809      -0.04665954       0.30215569
Cl       9.59437004      12.43539998       8.31039994       0.48392560      -0.24437667      -0.29951924
Cl      12.82229994       3.63399001       2.29340001      -1.09421475      -0.90982467      -0.44205420
Cl       4.79174994      10.58189995       9.76038002      -0.06720972      -0.29601682      -0.17333361
Cl      10.41770004       2.08228994       4.96779995      -0.65103017      -0.76535898      -0.37688691
Cl       1.10675006      12.19320002       8.56380996      -0.59610930      -0.17405532       0.07229104
Cl       2.65609006       0.00826517       0.40221804       1.22426278      -0.10998256      -0.47768107
Cl       9.73786999       6.34950999       1.31587998       0.18451888      -0.31978578      -0.14643729
Cl       7.44530998       9.27795998      12.49290004      -0.06456731      -0.29626323      -0.04342898
Cl       9.00304002       8.31755004       9.15147995       0.28686205      -0.08170208      -0.29856443
Cl       8.71321996      12.80480006       0.81151902       0.18785669       0.08889180       0.33360492
Cl      12.41880000      11.07679999       4.66918005       0.20518471      -2.01997438      -0.48636151
Cl       1.19938995       4.47614000      12.40830001       0.68932343      -1.05120154      -1.96749351
Cl       1.03741004       6.65925003       9.84717003      -0.01643939       0.94235976      -0.74888484
Cl       5.63859005       5.26466006      10.27430000      -0.74920435       0.15714986       0.10237977
Cl       4.76043995       1.06384996       3.14997001      -1.34080510       0.54035555       3.06895373
Cl      12.43369997       9.36791005      12.23280000       0.08276288       0.35340058      -0.21820868
K        7.17802996       5.66497995       0.03389991      -0.38084525       0.25248785      -0.16699746
K        8.61490000       0.21033906       4.13317998      -0.41760383       0.25867255      -0.53089924
K        0.17686000      12.06120000       0.42324205      -1.14293795      -0.76032801      -0.00545512
K       10.77050000       8.07889005       3.53139000      -0.76565304       0.56244481      -1.25572277
K       11.40290004       6.91636997      10.84779998      -0.73605266      -0.20613653       0.13606430
K        3.78703002      12.71729997       8.15018995       0.42275339       0.45651205      -0.32615165
K        2.68639997      11.99690001       3.71426996      -0.04708791      -0.44707337      -0.30742454
K        9.97168005       3.35317001      12.88439994       0.07316815      -0.16921716      -0.15522991
K        1.76369003       9.53413000       9.86005996      -0.04094096       0.13736923       0.33585663
K        0.99165406       5.77272003       1.59574005       0.69098072       2.87963256       1.06215626
K        6.99971005       9.48797006       2.30940998      -0.97184789      -0.81587239      -0.73780075
K        9.97344997       5.65524006       6.18734999      -1.92244861      -1.32653880       0.46012182
K       11.50339998       9.83291998       7.45277997      -0.51318113       1.12734428       0.72318234
K        7.48326997       3.46678999       8.60790997      -0.30827582      -0.45273292       0.12295416
K        6.97899996       3.67541006       4.61967998       0.12615108       0.01786155      -0.47645917
K        7.10032005      11.25410007       6.58339995       0.27199945      -0.56139567       0.62327590
K        2.27810999       2.55777998       1.29254996       0.24162279       0.47259424       0.76692214
K        5.85565005       0.79964306       1.01548003       1.59910479      -0.61201863      -2.65277720
K        4.27151998       2.71174003      11.53090000      -0.41769847       0.40313978      -0.36478701
K       12.39629998       1.80361003       8.50230998      -0.46726226       0.08406218       0.05684812
K        4.01201997       7.45842002       4.07565004       0.87448593      -1.01668101       0.12136885
K        5.23389994       7.13687003       7.91847997       0.42702162      -0.12124857      -0.28799259
K        3.06656002       2.79983000       5.36042999      -0.36255901       0.21575757      -0.38108557
K        9.29365006      10.82320001      10.69160005       0.06849072       0.05358688       0.42913235
Li       0.88287699       4.90771998       7.09259006      -0.12673489       0.53308744      -0.38797940
Li      12.15619996       2.46371006       3.78750998      -0.11664441      -0.01541443       0.98317272
Li      12.15250005      12.99173672       5.13808999      -0.59999385       1.45043738       0.56800256
Li       2.66689005       5.38457001       9.84356002       0.42428003      -0.94183185       0.25103071
Li       0.70628205       8.81609997       4.97839998       0.30657849      -0.12448595       0.15465545
Li       5.77143995      10.28820002      11.67960006      -0.13597902      -0.05897797      -0.03170199
60
Lattice="12.99310009 0.0 0.0 0.0 12.99310009 0.0 0.0 0.0 12.99310009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-561.27206967 stress="-0.006752621308753028 0.0017256616555916733 0.0012246748420409856 0.0017256616555916733 -0.0017222770661964714 -8.865563144285273e-05 0.0012246748420409856 -8.865563144285273e-05 -0.008283111953895264" free_energy=-561.27206967 pbc="T T T" config_type=melt 
Cl       2.16725000       8.24973996       3.25659996      -0.04734275      -0.14549265       0.29999657
Cl       4.47123004      12.61579995       1.73631994      -0.92524523      -1.44147754       0.76113845
Cl       9.59554006       7.43354005       3.39324995      -0.98076048       0.14981014       3.56267675
Cl      11.87459998       5.86995000       0.44691002       0.55464641      -0.52300037      -0.03924913
Cl       0.22029697       3.34768003       8.21374999      -0.32654132      -1.04994198       0.47471939
Cl       0.76275396      10.30210004      11.73560006       0.19958687       1.37563643       0.10410620
Cl      12.39769998      12.26649995       8.77819000       0.23202682       0.16670609      -0.19239910
Cl       5.79109007       5.89033994       7.04172000       0.58255504       0.64928647      -0.54408517
Cl       6.72464002       4.22626995       1.39192002      -0.22280757      -0.31657477       0.04602486
Cl      10.97210003       3.44768000       2.98013005      -0.17363679      -0.21681184       1.06525534
Cl      11.53549995      10.63280003       3.80429005       2.10059079      -0.43213400      -0.47534457
Cl       9.58298002       8.46613004      11.48970005       0.41862114       1.10264663      -0.06780543
Cl       5.71853997       1.09434996       6.31868997      -0.00908504       0.04359917       0.52916330
Cl       2.08169005       0.33467198       4.54782995       0.04755803       0.01624788       0.32225428
Cl       6.06322002      10.17829996       5.91950997      -0.39093598       0.09263543      -0.15354262
Cl       2.14362998       4.73264004       5.60480006      -0.57988125       0.35337865      -1.00844391
Cl       2.84588001       0.94414206       9.98629001       2.41515767       0.55648727      -0.75559158
Cl       2.90884003       6.67040006      12.77040004      -0.05506540       0.76317174       0.62899960
Cl       6.50395001       9.72899999      11.10809998      -0.70097021       0.27408931       0.19344117
Cl       3.36940995       5.05592006       9.28926996       0.65909379      -0.89451520       0.94492667
Cl       2.40651002       9.67599997       6.40170002      -0.41279959      -0.47715265      -0.02268251
Cl       0.06843947       6.86474994       9.01739999       1.44118576      -0.80740235       0.36943913
Cl       8.31527001      11.75530007       1.88317003      -0.18886939       0.23745211      -0.45772021
Cl       2.68598004       3.13021997       0.49205494      -0.33298717      -0.98742803       0.29730253
Cl       9.42068997       2.05886000       7.10969002       0.38836195       0.02450423      -0.31922525
Cl       9.44191004       5.85409997       9.67610001      -0.08197568      -1.08649263      -0.43799168
Cl      11.58980006       1.76059001      12.90379994       0.10286649      -0.02549242       0.28518849
Cl       9.55235996      10.31779999       7.86922001      -2.82785471       2.00973327      -0.70133242
Cl      11.73450006       7.42587997       6.13323997       0.42524698      -0.23530807      -0.53375079
Cl       7.57615998       0.68725704      10.97719995       0.30495201       0.03538107       0.22303096
K        9.39171003      11.23470007       5.07001004      -1.53723491       0.12237453       0.46245397
K        8.64784998       1.96308994       1.75458005       0.44562092      -0.13650669      -0.38893403
K        9.31896998       7.23633000       1.03062998      -0.90653342      -0.54187070      -3.13792883
K        5.62491000       1.41889006       3.51317003      -0.08570870       0.26748488       0.16730133
K       10.87099994       3.30191002      10.49149994      -0.25406046       0.30416495      -0.55456608
K        5.15645002       1.11823999      12.75430003       0.17871191       1.16717794      -1.60836641
K       12.31070000       1.42105003       5.80382006      -0.06143938      -0.01977508       0.32352349
K        7.61402006       7.92329001       9.16957999       0.13744567       0.33609560      -0.51133773
K        2.75413002       9.67057002       0.79139102       0.29688073      -0.05385603      -0.08485750
K       11.27870003       8.80000997       8.58102997       1.43651778      -1.01806515       0.92490733
K        2.89392005       5.02959994       2.56586000       0.30831107       0.71898265       0.29234716
K        7.18527998       3.31147996       8.29020996      -0.42760658       0.10178499       0.22971191
K       12.22260003       7.11926996       3.21749996       0.97864153       0.05107777       0.03861679
K        9.41097996       5.00677002       5.68649002       0.20157196       0.30058571      -0.11629541
K        2.38849002      11.75850001       8.28432006      -0.29151619       0.01920292       0.22586023
K        1.52813994       4.68732998      11.44899995      -0.59486577      -0.09121215      -0.78075864
K        7.12792999      12.21219996       8.44441000       0.07996667      -0.14991327      -0.17500727
K       10.81000006      11.81139998      11.18030004      -0.36830918      -0.29988421       0.07735985
K        3.08158004       2.59981006       7.03488004       0.20287069      -0.46428564       0.65720054
K        5.30776000       6.26655996      11.39189995       0.20576572      -0.14004555      -0.04309419
K        1.04589999       0.69139196       1.72264002       0.21320627      -0.18003344       0.27436006
K       12.52959996       7.93981996      11.42500000      -0.38483076      -0.55212254       0.85927114
K        2.94566000       6.78537003       7.35600996      -0.26448075       1.03386327      -0.42060003
K        0.66519800       0.71389705      11.14060001      -1.48618441      -0.43609513       0.52949862
Li       5.50258997       8.13472998       5.36468004       0.22075944      -0.49088240       0.32010769
Li      12.42660002       3.97484996       1.57124000      -0.11048091       0.00079842      -0.86847311
Li       3.75461003      10.81520003       5.16398004       0.34343450       0.46233853      -0.38267353
Li       7.55634005      10.90800000      12.70729996       0.09172039       0.12573467       0.28903642
Li       0.12214606       5.33316995       7.56321002      -0.06266993       0.35277119      -0.84530578
Li       0.20209104       9.40144004       5.20472003      -0.12119504      -0.00143141      -0.15185736
60
Lattice="12.99310009 0.0 0.0 0.0 12.99310009 0.0 0.0 0.0 12.99310009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-561.28238226 stress="-0.008176495699618189 0.001622766882406377 0.0012386532634642226 0.001622766882406377 -0.008019397801214002 0.0020758077835010187 0.0012386532634642226 0.0020758077835010187 -0.008084879489461091" free_energy=-561.28238226 pbc="T T T" config_type=melt 
Cl       7.00987001       2.90444004       3.70680997       0.08752061      -0.10637865      -0.76978310
Cl       3.39865002       9.64792006       3.73397997       0.33282587      -0.42642666       0.55567182
Cl       1.69031995       0.73772198       4.22920003      -0.37847878      -0.44982788      -0.19119887
Cl       4.51461998       7.01517002      12.39920004       0.03326786      -0.85268680      -0.77514276
Cl       7.34944000      10.97109995       9.02334005       0.59621051       0.09821801      -0.32771146
Cl       4.88319005      12.14949994       1.84180000      -0.33286064       0.10119211       0.05209682
Cl       0.19797794       7.12414004       4.72997996       0.10206728      -0.01271355       0.03913551
Cl       3.75538000       3.14203005       0.08096325      -0.86514715      -0.63899783      -0.60030876
Cl      12.67530004       5.89733997       9.68713999      -0.23594714      -0.06000751      -0.43223779
Cl       0.43788203      11.55640000      10.79920007       0.66306511      -0.18595283       0.06029645
Cl       4.33185007       5.29492996       3.41588004       0.89429276       0.85031006       0.55405803
Cl       8.88303003       6.14258006       0.64690203      -0.77799362       0.52334600       0.35587888
Cl      10.99439996       3.44863006       3.99095997       0.15666525      -1.16912288       0.44880489
Cl       9.41350998       7.34558001       4.39090994       1.24153889      -0.36879056       0.94275483
Cl       9.14645006       3.89775995       7.86726000      -1.13396159      -1.94205503      -0.03080661
Cl       3.55036005       7.80828003       7.11440002       0.04691344      -0.75311999      -0.73525856
Cl       9.68432997      10.52119996      12.46070002      -0.52486473       0.49316413      -0.14386462
Cl      10.61810003      11.90869998       6.95551000       1.20711787       0.27077829       0.75676000
Cl       5.79746006      10.53699996      11.68960007      -0.56475577       1.23356787       1.31834938
Cl       6.50400003       9.13875996       5.22418006       1.18230690       0.31151379      -0.32585934
Cl       7.53129000       7.26253994       8.36469005      -0.00562638      -1.55257823       0.55495721
Cl       0.13366106       6.46830006       0.39985694      -0.11892331      -0.24231328      -0.83738432
Cl       5.74478006       0.07533633       6.17762999      -0.96707746       0.49113262      -0.17825844
Cl       9.23423002      11.57370005       3.49213004       0.65394297       1.04007117      -0.34907054
Cl       7.97380004       1.68200995      11.89320000       0.21677909      -0.35050997      -0.38041070
Cl       3.45778006       2.78756997       7.57735002       0.03627154       0.46070709       0.07087944
Cl      12.84610005       1.83922997      12.78659997      -0.10614470       0.11888253       0.18670927
Cl       2.44708994       9.59690005       0.35949205      -0.70621646       0.68994056      -0.32590550
Cl      12.60770005       9.53288006       2.51398998      -1.42047616       0.74549790      -0.27995259
Cl       3.98609003      11.70189998       9.38681994      -0.12988838       0.47868337       0.48602647
K        8.73382000       9.02174995       2.53503997      -0.24385618       0.32194998      -1.34369749
K        7.24191002       0.70403503       1.54561995       0.38162295      -0.08640529       0.60070770
K        6.14656998       4.10365004       0.81886298       0.93785772       0.91615436       0.25738222
K       12.04119998      10.07370005       5.26378004      -0.18121707      -0.67836507       0.07480420
K       10.03480001       6.27302000       7.78070997       1.58679271       1.52017345      -0.20549724
K        2.10885005       4.95717003      11.11990005       0.11115571      -0.01948294       0.37465406
K       10.30329995       4.62420002      11.94630007       0.80117713      -0.49069835      -0.83168209
K        3.38259003       2.87784005       2.85243997      -0.21218449      -1.10297941       0.44950685
K        7.08099996       8.42264006      10.93160002       0.88091433      -1.18079586      -0.00118274
K        0.98004602       5.20392005       6.71861005       0.32097295      -0.11161696       0.32893132
K       11.13700001       0.19710598      10.99639999      -0.29212933      -0.08628905      -0.15527867
K        6.25019996       3.36022006       6.32533997      -0.80478926      -0.67910658       0.53749268
K       12.53230006       9.37066004      12.61630006      -0.23144860      -0.27758191      -0.35440293
K       11.53700000       0.77875003       4.99301995      -0.25549145       0.29545831       1.10405223
K       11.95760004       0.68677096       2.28801996      -0.08160744       0.04708636      -0.79728990
K        7.60620003       5.62219003       5.27200000      -0.33389204      -0.05282506      -0.24273366
K        2.65028994      12.98443876       7.33587001      -0.04288785       0.38464246      -0.39858819
K        2.02004000       6.45256996       2.42059999       0.10829519       0.25797808      -0.00735738
K        8.11204000      11.73179997       6.09777998      -0.59742362      -0.49661321      -0.09023322
K        2.23261998      12.84460000       0.47535698      -0.18525319       0.34016022      -0.18119544
K        6.81270998       1.26100999       8.89836994      -0.21790724      -0.32755718       0.15030524
K       11.30899994       5.51359006       2.33762996      -0.26651779       1.00172438       0.20103600
K        3.15324998       9.09473999       9.35536001      -0.49221089      -0.24983109       1.07407629
K        4.99631006       9.07973998       1.08135998       0.86953170       0.20796514       1.01738198
Li       7.77953994      11.84310003      11.44399994       0.04896739      -0.48507641      -0.22227508
Li       4.53286996       8.73559005       5.43268995      -1.07560239      -0.44724207       0.08395398
Li       4.18044004      11.62479997       3.90328007       0.45918936       0.95030175       0.20481538
Li       6.92338001       8.85104998       7.38821999      -0.52384599       1.73411380      -0.44793227
Li       3.56638002      10.91660000      11.61880001       0.05727971       0.04438920      -0.28353004
Li       1.58292002       9.37538004       2.80433003       0.29208432      -0.04515490      -0.59544885
60
Lattice="12.99310009 0.0 0.0 0.0 12.99310009 0.0 0.0 0.0 12.99310009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-559.50362638 stress="-0.00831366880347378 0.001103256848871877 0.004915798419319938 0.001103256848871877 -0.006148938027244993 0.005237301974741186 0.004915798419319938 0.005237301974741186 -0.009489912574312856" free_energy=-559.50362638 pbc="T T T" config_type=melt 
Cl       0.68426395       8.63226995      12.64090002      -0.90736961       1.49567187      -1.40762308
Cl      11.54159995       6.52080998       8.26692997      -0.22868954      -0.40950571       0.78558143
Cl       7.12435001       4.09563005       3.67957007      -0.55153959      -1.65547190       1.34849314
Cl       3.26874006      12.50210006       0.21001397      -0.05180804      -0.30776888      -0.05139886
Cl       9.93641002       8.15054999      11.97250000       0.76546256      -0.35281183      -0.24715845
Cl       8.08483998       2.86923004      11.00180005       6.47377540       1.24306075      -7.76580118
Cl       7.43662007       1.04949999       0.42995195      -0.38845639      -0.70930364       0.72875285
Cl       7.01126001      10.95540000      11.57209995       0.51272028       0.28195826      -1.04139247
Cl       1.17502997       4.27885004      10.08190000      -2.21563031      -0.82409527       1.52078570
Cl       4.75603996      10.53830005       8.42987994      -0.86053394       0.21523901       0.90773638
Cl       2.32965999       7.60356997       3.43261996       0.05168686       0.33366548       0.42898061
Cl       7.48704005       5.31667001       0.35914800      -0.21083412      -0.26389691       0.20744178
Cl      12.77189997      11.30319995       3.52787004       0.81774659      -0.54599471       0.31214295
Cl       5.19079000      12.04300005       5.09676998       0.48094346      -0.01771764      -0.09080385
Cl       5.03951004       2.24236000       8.68741995       0.39482155       0.65347229       0.36269833
Cl       9.65378995       1.62437996       7.72661995      -0.48207082       0.43012493      -0.26527665
Cl       1.35376994       5.31987996       6.45642995       1.06130351       0.23962551       0.60745019
Cl      11.83620005       5.48912002       2.93782997       0.04166766       0.27111124      -0.03903432
Cl       9.92657996       8.03847995       5.72293996      -0.14097680      -0.03257537       0.53086815
Cl       2.37314997       1.66523001       5.26189994       0.20659791       0.15558944      -0.35996540
Cl      12.46139996       0.29954696       8.55620003       2.27148539      -0.03890704      -0.94991487
Cl       2.01438995       3.42686999       1.76579998       0.18399579       0.65214219      -0.18992378
Cl       6.75229999       7.44717995       3.42076999       0.31308135       0.97796236       0.03770208
Cl       6.04764000       6.00462998       8.24163006      -0.21379424       0.31494131      -0.61250897
Cl       4.83525006       8.39678002      12.40310005      -0.52022042      -0.44598706      -0.55913656
Cl      10.78599999       1.91870006       3.67512006       0.11834647      -0.18025967      -0.17211962
Cl       9.20756999       9.87800006       8.68858997      -0.90078773       1.42888564       0.77476541
Cl       9.17314997      10.42279996       2.06642004      -0.86709905       0.41450056      -0.72761549
Cl       0.33015506       9.43801003       7.95385004       0.56296952      -0.78048561       0.60651792
Cl      12.58190005       0.63088998      12.42670006      -0.31867814       0.54669637       0.57098777
K        6.30455997      10.14900000       1.05460004       0.28605921       0.08034521       1.25951622
K       10.42050005       8.18363003       3.00938999       0.17174376      -0.41908220      -0.56437361
K        5.12598003       3.55755004       5.75971004      -0.13445427      -0.61984101       0.84593178
K       11.24859996      12.13739998       1.50622006      -0.35178812       0.57857368      -0.18604782
K        2.96529998       9.53201004       1.28095998      -0.30726985       0.67986407       0.26938841
K        7.96796003       6.34080994      10.66259997      -0.14117340      -0.17077239      -0.08210000
K        0.52984498       3.54568994       4.53393994      -0.82523291       0.05982722      -0.89546468
K       12.24180006       3.31908001       8.00743996       0.24225197      -0.01374015       0.29891866
K        7.40813997      12.84910003       8.88092995      -0.19226276       0.26676619       0.13710347
K        1.16083994      12.10709995      10.81699997       0.57643607      -0.52063591      -0.38631681
K        3.67878996       0.43913599       7.26564997      -0.26409293      -1.36816271       0.12343026
K        1.55834006       6.57797001       0.86349298       0.26213571      -2.16841175       0.61486641
K        3.26542994       5.05622995       9.07986003       2.20669569       0.49753591      -1.06016200
K        9.39304000       4.64950005       6.35951000      -0.18525435       0.10881822      -0.13581144
K        1.46906005       0.78559505       2.51769003      -0.05450681      -0.83264189       0.09533840
K       12.56330003      11.45090006       6.36945999      -0.58523404       0.86201060      -0.55503870
K        4.55572001       5.96764005       4.02894998      -0.26661240      -0.22848245      -0.27083473
K       12.97479996       7.51279004       5.33256006      -0.52793304       0.19430054      -0.01880339
K       10.64560006       0.28161999      10.27369998      -1.90426140       0.25858081       1.08953741
K        7.51701994       1.01538998       3.27573997       0.27656956      -0.17003289       0.39838391
K        4.15385005       2.32899994      12.96302925      -0.08638448      -0.11232396      -0.04372798
K        3.10816003       8.33741000       7.05507002      -0.20279000       0.08060695       0.03610126
K       11.38990005       3.05261998       0.96715102      -0.14080928       0.35602418       0.01757557
K        6.80642002       9.57908002       6.92797996       0.89394283      -0.47023410      -0.89992836
Li       4.76540006       9.99834994      10.75370005       0.68486657       0.03697799       0.08922599
Li       7.00773005       2.68822005      12.20400002      -5.23557242      -0.29456087       6.65250906
Li       7.71322004       5.65391996       2.58648004       0.36762066       1.04785281      -1.30225629
Li      10.49250002       8.49150998       8.03761994       0.91124333      -0.91113931      -1.06285520
Li       9.23988007      10.15559998      12.24629996      -0.77728043       0.09105526       0.18448691
Li      12.06589999       7.66994002      10.60719999      -0.09476806       0.01105597       0.10017614
60
Lattice="12.99310009 0.0 0.0 0.0 12.99310009 0.0 0.0 0.0 12.99310009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-558.97586257 stress="-0.005921865290521159 0.003066403763616821 0.0014097503175849611 0.003066403763616821 -0.014193831787811842 -0.00236634827944682 0.0014097503175849611 -0.00236634827944682 -0.011791799814533908" free_energy=-558.97586257 pbc="T T T" config_type=melt 
Cl       2.30681994       4.20986006       2.71455004      -0.22542164      -0.48967614       3.94164407
Cl       2.99596994      10.98689995      12.84990002      -0.65226576       1.47795309      -1.57769789
Cl      12.12539995      10.64640004      10.82110007       0.57353352       0.31330793      -0.40297740
Cl       6.02434999       2.92386005       6.51868002      -0.08857169      -0.13448439      -0.03834748
Cl      11.75330004       8.79058997       3.07373000      -1.14606398      -0.67183535       1.77132254
Cl      11.23229998       5.33175007      10.19099994       0.29917671       0.31857765      -1.29796665
Cl       6.62393999       9.47016003       2.54596002       0.72278206      -0.40250424      -0.49397576
Cl       1.65284005       7.66451995       9.94941000      -0.80193508      -1.58666947       1.13925321
Cl       4.57127002       1.73468995       0.68521504      -0.81254505      -0.69298124       0.05020228
Cl       3.71582004      12.06969996       7.46951002      -0.76056033       0.32605269       0.71501127
Cl      11.37300005       9.94414000       6.54464998       0.11560671       1.03770536       0.75178422
Cl       0.02163585       1.16218005       7.66088006       0.83991428       0.67254454      -0.00621008
Cl       2.15400003       8.53724998       4.54214001       0.32668155      -1.59775260      -0.16847050
Cl       4.61173002       4.03920998      10.02350004      -0.69292328      -2.10024238      -0.33282104
Cl       1.66354000       5.56326996       7.72854995      -0.93384682      -1.62792652      -0.36647816
Cl       6.76829995      10.63849998       9.70535996      -0.27350447      -0.74040984       0.40313062
Cl       6.93044994      11.65449999       6.51744997       1.55311560      -0.84767266      -0.03963300
Cl       9.35494995       1.62191998       5.83859999      -0.24246732       0.74296436      -0.36755699
Cl       9.89832997       9.17751007      12.54610003      -0.97861339      -0.64485294       0.34546965
Cl       0.24112504      11.87310006       2.66625001       0.34752495       0.20000200      -0.35614847
Cl       9.92183994       4.57203999       2.17283002      -0.03489304       0.20045191       1.33590019
Cl       4.36473002      11.21429999       4.10532004      -0.52448301       0.95410912       0.05618102
Cl       3.00893004       6.79822995       0.68110597       0.84985897       0.38579114      -0.82821795
Cl       6.34068001       5.28440996       1.98457001       2.22909561      -2.36088612      -2.67531532
Cl       9.00026001       1.60052996      10.46180005      -1.24500510       1.01739520      -0.73561659
Cl      10.49069995       6.65156994       6.50892000      -0.04811090      -0.67494285       0.16494416
Cl       1.00908001       4.00099000      12.31149999      -1.07357989      -0.41623945      -1.56633056
Cl       4.48725001       7.96384005       8.31081000       0.86861693       0.89969312       0.28086826
Cl       7.16489004       6.60645998       5.23806994       0.29718974      -0.39595360       0.68742945
Cl      10.21129997       1.24470001       1.19076006      -0.32914116      -0.00478145       0.25080691
K       12.41289996       9.32786999       0.63057802       1.19992070       0.94088182      -1.45411326
K       11.55170001       8.16599995       9.27623996      -0.12499052       0.17186708       0.07236841
K        0.87222005       6.95351997       2.37719005      -0.13847421      -0.44417200       0.76737970
K        9.07555997       7.40176997       2.29667999      -0.52349203       0.25033823      -0.02405580
K        9.46771005       4.44293003       7.84857995      -0.20021850      -0.91231678       0.40893537
K        3.69204994       9.66104998       1.93401996       0.25220543      -1.35653928       1.65422764
K        5.49693005       6.13519998      11.04730007       0.28613422       1.59034314       1.09640185
K        1.37215998      10.92099999       5.33731995      -0.12956772       1.29652674       0.13838181
K        9.54567995      11.22130002       1.86103005      -0.01920955       0.11632392       0.06848541
K        5.10568000       6.69794998       3.42401995      -2.67249347       2.40518093       1.71314377
K       11.44489997       2.94085996       4.21493997       0.38340666      -0.43429180      -0.42220870
K       10.95399999       0.26783600      11.57019997       0.94701488      -0.65612506       0.43344214
K       10.70240004       4.68406001      12.68289996       0.40541494      -0.71292204      -0.12591824
K       10.72269994      12.73889996       7.29723996      -0.42507808      -0.68122711       0.45388639
K        2.92999994       1.36233005      11.11669998       0.00748965       0.26194633       0.02602331
K        2.33093994       3.16970003       6.65213995       0.12938642      -1.20851328      -0.39964272
K        8.13735004       3.92267006       4.39877999      -0.67639787       0.14247338      -0.13702086
K        5.05183997       9.27048999      11.75979997       0.37495443       0.24910260      -0.14030317
K        1.83665006      10.17159994       9.71533996       0.33071479       2.32831119      -0.18820204
K        8.52799006       8.86471002       6.25788005      -0.44106880       0.72128870       0.09931326
K        4.97137006       5.33929997       7.54413004       0.20438838      -0.00510950      -0.75876124
K        6.06693995       0.49023097       4.81081004      -0.37129660       0.45002898      -0.70193612
K        7.05571006       2.93284998       0.16650801       0.56543244      -0.14743334       0.00055057
K        6.48834997       0.27590601       8.82533001       0.07666736       0.76137427       0.04515259
Li       0.59441003       5.14097004      10.19629995       0.21812020       0.28724287      -0.01187328
Li       2.21860004       4.37972003       0.87620504       1.11207339       0.74365063      -2.20156009
Li       3.07011000      12.81970002       1.47099005       0.03619366       0.01433767       0.23196131
Li       2.48357001       7.34118003       7.94090996       0.21475143       1.34281309      -0.06802690
Li       5.25526995      10.54540000       7.27917994      -0.13611007      -0.47570850       0.26688468
Li      11.59269999       8.15091003       5.62813996       0.95496372      -0.19640973      -1.48309982
60
Lattice="12.99310009 0.0 0.0 0.0 12.99310009 0.0 0.0 0.0 12.99310009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-560.60694214 stress="-0.00552152052099149 0.0013150842876161386 -0.00033380981413456913 0.0013150842876161386 -0.01088020667240534 0.0017111671487448532 -0.00033380981413456913 0.0017111671487448532 -0.007025596606433767" free_energy=-560.60694214 pbc="T T T" config_type=melt 
Cl       7.30687006       1.81051002       4.07003000      -0.44517150      -0.81533505       1.19858575
Cl       9.89798007       9.94834002       9.56200994      -0.08776071      -0.09825232      -0.90071164
Cl      12.44039999       3.94164999      10.76239997       0.36286616      -0.35466804      -2.12615499
Cl       5.40592001       7.99535001       4.65563006      -0.67167523       1.44170105       0.22314217
Cl       2.74763996      11.49589997       6.53631998      -0.63607293       0.06224045       0.08130919
Cl       6.38765994       9.93998000       8.00754000      -0.31045056       1.15664180      -0.20993398
Cl       0.47493198       6.51831998       1.49297996       0.39721701       0.45203860       0.17621784
Cl      11.39029998       2.85624006       6.96771000       0.22867591      -0.43286074       0.19507172
Cl       1.10901995       0.80037704      10.62090004       1.46012740      -0.53027555       0.37331076
Cl       7.25732997       5.29270996       8.11287000      -0.19105372       0.45240199      -0.34320215
Cl      11.49350001       4.43864997       3.42786994       1.15958194      -2.66813193      -0.90350484
Cl       4.99690995       0.84103103      12.09650004      -0.84073242       0.48042612      -0.33824918
Cl       2.73981006      10.26169994       2.75700994      -0.27611277      -2.63971904       2.05444742
Cl       2.13650001       0.57491700       1.88734004      -1.06982855       0.14890084      -0.45384491
Cl       7.88714997       9.07301995      12.51719999       0.57166635      -1.15114744       1.65467984
Cl       8.27478001       0.70947004      10.49620006       0.28670387      -0.14608608      -0.25975640
Cl       3.39417000       4.14989002       6.32784997       0.28966763      -0.02596084      -0.57274675
Cl       3.77728000       8.80204001      11.61059994       0.93254182       1.21977742      -0.51671397
Cl       5.72605999      12.52209995       1.94084004      -0.59393768      -0.62652780       0.70077168
Cl       9.60523006      12.32910005       1.30837997      -0.18301572       0.61071285      -0.07330599
Cl       5.10724995       5.07353000       2.11506997      -0.07486112       0.20065786      -0.08060849
Cl      11.39650003      11.74069998       6.18894996       0.76739977       0.00786075      -0.51049382
Cl      12.44779995       9.75433004      12.96001966       1.75764313      -1.07805516       1.52770153
Cl       8.23481999      10.27649999       4.31727999       1.65102528       1.55108453       1.72508978
Cl       8.88976994       5.23872999      11.82710007       0.81089328      -0.79163099      -0.30124085
Cl       0.28459995       8.77074002       4.30943996      -0.23288250      -1.00127629      -1.14952390
Cl       8.85953006       6.79330998       2.34750003       0.10529513      -0.12334211       0.23278619
Cl       3.40347994       5.10392996      10.03790003       0.84329060      -0.00770790       0.24038518
Cl      10.22860002       6.39927005       6.01473003       0.03098010       0.10121130      -0.23677663
Cl      12.67099997       7.74742996       9.34265003       0.58297926      -0.02014440      -0.12794025
K        6.80166000       9.52506003       2.47052000      -1.28574268      -1.08265273      -2.30497684
K       10.74700003       7.62354998      11.59140003      -0.33006306       0.15080736       0.09681139
K       11.77979999       8.77834995       6.50654005      -0.61112982      -0.01648101       1.59989800
K        2.92410003       6.43431998       3.90868000      -0.38210086       0.04846153      -0.14344686
K       11.34679999       1.81459999       3.77595002      -0.22059810      -0.96716122       0.70422797
K        8.14348005       8.48898997       6.39596006       0.27219735      -0.75461754       0.23779155
K        5.06267998      11.57720001       4.95619997       0.85858104      -0.46837712      -0.58624898
K        1.43114996       3.87999994       8.43955006      -0.83687799       0.19337233       0.06838196
K        2.08199006       6.86333006      11.96180006      -1.07626346      -0.86386913      -0.10445821
K        6.53607999       3.46255996      10.15329994      -0.00807194      -0.54159501       0.36536314
K       10.69999996      11.18640004      11.86119994      -1.41515522       1.58205192      -0.55436715
K       11.98120005       0.87786997       9.25489996      -2.09409794       0.38227387      -1.22621743
K        7.84236002       3.73833006       2.41461005       0.75602672       1.20207273      -0.99826617
K       11.02060002      10.58579996       2.96270007      -0.36383665      -0.31138304       0.37435951
K       10.27779995       5.06786995       9.03244003      -0.01974675       0.02796526      -0.58962339
K        1.90654995      10.52860005       9.34786000      -0.05081078      -0.31083946       0.33631981
K        6.07976998       5.52918997       5.00854995       0.84221488      -1.75433403       0.49419656
K        6.50789003       6.18661004      12.50659996      -0.86598311       1.01132875       0.48363126
K        3.78527998       1.28908002       7.13381002       0.02207855       0.17320965       0.07581956
K        7.20664999      10.66800003      10.69290001      -0.74121001       1.45563639      -1.45463236
K        8.95167998      12.68700006       7.09903997      -0.49586338       0.08073053       0.22380361
K       12.15380001       4.28158002       0.21358006      -0.70301093       0.12531862       2.28287291
K        4.21593004       2.34364004       2.10240001       0.82318203      -0.17262123      -0.02329865
K        5.12071003       7.56110995       8.41050996      -0.53234054      -0.90030999       0.34090477
Li      10.88829999       6.18784997       3.60521003      -1.64281813       3.00128375       0.54889964
Li       7.43162006      12.45594415       0.63253101       0.23723322       0.32528794      -0.22573023
Li       2.93123000      11.60289997       1.49351995       1.00172553       2.24713187      -2.33417407
Li       0.51007195       8.83154006       1.87515004       0.26888377      -0.35462250      -0.25029636
Li       2.46071996       0.97041697      12.22609998       1.07229256      -0.03025566       0.62771815
Li       1.30294002      10.53100000       4.45473998       0.89630650       1.14765329       0.65594659
60
Lattice="12.99310009 0.0 0.0 0.0 12.99310009 0.0 0.0 0.0 12.99310009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-560.20522251 stress="0.003930273334568933 0.0013270546844818872 0.0001222983080992415 0.0013270546844818872 -0.009908206931688614 -0.0021377433333722006 0.0001222983080992415 -0.0021377433333722006 -0.006429507656188613" free_energy=-560.20522251 pbc="T T T" config_type=melt 
Cl       0.48892295       6.75163994      12.45089997       0.08419167      -0.74117397       0.08218039
Cl      12.54349998      10.67910004       4.81508996       0.03437847      -0.15869204      -0.76957527
Cl       9.52705006      12.65959995      12.65269997       0.14198620      -0.45373756      -0.05075823
Cl       7.02551006       1.75924003      10.34530002       0.34487125       0.51163453       0.03098054
Cl       8.48332004       9.97962000      10.32870003       0.11582492      -0.56407807      -0.57074601
Cl      12.69679998      11.97650006       7.67384003       0.00188329      -0.04308838       0.60294489
Cl       4.85496995       6.43006006       9.28843996      -0.91071078       0.43401011      -0.57851357
Cl       8.24007998       3.91436994       1.54044999      -0.23537502       0.23439993       0.09816336
Cl       0.01989296      10.23500003      12.67230006       0.91280299      -0.90073025      -0.89036915
Cl       3.89408004       4.49135999       2.58979004      -0.17418363      -0.22929431      -0.07490713
Cl      10.44230001       7.01744005       3.59142994       1.50611575      -3.99592960       0.50824404
Cl       5.14210005       0.24497503       7.89126995      -0.17624145       0.21435218      -1.00449954
Cl      11.22369998       1.74092001       5.90128000       0.14695396       0.52370394       0.28496720
Cl       0.63117206       8.25455001       7.34183995       0.43110053       0.14617991      -0.13071689
Cl       0.96430306       5.22956999       5.76395995       0.68766092      -0.74249704       0.08428650
Cl       4.09756004       4.07535003      11.43459995      -0.74666484       0.33076328       0.77503562
Cl       2.41718996       7.59114999       3.77243006       0.17922103       0.13452659      -0.25171648
Cl       5.98546996      12.74820003       1.73352005      -0.17468784       0.46662112      -0.55323375
Cl      10.86570005       8.11513002       0.66959305      -1.21734434      -0.01944992      -0.46325660
Cl       4.77710996       3.63577007       6.05438004      -0.21887887       0.49462009       0.12833056
Cl       9.83169005       5.98473000       7.69711002      -0.49895377      -3.24763323      -0.20428834
Cl       5.84524998       8.80146000       2.36804005      -0.02436888      -0.08889485      -0.24685966
Cl      12.24099995       4.16525994      10.55600003      -0.42368735       0.51581068       1.22329940
Cl       4.74202002       9.76580996      11.59610003      -0.46970009      -0.17357495       0.10450530
Cl       3.81971001      10.67699996       6.43206997      -0.73688572      -0.87654437      -0.60926674
Cl       2.16672002       0.21539598       2.44393002       0.53499083      -0.07016016      -0.81304637
Cl      11.69980004       1.96549003       1.95656000       0.76430902       0.30589433      -0.24094134
Cl       0.67535601       1.24591006      10.19469998       0.49743656      -0.39427155       0.44254022
Cl       8.53466994      12.96500004       4.80494001      -0.45023458      -0.64871175       0.92576550
Cl       7.58248996       8.33523001       6.16345997       0.73362851      -0.51380998      -1.16756564
K       10.60769996       0.89191499      10.32269995      -0.15111023       0.25752977      -0.37496088
K        5.56106997      12.30970006      10.35580000       0.45873527      -0.08403758       0.92905903
K       11.12439995       4.76237995       0.68815304      -0.41106326       0.19784165       0.08003156
K        2.08790998      10.88480004       8.77340997       0.05672086       0.34291186       0.48636088
K        2.91963002      10.77530004       0.98677398       0.52014480       0.01884038      -0.14110975
K        5.72762995       2.81695997       0.31446602       0.61158927      -0.50261741       0.03347105
K       12.65870005       3.56497001       7.99478000      -0.19240303      -0.34251915      -0.80660959
K        0.57080703       8.24917996       1.68033995      -0.59025847       0.31318512       0.85621049
K       10.35629998       8.29253001       8.06456997       0.43167760       3.26788205       0.22505525
K        6.58776005       9.94675006       7.91749002      -0.77727848       0.92738065       0.90286493
K        7.66704997       2.58809002       6.93376994       0.00918752      -0.22654284       0.13261383
K       12.61380006      12.76950001       0.04446966      -0.43450126       1.37130882       0.30250375
K        0.89631706       1.01101001       4.67416004      -0.91201331       0.17811239       0.64669712
K        1.73841001       7.04721997      10.14589998       1.00871337      -0.36833228      -1.06886966
K        4.36693001       6.57542999       0.63194606       0.02475930       0.20699985      -0.33834229
K        5.85771998      11.31629998       4.10650995       0.20655332      -0.44032348       0.69241700
K        7.38489999       6.66577998      10.19719999       0.68356004      -0.01770129      -0.02746554
K        4.64887001       1.91430995       3.85579003       0.16070904      -0.49759687      -0.39797036
K        7.44259001      10.30719996       0.05226513       0.11435815       0.17102477       0.23069365
K        7.57844001       6.57196005       3.57367994      -0.14635503      -0.36751460       0.10956247
K        3.92174001       2.81879005       8.91434002       0.21256398      -0.05295861      -0.20409634
K       10.02270005       9.32200997       3.78894001      -0.85241531       3.98444060       0.21781117
K        1.12055003       2.92717004      12.99220006       0.20792804       0.16269947      -0.39420622
K        9.05070001       0.73790895       2.22924996      -0.08978895       0.70107887      -0.35782673
Li       2.86144003       5.21033994       4.52095996       0.28220547      -0.41379614      -0.35210692
Li      12.68759995       6.91154005       5.60151996      -0.76604313       0.40511535      -0.25322395
Li      11.20690003      12.57630002       6.21359995      -0.27107485      -0.17016483      -0.40035467
Li       1.55046001      10.07319995       5.70920001      -0.18660127       0.20056290       0.09323323
Li       2.83217996       7.50046998       5.80655004       0.03490642       0.18524450       1.31137829
Li      11.76309995       8.39238004      11.57220000       0.09715540       0.14170139       1.19619638
60
Lattice="12.99310009 0.0 0.0 0.0 12.99310009 0.0 0.0 0.0 12.99310009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-560.16408143 stress="-0.007090824976791473 -0.0021206598485399644 -0.002946218593330257 -0.0021206598485399644 -0.00841309263598512 0.0014713890961802257 -0.002946218593330257 0.0014713890961802257 -0.006520876134606995" free_energy=-560.16408143 pbc="T T T" config_type=melt 
Cl       9.75716007       6.20608994       1.46145000       1.34052965      -0.08209961      -0.02270826
Cl       1.47884997       8.74308005       3.22626003       0.46186085       0.04258882      -0.37284524
Cl      11.57980005       5.58329999       9.87634006       0.24092621       0.60732770      -0.33621942
Cl       7.73302997       3.86632002       9.97578002       0.50352296       0.02499718      -0.34271311
Cl      11.87630000       7.62261006       4.61205004      -0.81604080      -2.05310721      -1.47627431
Cl      11.90699997       3.18809995       6.12662999       0.19007893      -0.15133201      -0.39287035
Cl       6.41329000       8.40835999       7.39413003       0.62635452       1.50703363       1.44191758
Cl      12.78860000      11.71750002       5.22168006       1.02391752       1.87369494      -2.08650214
Cl      11.60500004      11.16620005      10.79349999      -0.06237407      -0.67268608       0.58368522
Cl       2.64398997       3.85476006      10.22980006       1.49728150      -0.19683919       1.52319710
Cl       7.51406999       2.90393006       1.15034996      -0.09838444       0.19069590       0.07287972
Cl       4.30006998       5.92223995       3.87192005      -0.50606587      -0.70591633      -1.31690633
Cl       4.89324996       1.90439998       4.79970003       0.06574420      -2.13642246       1.16063857
Cl       3.80926004       6.63313001      12.65569994       0.16533062       0.53129623       1.46819228
Cl       3.50747996       6.12765995       7.76560003       0.04532994      -0.41985050      -1.04306107
Cl       1.33148002       9.65729003       8.39391998      -0.06456898      -0.73740118       0.08229022
Cl      11.71420003       9.90024996       1.36529001      -0.18337543       0.45425398      -0.24978759
Cl       8.29217998      12.14489999       2.14108996       1.44194114      -0.62550139       0.45890658
Cl       7.97367998       8.10923999       3.81548998       0.02185724       0.92869081      -0.30445831
Cl       8.51443995       5.13826994       4.86985003       0.45842419      -1.03094043       0.00410758
Cl      12.04919996       2.26336997       0.84171797       0.13398461      -0.13901265       0.04711264
Cl       4.26168005      10.40800004       3.33370998       0.51288046       0.47884075      -0.39066708
Cl      10.91340006       1.46564001      10.20209994       2.53712092      -0.20901567       2.62480664
Cl       5.87285006      12.64680006      11.81659995       0.44737854       0.98761310       0.18496287
Cl       8.41687996       7.90529002      11.85429995      -0.57729852      -0.12701751      -0.88602710
Cl      10.11110004      12.05350003       7.88716997       1.75346150       0.55086656      -1.86726281
Cl       2.02737006       3.46114995       2.85184995      -0.12896627      -0.18243989       0.79845929
Cl       2.35487998      11.13700001      11.94560000      -0.75005275       0.13125307       0.38595073
Cl       1.14589996      12.86790001       8.22048002       0.11627327       0.87888872       0.42959464
Cl       6.83581002      12.79640002       7.75608999      -0.90904725       0.71991751      -0.68896950
K        9.23459005       1.85516003       8.54086999      -2.29446626       0.41439626      -2.70452746
K       12.09969998       4.51367005       2.51037998       0.10079390       0.29532686       0.52917692
K       10.43969996       3.98029004      11.85550000      -0.50057233      -0.31387569       0.41193164
K        4.94134002      10.19280000      11.76889994       0.06484614      -0.91162658      -0.25973113
K        6.23494996       0.67249895       2.28653004      -1.74192396       0.22157736      -0.35872942
K       10.67919995      12.88260001       0.08149987      -0.30419160      -0.29186322      -0.13852574
K        3.11808000       3.12652006       0.39950599      -0.07266690       0.00221043      -0.95795152
K        9.14874997       1.78976004       3.91760002       0.27445653       0.40793322       0.09377217
K        8.86166002       6.39725002       8.53613998      -0.08861287      -0.12013413      -0.02624662
K        2.82795005      10.33280001       5.92809997       0.01502350      -0.12745783       0.33514917
K        8.00745997       9.39288006       1.20089000       0.37516131       0.17761501       0.31713718
K        2.79614996       7.11429997      10.16549994      -0.96160627       0.58441753      -0.59627227
K        4.27676998       1.64533004       8.74825000       0.33272458      -0.31805331       0.11880339
K       12.13869994       9.53305001       6.16310006      -0.61840817      -0.09757245       3.67003651
K        1.67191002       1.18579995       5.38018003      -0.43124870       0.39550333       0.05138119
K        7.16473997      10.86450001       5.07103000      -0.11114267      -0.23640364       0.20695381
K        6.21669998       6.66734006       5.51088996       0.06051916      -0.69598464       0.18820945
K        5.70272997       5.03543995      11.25870001      -0.26337533       0.05277225      -0.13920588
K        8.25625003      10.93800003       9.09525998      -1.49460044      -1.59094417       1.65881803
K        7.12534995       5.70224000       1.65105999      -0.65407734       0.25899748       0.50845402
K        1.64028001       6.46122999       5.21720004       0.24442877      -0.33425228       0.19409935
K       11.34240000       8.26611998      11.57019997       0.17562361      -0.04778749       0.22374916
K        1.38612003      11.69920002       2.29050996       0.13366973      -0.13260196      -0.47269986
K        0.68513201       3.68336002       8.53150002      -1.43902169      -0.06723670      -0.80273363
Li       3.09609996       8.23434002       1.44294003      -0.12941939      -0.13402265       0.54707208
Li       9.84203996       6.74125001       3.81534004      -0.27566823       0.04819344      -0.08141717
Li      11.78669997      12.60529997       9.23295994      -0.26618990       0.61837178      -1.03642534
Li       4.86669999       3.53763994       3.79494996      -0.63226417       2.58581282      -0.91686189
Li       0.68545203      11.86090006      10.37979995       1.17040466      -0.61400093      -0.00184541
Li      12.41720003       9.79015007       3.42655998      -0.15622004      -0.46768688      -0.05099979
60
Lattice="12.99310009 0.0 0.0 0.0 12.99310009 0.0 0.0 0.0 12.99310009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-560.22795779 stress="0.0004961722195166362 -0.0007361661097083462 -0.0013535128348815813 -0.0007361661097083462 -1.2868088157287883e-05 -0.003988943794978637 -0.0013535128348815813 -0.003988943794978637 -0.010699536522659014" free_energy=-560.22795779 pbc="T T T" config_type=melt 
Cl       7.16397000       4.16446996       1.85920998      -0.89207789      -0.44610131      -0.44355093
Cl      10.20319994       1.64027000       6.82846996      -0.22120981      -0.19627414       0.32997940
Cl      11.30220000       1.95131001      10.38440002       0.18685850       0.02440381      -0.36597951
Cl       4.86683005       7.30309998       8.38237002      -0.43041736       0.02680202      -0.08918717
Cl       7.29977998      10.74180006       9.36137997      -0.02462981       0.13081465      -0.13215318
Cl      10.81309996      10.56559998      10.31090001      -1.06830728       1.87910236       0.96156557
Cl       0.78702806      10.71710005       8.82210006      -0.45527724      -0.68744086       3.20189467
Cl       1.01926998      12.39989998       5.10867998      -0.70672337       0.04028873       0.89970408
Cl       3.39766995      10.25209999       4.76500000       1.27559136       0.09090692       0.09092308
Cl       9.51726001       5.09352002       4.02768003      -0.42771215      -0.58793063      -2.29930284
Cl       3.97289995       1.71808997       2.05905997       0.69988857      -0.45719871       1.05777704
Cl       6.68242998       8.19207996      12.77700002      -0.21033622       0.01797375       0.04931348
Cl       2.73883999       6.75825005       3.81645004       0.09613236       0.36718545       0.06653551
Cl       6.99702997       0.43859795      12.89510002      -0.14378772      -0.49973928       0.56504313
Cl      12.59930002       8.58622994       5.40311999       0.46384946       0.70274032       0.47306814
Cl       2.71234005      11.37359995      12.98759998       0.22286668      -0.55421166      -0.71673473
Cl       3.69700005       4.51513996      12.49240006       0.54546399       0.60315482      -1.18584728
Cl       8.33489999       7.99127004       2.98848007      -0.36668345       0.63163644       0.06189927
Cl       3.98671006       1.35864001      10.58409995      -0.00911274       0.26803193      -0.03617625
Cl       4.10462998       0.63824005       6.96716000       0.14534516       0.01517349      -0.30101488
Cl       8.77858006      12.40349997       4.18420999      -0.84156148       0.51297157      -0.14187242
Cl       7.60896003       4.25620995      10.14490003       0.02423780       0.07944901       0.04022335
Cl       0.13322202       3.32095998       3.34580994       0.14826538       0.14370523      -0.22685119
Cl      10.68979998      12.74240004       1.25059004      -0.42449954       0.19384683       0.85616347
Cl      12.77540005       3.86253007       6.78889999       1.28442112       0.00221242       0.10689395
Cl       9.04522004       7.63533004       7.25126999      -1.46289203      -0.79714606      -0.93717542
Cl       1.26311006       1.56125000       0.18406000      -0.36753783      -0.05013654      -0.26728686
Cl       0.31943004       6.11855997       9.52213996       0.36772742       0.63519143       0.27361290
Cl      12.68310005       8.89070999       1.19746996       0.18831719       0.88601515       0.31603581
Cl      11.37020004       5.86509006       0.65917206      -0.14362874      -0.22811366      -0.70449435
K       11.59160000       8.42849994      11.56200003       0.52220673      -2.05974285       0.97466598
K        3.52264005      11.69540006       9.62177002       0.77740075       0.45649942       0.08078062
K        5.03893003      10.85350005       1.63869004       0.12298732      -0.07455643      -0.24171627
K       10.37340007       3.29613004      12.78819994      -0.84321109      -0.23506752       0.45022766
K        6.54195002       1.18688006       3.91769006      -0.37609023       0.61744852      -0.38012069
K        7.81606004       7.61079998       9.93141001      -0.65713195      -0.22988918       0.16156890
K        4.09464998       4.43255997       9.30595998       0.49718684      -0.54347516       0.57054772
K        2.48640004       8.36306007      10.63110002       0.10795953      -0.30905165       0.12318356
K       10.81309996       9.18415006       8.19352999       1.60853453       0.06500781      -1.40736252
K        0.26429200       4.00088995      11.80079995       0.50164053       0.14102614       0.01284026
K       10.71529998       1.46057998       3.84809005       0.66449063       0.65825336      -0.02015760
K       10.29620000       5.08386004       6.28747002       0.50372842       0.13886246       2.99276753
K        2.45197002       6.51275998       6.69704995      -0.66825912       0.01652427       0.12539923
K        2.53383005       2.06767998       4.55542000      -0.41223717      -0.23243740       0.67909787
K       12.24090003      11.88610005      12.26950005       1.48812395       0.45576421      -0.20821382
K       12.09700002       6.71612005       3.35931003       0.03561813      -0.71807960      -0.49340869
K        6.06587997       8.02657996       4.98249995      -0.13844266      -0.29658521       0.17606152
K        7.95876001       0.92606606      10.20720000      -0.16938573       0.27078977      -0.25587251
K        2.88891004       4.44359995       1.99756999      -0.91611934      -0.17298221       0.98177194
K        7.66748004      11.38749996       6.45252994      -0.46531726      -0.15152349       1.20720681
K        0.09614322       0.54995206       8.39222997      -0.05096909       0.46735535      -0.37955778
K        1.29211001      12.31499994       2.27432004      -0.27251090       0.36296837      -0.24123204
K        8.66882994      10.86579997       0.07459832      -0.37743673      -0.04631564      -0.34492571
K       10.10390004      10.20439998       3.58506995       1.30444710      -1.00999649      -0.43617322
Li       1.75331998       9.18103003       4.07916000      -0.83169560      -0.93210246      -0.16779860
Li       5.75751005       5.31405996       0.44055094       0.22135675      -0.04392358      -0.51424592
Li       1.25230994      10.88670002       7.03538001       0.92803144       0.32614700      -4.33356797
Li       3.89547004       1.29911005      12.92439998      -0.33466687      -0.01898949      -0.90145355
Li       8.38748995       5.78272004       2.39321002       0.34996718       0.75221931      -0.25089455
Li      11.41350007       3.05645996       8.18763996      -0.57277642      -0.40146114       0.53757601
60
Lattice="12.99310009 0.0 0.0 0.0 12.99310009 0.0 0.0 0.0 12.99310009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-557.42065144 stress="-0.002274262913773258 0.0003113197905427831 -0.0007618240362230107 0.0003113197905427831 -0.02421051426941406 -0.002097761343141926 -0.0007618240362230107 -0.002097761343141926 -0.010050546887870306" free_energy=-557.42065144 pbc="T T T" config_type=melt 
Cl       4.71800006       4.41886005       8.44223001      -0.31190659       2.11132307       2.98932871
Cl       4.44672999       1.32799994       4.70789000      -0.90546105      -1.02580841      -1.51872457
Cl      12.25110000       5.21300002      10.35590005       1.71232234       1.16856327       1.11071636
Cl       6.55975004       0.03702397       7.57803996      -0.12117944       0.15737127      -0.00285266
Cl       1.97301004       2.33435998       8.52700999      -0.33722684       1.18136634       0.85400956
Cl       3.61317000      10.91789996      12.92250000      -0.17146996      -0.41521551      -0.77960976
Cl      11.45340006      10.14960002       5.31118004      -0.14606186      -0.54170584      -1.12467929
Cl       7.77269998       9.97167004      12.26370006      -0.06246702       0.02359124      -0.65980618
Cl       9.11780002       0.71332405      10.48200004      -0.20806895      -0.37110090      -0.55748814
Cl       5.69341002       1.86601005      12.07510002      -0.54919342      -0.37540344       0.12821621
Cl      12.19719995       2.12351003      11.41530000       1.00651979      -2.02655060       2.57771846
Cl       3.13868004      10.46710007       7.61843005       0.22339713      -0.47990550      -0.93887129
Cl       4.88315003       6.64124004       0.29314201      -0.03921036      -0.37221901       0.33586540
Cl       8.52374002       8.89347999       8.58571996       1.32637809       0.64854642      -0.52747914
Cl      12.73710003      11.92829995       7.89462996      -0.36990363       0.99349319       0.81356466
Cl       2.34054002      10.11530006       3.31863006       0.90518680      -1.43593924       1.98316902
Cl       8.85058002       7.92611004       3.15797999       0.38010155      -0.27930376      -0.73257005
Cl       8.43172002       4.31654004       5.68544005      -0.53584442      -2.70175524      -0.13691266
Cl       0.16513594       8.60966001       8.04188999       0.43718854      -0.54272139       1.95122576
Cl       8.65519004       4.93761997       9.72740002       1.00853654       0.75512501       0.11542614
Cl       3.12597006       7.70036999      10.22289995       0.51878702      -0.96052353      -0.06492501
Cl       6.88495006       2.66377002       2.12607994      -0.78118348      -3.23507531      -0.26059258
Cl       1.89924003       5.45439999       4.49921003      -0.73273043       1.29897608       1.05400039
Cl       2.56075994       3.02694003      12.72540000      -0.52268258       0.68328326      -0.00750506
Cl       7.59768007      11.41879995       3.60187003       0.59843036       0.14409910      -0.63172605
Cl      11.04459997       3.27079999       2.67412994       0.04478025       0.31091286      -0.78034314
Cl      11.99340005       9.46620999      12.94370006       0.20440396      -0.07805693      -0.05501528
Cl       5.72436998       7.82569000       6.14344995       0.12258829       0.01063206      -0.30006998
Cl      10.70850004       1.64521999       5.72503003      -0.39654953       0.11928874       0.67733274
Cl       1.41447006      12.56860005       1.73030998      -1.00173133       3.08921230      -0.06404301
K        5.19595996       2.91497004       6.58836994       1.06826617      -0.76350239      -0.79617373
K       10.93319999      11.62140006      10.90849997       0.25481100      -0.27518153      -0.05486551
K        3.26932995       7.07883998       7.41886006      -0.09746823      -0.44566245      -0.71570726
K        2.46567995       0.02873684       7.47799997       0.11908429       0.06676799      -0.93073255
K       12.78510005       6.17887005       7.56017003       0.02210911      -2.44298459      -0.65380493
K        7.14235000       2.76173994       9.96951994      -0.46730549      -0.57886282      -1.07263421
K       12.23620004      12.92569994       4.23022999       0.53106838      -0.27131490      -0.42834252
K       12.00259995       7.68006996       3.47857006       0.06304300       0.21219026      -0.09288212
K        8.67130006       6.74261000       5.61061006      -0.31017623       3.10043162       0.96217991
K       10.95360006       7.52286995      10.10140004      -1.09305636       1.11707438       0.14707449
K        9.48803996      10.25890006       1.36794996      -0.15267277       0.00639524       0.80407338
K        4.58971997      12.90760003       1.73072004       0.16528175       0.45745774       0.10204845
K        1.34496997       7.85742006      12.18880004      -0.01260077      -0.04773501       0.64540142
K        6.88661006       7.19905007       9.68463999      -1.27022818      -0.65033446       0.67351006
K        2.92020002       3.70755006       2.85403994       0.61558492      -1.12558717      -0.99028209
K       11.16929995       3.10535001       9.44697995      -1.96390662      -0.76179534      -3.40557715
K        9.75000996      11.22839997       7.31508001      -0.60216440       0.64015132      -0.03102396
K        9.45988002       2.20542997      12.75040002      -0.12545740       0.41816109       1.02137893
K        2.04568994       0.31042803      11.49430000      -0.09905661       0.29197474       0.16093679
K        5.28293005      11.42019996       4.98087997      -0.77832949      -0.41899251       1.06732174
K        4.72685005       7.96737001       3.03889005      -0.01621908       0.16046282      -0.03737639
K        7.41270003       4.97374000       2.06574999       0.79375437       3.80538014      -0.17319258
K        6.11226001      12.00759995      10.90849997       0.23172612       0.04889707      -0.10338418
K        7.48132997       1.26277003       4.43523006       0.60789917      -0.13987140       0.72722918
Li      12.91189997      10.12220004       6.87368998       0.27440616       1.25442798      -1.27420129
Li       1.62174002      10.65729995       1.57030996       0.06687619      -1.16781333      -1.72153964
Li       4.09267997       4.03537000      10.83370000      -0.27131313      -0.31613484       0.14294886
Li       0.18140395       3.71415003      12.45609994       0.65794861      -0.02572512      -0.16317655
Li      10.26119997       3.56566995       4.67749005      -0.01823252      -0.53550538       0.09749219
Li       3.66573995       9.31990002       9.15560006       0.51057823       0.53273123       0.64594173
60
Lattice="12.99310009 0.0 0.0 0.0 12.99310009 0.0 0.0 0.0 12.99310009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-561.12181693 stress="-0.006018765387541972 0.0003265601140395819 0.00045662637346106005 0.0003265601140395819 -0.011101462778254018 0.0013038812905389265 0.00045662637346106005 0.0013038812905389265 -0.0014765462991332147" free_energy=-561.12181693 pbc="T T T" config_type=melt 
Cl       7.18348004       9.58674997       2.37555006      -0.56539623       0.30342272       0.94983355
Cl       7.28274005       1.52330001       7.66227007      -0.34944056       0.03356402       0.20086537
Cl       3.26626995       9.73168995       3.74882004       2.41641129       0.76449998       0.47829799
Cl       5.84372005       6.22013003       7.40294000       0.18435501       0.14837772       0.51448315
Cl       2.40149000       5.79504997       8.58982994      -1.53548678       0.02715191       1.12361482
Cl       3.66571994       3.71701995      10.71520007       0.58524146       1.95418256      -0.12018973
Cl       7.69553006       1.69386005      12.41619995      -0.03926814       0.44001406      -0.82071331
Cl       3.49234001       0.41020906       1.30422998       0.66957150       1.52074058       1.07991841
Cl       6.20268003       4.23815994       2.43816004      -0.96200255      -0.02193417      -0.26662856
Cl       1.04822004       4.79009995       1.95663003      -1.11396338       0.54747769      -0.24681183
Cl       9.94111001       6.31145996       0.60012596       0.57706398       0.08352306      -0.56504648
Cl       8.91917995       3.97052001       3.15242999       2.21972382       1.00472615       1.28592693
Cl       6.43959999      11.90100001      12.11319995      -0.26293374      -0.76061505      -0.30964789
Cl       6.38488007      10.32299996       6.82242999       0.35040116      -0.19649733      -0.38996633
Cl       2.50675997       0.76187901       8.28636998       0.47603502      -0.10846809       0.03775796
Cl      10.25280006       6.53437998       6.04326002       0.07608001       0.41076435       0.45374803
Cl       0.62925506       1.29858006       4.18912996       0.21289712      -1.04148539      -0.28885419
Cl       0.66719998       8.22032995       5.15419000      -0.31508863      -0.65199175       0.03885540
Cl      10.12860006       0.21005100       1.72380005       0.04913219       1.25793351       0.52737765
Cl       9.92515994       9.58117996      11.22520003      -0.37883684       0.46694584      -0.51837618
Cl      10.68110006       3.20315999       8.31123994      -0.97196815       1.10624025      -0.22299529
Cl       1.48467997      12.40590006      12.07270006      -0.62024083      -0.53865743      -0.65029239
Cl      12.01500004      10.96870000       7.40391994      -0.43823750      -0.13986623       0.29040931
Cl      12.71380002       3.00243998      11.32470002       0.00895916       0.36668120       0.09550050
Cl      12.31790000       9.66551999       2.01047994      -0.34979465      -0.03556549       0.12552949
Cl       6.75675000       6.47192006      11.93020006       1.04931714      -0.82812495       0.56776371
Cl       3.23145000       4.46676002       5.01002999       0.03074092       0.08725316       0.05264644
Cl       6.75132005       0.64797396       3.06071001       1.19602373      -1.88250673      -0.29428502
Cl      12.03779995       7.18422000      10.44859997      -0.01836222      -0.61569576       0.05551469
Cl       3.23602006       8.68135996      12.31039999      -0.20874337      -0.56842823      -0.58602929
K        9.52186997       3.35893998       0.44224901       1.00570708       0.66249893      -0.07581980
K        7.66442003       6.76909994       2.12212003      -0.67655293      -0.37021890      -0.01323502
K       12.77757808       1.69219004       8.63053005       1.03838903      -1.08611613       0.10418958
K        9.05164006      12.46984508      10.25880001      -0.37012180       0.40765833       0.11965723
K        0.18329990       7.48466998       7.73729002      -0.51862717      -0.01482572      -0.07753707
K        9.47564000       9.29178997       7.96352003       0.09711036      -0.30720793      -0.21737891
K        3.84950007       3.43876998       7.84235002       0.21378804      -0.38824698      -0.48858890
K        9.47455001      11.96180006       4.53590995       0.09223049       0.13566623      -0.06020989
K        5.55879994       8.15942999      10.38089994      -0.67930062       0.80889568      -0.65261310
K        9.28862004      10.77410000       0.94399303       0.20868528      -0.80357404      -0.60853692
K        1.01788999      10.90739998       4.51821998      -1.17926806       1.25527334       0.13577915
K        3.81613002      10.72930005       1.13904999       0.24228745      -0.10711512      -0.44859795
K        4.90600996       2.01216995       4.14036997      -1.69233254       0.91301584       0.96599007
K        2.27926001       7.43028996       2.97968997      -0.46780605      -1.27455445      -0.50291614
K       11.08320000       6.92124005       3.33352002       0.67070231       0.33224557      -0.36098986
K        2.10482998       5.92246005      12.04199997      -0.20237403      -0.00491360      -0.08449622
K        6.86547002       3.77238004      10.45920000      -0.15459685       0.05996071      -0.26897783
K       12.75688306       1.28741002       0.60878599       0.49216203      -0.38719585       0.75780717
K       12.44910004       3.54817994       4.93174994      -0.23333043       0.91308714       0.15674074
K        0.10729988       9.94756005      10.73640000       0.20137944       0.45661243       0.45061320
K        8.01936996       4.72193996       6.17177997       0.11618419      -0.58742205      -0.03074613
K        3.58095997       1.41066997      11.68189997      -0.16286120      -2.22215377       0.22208947
K        3.53936997       3.84418004       1.78898006       0.23289899      -0.66349582      -0.02320390
K        4.76187997      11.87970003       8.68491994      -0.00310713       0.46257649       0.07622660
Li       5.76667005      10.09970002       4.28578004      -0.25839183      -0.16598596       0.06877023
Li       3.73379001       6.69566995       7.45336999       0.92068837       0.43868012      -1.44284460
Li       9.57134003       7.35909998      11.57510006       0.12298539      -0.13925402       0.40455950
Li      12.33770006       4.93674995      10.39020001      -0.43408245      -0.13101544      -0.36232007
Li       8.26248996       2.08942004       2.84509003       0.04897493      -0.70533342      -0.31310885
Li       6.52253001       0.58444199       0.81809405      -0.64361024      -0.62120376      -0.02850868
60
Lattice="12.99310009 0.0 0.0 0.0 12.99310009 0.0 0.0 0.0 12.99310009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-558.26275428 stress="-0.013700362940659884 -0.004560954195144376 0.0019879288704198273 -0.004560954195144376 -0.006284937146924571 -0.0036650105948169386 0.0019879288704198273 -0.0036650105948169386 -0.016044724399463663" free_energy=-558.26275428 pbc="T T T" config_type=melt 
Cl       5.78596000       6.79175003       1.75298995       0.18116805      -1.76492496      -0.62501157
Cl      11.01500000       7.40941005       2.94010000      -3.68282653      -2.26002119      -0.62866284
Cl       5.81855995       3.63297005       7.56702999      -1.22830566      -0.55939652      -0.12962426
Cl       1.28283996       2.36823001       0.77265406      -0.15779525       0.04493994       0.19099628
Cl       2.94355005       0.61468602      11.11639997       0.13227773       0.66309739       1.76530084
Cl       7.46515006       8.44448003       5.01108997      -0.85101586      -0.20870552      -0.30804492
Cl       4.37856000      12.26190000       7.71138996       0.64636073      -0.19053829       0.12063311
Cl       1.08739995      11.56970000       5.59754004      -0.83559044      -0.81432230       0.72678693
Cl       1.25332002       9.67660999       1.17907004       0.41505682       0.38502153      -0.83853147
Cl       0.77962602      11.56079998       9.21489005       1.51423643      -2.21334107       1.17685801
Cl      10.75420002       2.64243002       8.42673002      -0.16500665       0.33866505       0.14042269
Cl       6.72312996       0.43750795       1.62418000       0.15474855       0.00765002      -0.25831065
Cl       2.28800996       6.40616004       8.65210002       0.65646241       1.00458784       1.36842596
Cl       0.11057206       6.51632996       5.66177000      -0.48599617       0.38237655      -0.14696236
Cl       9.38390000      11.96260004       8.55313002       1.65066868       0.70514218       0.03019660
Cl       6.13023999       4.97293001      10.75989997      -0.70581548       0.53534813       0.07603844
Cl      11.00680005       3.44428997       1.02859994      -0.53320565      -0.13318680       0.06348873
Cl       8.46967001      12.44179999       4.74532001      -0.13655199      -0.40673722       0.05361498
Cl      12.07210004      12.68179996      12.19350003      -0.60554103      -0.70985481       0.40422734
Cl       4.75015006      10.33549997       2.44311002       0.64236372       0.26284504      -0.26079075
Cl       6.37823994      11.45470002      11.21160003       2.05597000      -2.33845721      -3.75534802
Cl       0.42219104       6.45156001      12.34279998       0.09093886       0.10994652       0.16391252
Cl       9.88502997       7.57558998       8.61536996       0.31225193       0.19669452      -0.32120439
Cl       2.62482996       7.99409007       4.27491001       1.02494485       0.01080745      -0.24137267
Cl       2.24191005       1.85103004       8.46318996      -1.60334850       0.35368450      -0.47637180
Cl       8.51095000       4.13950996       5.19451006      -0.38980942      -0.42476140      -0.20656702
Cl       0.04365604       2.13439006       5.26752998       0.15027577       0.72890088       0.72945790
Cl       3.60257997       1.97166994       3.59322000       0.53651365       0.00990570      -0.70796806
Cl       4.86495995       8.43660998       8.91854004       0.67505173       1.04598100       0.25282648
Cl       9.24534003       8.79610996      12.93989997       0.82658640       0.78390114      -2.96092737
K        4.86339000      12.13090006      12.78439998      -3.65457002       1.70988696       3.79486793
K       12.28089994       9.40098996      11.87599999      -0.03773157       0.16213237       0.16153907
K        7.20424003      10.62810004       8.50997006      -1.66400631      -1.12076325      -0.23529160
K       11.73360003       2.36689003      11.43530002       0.16589351       0.48191404      -0.22966168
K       10.51899997       6.14976005       0.11040094       0.05181470      -0.20543286      -0.06845727
K       12.28039997       0.78825500       3.10231002      -0.39514630      -0.22806302      -1.18388109
K        5.80825005       3.93961995       4.05215994       0.11391625      -0.10683031       0.08814617
K        3.59147997       9.72756997       6.56999004      -0.04850474      -0.42971769      -0.06178657
K        8.38612996       8.40533000       2.18561003      -0.79830305      -0.29251292       2.96883242
K        2.79156002       0.91081294       5.90111005      -0.13372710       0.07295655       0.44225676
K       12.23750000       4.51109001       3.36101005       0.14589148      -0.08846055       0.14768768
K        8.56710995      12.52470000      12.08799996       1.50246132       0.59922571       0.55678207
K       12.39959996      12.77840003       7.54738001      -1.94042424       2.06626199      -1.34101401
K       12.86339998       8.48926997       7.96663006       0.29678568      -0.22544749       0.17440909
K        8.04631999       5.05116004       8.35181999       0.33359255       0.19868765       0.30503245
K        0.01476302       8.57196001       3.30340994       3.01027954       1.91886488       1.39588703
K        6.02998003       8.42031000      12.51500000       0.23640502       0.39681027      -1.23565333
K        9.78876007       9.58683001       5.93140996       0.03192503       0.53514640       0.18989149
K       10.48170002       5.57715997       6.31821000       0.34352941       0.13625340       0.36888906
K        2.50668006       4.37784005      12.23879996       0.12513524      -0.35999737      -0.50876540
K        2.31519997      11.49960001       3.31094997       0.44947918       0.11950688      -1.52880082
K        2.80702999       6.56793998       1.61937996      -0.50173880       0.43984327       0.21027318
K        7.97653002       1.40191002       7.02301006       0.32572548       0.04437371      -0.13472885
K        1.36634999       4.55472006       7.17639997      -0.51027741      -1.96358628      -0.92176511
Li       5.84376994      12.30570000       3.32539999       0.73061025       0.18014843      -0.06751327
Li       4.66695004       6.39454005       9.24172002      -0.15891891      -0.93279578       0.09735100
Li       3.15625997      12.29069999       9.62816002       0.12180024      -0.78120629      -1.62116330
Li       5.45803001       8.33234996       2.94558997      -0.44575527       1.12758775       2.10421733
Li       3.85817998       2.80484001       9.15369995       1.73651525       0.47170772       0.07301376
Li       0.87311995      12.62850006      11.02349995       0.28227593       0.52825774       0.66191719
60
Lattice="12.99310009 0.0 0.0 0.0 12.99310009 0.0 0.0 0.0 12.99310009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-558.00115064 stress="-0.012476314340437042 -0.001316961321621602 -0.0009591332691103017 -0.001316961321621602 -0.014244552350666781 0.0004645245538712083 -0.0009591332691103017 0.0004645245538712083 -0.010374449679399543" free_energy=-558.00115064 pbc="T T T" config_type=melt 
Cl      11.29620005      11.39600005       8.60767999       0.46630252      -1.22295939       1.57947794
Cl       5.67226998       1.97807995      10.22149994       0.87892023       0.04748086       0.31915767
Cl      11.20420006       6.23041004       8.40361998       0.90829379      -1.27757385       1.15756388
Cl       7.08546997       9.82705996       9.12168002       0.18612666      -1.06125792      -0.46214785
Cl       7.47598994       6.13621006      12.43729996      -1.66470178      -1.04902286      -1.09218469
Cl       5.32698004       3.61531997       4.27240001       1.85895709       0.96356524      -0.99280965
Cl       6.15697005       8.66279997       5.46804002      -0.00054399      -0.42691148      -0.10288469
Cl       9.77468997       4.73082997       1.91875995      -0.05768888       0.14657245      -0.66267628
Cl      10.91239998       8.51097001       2.63398996      -0.55163454       0.32772654      -0.04625810
Cl      10.15419997       7.93435000       6.27309003      -1.00098165       0.39587992      -1.22348778
Cl      12.46400001       3.42752004       3.44708998       1.15702273       0.12792042       1.29141743
Cl       6.09850006       5.87602999       8.00181005      -1.41980245      -2.00196136       1.08254205
Cl       6.07117999      12.15060006       0.74071598      -0.17652126      -1.31088889      -0.27002317
Cl       3.07017002       1.94176995       3.66307000      -0.71244208      -0.44791065      -0.15251490
Cl       2.56498998      11.63440005       3.98425995       0.62514791      -1.09399596       0.05431587
Cl       3.24067003       3.50813001      12.32369999       0.52485143      -1.31702167      -0.64268012
Cl       2.12283998      11.36720006       0.09188136      -0.06522784       0.29219037      -0.91739312
Cl       1.78857000       8.31832001       7.97814000       1.12875392       1.21629014       1.61083355
Cl      11.57709996      12.04639995       4.25172006       0.61600672       0.01364480      -0.49810280
Cl       0.65454106       5.66089998       0.90102796      -0.56851259       0.29799995      -1.43720660
Cl       1.65779003       6.11285003       4.76674004       1.15055145      -1.58776767      -1.67783921
Cl       8.03364002       1.46748997       1.34453003      -0.55204496       0.56182473      -0.22052040
Cl       2.84319005       4.16144998       8.79643998      -0.62452688       0.81165573      -0.73591287
Cl       3.11856997       7.81998006       0.53524803      -0.00548951      -0.97154378      -0.95173122
Cl       4.70054007      12.72940006       7.93530006      -0.74669168       1.02676116       0.49694442
Cl      11.16980005       0.46223694       0.67742100       0.68688713      -0.45911910      -0.40452266
Cl       9.77657994       2.71796996       8.19860003       0.27606115      -0.36289190      -0.32049981
Cl       8.29162998      11.62729997       4.53328002      -0.81707523       0.88718816       0.32727024
Cl       9.86455999       9.39751002      12.09629995       0.09940765      -0.67520672      -0.13690898
Cl       0.90755102       0.68584001       8.56980004       0.38068626      -0.13411834       0.02074895
K        6.51993996      11.34300003       6.71962000       0.92025500      -1.03273563      -0.53217495
K        0.45896203      10.56240004       2.21756994      -0.87747572      -0.06395329       0.43445294
K       10.17340001       2.20677995       2.94840999      -0.82566445      -1.36903330       0.41670870
K        6.49557998       3.80169000       0.28985501      -0.20395562      -0.84739450       0.40320077
K        8.99768998      12.05430001      12.67509994      -0.59902591       0.13215764       0.16222360
K        3.76423999       7.72543005       9.70151997       1.04536570      -0.58923106       0.44625734
K        0.46163302       7.91745000      11.51800006      -0.18891285      -0.00453110       0.27892798
K        4.50317994       6.17776005       5.28755001      -0.23703054       0.16918511       0.10201822
K        0.24388906       7.57842000       6.17794000      -3.27386185       0.89015233      -0.30966250
K        5.80179001      11.55930006      10.64770000      -0.74465603       1.12528551       0.78552128
K        4.41381002       1.34184994       1.12499003      -0.81170416       0.15109080      -0.11318549
K        4.83266001       2.74674006       6.71518000      -0.35006072      -0.34099239       1.13208849
K       10.38740000      12.68060005       6.62767004      -0.89660337       1.05148572      -0.73294831
K        6.36477000       0.49608501       3.55099996      -0.37645264       0.24712561      -0.07314069
K        8.30099995       6.65059000       3.15467000       0.05183232       0.63807342       0.65874888
K        7.87318004       4.28737001       9.78454004       0.07125238      -0.02188825      -0.00125803
K       12.56690003      12.43170007      11.01070006       0.24568502      -0.15311555       0.27266057
K        1.52498002       0.47287205       5.65417995      -0.81501791       1.24847379      -0.47295844
K       12.69459999       3.16776003       9.14368006      -0.07364928       0.69970852       0.02515355
K        9.83075000       8.70574996       9.03014999       0.18072015       0.34138646       0.15000694
K        3.98274002      10.01400000       1.90960995       0.53951385       0.55984156       0.31972093
K       11.27549996       4.27185001       5.96859998      -0.22215533       0.63306893       0.23326702
K        2.51012999      11.26829997       7.14743004      -0.53241440      -1.03529374       0.16605305
K       12.32229998       2.94794003       0.79655694       0.29337930       0.54108125      -0.88572532
Li       8.72093006       7.47612000      12.87541703       2.42713372       2.34499685       0.44492578
Li       2.69127005       5.15905994       0.27299595      -0.23574201       1.81445771       0.73146816
Li       0.90828097       4.97231999       2.78851002       0.30274318      -0.02018206       1.80046112
Li       9.57686001      10.27430000       3.72352001       1.70305088      -0.99162572      -0.30578922
Li       7.04646001       7.31585999       7.21616003       1.56676370       2.65403002      -1.37168789
Li       3.66903006       2.63567998       9.87812999      -0.06340373      -0.48817356       0.84269840
60
Lattice="12.99310009 0.0 0.0 0.0 12.99310009 0.0 0.0 0.0 12.99310009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-560.12594313 stress="-0.006894110971663481 -0.00042481342017096054 0.0016279362438191434 -0.00042481342017096054 -0.011133715870284657 0.00010109914094185242 0.0016279362438191434 0.00010109914094185242 -0.007754391100649371" free_energy=-560.12594313 pbc="T T T" config_type=melt 
Cl       2.73087003       8.28341002       5.55030999      -0.55838205      -0.41988875      -0.23142828
Cl       1.31776996       7.88816005      10.03939996       0.70525669      -0.21616983      -0.00268812
Cl       9.92102995       2.02036002      10.34799998       0.16105126      -0.84838542      -0.04928810
Cl       3.79353995      10.73820006       9.54639003      -1.38497919       0.36477753      -0.21071323
Cl       6.57201995       5.98921002       3.26002001      -0.26473423      -0.03377629      -0.00163265
Cl      11.45770000       3.50528998       0.75748903      -1.10039971      -0.47441118       0.28631372
Cl       8.93767004      10.53050003       8.75059006       0.06306062      -0.17625135      -0.08514734
Cl       0.29499301       6.68156997       1.03020004      -0.82809330      -0.92726019      -0.52386551
Cl      10.38250004       7.96563998       4.50554001      -1.08904878      -0.12754079       0.09467787
Cl      11.20800003       6.68490998       8.90162004      -0.42336559       0.42343370      -0.04358331
Cl       0.33479997       0.02698784       1.64254003      -0.93171255       0.81397927      -0.25263010
Cl       7.04521995       6.48659005      10.40949997      -0.66298528      -0.15798037       0.27127824
Cl       5.91344999      10.96070001      11.92650001      -0.43209813      -2.17478570      -0.46560817
Cl       4.15564999       5.62866995      12.87732611      -2.25395271       0.90106409      -0.88165926
Cl       4.01855004       0.42591304       1.27541999       0.83315891       0.12886724       1.45576583
Cl       2.42845004       3.08277996       2.31946001      -1.78597371       0.44414392       0.76279123
Cl       9.01011996      11.51089998       0.60433494       0.38719714       0.13623796      -0.05832704
Cl       7.88145002      11.76070000       5.40378004      -0.73710955       1.62623314      -1.38393256
Cl       1.02443994      11.52430003       5.67077006      -0.35534224       0.11539120      -0.06551628
Cl       1.11905998       5.02654994       5.63689003       0.57954840       3.10126248      -0.18792907
Cl       5.41064001      10.25399997       2.83285001      -0.94710060       0.11375607       0.27905519
Cl       5.84159996       1.35910997      11.17209996      -0.09089499       0.36913982      -0.13823288
Cl       6.58714002       7.62443000       7.28268003       0.21051576      -0.38287836      -1.27272670
Cl       0.83594306       4.42832994      10.99340001       0.17775287      -0.32407585      -0.08143181
Cl       4.12846998       0.81716296       7.00366996      -0.11041115       0.05188854      -0.22440949
Cl       1.36721000       9.50628007       1.20310000      -0.21397138       1.13903189       1.07860353
Cl       7.50925007       3.60236000       7.00354003       0.13124643      -0.15227026      -0.28012516
Cl       7.88064003       2.35583004       2.75549000      -0.28526256       0.35223335      -0.10634417
Cl       8.44287005       7.18584999       0.27492802      -0.09235479      -0.21923198       0.70347519
Cl      12.78610000      11.40139998      10.06109999      -0.67780104      -1.03444374       0.63341483
K        5.97278999       9.34404003       9.20080994       1.18513546      -0.29575143       0.92687460
K       12.58970006       9.21011001       4.03906004       1.48871782       0.55332969      -0.72157539
K        9.82140003       0.41225703       3.03464000       0.12097810      -0.44540198      -0.13481534
K        9.18340997       5.05987997       1.99753998      -0.15245446      -0.22283667       0.29644737
K        7.61815005       0.11271995       8.65831995      -0.11751087       0.74005227       0.17032772
K        9.00695003       8.98861001      11.31519999      -0.28903497       0.47394413      -0.56623911
K        3.19411004       8.95477000      12.36620003       1.24244029      -0.10454130      -0.90159563
K        4.78762996       5.86351997       5.85458994       0.15185213       0.19135179      -0.41003268
K        0.29253198       9.29022001       7.37691001      -0.18054682      -0.65413555       0.69238347
K        3.16057004      12.34419998      12.10439998      -0.33687975      -0.30016228      -1.27016142
K        1.13910002       2.83797995       4.71488003      -0.11619942      -3.54070717      -0.75387518
K        0.34752502       5.06930997       8.08319999      -0.38421980       0.01124945       1.69921069
K        4.22147004      10.48230005       6.41115004       0.51577993       0.43133287      -0.25271301
K        5.42885998       1.24626997       4.11874997       0.23450363      -0.23226201       0.04870679
K        8.09519003       9.52365002       2.67305996       0.03581664      -0.42072441       0.03135263
K        4.51174006       3.19520003       0.88490405       2.01133065      -0.95271258      -0.78963481
K       12.52789994       8.88219002      12.12120006      -0.34186249      -0.05576332      -0.26119794
K        1.62846006      12.17339997       8.42533002       1.12570017       1.22880890      -0.85433238
K        9.05090998       5.81216994       5.74535994      -0.62043674      -0.06793967       0.49921438
K        9.48103005       4.73074006      10.29329994      -0.33271420       0.36663333      -0.10011747
K        2.62871996       7.05427003       2.60769999       0.44974553      -0.14353470       0.34556963
K        5.52875002       3.88973996       8.89889006       0.01926238      -0.19796120       0.72436626
K        2.30008003      11.65669998       3.09639997       0.93553230      -0.19570815      -0.23310784
K       11.45599998      12.71830005      12.05580007      -0.65816587       0.85302160       0.41418200
Li       5.97327996       6.36515004       0.03839149       2.62405157       0.90862807      -0.08266609
Li      12.30114215       5.01002999      12.57800004       0.89420335       0.76304551      -0.12449452
Li       0.18561995       2.58632997       1.47647002       1.25663161      -0.77310471       0.07704140
Li       6.60426999      12.66679995      12.61430003       0.63448584       1.55456645       0.73172813
Li       8.67538002      10.41809997       6.52761005       0.79228491      -1.79549776       1.37800237
Li       2.33566995       6.07715005      10.96779996      -0.21124151      -0.08930931       0.40299498
60
Lattice="12.99310009 0.0 0.0 0.0 12.99310009 0.0 0.0 0.0 12.99310009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-559.20389364 stress="-0.010507638996500828 -0.003520567087780589 0.00292192270766157 -0.003520567087780589 -0.005752548352252177 0.0028006112882607856 0.00292192270766157 0.0028006112882607856 -0.014346952552910453" free_energy=-559.20389364 pbc="T T T" config_type=melt 
Cl       6.92107997       5.00194997       5.04861002      -0.03694311      -0.23619035      -0.02369448
Cl      12.76010002       0.40506600       2.25163005      -0.39760350      -0.18795890      -0.01743763
Cl       0.53144300       5.43738995       2.99687997      -0.03299487       0.54467483       0.12312236
Cl      11.60830003       9.49828996       2.86798998      -0.53159856      -1.56697612       0.27907698
Cl       8.39110996      12.62150003       7.35836003      -1.20002291       0.40458751      -1.14174369
Cl       8.03207007       0.33397802       3.49162994      -0.78454523       0.55754497      -1.28360762
Cl      10.63250002      10.37819998      11.97250000       0.26183261      -0.16840271      -1.12017362
Cl      10.58639998       2.53157003       5.49914004      -0.27044292       0.25156756      -0.78044222
Cl       3.20653001       0.87646802       3.93356997       0.13150673       0.59087625       0.00391645
Cl      12.59540001       7.11380000      12.64420001      -0.49570966      -0.30914222      -0.49064773
Cl       7.90188999       8.94617000       5.08753994      -0.37151025      -0.24568559      -0.25868680
Cl       4.37109001       6.61663994       8.62249005       0.61004480       0.05635280      -0.32434969
Cl      12.77370003       2.89020000       8.46748002      -0.71255501      -0.47960373       0.37332846
Cl      12.53879998      11.62770003       6.68735996      -2.43812415      -1.32834518       0.82419893
Cl       7.73064002       7.44051995       1.32067002       0.20378272       1.28805753      -0.07240006
Cl      10.26649999       1.24123995      11.26659995      -0.01321229      -0.18537862      -1.06000984
Cl       6.05495004       4.66994002      11.32709998      -0.06691744      -0.46305256      -1.92514039
Cl       3.96795998      10.54499994       4.31441995      -1.25589051      -1.19785031      -0.91565013
Cl       9.53574998       5.64428999       8.69448001      -0.09632635       0.46135371       0.17556671
Cl       3.47980999       6.89417997      12.95619995      -0.14614209      -0.72280337      -1.04748878
Cl       2.58613001      10.07560003      12.70179998      -0.10026652       0.99841493       0.92161793
Cl       4.07999000       2.04407996       8.47353000       0.26310413      -0.14808340       0.49178416
Cl       4.82090996       2.15479001       0.83076700       0.04032161       0.18193480      -0.07696402
Cl       6.47962004      11.47640005      11.23240003       0.44423300       0.10073842       0.27510644
Cl       2.17607999       3.81867004       5.75303003      -0.42875996       0.79396006       0.23151970
Cl       9.60505998       5.64986000       3.35227998      -3.19651141      -2.08261570       4.00291763
Cl       9.04546002       3.95992998       0.06742263      -0.06640634       0.23420434       0.27771751
Cl       2.02014005      10.06930007       9.04037998      -0.60221406       0.07133301      -0.20855248
Cl       0.98105896       6.06860995       9.89941996      -0.39323688       0.88408079       0.26777732
Cl       4.27651999       6.66878996       3.43081002      -0.22443275      -1.12874740      -0.40773267
K        0.23597094       2.84684995       3.99423995      -0.21280055      -0.79055473      -0.15841023
K       11.05069997       6.45645996       1.80194003       2.92045856       1.98824951      -3.33471848
K        7.79913003       6.96868006      11.33780006       0.31248975      -0.02366247      -0.20494465
K        7.14074002       1.52478005      11.99289995      -0.26674282       0.19751801      -0.35410310
K       11.18869995       4.74411996      11.03250002       0.42873050      -0.39220009      -0.06058498
K        6.12707007      11.59000003       5.24688004       1.31202178       0.77426948       0.71480566
K        9.72855004       1.13080003       0.93276296       0.43119027      -0.03048576       0.93536845
K        5.10634005       7.17922000       5.87963999       0.32792494       0.94565477       0.90477931
K       10.04310000       1.76765994       8.22470005       0.40475315       0.51392659       0.15158319
K        4.48201002       3.43938001       4.36110000       0.40732394      -0.31710209      -0.51910751
K        9.28070997      10.11420006       1.28739001      -0.68507992      -0.08238462       0.59427325
K        9.25222000      11.63389995       9.54029002       0.43135506      -0.55625764       1.95025081
K        2.15395001       4.13984999       8.50726996       1.09474939      -0.40197865      -0.54111908
K        9.84850000      12.20370001       5.02789005       1.36546877      -0.58235293       0.53628092
K        3.86391006      12.40120007       1.72791002      -0.03698298      -0.20183736      -0.33348305
K        4.25233996       9.77754000      10.55839998       0.85242428      -0.12798073      -0.36436389
K       11.11219995       8.34845998       8.89933000       0.45377616       0.13573634       0.32243314
K        1.49832000      12.91109999       5.87278002       1.83682456       1.01414184      -0.19644742
K        4.72874003       8.63182000       1.70108005       0.39968391       1.51465975      -0.26879151
K        6.56323999       4.65912001       8.00490994       0.05546815      -0.44986835       0.38343095
K        3.31670007       3.68406997      11.73069997      -0.00636619       0.06679668       0.09937093
K       12.54750003       5.96581998       6.19522004      -0.03335558      -0.65691673      -0.14483300
K        6.20118998       5.30901006       0.82834495      -0.72084852      -1.09260840       1.48759257
K        1.28959000      12.82599999      10.20280001      -0.13244747      -0.18053851      -0.33459429
Li       1.04524995       8.58815006      12.44529995       0.22351854       0.11231312      -0.12734512
Li       2.12773994       6.88999996       3.17285995      -0.18967244      -0.11259724      -0.28807281
Li       7.50453006       6.88051006       3.58453996       0.68252675       0.11949436       0.54424200
Li      12.33109995      11.30980006       2.84870003       1.03822555       1.59547921      -0.11100511
Li       8.98091004       3.55902996       3.86417006       0.10907710      -0.06674140       0.71464659
Li       3.09190995       6.86696995      10.23250003      -0.89615347       0.11898265       0.90993774
60
Lattice="12.99310009 0.0 0.0 0.0 12.99310009 0.0 0.0 0.0 12.99310009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-558.28801269 stress="-0.011655716609243387 -0.005209339951442138 0.0024473499669731297 -0.005209339951442138 -0.00743788560218142 0.0017940459202086994 0.0024473499669731297 0.0017940459202086994 -0.007740089849649615" free_energy=-558.28801269 pbc="T T T" config_type=melt 
Cl       7.92275002       1.16796003       9.98001005       0.01360459       0.23907743      -0.30731023
Cl       0.88689303       4.44310998       2.78528006      -0.47284107       0.68900955      -1.78731594
Cl       5.34103000       4.52207997      11.67620002      -1.96296830       0.03070788       0.15716899
Cl       1.67307005       0.81870394       7.64349997      -4.08646139      -0.90045989       2.15835863
Cl       2.73252002       1.14485999       3.58742001      -0.88130208      -0.16022784       0.52653548
Cl      11.09139995      11.11219995      10.73310001       0.92083961      -0.06158816      -0.36769160
Cl      12.77469998       7.36152995       0.48813804       0.28811907       1.37904847      -0.24116669
Cl       4.00042999       4.25233996       1.68435001      -0.21966059      -0.77908951       0.16719779
Cl       2.86180994       8.17377996       9.21120001       0.92482322      -0.09890335       0.25259564
Cl       3.82099996       0.72159598      11.46319997      -0.06981767       0.16271005      -0.30239225
Cl      11.93109996       1.37342005       1.28628001       0.06498702      -0.04445249      -0.13490664
Cl       2.23488000       4.36527001       7.21906997       0.05907220      -0.44680785      -0.04365089
Cl      12.35920000       4.19260002      10.67800004       0.07459972      -0.34582991      -0.30056245
Cl       5.54864999      11.86410000       3.81466998       0.46904436      -0.40806635       0.02800341
Cl       4.02710002      10.75530002       7.38076000       1.18693018      -0.12528531      -0.26870693
Cl       9.34699999      10.76500002       1.05987004      -0.13875033      -0.84504511      -0.05081030
Cl       1.18632006       8.53586999       6.18972007      -0.09707690      -0.09476908       0.00397198
Cl       7.02129003       1.17984001       1.26223004       0.55255609       0.22556752      -0.60265204
Cl       5.96635997       9.44924997      11.30920004       0.54425602      -0.36899703      -1.28481035
Cl       5.12570003       2.15540004       6.26195001      -0.55353932       0.00799687       0.57661912
Cl       4.09644004       8.13149002       4.09907998      -0.40912139       0.17593783      -1.16713578
Cl      10.47159997       8.12181003       5.86924005       2.92730802       2.08810650      -2.03991503
Cl       9.92987995      12.44759998       6.11870004      -1.44619393      -0.18238277      -0.35822354
Cl       5.59412000       6.65928005       6.42865005      -0.02622608       0.76267508       1.01194791
Cl       2.08054003      10.28870000       1.01006996       1.23918381      -0.61066825      -0.55927318
Cl       7.88533002       4.98900001       0.38508703       1.85338921       0.41438742      -0.27516656
Cl       8.49296001       6.04753995       4.25744001      -0.35515869      -0.02017044      -0.05079995
Cl       9.26064005       7.26222005       9.09509003      -0.20395363      -0.22012582       0.26452609
Cl      11.38460003       3.27500001       7.20173002      -1.32638429      -0.95715932      -0.99455372
Cl      12.50930006      10.96460002       3.78699000       0.29106272       0.33902658      -1.43701318
K        0.04082874       2.57649004       4.34824996      -0.52548556      -1.10105603       0.52307162
K        2.01989006       5.82055998       4.74635997       0.79915572       0.97182168       0.53569891
K        5.11053994       9.97416004       0.78624003      -0.21672787       0.99324258       1.19543720
K        5.82962006       6.11822995       1.78688999       0.68168080       1.08603932       1.03625579
K       10.77099997       1.36997000      10.99310000       0.16641412       0.00935332       0.55792306
K        9.30754995      12.92920002       3.07372000       0.16439917       0.05522085      -0.39984142
K       10.74150005       8.48808994       2.96794005       0.05931241      -0.02131890      -0.13687234
K        5.47035006       1.65919004       3.44181998      -0.24753008       0.60233249       0.00715247
K        0.50961498       8.59607001      10.55040000      -0.73422113       0.24417214       0.44498623
K        2.86089003       6.82635001       0.36532596      -0.50557551      -0.26363473       0.14411162
K        6.49375003       9.39298998       4.85944997       0.39308353      -0.47268798       0.31566229
K        2.19520999       2.02466996       0.64018303      -0.21069737       0.06561039       0.28011670
K        2.60427994      12.22019994       9.31173996       0.67740528      -1.57748280       2.09335695
K        9.50059000       7.70393998      11.96709994      -0.04661939       0.50010643       0.34785650
K       11.98640002      10.46560001       6.32417994       0.13359538      -0.43705946       1.04681241
K       12.59229998       5.31742998       8.02793995       0.84064073       1.81880389       0.43424317
K        2.71432994      11.09680001       4.09297998      -0.17864320      -0.26801594       0.12073247
K        6.94263007       4.27974994       6.55574999       0.75798826       0.29985015      -0.48513818
K        8.37772005      11.17000002      10.30059999      -0.47480812       0.09889743       0.36930724
K        6.73966004       0.19568206       7.38960999       0.33204930      -0.56671576      -0.04598247
K        7.53685001       4.63404995      10.40940005       1.66652623      -0.00096748      -0.82854913
K       11.90320001       0.67011303       7.42628003       0.13446633      -0.14505595       0.63711016
K        3.97917003       3.27741998       9.29196005      -0.22032304      -0.18397868       0.28445376
K       11.53260002       5.09864995       0.09189994      -0.63606153      -1.56871994       1.09056715
Li       6.50936995       3.26261005       0.45299989      -0.51279803      -0.52753176      -0.15679342
Li       0.32659989      11.12120001       1.56970006      -1.40646324       0.66497497       0.56959402
Li       5.29957005       9.10906995       9.08875004      -0.85585939      -0.23412525       0.13631864
Li       2.82328995       1.49092004       6.51974000       3.94731089       2.67976867      -4.31562134
Li       9.22141999       7.29646999       6.85972006      -3.01630137      -2.15847402       1.81391496
Li       3.32554005       8.58554001       6.90847004      -0.12623354      -0.40759238      -0.18875284
60
Lattice="12.99310009 0.0 0.0 0.0 12.99310009 0.0 0.0 0.0 12.99310009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-559.00561095 stress="-0.011059503396793043 0.002666794899220639 -0.0004523791388480608 0.002666794899220639 -0.011763772904505986 -0.00411518535747192 -0.0004523791388480608 -0.00411518535747192 -0.004273945475861983" free_energy=-559.00561095 pbc="T T T" config_type=melt 
Cl      12.76568810      10.96080006      12.81450005       1.30340694      -3.11301874      -4.04169783
Cl       1.37861002       4.64444002       5.27654004      -0.00664320      -0.24397966      -0.64341369
Cl       3.67249000      10.23920005       9.78855997      -2.69683087      -1.23420318      -0.50227428
Cl       7.83603004       3.73331005      11.11249996      -0.20859809      -0.28447370      -0.20135837
Cl      12.59240003       1.63587002      12.66879998       0.09954225       0.72224360      -0.63697506
Cl       1.99168996      10.11809994       5.04481005       0.75501001       0.43885138      -0.51898442
Cl       5.16873006       1.76014006       7.65853000       0.13836729       0.35365955       0.15780546
Cl       9.65148004      12.66337406       4.40444005       0.96759307       0.98437529       0.49413225
Cl       7.72721997       6.71311995       1.51509006       0.28359412      -0.69164351      -0.47274538
Cl       4.81735999       1.88173001       1.38373995      -0.36732435      -0.37317753       0.43024969
Cl       6.69494000      12.00300001       0.46869997      -0.51282900      -0.80813992      -0.27295626
Cl       0.03199993       6.61218006       8.75116994      -0.30164251      -0.52733665       0.37842913
Cl       7.11370996       3.10384996       4.32214994      -0.22888923       0.29263186       0.13927549
Cl      10.14430001       3.84986998       7.59250998      -0.09270848       0.48396514      -0.33983921
Cl       1.36781002       1.01600001       7.73816004       0.05874046      -0.14928489      -0.66635385
Cl       2.87069995       3.86189003      10.62530003      -1.22165070       0.30092678       0.42534627
Cl      11.68249999       8.37526994       4.06309000       0.32515071       0.04118725       0.34450358
Cl       9.53265996       2.98857998       1.73206002       0.60930578      -2.04303149       1.13827329
Cl       5.72174004       8.97685996       2.66973996      -0.68789318       0.37638003       0.08980991
Cl       7.07974002      10.20290006       7.54172996      -1.06771502       1.93587956      -1.28232474
Cl       1.80492000       8.26523995       0.86114097       0.14327705      -0.38216670      -0.08008566
Cl      11.33229995       5.92158003       0.07474541      -0.01329631      -1.43339874      -0.72742729
Cl       3.50440995       6.67271998       6.79155007       0.32493626       0.03249438       0.54984061
Cl       5.04857000      12.85168605       4.55882004      -0.58361441      -0.96994692       0.58818576
Cl       9.99813998       0.34400402       8.95864000       0.18739080      -0.53933329       0.80678895
Cl       6.72162003       8.39096002      10.43870001      -0.04465994      -0.54971574       0.55331364
Cl      12.72699997       1.38391003       3.27754003       1.74095007       0.63444926       0.64418653
Cl       4.38587005       5.08871997       1.00998005      -2.64470790       0.37253615      -1.55512503
Cl       9.39825998      10.41930001       1.70614996      -0.20604388       0.45174611       0.05104082
Cl      10.73849994       9.18770004      10.72689996      -1.42779219       0.88446407      -0.33583314
K        4.55597000       7.86929004      12.80900008       0.39723733       0.16256219       0.24123661
K        7.66907001      12.95510749       6.80342004       0.10583645       0.56203850       0.00609390
K        4.53506995       9.49455002       7.05553998      -0.91755925      -0.09969620      -0.39711152
K        9.21779998       6.08149001      10.84719996       0.05357372       1.01567484       0.05161849
K        1.71213003       3.94586001       1.12769000      -0.40440406      -0.36551783      -0.24374213
K        3.52956005      11.66930004       2.09575001       0.29453085      -0.23971972       0.03155251
K       12.18449997      12.47730000       1.43220006      -2.00996245       2.32746317       3.05853966
K       12.67950006      11.88149997       4.97033997      -0.32564570       0.00765191       0.25238096
K        7.26002006       4.17070002       7.09441000      -0.14510765      -0.19395470       0.06340678
K        2.61671005       6.46718005      10.14139995       0.35502276       1.01643217      -0.44346344
K        4.68627000       2.07144005      10.63879999       1.22020853      -0.96137576       0.16796903
K       11.73310006       5.64644997       4.96564998      -0.63350956      -0.29636304       0.15494090
K        0.86851806       8.27509002       6.68019998      -0.38164013      -0.22487122       0.09930194
K        3.28762995       2.30612000       5.07071998       0.02561173      -0.39929910      -0.09988420
K       11.03159998       8.46174006       0.78524398       0.39546554       0.69701628       0.69478573
K        8.83844005       8.90516001       8.61646995       1.95936011      -1.40869960       0.64308138
K        2.53035999       7.07544995       4.00203997       0.18662666       0.47456368      -0.65245129
K        7.40702997       1.65807003       0.01059990       0.40100709       0.17079974       0.44799954
K        0.09540755       8.18837004      11.23040000       1.12616808      -0.05122857       0.69104457
K        5.78397998      11.24510001      10.50230006       2.38094888       0.84444238       0.70802330
K       11.25740005       3.40524999      10.18620003       0.05646815      -0.20601706       0.34800841
K        7.45313001      11.27930005       3.75671998      -0.57001132      -0.80487440      -0.38212499
K        2.46454006       3.60979998       7.75752001       0.01812244       0.47072596       0.20617148
K        0.12499804       0.37604994      10.10020000       0.03883691      -0.51328955       0.36851448
Li       9.09008002       4.67895996       0.91269902      -0.22179364       2.32828204      -0.76838757
Li      10.28580007      11.85190000      10.78940002       0.10399555      -0.43735226      -0.02747169
Li       7.44966995       9.41304002       1.31229999       0.11950551      -0.12396258      -0.18018415
Li       5.94745995       5.19279003       2.01983003       2.98590160       0.27684932       1.67540609
Li       6.04833006       1.34493996       3.61425999       0.41077462       1.01192821      -1.20177312
Li      10.79740000       1.80433999       3.75253997      -1.64999428      -0.00314854      -0.02726883
60
Lattice="12.99310009 0.0 0.0 0.0 12.99310009 0.0 0.0 0.0 12.99310009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-562.12517596 stress="-0.010825949926381551 0.0031795316782592766 -0.00043572837784352223 0.0031795316782592766 -0.004884224072682212 -0.0025739492927695077 -0.00043572837784352223 -0.0025739492927695077 -0.005927797408039673" free_energy=-562.12517596 pbc="T T T" config_type=melt 
Cl       3.57947005      10.77090006       4.22710996      -0.56882188       0.47932957      -1.12717955
Cl       9.66304000      11.06970004      11.17849997      -0.01252711       0.26814540       0.57376249
Cl      12.42440002       3.20336996      11.87649996      -1.10867491       0.45116068      -1.01371016
Cl       8.28099006       2.91852002      12.76200000      -0.37938424      -0.35054196       0.11268982
Cl       8.04011994       4.73427002       3.14693001       1.15814480      -0.34316784       0.12185589
Cl       5.78812998      11.83549998      11.88660002      -0.63347942       0.16779514       0.20214838
Cl       1.79944003       9.04424997       1.84944995      -0.13508210       0.23321729       0.03007084
Cl       1.54028004       8.32685999       7.42170996      -2.61454343       0.04755304      -3.27050991
Cl      10.39460000       6.19049004       7.77361002       0.19434156      -0.05789044       0.07616391
Cl      11.91330006       0.32879988       2.49224005      -0.04083744      -0.19866120       0.17873089
Cl       7.83997994       8.75049001       6.53560003       0.53293884       0.45447758      -0.31845869
Cl       3.22457002      12.15220004       8.59957996      -1.42595502       0.81729183      -1.21843002
Cl       7.89424004       2.98978002       8.75945006      -0.23717169      -0.17223202      -0.54468611
Cl       2.09081004       0.04578691       0.80479405       0.40857029      -0.86431513      -0.12318418
Cl       4.46911996       5.55189996       9.21539002      -0.63963968      -0.37736744       0.06087731
Cl       0.22434095       2.75680997       8.10118998       0.11447260      -0.16531117      -0.16418694
Cl       7.46427003       9.07832997       2.37451997      -1.30462617       0.08357381      -0.32989255
Cl       4.44945997       9.04969005      10.63580001      -0.92896670      -0.48062924      -0.77757452
Cl       3.15223003       4.57409005       1.41140005       0.60836213       0.51705318       0.33458493
Cl       7.23468001      12.80065513       3.17252005      -0.12784906       0.56562792       0.07727542
Cl       8.77609006       6.53391002      11.73319997      -0.11945070       0.70715308       0.18627909
Cl      11.49259998       9.38059001       3.35608995      -0.13599006       0.16604755      -0.59137988
Cl       2.86496999       2.19730006       5.25056996       1.75101356      -1.42651919      -0.87489278
Cl      12.42330003       4.89767996       3.82089004      -0.22106499      -0.12820831       0.30956191
Cl       0.20634095      11.93889998       5.87628998       0.55793771      -0.16953450      -0.22539599
Cl       0.67484200       7.78883001      11.44269998       0.81268767      -0.95576821      -0.25643801
Cl       9.62884996       0.36742096       5.69659995       0.63369966      -0.07294125      -0.07632913
Cl      10.87150004      10.50500003       8.09203998      -0.88909368      -0.24134861       0.37884852
Cl       6.56914003      11.59729994       7.77426006      -1.81995699       0.74101887       0.65677233
Cl       4.50017997       6.72947995       5.44919002      -0.62856314       0.74817377       1.17825927
K        9.88339999       2.49952996       2.14988005      -0.04528847      -0.14232514      -0.08546898
K        9.08124003      11.14909997       1.67466001       0.67082777       0.62927863      -0.39739105
K        0.20119997       5.53073004       8.70106998      -0.31430405       0.65710410       0.56814337
K        7.00426998       1.10380998       6.36303996      -0.20389113       0.25060941       0.00176896
K        9.85994004       4.28858005       5.58383998       0.07961147      -0.23315400       0.22337948
K       11.17069995       8.56193999      11.12520007      -1.44069827       0.17045473      -0.56510932
K        9.88300006       4.03052007      10.64379999      -0.00503101       0.19579532      -0.20940934
K        2.35204996       4.29417995       6.54843994       0.12236424       2.15254312       0.58108624
K       11.16700004       8.82518994       6.09041003      -0.04988512      -0.88074877      -0.00015508
K        0.19019989       2.12462003       5.04056001      -1.15234732      -0.78184133      -0.24255479
K        5.22886004       5.78200997      12.59949998       0.26249623       0.00124677      -0.42629569
K       11.90520003      12.52040006       9.42144006       0.43082401       0.96799432       0.20732019
K        2.19438999       8.22905001       4.48924004      -0.10515938      -0.35579430       0.30184266
K        9.31015000       7.27083006       2.57827997       0.85494455      -0.73204556      -0.00229315
K        6.21578007      10.48019997       4.59190995       1.04729824      -0.47092754       0.56321991
K        2.98187996       2.27105994       9.14277003       0.25149275      -0.30396083       0.05431111
K        4.69917995       0.69508499       2.13435005      -0.00442862       0.01154831      -0.10762379
K        1.44169996       2.68475998       0.35978895       0.54641389      -0.24814447       0.85559972
K        7.07901994       6.33208001       7.69400000      -0.20984456      -0.42827562       0.40000991
K        2.29889999       9.86544002      12.28200007       0.28291301       0.87532176      -0.10844828
K        5.51532997       5.04526000       3.82316994      -0.78050016      -0.97812593      -1.01609800
K        0.02578494       6.69671005       1.60268006       0.24413147      -0.00494155      -0.40876486
K        7.15209001       9.32280996      11.02659998       0.84346054      -0.05124105       0.06641908
K        7.87181005       0.47663096      10.98609997       0.20649989       0.56278349      -0.30626344
Li       4.37313005      11.35460001       9.99408002       1.59078632      -0.78895007       1.18876240
Li      11.52419998      11.77979999       4.24582002       0.08590446       0.34199213       0.15590768
Li       1.80201994      11.42420002       2.29851994      -0.17388086      -0.33975755       0.43661055
Li       8.42599007      11.04750003       7.47266994       2.24381298      -0.99724640      -0.45637891
Li       2.67804996      11.14420001       6.03147996      -1.06055107       0.76886923       1.41486589
Li       2.59539006       8.23130003       8.88815996       2.98153783      -0.29124339       3.74737494
60
Lattice="12.99310009 0.0 0.0 0.0 12.99310009 0.0 0.0 0.0 12.99310009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-558.50931015 stress="-0.015551925578316366 -0.0009089497756326267 -0.0032513747750225566 -0.0009089497756326267 -0.004116882068037227 1.1728407315428978e-05 -0.0032513747750225566 1.1728407315428978e-05 -0.008409553706552251" free_energy=-558.50931015 pbc="T T T" config_type=melt 
Cl       5.25718007       4.74902005       8.35752994       0.11978504       0.40457820       0.03421241
Cl      10.58010002      12.53690000       5.10011999       0.07071631       0.68725988      -0.52132064
Cl       3.44986999       7.68667994       6.65019995       0.72151115      -0.48751512      -1.10118157
Cl       5.12297005       8.38457001       2.58511005       0.20116411       0.21926284       0.27569619
Cl       4.94870997       0.80690296       8.20060006      -0.17866587      -0.20965217       0.06140652
Cl       8.12567002       4.16457001       3.27449003       0.36068892       0.64582721       0.07101035
Cl       8.49773004       3.00569995       6.78633996      -0.35242778      -0.26983542      -1.39258839
Cl       2.35659001      12.47719996       3.27628997      -0.47337763      -0.47493686       0.59913837
Cl       9.46104004       9.27290996       2.14553996      -1.53365695       0.35230269       0.70374218
Cl       5.16167000       3.06470006       1.95020001       0.32301895      -0.47192395       0.92632800
Cl       8.86172005       0.70258201       8.86478005      -0.73503365      -0.05568195       0.95896497
Cl       7.13654000       8.59838005       9.17113006      -2.36034663      -2.02698164       0.60236888
Cl       9.88455001       4.33989994      10.20500000      -0.08884150       0.74882859       1.09484490
Cl      10.98270006       7.28929001       5.78836996      -1.35716795       1.12034335      -0.57018390
Cl       0.88564296       3.33529995       7.77858001       0.15435931      -0.02395465       0.04550628
Cl       5.77095999       4.66534994      12.12810004       0.30650347      -0.53288109      -0.00483004
Cl       8.38152001      10.81020003       7.14277006      -0.25884969       0.47366086      -1.59850679
Cl       0.72895800       5.40896000       3.75778996       0.43346857       0.29156402       0.10309863
Cl       3.78552997      11.34929999      11.58159999       0.36933913       0.11953055      -0.02659512
Cl       0.39354905      10.13699997       7.18544005       1.27715521      -0.18211953       1.80886383
Cl       9.66892003       8.84568006      11.36020003      -0.46916878       0.46668373       0.23700322
Cl       1.09983006       7.19149003       9.34960004       1.73410482       0.43300256      -0.36533993
Cl       6.12753002       0.30574999       5.01611999       0.84651814       0.03436309      -0.60281775
Cl       2.83591002       3.32525005       0.02454786      -1.46841518       0.47037314      -0.59217922
Cl       8.90101001       0.17927503       0.37075096      -1.06977227       0.20748726       0.38332666
Cl       0.10329398      12.82890005      10.65780006      -0.75389519      -0.45101320      -0.02476655
Cl       2.65588997       7.90707995       0.06673685       0.22060312       0.09140899       0.43607407
Cl      11.33770001       6.31639006       0.09445776      -0.57442003      -0.79842198      -0.47284027
Cl      12.20040002       9.44808995       1.01782996       1.62219523       0.90156185      -0.53068306
Cl      12.42670006       1.71440006       1.23604998      -1.26549349       0.16510720      -1.26120089
K        0.86020494       5.87350998       0.88776500       0.63143064      -0.82517401      -0.05875852
K        3.81946002      12.20419998       5.88089006      -0.70041062      -0.02070916       0.00068447
K        4.33721998       5.86129997       1.31514002       0.14087776      -0.50975462       0.32474281
K       11.65370000       7.51446004       9.84844998      -2.21777752      -0.19135644       0.28725342
K        0.85168706       2.46032003       3.14821997       1.33207012       0.40012796       1.57287182
K       11.57349996      12.38599996       0.07372922       0.02974865      -0.97068507      -0.09728359
K        0.12410905       6.24885998       6.71233997       1.54418385      -1.11945155       0.38407273
K       12.35079996      10.44930004       4.90361001      -0.74992159      -0.16187309      -1.92908101
K       11.73800001       7.54184001       2.85299997      -0.59846288      -0.95114505       1.06196398
K       12.08480002       3.13854998      11.34050002       0.64031293      -0.53559328       0.22816064
K        3.23028997       6.25106998      10.82470007       1.00516261      -1.07994361      -0.47185475
K        7.38397995       1.99774995      11.13010003      -0.06305429       0.13084202      -0.36909957
K        3.68325998       0.68830103       1.12226005       0.13410232       0.06157261      -0.55512619
K       10.78869995      12.13849998       7.84850004       1.24494217      -0.00416746       0.52179066
K        3.46549003       3.97037994       6.27139001      -0.04466090      -0.14145431       0.30488371
K        2.13025995       8.87835004       3.18127000       0.54939594       0.12716906      -0.30209559
K        2.42829997       0.97574206       9.90158006       0.80761387       0.60719407      -0.19582624
K        5.83337000      11.01739995       8.47361004      -0.40520585       0.28037123       0.36335649
K        8.26378005      11.72840006       3.70581002      -0.30166786      -0.78761891      -0.14855475
K        6.70728994      10.42359995       0.17244403       0.08375789      -0.05735873       0.02452475
K        1.11641004       9.70811995      11.59950006      -0.19655699       0.69342745      -0.22045717
K        9.48760002       1.63666000       3.30168004       0.25632984       0.41064710       0.04304529
K        7.35060003       6.69729006      11.44039994       0.83009329       0.42871570      -0.63581183
K        6.46214003       6.38959994       5.31300999       0.23105435      -0.13444615       0.17142920
Li       7.52464000       0.54980095       6.82075999       0.16823073       0.71710439       0.50859237
Li       8.57311003       9.79195000       8.86967000       2.12406586       0.58676333       0.83668869
Li       9.91703003       7.83691006       0.61626404       0.07268186       0.69101874      -0.77462302
Li       2.37622999       8.98679994       7.72865000      -1.33587995       0.32394083       0.78687687
Li       7.24003004       3.51010002       1.46574006      -0.54956203       0.17657247      -0.21994229
Li       9.01221003       4.10154997       8.41521996      -0.48449310       0.00703602      -0.71897475
60
Lattice="12.99310009 0.0 0.0 0.0 12.99310009 0.0 0.0 0.0 12.99310009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-561.11524766 stress="-0.005993634724993736 0.0009474636755353659 -0.0013219066939963678 0.0009474636755353659 -0.006765545870084888 -0.003403806571136305 -0.0013219066939963678 -0.003403806571136305 0.002794669502644636" free_energy=-561.11524766 pbc="T T T" config_type=melt 
Cl       3.91886997      12.75100005       7.49010006      -0.38003453      -0.38298100       0.27900274
Cl      11.98040007       0.52025295       5.41948000      -0.07288254      -0.10513926      -0.17473285
Cl       4.74878994       9.57055005       5.82093002      -0.60361996      -0.06508176      -0.00292312
Cl       4.00244003       4.40329003       5.54648001      -0.07334987      -0.04816567       0.16529585
Cl      11.80029998       7.69988002       4.02789000      -0.47183623      -0.12086397       0.79871140
Cl       0.80141701       1.75726001      12.68252407      -0.29671552      -0.37190508       0.56649267
Cl       8.53504999      12.28310006       4.91157997      -0.38259038       0.40637216      -0.35321779
Cl       3.67667001       2.31961996      10.66830004       0.62159330       0.10918592       0.72260072
Cl       0.14424394       4.10583002       5.52460002       1.09764646      -0.54340136       0.91932970
Cl      11.71830001       5.39639996       9.95674006       1.23118274      -0.57051858       0.87405317
Cl       7.85612998       6.39958995      10.23000003       0.21760393       0.19955346      -0.15883110
Cl      11.55239995       9.01849999       7.89179006      -0.53290419      -0.17339541       0.33498084
Cl       8.48674996      11.55489995      11.69040005       1.03510471       2.11351416      -0.17670318
Cl       1.78707995       9.39278001       8.84123006       0.75472088      -0.01556881      -0.32522277
Cl       2.89118007       6.22994995       0.70510605       0.10040288       0.27632610       0.64038494
Cl       9.62551995       1.36079999       1.54812995       2.94591755       0.34092100      -0.31727283
Cl       6.32105003       7.12151998       0.67633296      -0.17835556      -0.02602827      -0.21232099
Cl       6.80793995       6.83354000       4.54429999       0.22080485      -0.11626452      -0.20653570
Cl       7.10779004      11.04950006       8.01137998      -0.32087459       0.10876222       1.05805303
Cl       9.96930998       4.50536005       7.23262995      -0.13999808       1.14940646      -0.21795849
Cl      10.79270001       4.72150001       2.60337004       0.65257646      -1.22281096       0.72256195
Cl       2.30000999      10.93770002      12.19219994      -1.28916768      -1.31487647      -1.38153664
Cl       5.36576002      11.17239997       0.52853904       0.36542316      -0.24242375       0.00090378
Cl       0.56869305      11.10160005       2.82138997      -0.30508920       0.58005075      -0.14534390
Cl       7.27758998       3.20809997       1.20978001      -1.03080174       0.30428364      -0.31420987
Cl       3.40806001       0.75283503       3.61396998       1.58941225      -0.06684579      -0.49322868
Cl       6.94897005       1.15859006       7.43310998       0.34915833       0.97334051      -0.20882470
Cl      11.77969994       8.78230999      12.26230006       0.12703749       0.00745822      -0.16009040
Cl       3.21912007       6.29624997       9.97069998      -0.32902876      -0.27053112      -0.48957363
Cl      12.50670001       0.67660594       9.79226002      -1.26475664      -0.05873336      -0.13804084
K        0.88563894       4.55888994      12.68500003      -0.46103413       0.19664560      -0.55523685
K        5.34052002       4.73831997      11.30920004       0.34055542       0.33004508       0.32716214
K        3.52097005       8.53043003      11.82400004       0.38486367      -0.43210318      -0.02615025
K       10.28270004      11.71530003       8.30440999      -0.14823848      -0.19365197       0.00624415
K        2.17199002      12.98339996      10.04400003      -0.15376646      -0.78224352       0.07043725
K        9.90431004       2.30439997      11.46550001       0.17138124       0.24140582       0.32970812
K        0.36570795       8.50441005       1.93832003       0.43320226      -0.41729056      -1.01085057
K        2.94697997      12.88189111       0.58034994       0.49338420       1.82245596       1.78152070
K        5.89662002       0.24370001      10.69650001       0.28879867      -0.29329479      -0.39858359
K       10.29850004      10.53729997       3.97638003       1.30242384      -0.62897561      -0.16160664
K        4.30645999       4.07697001       2.51654001       0.46089894       0.04037907       0.09542172
K       10.97600004       2.05921004       7.72736004       0.36138345      -0.23234583      -0.26982833
K        7.68298003       3.97379999       5.67958003      -0.76144169       0.08707939      -0.11707104
K        0.23214603       6.70592996       7.81972006      -0.12578743      -0.56339632      -0.43579117
K        7.58469996      12.94780004       1.53117006      -2.07247672      -1.09563452       0.06883721
K       11.53680004      12.22620003      12.90739994       0.46719527      -0.21125676      -0.08628010
K        1.09894003       1.97989002       3.82160999      -1.16946927       0.49348478      -0.15346752
K        3.21674999       7.01635006       6.99998005       0.66728124       0.06211621      -0.16201068
K        7.38918005       8.66186005       6.82395005       0.34740835      -1.00841370      -0.37847131
K        9.04624000       6.51384997       1.56009998      -0.50172386       0.16510840      -0.07472418
K        7.45987005       9.22264004      12.04080005      -0.47432415      -1.39543203      -0.15547284
K        2.07742000      11.83250000       5.18023999      -0.12388875      -0.51237285       0.58966758
K        4.77260006       8.42654007       2.74204007       0.15908334       0.05519871       0.22946189
K        3.01476004       2.43705004       7.98071003       0.04005622       0.73035569      -0.99728584
Li       6.56376998      12.96579444       5.33570997      -0.51248753       0.18777362       1.09997232
Li      10.40520003       2.35632001       3.32932000       0.27511065       0.37696388      -0.04405860
Li       4.71174999      10.63830001       7.94867996       0.19121464       0.24879584      -0.58438241
Li      10.05960007       6.44491001       9.37564003      -1.25809528       0.32749966      -0.34852668
Li      11.81769995       5.47728006       4.91443001      -1.39670402       0.97125117      -1.00528210
Li       0.19559995       8.47607002       9.99788999      -0.86138314       0.57621332       0.76084433
60
Lattice="12.99310009 0.0 0.0 0.0 12.99310009 0.0 0.0 0.0 12.99310009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-559.23549822 stress="-0.0050623768907263784 0.002330714823522658 -0.0032096062027370713 0.002330714823522658 -0.006542186450558898 0.0014629929182399413 -0.0032096062027370713 0.0014629929182399413 -0.01090403849562901" free_energy=-559.23549822 pbc="T T T" config_type=melt 
Cl       7.39567998       9.49406005       2.03183994      -0.31899142       0.45942680       1.31816068
Cl       6.01395006       3.18176997       3.49993994       0.46420680      -1.95115554      -0.45044099
Cl       5.43451003       5.56064002      10.64789996       0.09098962       0.51812580      -0.12821932
Cl       8.01777999       5.69514005       4.93555003      -1.11148015       0.51460233       0.42582583
Cl       8.17903996       5.38072002       0.44482801       0.00869223      -0.29594336       0.49737328
Cl      10.74860000       8.37918996       5.42958005       1.85761919       0.00197763      -0.96829996
Cl      12.73479999       5.12499996      10.31799996      -0.37222614      -0.83225440      -0.36874196
Cl       0.35139995       8.59753004       8.63821001       0.89252814      -0.16507246      -0.35091578
Cl       5.41517006       1.12172006       8.98123006       1.57049807      -0.73485289      -0.54901364
Cl      12.44240002       0.32652102      11.10229999      -1.22814809       0.55369472      -3.64168029
Cl       3.32141006       3.98928997       7.27527006       0.99373488      -0.31969331       1.56799425
Cl       7.83136006       1.12838006      12.82179997       0.46832437       0.56680501       0.38397583
Cl       9.00618006      11.09529996       8.02735006      -0.20889271       0.48556848      -0.36609779
Cl       2.67587998       3.70973004       4.44647000      -0.25962811      -1.42694407       0.09282959
Cl       4.28666006       7.35916001       6.04005995       0.54130936       0.75996142       0.13029087
Cl       9.18683002      12.68500003       3.59176997      -0.06026913       0.00971997       0.36351640
Cl       8.75088994       8.59836004       9.86562997       0.19578110      -0.51217152      -0.12534204
Cl       1.60835999       0.51346497       7.38727994      -0.42355000      -0.35711960       0.46634332
Cl       9.25752002       2.57510004       9.90126004      -0.06586457       0.14912904      -0.09289828
Cl      11.53529999       9.55993000      12.98990002      -0.28435865       0.40186372       0.11158389
Cl       1.05198999      12.33079994       2.93948997       0.17246166      -0.02844417       0.35611056
Cl       1.43100002       8.05283005       3.55048998      -0.16517622       1.12237495       0.79030562
Cl       5.24313998      11.29430007       4.13478995      -0.41126142       0.42824231      -0.03108694
Cl       2.41116999       8.69025998      12.74719995       0.34361799       0.16866275       0.48826880
Cl       1.93971003       0.51234795      12.80810004       1.50806995       2.45285420       2.14480026
Cl       3.70327000       5.81889998       2.74961998       1.51197689       0.07380658      -0.70868228
Cl      12.33550006       3.67455005       1.36530002       0.74799608       0.19192543       1.34366528
Cl       5.65535998      10.58260002      12.16619997       0.05237881       0.33896508      -0.32453875
Cl       7.30664996       9.01455996       5.45941000      -0.35358802       0.32410219       0.45662715
Cl       9.94455006       3.30194003       6.79615001      -0.86897147       0.74508205      -1.21495609
K        8.18192001       8.55468997      12.66599996       0.09598732      -0.38599021      -0.29121569
K        0.08939993       7.60360999      11.47250005       0.01167393       0.22557297       0.23051976
K        3.31595998       6.50349005       9.27101998      -0.66318160       0.10779401      -0.45254481
K        1.98940006       5.92474996       5.90835007      -1.14822103       0.40953759      -0.27809995
K        9.54400995       0.54681696       6.68238997      -0.08948779      -0.47491416      -0.38047656
K       11.76410003      10.44560000       3.19405001      -0.27014125      -0.19689980      -0.06949538
K       12.31479998       6.49581996       2.97863000      -0.92041821      -0.65982044      -0.24661877
K        6.61479999      12.53909999       1.62768995       0.15879151      -0.77294517       0.46545454
K       11.99000002       2.36958999       8.18223002       1.33796628      -0.16909108       1.07072250
K        3.54695001       0.74359005       5.34172006      -0.18177262       0.19698233      -0.14475027
K        1.77359000       9.88070002       6.01324999       0.02426060       0.01774328       0.03451038
K        6.75220995       3.49071003      11.67380007       0.34526891      -0.73005296      -0.21473527
K        3.20109006       2.22912003       9.69251004      -1.45891960       0.58903322       0.26675932
K        9.04567999       3.63929003       3.69236996       0.97108793      -0.97563827      -0.49715396
K        6.04758997       9.68952994       9.25010005       0.19048189       0.10810795      -0.08546666
K       11.34199995      10.28749995       9.50784002      -0.28560889       0.22376331       0.37325543
K        6.40727004       2.79187003       6.64011003       0.13336522       0.28153945       0.67373509
K        8.73291996      12.73100003      10.61549998      -0.14287719      -0.23809013      -0.32147056
K        3.60657002      11.49309996       1.35170001      -0.34069173      -0.58305985      -0.01475732
K       10.74150005       3.38127006      12.30839997      -0.63452437      -0.01427714      -0.98450882
K        1.66559005      11.75100000      11.17170003       0.35511631      -2.85432104      -2.15272414
K        9.48820004       5.81501998       9.41134000       0.15406862      -0.47338722      -0.19492817
K        2.48549001       2.71214996       1.95943005      -0.49273541      -0.06272655      -0.78794544
K       12.07249997       0.06746420       0.49547004      -0.42796103      -0.31614686       3.18825586
Li       6.54520998       4.65786995       2.06028002       0.12071919       1.15714691      -0.59832435
Li       9.06669997       8.45991999       6.49558998      -0.84432656       0.06933648       0.81535060
Li       5.20232995       4.63729004       4.68317998      -1.31748225       1.71826713       0.45260774
Li       5.62652998       8.43141001       4.08196001       0.23693024       0.07266967       0.20827428
Li       7.78376997      10.92130000       4.38218001      -0.21930787      -0.26912845      -0.50190839
Li       2.91831005       7.65665003       2.08788997       0.01416038       0.35575587      -1.17907846
60
Lattice="12.99310009 0.0 0.0 0.0 12.99310009 0.0 0.0 0.0 12.99310009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-557.43626028 stress="-0.00910204370771455 0.002194219609973228 -0.0005183276420456928 0.002194219609973228 -0.006262338071685337 0.0018206366277792087 -0.0005183276420456928 0.0018206366277792087 -0.011840056086031236" free_energy=-557.43626028 pbc="T T T" config_type=melt 
Cl       3.08518004       7.67751994       5.24597001      -0.18635195       0.26877022      -0.38716523
Cl       4.33425002      12.02380001      10.60950003      -0.65537957      -0.13461348       0.34189537
Cl       5.69937996      10.43339999       1.53939002      -0.43360062      -0.40949865      -0.44949148
Cl       0.97263099      12.76480508       6.25092004       2.37241804       1.66931052      -0.02036803
Cl       7.22906997       7.18363999       5.20101999       0.14678441      -0.21893813       0.24029088
Cl       1.33937995      12.00200006      12.84565712      -0.28142720      -1.55558760       5.96872123
Cl       9.75721997      10.70919998       1.62852996      -0.01699283       0.20316838      -0.84377803
Cl      10.88400006       1.46355995       8.87744001      -0.13631803      -0.49923569      -0.25828232
Cl      11.16019997       3.06830006       2.51087995       0.05162080       0.67972832       0.09896585
Cl       4.73502999       2.47226004       5.91380002       0.81173722      -0.36359131       0.90652293
Cl       3.67707006       1.04071003       2.24862995      -0.56530460      -2.24991972       1.37742931
Cl       6.75839999       2.59632998       9.63593003       0.11110093      -0.25238038      -0.44605584
Cl       0.96675499       5.50522004      10.52520001       0.19590044      -0.09132211      -0.26747925
Cl      10.55180001       5.83034001       7.46592003       0.11354791      -1.01994579       1.02069335
Cl      10.91599998       7.12971005       4.20852995       0.65552732      -0.10084582      -0.89542999
Cl       7.66771002       1.11379998       0.59879299      -0.28967503       0.14372127      -0.17546106
Cl      12.93929995       1.88044005      11.62589996      -0.48711262       0.26226202      -0.14636212
Cl       3.09620001       7.23066994       0.46794897      -0.19271712       0.06275338       0.21570529
Cl       0.22089297      11.31019998       2.87292996       0.61750064      -2.34975495       0.67046977
Cl       7.33631996       5.93184003      10.49909999       0.79860878      -1.68229847      -0.19754709
Cl       3.21507999       2.37060995      12.05990004      -0.68755379       0.32359234      -2.17063262
Cl       4.18633995       6.85009996       8.51600003      -0.23659945       0.10957735       0.77955776
Cl       0.72007306       9.74477998       8.91111007      -0.22764909       0.27122187       0.23349390
Cl       9.73902001       9.50061001       6.65949002      -0.17216330      -0.19953573       0.12353890
Cl       9.18775006       0.25186098       5.21400997       0.15137482       0.44285737      -1.01890510
Cl       5.46465999       4.41010998       0.23770500       0.13681537       0.37724820       0.06515316
Cl       4.82713002      11.61390006       5.48947006       0.22726385       0.62741319      -0.67096839
Cl      10.38509996       6.11880996       0.42199991       1.95740348      -0.32395816      -1.82878208
Cl       2.97033000       3.92101006       3.82007004       0.66955161      -1.09965859      -0.23495302
Cl       6.96559004      10.14449997       9.03147997       1.32540715       0.65917568       2.10590409
K        1.50595994       3.05100000       8.68640999      -0.42298241      -0.04664128       0.36232059
K        7.03818003      12.77939997      11.00900004       0.16726895      -0.08178445       0.27811659
K        8.26972998      11.95980003       7.33245997      -0.16282020      -0.25025115       0.61064401
K        5.14995996       9.67483007       7.39111004      -2.04260738      -1.52713126      -1.06510325
K        3.18264999      10.36110002       2.96034000      -0.61981900       0.25882050       0.49080521
K       11.74899997       8.91962003       1.91351997       0.30468454      -0.42945152       0.42881698
K       10.41180000       1.72604006       0.13225495      -0.11365204      -0.20504578      -0.13026876
K        7.74210006      10.98719996       3.39636999      -0.05814410       0.27827785       0.84143692
K        5.81585998       7.55752996      11.80490006      -1.25660731       1.36305061       0.81111279
K        1.05960005       7.45834999       7.16401001      -0.29732270      -0.09727907       0.61761994
K        0.94055505      12.30020002      10.68100002      -0.98682387       1.09951784      -6.66014711
K        6.28663001       1.81873998       3.07886994       0.53926868       0.13058238       0.29218736
K       12.67310004       0.74744406       2.53222995       0.14526927       1.17772925      -0.03347882
K        0.21929988       9.00566995      11.71470001       0.39219385      -0.44068728      -0.15240633
K        8.57513007       6.68917003       2.00996996      -1.28363075       0.40815678       1.78007424
K        5.63656001       4.93339006       7.16018004       0.36165684       0.05561011      -0.24049354
K        0.58301196       4.19424001       0.20760102      -0.01013180       0.17007822       0.05244503
K        9.19977998       2.63345998       6.85372998       0.08578975       0.37951675      -0.23494433
K        1.31814000       5.82103994       3.50766005      -1.22659628       1.33098902      -0.18046379
K        4.15308996       0.20799991       7.96942994      -0.14134541       0.04932931      -0.26142418
K        8.31869006       7.70611996       8.68338000       0.56796445       0.20674382      -0.67421293
K        5.06934999       7.60801998       3.32798003       0.13700791      -0.21482392      -0.62263248
K       11.79309998      11.52960004       6.52850995      -1.22964095      -0.71191898       0.06624636
K       10.36420004       4.00941005      10.00600002       0.17570000       0.61607426       0.34480296
Li       3.91086999       4.87989994      11.23300005      -0.50624792      -0.18506279       0.45915378
Li       3.28657998      12.13390003       0.16315397       2.01062420       0.45907254      -0.15935507
Li       3.91019006       2.42324006       0.90176104       0.91274660       1.87209651      -0.07123648
Li       6.79498999       3.80676004      11.51190006       0.06444921       0.06364158       0.11038332
Li       9.93464997       7.24273001       6.08255999      -0.57028639       0.85405691      -0.66630199
Li       3.38350006       1.40218002       4.65975005      -0.70968336      -0.13298230      -0.53037717
60
Lattice="12.99310009 0.0 0.0 0.0 12.99310009 0.0 0.0 0.0 12.99310009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-555.81318696 stress="-0.008546569293442033 -3.989975210603198e-05 0.0021453294944996366 -3.989975210603198e-05 -0.011410262390966479 -0.0021798724214663065 0.0021453294944996366 -0.0021798724214663065 -0.010095248426433662" free_energy=-555.81318696 pbc="T T T" config_type=melt 
Cl      10.31279999       0.45546299       2.81720996       0.70104739       0.30555470      -0.65388172
Cl       1.25107001       7.64211998      10.37039996       0.06279444       0.38731227       0.20652694
Cl      11.76110006       3.00798998      11.48069999      -0.41102352       0.57909491       1.25935853
Cl       8.15021996       3.71608003       0.40995803       3.20621432      -0.31044542      -0.55718024
Cl       4.78856000       7.23298999       1.77293995       0.12857728      -0.05275258       0.30473790
Cl       7.44883995       1.68229995       8.68980002       0.34001053      -0.18080664      -0.29349278
Cl       7.25889005       5.58422003       7.16486002       0.70682691       0.50246874      -0.63139721
Cl      12.53170003       2.83887998       4.09511994      -0.62444198       0.70969609      -1.16128966
Cl       4.01120998       6.11200002       6.37125004      -0.50777019       0.01983978       0.11379744
Cl       9.93375994      10.60549997       1.19489005      -0.86164706      -0.04362269      -0.78330922
Cl       7.53313996       0.20564400       3.95899006      -0.09388963       0.18806738      -0.24620354
Cl      11.41939997       7.74897003       0.85021195      -0.00768969      -0.17076295      -0.20476932
Cl       5.54511002       1.52596996      11.68600007      -0.05802048      -0.41839111       0.85879933
Cl       6.73420996       6.49063000      11.71670003      -0.40318384      -0.56819900      -0.76736807
Cl       9.01614005       9.96554003       5.23581005      -0.19760754       0.12135911      -0.06234167
Cl       9.75633994      12.13349998      10.32200001       1.73622388       0.52296525      -0.63314996
Cl       8.84545996       5.26208002       4.01143996      -0.66800823      -1.54791504      -0.51778790
Cl       0.73629897      11.29069994       7.65144006       0.31353521       0.97535372       1.46735021
Cl      12.16059994       4.70090998       8.16737995      -0.64023948       0.10174300      -0.03330798
Cl       5.60109001      10.45139999       7.10077000      -0.56103478      -0.53796623       0.32799816
Cl       1.58415995       4.26758996       1.99597002      -0.07103601      -0.73868892      -2.02717138
Cl       1.96326002       2.77775004       8.07452996       0.50143852      -0.68387609       0.41462829
Cl       2.82176001       0.02261501       2.01876005       0.18142483       0.38301126      -0.48158744
Cl       0.11620795      10.77209997      11.99569996       0.55588228       0.55213193      -0.39157333
Cl       9.40223002       8.51042001      10.22480006       0.28894320       0.04233678       1.49711261
Cl      10.50440001       0.77278996       6.70342995       0.67325025      -1.58690150       0.51358393
Cl       4.87986005      10.65690003       0.19529097       2.11875767       2.11548419      -9.35202166
Cl      12.63189996       8.61933000       5.26060998       0.63966121      -0.12549506       0.05084462
Cl       3.33727997      10.19189997       3.74782997       0.68104669      -0.14908727       0.43714764
Cl       3.98491000       2.45490996       4.22921003      -3.46966934       1.97999950      -1.70988801
K        4.98489003       0.30604598       4.58267004      -0.06890132      -3.69172027       0.95901518
K        1.26730995      10.41430001       1.94042998      -0.87840207      -0.14404257      -0.46529004
K        9.00760995       1.35599994      12.39750002       0.38784117      -0.61021509      -0.26564133
K        2.33603999      11.94669999      10.08920004       0.24331158      -0.08677060       0.21916766
K       11.57620006       5.00739005       1.49953004       0.14100779      -0.42914823      -0.08237710
K       12.01679998      11.44569996       5.66386994      -1.50740081      -0.09638780      -1.43654982
K        0.45922800       1.44133005       6.14793997       0.26909216      -0.39225167       0.65255412
K        7.75740996      12.08450001       7.91445003       0.72730338      -0.24347613      -0.86251709
K        8.26846003       8.12218995       0.32001395       0.40074490       0.07127041       0.58732237
K        6.82932997       4.13436001       9.30748005      -0.97018354       0.17165761       1.69132721
K       11.51900001       9.67345995       9.16767000       1.42106493       0.32435367      -0.92185114
K        1.93774001       5.27757001       4.33484004       0.10253756       0.45272044       1.68670516
K        6.02304003       4.43785999       1.27792999      -2.76339986       1.03737806       0.91394006
K       12.25470000       1.01594999       9.81081001       0.05740531      -0.48574142      -0.97694691
K        7.16476998       7.82948997       9.07936006      -1.44868004      -0.08393837      -0.92074721
K        2.35780005       9.29377999       6.83552002       0.75845649      -0.91618118      -0.62813190
K        2.49110004       6.25487994       0.02191468      -0.04101131       0.39561389      -0.28042346
K        5.84188997       3.67597994       5.24099001       2.20602783       1.49295087       1.41071981
K       10.09069996       5.14696999      10.46450002       0.35684133       0.27896026      -0.11368131
K        2.29000998       5.50057006       8.86622995      -0.30655845      -0.29445182      -0.38319320
K        6.15861004       7.42470994       5.05973003       0.20808208       0.69722009      -0.31689740
K        7.71232001      11.10180001      11.37180001      -1.73884240      -0.75052747       1.02860456
K       10.18450001       7.52588994       4.18673000       0.79590706       1.17533371       0.01103934
K        9.81984996       3.25017994       6.58112005      -0.27742694       1.61405899      -0.09372351
Li       4.58066001      10.37410000       1.77173003      -1.93139559      -2.11323518       9.59004510
Li       4.88372004       0.47424698       0.71143200      -0.35909883      -0.11486626      -0.43946221
Li       1.37157997       1.76376994       2.21025002      -0.07189457       0.67376389       0.34381999
Li      11.14590002       9.94529002      11.98789995      -0.62457744      -0.23622282       1.06086924
Li       8.58283004      11.53700000       2.84665999       0.75080406       0.25295142       0.57765456
Li      10.03299994       2.63986999       2.77098999      -0.09902726      -0.32056454       0.51048475
60
Lattice="12.99310009 0.0 0.0 0.0 12.99310009 0.0 0.0 0.0 12.99310009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-560.03084033 stress="-0.010906425448447039 -0.0029463413950223086 -0.00043128707598727185 -0.0029463413950223086 -0.010019835648322052 -0.0039223529905598785 -0.00043128707598727185 -0.0039223529905598785 -0.001119257119795316" free_energy=-560.03084033 pbc="T T T" config_type=melt 
Cl       6.94154995      10.23289996      12.37870004       0.41170360       0.49112548       0.10612713
Cl      11.86440001       4.49304000       2.30664999       0.22567851       0.50655250      -1.19997817
Cl      11.79710004       3.52435995       8.98899006       0.57732091      -0.53929487      -0.35027263
Cl      11.62009997      10.40300004       7.81739001      -0.99979418       0.93744577       0.20014183
Cl       1.45527996       6.64912997       1.53853000       0.07499953       0.19516435      -0.37238683
Cl       9.13647006       3.30697005       6.10832999      -0.37507006      -0.10367706       0.41086283
Cl       4.57719994       2.37468004       8.22896997       1.05862817      -0.20053494      -0.49004167
Cl       8.40098004      12.44350001       7.83593000      -0.00854645       0.02221214      -0.94569097
Cl      10.83499996      12.22530000      11.37930002       0.84314140       0.29625341      -0.12066751
Cl      10.55919997       9.16685001       4.50012994       0.71031452       1.89116728      -0.47002501
Cl       1.19071004      11.18259995       0.38106905       0.12001635      -0.21226727      -0.29164688
Cl       2.99448002       4.47250999       5.92043001      -0.23833479       0.42947031      -0.32527630
Cl       1.11805003      12.52079999       9.30716003       3.09623100       2.84282996      -1.47472126
Cl       1.14007996       0.11511302       4.09506004      -0.11575405       0.55327476      -0.19836874
Cl       8.72792996       2.61619994       0.72597206      -0.06854003       0.34197493      -0.34892209
Cl       2.48344996       5.71536004      10.05510004      -1.26989383       0.58011043      -0.33429293
Cl       2.36875999       9.30765000       4.20240994       0.16934780      -0.32432481       0.29206896
Cl       4.45194997      11.76360006       2.38956000       4.92174611       2.44255807       0.59573701
Cl      12.48710005       6.06088997       5.83387998      -1.06744347       0.33609956      -0.67061225
Cl       0.89552902       1.82587995      12.52189999       0.31581185      -0.30999554      -0.02139089
Cl       6.32739002       6.53134998       7.95445994      -0.00657367      -0.34470108      -0.16914915
Cl       9.12764995      12.41950007       3.80777000      -0.96224189       0.75407679       0.00889379
Cl       5.47856001       2.68640998       3.10553997       0.11565125      -0.09563943       0.30295292
Cl       8.40375004       4.05962006      10.30600005      -0.41286656      -0.22708344      -0.26863508
Cl       5.31563005       5.94584997       0.26275998      -0.50932273       0.02578009      -0.29828737
Cl       4.04668998       1.13779005      11.26079996       0.14020782      -0.11096209       0.57463582
Cl       5.35712000      11.34860005       8.28782001      -0.61415408      -0.49721135       0.08826744
Cl       8.00622003       7.07736994       3.80480003       0.36022246       0.13228829       0.01148117
Cl       1.50906997       9.36125004       9.22083998       0.51575596      -0.11045248      -0.11891419
Cl       9.88754998       7.39151998      11.74589995      -1.36880889       2.58709706       0.80983940
K        6.85923996       0.94695299       9.49204002      -1.00331065       0.47260690       0.82994953
K       11.58300000      11.97610000       4.77325998       1.19046737      -0.19476425       0.62754869
K        0.15994194       3.85338006       4.61503001       0.97817917      -1.20830959       0.18555172
K        3.15753004       7.42201998       6.88067000       0.31085342      -0.14955331       0.13689264
K       12.85770003       8.78579006       2.83911996       0.59171892      -0.16672687      -0.51866646
K        8.56788005      10.15800006       2.32388001      -0.55932300      -0.88132707      -0.76387790
K        6.87799004       8.23186003      10.32609998      -0.16800201      -0.47023260       0.23587651
K        3.77901003       6.28043997       3.32527005       0.28215977       0.04175064      -0.36270718
K        9.06026995      10.81259998      10.01109994      -0.43273485      -1.10219046       0.26011093
K       11.08300004       5.48078001      10.80479996       0.97076766      -1.96030370      -0.82134933
K        8.14016006       5.84731004       0.58089994       0.05552206      -0.31961507       0.38857689
K       12.92569994       8.03147004       7.41674998      -0.04102876       0.49190853       0.45832155
K        8.64777995      10.15119999       6.20951999      -0.50384948      -0.25443860       0.18276557
K        5.91101001      12.97080003       5.67185005      -0.29156228       0.12537422      -0.24818266
K       10.08140002       2.71489995       3.16092995      -1.07644788      -0.60366694       1.00451390
K       11.24249996       1.46545005       0.06869595      -0.29773860       0.02665100       0.16735472
K        2.95527997       1.91800999       1.79771000       0.08379305      -0.59700763       0.18681706
K       10.70139996       0.85632598       8.29464996       0.79970563       0.57969424       0.18004074
K        5.93389996       3.84808005       6.08144999      -0.11634375       0.27732771      -0.62275128
K        1.83384004       2.73588004       8.36584994      -0.52343065       0.13236543       0.12767460
K        6.69262996       0.69220897       0.66977105      -0.81039305      -0.39194294       0.21005504
K        1.13368995       4.51362003      12.55720003       0.11133590       0.77383266       0.08786773
K        1.94962000       8.20436000      11.63999995       0.30791405      -0.22411105       1.26714707
K        4.66748003       4.30617999      10.52610005       1.37030052      -0.56765990       0.46699670
Li       2.85965997      11.02640001       2.16538004      -4.67509830      -2.09549084      -0.31652785
Li       8.13959005       4.23791996       8.07060994       0.48060316       0.40139271       0.11069124
Li       3.01434998      10.91560005       8.98759005       0.54296158       0.79688050      -0.23028460
Li       1.63873006      12.90650004      11.62259998       0.65110822       0.10108244       0.24506853
Li      12.78860000      11.53650003      10.06920002      -3.34859860      -2.63903609       1.44172208
Li      10.46019995       7.23633000       4.72997996      -0.51896121      -2.68382686       0.15107549
60
Lattice="12.99310009 0.0 0.0 0.0 12.99310009 0.0 0.0 0.0 12.99310009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-559.22707357 stress="-0.004142911202065645 -0.004345885284809169 -0.0007901367511953149 -0.004345885284809169 -0.010717144375397442 -0.0009026465130154521 -0.0007901367511953149 -0.0009026465130154521 -0.006442488659487497" free_energy=-559.22707357 pbc="T T T" config_type=melt 
Cl       8.45787007       3.75888995       4.13467003       0.86771189       0.92250500       1.18403731
Cl      10.60870004      12.75249997       4.68621998      -0.08072237      -1.03375222      -0.44887606
Cl       5.66634006       1.23641002       4.14525005       0.05944264      -0.44831223      -0.30467688
Cl      11.27430005       8.00420000       7.55543001       1.15426884       0.61696837       0.66224643
Cl       6.61489003       8.18586004      11.46360003       0.14877299      -0.68603935       1.12997052
Cl       7.76412999      10.29999997       5.27254999      -1.27832081      -1.12346105       0.24289879
Cl      11.37050005       8.36856005       3.99740000       0.03612369       0.18658976       0.14603566
Cl       8.78046003       2.77850000      10.42139996      -1.33627324       1.14332037      -0.54281807
Cl       2.10345999       9.61384007       9.42310006      -0.05999322      -0.25655774      -0.34926165
Cl       2.30215996       7.51205995       2.03606998      -0.75167586       0.51152762      -0.05971643
Cl       9.29654999       5.84025998       1.44597002       0.32712785       0.32329886      -0.42937075
Cl       7.36319996      10.07239996       9.32955000       1.90558873      -0.82934579      -1.31349684
Cl       2.67907005       5.74596997      11.71360001       2.13325302       0.54285749       0.58354943
Cl       6.84265999       5.35561995       8.09048003       0.13627193       0.00638755      -0.27151904
Cl      12.93890002       2.87219000       0.17146799      -0.06923922      -0.15355011      -0.14779260
Cl       5.78527007       7.47812003       2.11408003      -0.37964526       0.23718678       0.37877066
Cl       8.35167005       0.76108006       1.60909995       0.39462822       0.95419174      -0.61756921
Cl       2.68050994      12.97286827       7.55976997       0.08619149      -0.35853254      -0.37120186
Cl       5.84179005       3.91362998       0.24708303      -1.14247469       2.18412045       0.36521965
Cl       5.62365994       0.80867496      11.69189997      -0.21473968       1.36846386       1.63709770
Cl      12.58720006      11.53020006      11.89660003      -0.20387945      -0.53426157       0.53408353
Cl       9.20131005      10.54850002       0.96344097       0.49435400      -0.17989266       0.19451770
Cl      10.26960001       7.64393005      11.07030006       2.34590783       0.23163810       0.78563799
Cl       7.28502996       0.46802901       7.37369006      -2.48957495      -2.76594785      -0.04672678
Cl       2.49451995      12.59389995       2.00436006      -0.22743533      -1.40139116       0.32814387
Cl       3.41771999       3.95365003       3.60398998       0.38831825       1.18241270      -0.76092799
Cl      12.85259998       4.21016994       4.56877002       1.32186752       0.34463808       1.18693840
Cl       1.40195004       3.22729000       9.08824994       0.20805801       0.39687206      -0.18418572
Cl       3.86779994       8.12352005       5.47493000      -0.58759850      -0.41992710       1.34266734
Cl      11.16769998       0.26950002       8.49723994       0.30912383       0.09617120       0.21894595
K       10.05390000       0.84184699      11.31789996       1.12985102      -1.88104300       1.03314624
K        0.34166604       5.55511003      10.82580006      -1.85140031      -0.70354172      -0.78613976
K        6.56707997      11.66559999       2.00328994      -0.05303241      -0.05747237      -0.30938366
K        1.27885003      10.19519996       6.41317995       0.18118508       0.28990411       0.35994071
K       11.58470001       4.53743001       2.34744001      -0.59048325      -0.17308800      -1.40385243
K        4.24239998       9.79256003       3.49568002      -0.11254962       0.03926907      -1.49680662
K        0.84632701       0.57087706      10.52319999       0.53170256       0.75455050      -0.67623379
K        8.89388005       2.18028001       7.53329003       2.06519984       2.58880120       0.14360596
K        9.22273996       5.44404995      10.16160006      -0.86744148      -0.31878351      -0.30675481
K        2.39152001       9.15316996      12.22530000       0.22886271       0.02574562       0.49007283
K        4.90613002       3.71353000       9.66916001      -0.18652631      -0.59809931       0.60820150
K        0.76418502       6.86128001       4.95760998       0.41687023       0.19486940      -0.15446495
K        2.54598003       2.78123999       5.76715002      -0.48294443      -1.03401989       1.18984739
K       11.84659998      12.38250001       1.57642997      -0.12335627       0.18914156       0.33899562
K       12.10629996       9.83190002       9.68970002      -0.03966783      -0.04163193      -0.11088597
K       11.29590004       2.27362997       5.38831994      -0.53812571      -0.34982474       0.62191760
K        5.37440005      11.60920006       5.85524999      -0.34565379       0.97122117       0.74335302
K       11.46619995       8.15271997       1.07895002      -0.64413398       0.18807299      -0.08123889
K        4.98673999       7.33254001       9.44836995      -0.29724768       0.37558368      -0.30179246
K        9.71032995      11.19170005       7.14965004      -0.32523115      -0.05350477       0.50156898
K        5.49453997       5.47216000       5.28177003       0.13040442      -0.02044742      -0.63620577
K        9.44159002       6.86726996       6.10697000      -1.05549881      -0.43837845      -1.15008425
K        3.09827995       2.15511003       1.38905998       0.30952185       0.63846249      -0.45637577
K        5.93845001      12.12379998       9.82038995      -0.90057282       0.21916228      -1.18467610
Li       8.91981999       9.09341002      10.82080006      -2.22076960       0.96906714       0.18113929
Li       7.57412994       2.24985000       3.07114996      -0.84709037      -0.88719818       0.00717496
Li       3.47510999       6.03694005       0.86183896       0.56557410      -0.12303122       0.27643417
Li       7.15625002       6.03420006       1.26835005      -0.25959574      -0.16707482      -0.40792048
Li       6.95163000       2.32669002       0.11828100       1.09452623      -2.13147805      -0.49741276
Li       9.28145006      10.91700006       4.18464006       1.59218536       0.47658754      -1.60779087
60
Lattice="11.35711806 0.0 0.0 0.0 11.35711806 0.0 0.0 0.0 11.35711806" Properties=species:S:1:pos:R:3:forces:R:3 energy=-423.83730835 stress="-0.034524738921967425 -0.005221241785330139 0.00183394625277508 -0.005221241785330139 -0.02666834385503973 0.0011955457813655798 0.00183394625277508 0.0011955457813655798 -0.014082772515263506" free_energy=-423.83730835 pbc="T T T" config_type=melt 
Cl       4.12231995      11.00059995       7.52317999      -0.01734668      -0.91624173       1.45510605
Cl       0.08462018       4.87827005       4.09366003      -1.44865224      -0.12023321       0.43133948
Cl       8.37451001       3.33148997       2.69412998       0.39267526      -0.05716351      -0.09153699
Cl       6.24530000       1.75220002       7.83912002       1.16772237      -0.41041364       0.50439376
Cl       4.73969004       9.64054997       2.15926003      -0.20150735      -0.13710058      -0.04902813
Cl       2.99504000       5.05709003       1.08761998      -3.32944206      -3.70228288       0.60978852
Cl       1.45626998       6.07613005       7.09971996       3.96801765      -1.16530235       4.28284715
Cl       6.57444996       6.81883004       2.57518995       0.12727218      -0.23017681       0.41577385
Cl       1.02849005       2.12046003       1.75637002       0.86205251      -0.19018588       1.09045307
Cl       6.10627003       4.33506000       0.26105301      -0.72390005       1.03701855       0.23475330
Cl       8.86437000       4.17166004       8.13213003      -0.45045273       0.07550960       0.95992306
Cl       9.31737000       7.26591003       0.78464898      -1.31298620      -1.46161770       0.06032060
Cl       3.23780999       3.80480002       8.61203005       2.35222780      -2.62145706      -0.66752774
Cl       3.77541995       1.30832001      11.14019994       0.63428197       0.49589519      -0.03384677
Cl       6.72660002       8.69271000      10.39429998      -0.51058053       1.21202327       0.11968033
Cl       0.82126796       1.81191995       7.16084999      -0.66348962       0.14993816      -0.47806640
Cl       4.27723001       1.38492003       4.34809003       0.13138613       0.06323981      -0.23726897
Cl       6.26186005       4.13160995       5.04855005       0.14828420       0.20658142       0.75196080
Cl       1.77767995      10.54590001       4.35982000      -0.41310781      -0.97147564       0.85247399
Cl       8.61683003      11.20109999       7.36972000       1.80285149       0.24949563      -3.02979416
Cl       0.27346203      10.54259998       0.78973401       1.59794477      -1.35127541      -0.12778541
Cl       5.59189002       6.85917995       7.16801996       0.06074151      -0.34558072       0.03696702
Cl       2.71765000       5.92217001       3.84501001       0.96234658      -1.81611476       1.24587565
Cl       2.94957996       7.72246004       9.81059999       0.25311309      -0.53400053       0.49268281
Cl       6.94435004       9.34885000       5.41246005      -3.88358629       0.12602398       0.93058632
Cl       9.19611005       1.54282996      10.71329996      -1.58199360      -0.29385879       0.37274445
Cl       1.14196004      10.60419996       8.91451996       0.59892827       0.30060870       0.49326704
Cl       0.38627501       3.81209004      10.77879998      -0.91360709       1.01571365      -1.04408496
Cl      10.42339998       8.95216995       8.17397000      -1.41964238      -3.40291135      -0.05396104
Cl       8.75888997      10.64909999       2.25265995      -0.29249582      -0.71308006       0.95448587
K        6.77023997       1.08194005       1.78954995      -1.42786965       0.12477952       0.08828858
K        7.95624995       6.70260004       9.08140998       0.73531393      -0.35251313      -0.23832207
K        9.33942996       3.37050996       5.63528001       0.21220981      -0.61049908      -0.86927341
Li       7.16869003       8.63780004       1.27773995      -0.22908232       0.14080886       0.46756767
Li       2.16186002      10.69509995       6.98877000      -0.75499175       0.54345819      -1.19853221
Li      10.82929997       8.41267004       0.49580601       1.92482671       1.71664502      -0.05404231
Li       2.90838996      11.08949995      10.03410001      -0.07226350      -0.58949893       0.13643627
Li       4.13639005       6.31174005       0.75044395       4.49853708       4.41699186      -1.21814969
Li       2.46484998       3.41519000      11.23810001       0.21293284      -1.26441450      -0.61873984
Li       7.59794003       0.07226023       8.92662995      -1.52234984       0.29758834       2.36456138
Li       8.52809005      10.12369995       5.16383002       3.97650611       2.20821986      -0.73776345
Li       8.62605996       5.48787995       2.04865999      -0.59297885       0.21586283       0.04681571
Li       2.25873998       5.35911998       8.92189005      -1.35613366       2.32580426       1.40193340
Li      10.31569998       2.52145000       2.12527000      -0.03010318      -0.12969746      -0.15547679
Li       3.07549996       7.79836001       3.67651002       0.76288304       3.13442588      -0.38100064
Li      10.15689998       2.68076004       9.26171002       1.38298117       0.68984040      -0.80097805
Li       1.24647006       4.39452996       2.16798003      -0.39434101      -0.11846915       0.24429988
Li       4.29725000       1.72414999       8.59657994      -1.22260083       0.06527761       0.63392392
Li       2.37200997       4.57485999       5.80957997      -0.15496899      -0.41537132      -0.13116656
Li       0.27398196       6.61827003       6.00787003      -4.88680879       1.96526856      -4.86357740
Li       2.59966000       0.50859298       2.71427001       0.07380153      -0.20175868       0.00058018
Li       5.08674994       7.95871002       9.04017001      -0.29231325       0.22082685      -0.24256148
Li       6.02596998       3.73101998       7.38887003      -0.06459411       1.74154669      -0.66566055
Li       4.47939001       3.53081000       3.98787995       0.15282393       0.26033307      -0.40554191
Li       6.63513002       7.52567004       4.81958998      -0.79196851      -2.30623046      -0.62954352
Li       7.28561997       3.04106995      10.74539994       1.20840899      -0.79646406      -1.02629636
Li      10.80290001      10.69260002       7.19750997       0.57068842       1.63435487      -0.08829695
Li       5.46192995       0.23693901       6.10467004       0.68610589       0.26635861      -1.18752538
Li       1.01791998       8.29221997       8.94513001       0.08101681       0.29344562      -0.16356503
Li       9.77526004      11.15699996       0.45560601      -0.58272336       0.03150453      -0.19091595
60
Lattice="11.35711806 0.0 0.0 0.0 11.35711806 0.0 0.0 0.0 11.35711806" Properties=species:S:1:pos:R:3:forces:R:3 energy=-422.90634976 stress="-0.02925947686503653 -0.002999084468977417 -0.0003828288667036827 -0.002999084468977417 -0.030063647562120266 0.004375796000879955 -0.0003828288667036827 0.004375796000879955 -0.021190877971398247" free_energy=-422.90634976 pbc="T T T" config_type=melt 
Cl       6.09167999       1.77485997       1.84398996       1.00657966       1.44456425      -1.99665398
Cl       7.26164998      10.68290002       3.59815999       1.53740748       0.02057334      -0.11641803
Cl       5.71228002       3.45501998       5.29976995       0.29777339      -0.19894686      -0.43984120
Cl       5.06687998       8.67715994       7.74917006      -0.01708693      -0.78391194      -0.46165311
Cl      10.26750003       0.18740199       5.69367002       0.03904939      -0.59679465       0.82275047
Cl       0.50317802       4.56358998       0.14852101       1.17728758      -0.67190740      -0.37289046
Cl       5.00505002       3.22506003       8.68687005      -0.28123389      -0.07053661       0.22189188
Cl       3.13096994       2.40035995       2.51100997      -0.57116089      -0.79744713       0.30026335
Cl       0.24817404       1.37097996       8.42820999      -6.46738386      -0.77418156      -0.42310440
Cl       6.13445998       6.25130996      10.71520001      -0.43451760      -0.40022269      -0.32568722
Cl       3.29620999       1.01821004       9.86758001       0.93425199      -1.26546515       1.57798437
Cl       8.45829000       4.01373999       1.15921002      -1.09750163      -3.65734400      -0.36839817
Cl       4.15782002       5.31517997       2.04128002       0.21617239       0.41257555       0.23449840
Cl       9.94628995      10.48910000       0.30263403       0.70213561       0.09482561      -1.07973265
Cl       1.74305005       9.02098000       6.78049999      -0.58110735       0.32370792      -0.23647826
Cl       7.65483999       4.45630996       8.10329999       1.73341811      -0.22861366       2.91606506
Cl      10.77750004       1.67853003       3.09210997      -3.36690739      -1.78571516      -2.48501003
Cl       7.84403004       7.68525004       2.37622006       1.34987486      -0.64296182       0.07526900
Cl       4.88916005      11.31339997       6.06245994      -1.26577660       0.54128064      -1.80396833
Cl       9.27788005       6.32326003      10.79739999       1.04443752       1.75462226      -1.15580970
Cl       0.94335198       8.12621002       3.17278004       0.11843630       0.61663377       0.20372579
Cl       4.44563995       9.91407003       2.09115003      -1.62974085      -1.33087628      -0.12549208
Cl       9.42536995       3.64543001       4.96663002      -1.49552356       0.31140667       1.20956407
Cl       6.09939000       9.51504996      10.45929994      -3.03512954       6.29395574       2.16295712
Cl       3.18910998       7.41847997       9.99123995      -1.15954593       0.31181206      -0.20451250
Cl       9.29977998       7.20016004       6.50204004      -0.47413983      -0.00703805       0.03892561
Cl       4.33880002       6.36000996       5.49431001       0.34728974       2.27225291       1.82244555
Cl       7.70218997       0.49085203       8.32694004      -0.62114729       0.62197126      -0.30929730
Cl       0.60099802       4.97368995       3.43301999      -3.08326165      -2.26742252       1.95330655
Cl       1.92388001       3.44348001       5.40866995       0.63157163      -1.12238360       1.83278961
K        7.28953000       9.76999000       6.14832998       0.78041775      -0.78852501       0.95653096
K        0.23661102       8.19147995      10.73839999       0.05504766      -0.39267472       0.21343113
K        9.30441005       1.51929994      10.38459998       0.44344857       0.73595325       0.49457616
Li       3.97089004       5.84655000      11.20969994       0.17528897      -0.32761371       0.51251672
Li      11.03788901       2.80127996       6.19980998       0.27817497      -0.35225264      -0.04062617
Li       8.90012005       0.90071600       4.22571004       0.09121734       0.54550315      -0.35247538
Li       7.81446996       5.03696000      10.04189996      -0.02760080       0.08327018       1.23915148
Li       9.72124002       3.78235995       2.80753001       1.45474578      -0.14741022       0.40398079
Li       1.91451005       1.69906995       8.58170995       5.89669873       1.96916295      -0.25392355
Li       3.73711001       1.90298996       5.12528998       0.24635762       0.14445332      -0.17785574
Li       4.05833996       9.58642002      10.45040005      -0.89635904      -0.08603531      -0.06549367
Li       6.24724003       8.81909996       2.65868998      -1.14378876       0.43242292      -0.01140150
Li       8.99130998       9.81589002       1.91270995      -0.70109740      -0.77918739       1.37340806
Li       5.19765004       5.49496997       8.06467000      -0.13431255       0.04207531       0.36257560
Li       5.70395003       0.03696935       2.49048005      -0.68055022      -0.70596119       0.67178046
Li       1.02950004       2.31926002       3.64965997       3.61582855       1.79601139       0.54368246
Li       1.58626004       6.12726003       2.46644997       2.24362556       2.35811111      -2.55233279
Li       2.29605005       2.56024001       0.36074205      -0.42399862       0.39600817       0.30014305
Li       3.83502995       4.88140995       4.34691002      -0.83463016      -1.93553420      -1.36988831
Li       0.29543601      10.84809998       7.27667999      -0.01825707      -0.58949427      -0.48236287
Li       5.37164995       0.47810696       7.96022994       0.16186438       0.22539573       1.35764430
Li      11.12780002       7.14876000       5.19661995       0.24412971       0.02519254      -0.65488265
Li       8.42077005       5.87487000       1.30334003      -0.19244246       3.02256879       0.28930089
Li       5.79075997       1.75969004      10.96549998      -0.56497931       0.04431727      -0.40266740
Li       7.36461997       5.47255999       6.62308999       0.34603029       2.56488271      -4.13943314
Li       2.81703001       7.35201005       7.65552005       0.73228844       0.26267966       0.05119155
Li       3.56232998       8.90617998       4.85026999      -0.35638116      -0.06370944       0.23188454
Li       7.28810002       2.76897998       7.22695001      -0.76170352      -2.36353071      -1.22051938
Li       6.13241002       3.61007996       2.79161006      -0.18602947       1.12893840       0.46293400
Li       7.18279001       8.25890000      10.14719998       4.60244538      -5.66343093      -1.20835900
60
Lattice="11.35711806 0.0 0.0 0.0 11.35711806 0.0 0.0 0.0 11.35711806" Properties=species:S:1:pos:R:3:forces:R:3 energy=-426.72832785 stress="-0.01489251400890246 -0.005554036386797837 0.003965903351421566 -0.005554036386797837 -0.021047650347788674 0.003604692351031965 0.003965903351421566 0.003604692351031965 -0.02275613514557159" free_energy=-426.72832785 pbc="T T T" config_type=melt 
Cl       0.19208192       6.11569996       4.10402999      -0.20274988       0.46060703      -1.74979701
Cl       6.76827996       0.86910596       9.26511999      -0.39271308       2.44962890       2.52896059
Cl      11.13399998       3.09378004      10.18939996       0.54411777      -0.51476906       0.56493355
Cl       3.44176997       3.53320000       3.66196995      -0.35953107       0.59764728      -1.40953245
Cl       7.69779999       8.88668003       4.56370003       0.16035741       0.03797414      -0.26659871
Cl       9.96407997       6.29289996      10.48039999      -0.16433688      -0.33723041       0.74269528
Cl      10.45789995      10.71369996      10.66379996       0.30739809      -0.02109122      -1.64081623
Cl      11.34398821       1.87645996       2.73711997      -0.36096115       0.07885053      -0.84000504
Cl       2.08847997       1.18341000       6.20277998      -0.75365888       0.36873818      -1.42104280
Cl       4.79854002       9.54843000       2.57957005      -2.62722589      -0.71297857      -0.34320765
Cl       8.62289995      11.25539996       6.87376998      -0.13429641      -1.15001477       1.74059681
Cl       9.01263002       1.78066005       4.87792003      -0.05372569       1.44182506      -1.79835074
Cl       7.42080999       4.03806001       2.15940995       0.35188851       0.24376518      -0.71668116
Cl      10.12089996       7.04342000       7.46083997      -0.87307260      -1.00527411      -0.61118537
Cl       3.21562000      11.22160004       9.62210999      -0.29891285       0.77714540      -0.13125200
Cl       6.82331996       8.27989000       8.70807005      -2.07928691       1.53559416       0.80442916
Cl       7.48760995       0.35982201       2.07380998       0.23912769      -0.24958272      -1.14103236
Cl       9.02019000       3.33930003       7.54331002       0.23286911       0.69281093       0.88900901
Cl       1.04700999       8.54633003       7.30508005       1.81413986       1.44760575       0.19877013
Cl       6.49340000       4.69895002      10.17190001       1.30095095       1.27522545       0.58465209
Cl       6.63582995       5.80865005       4.57444999      -0.91348458      -2.92513670       3.73949445
Cl       0.84905599       4.43612995       6.17304999       0.92838459      -0.20503447       1.83399776
Cl       4.85306997       2.52561999       6.92693004       1.53761657       0.53265821       1.13145730
Cl      11.32469996       9.26685002       3.43511004      -0.16613980       0.80369828       0.13199683
Cl       3.91390002       6.99133001       5.02328001       0.08941693       0.57777873      -0.30787653
Cl       4.76398996       9.91711999       6.52931995      -0.01422637       0.09186342      -0.21817230
Cl       3.03126001       4.18563997       9.61638997      -0.20549836      -0.21834595      -0.46582522
Cl       2.19532002       5.44733004       1.42827003       0.16262865      -1.38313179       1.53420768
Cl       1.82269002       8.30061004      10.82370001      -0.17886587       1.13782338      -0.63182977
Cl       7.92540005       8.12947996       0.96617297      -1.08816894      -0.07834952       0.79918642
K        2.23837996       1.15696995       1.14476002       0.41380458      -0.10384996      -0.34121222
K        5.33933997       9.52339006      11.27470002       0.16770650       0.36784909      -1.18674651
K        3.43420999       6.66841001       7.66198998      -0.17267267       0.03435438       0.96520773
Li       5.89735005       8.05503996       5.71824001       0.49195943      -0.00959081       0.10779033
Li       5.59119996       3.66962999       3.32604003       0.44035884       0.57284946       0.11555694
Li       5.43841004       3.27512005       9.31828005      -1.21510489      -1.38652604      -0.96995386
Li       8.92432002       0.59173095       9.10815996       0.59955681      -0.27675512      -0.69359145
Li       3.82684998       2.36306000       5.18615005      -0.53345864      -1.24614424       0.79270419
Li       9.70210998       5.18049001       4.62699995      -0.52493107      -0.30237587       0.54427277
Li       0.04638667       7.89184998       5.37023996      -0.29352810       0.46965697       0.17722503
Li       7.48294001       2.27093003       6.55518999      -0.27320980      -0.62226669      -0.22320338
Li       0.53568902       2.81716005       4.97410005      -0.29337792      -1.24406824      -0.67814907
Li      10.15920002       0.64838798       0.81057501       0.04578395       0.86953926       1.64891176
Li       9.68427999       9.03556004       0.25514595       0.21605837      -0.75579952       0.67222959
Li       9.07211997       3.39804995       9.73943004      -0.82351128       0.83482459      -0.21839376
Li       8.46862997       2.16087002       2.21562995       0.58180625       0.76958165       1.22544276
Li       2.50894002       6.21108998       3.74900000      -1.13992841      -0.91824944      -0.71151732
Li       6.74307000      10.70099997       8.12370998      -0.31986078      -2.46168176      -2.25860478
Li       2.82240999       7.03008004       0.55760599       1.26741236       0.61680787      -0.10150514
Li       6.53251005      10.17960002       3.12055001       2.10167845       0.15731597       1.20378602
Li       0.60890200       4.68880005       0.34215397      -0.91387277      -0.27076616      -0.58794929
Li       1.87755001      11.10920001       7.63869006       0.02627225      -2.05780243       0.91041408
Li       2.79922001       2.11712001       8.03481997       0.48529682       0.58344516       0.77646578
Li       7.60913997       6.44457995      10.97000002       0.20207700      -0.26938077      -0.00461886
Li       8.22551995       7.04287997       8.38113996       1.84853369      -1.82856039      -0.59930052
Li       7.24321999       6.82470996       3.21747995       1.66862313       2.82359551      -3.24660478
Li       0.53081898       4.88422005       8.25284995      -0.56748465      -0.16087740       0.31433683
Li       3.82163002       9.17646996       4.50994997      -0.42750051       0.31101013       0.58191722
Li       9.54718004      10.93870003       4.85300001       0.15673489      -0.51039133      -0.41285589
Li       0.03952868       7.78210002       9.77489003      -0.01726271       0.26395540      -1.33323592
60
Lattice="11.35711806 0.0 0.0 0.0 11.35711806 0.0 0.0 0.0 11.35711806" Properties=species:S:1:pos:R:3:forces:R:3 energy=-425.34729347 stress="-0.024780220491655798 -0.002027053682994299 -0.0016714801884094503 -0.002027053682994299 -0.01660363510155147 -0.0006061513427371564 -0.0016714801884094503 -0.0006061513427371564 -0.020463588654557406" free_energy=-425.34729347 pbc="T T T" config_type=melt 
Cl       8.06849996      10.98230000       4.80605003      -0.03799753       0.76246363       0.10537855
Cl       8.47718994       1.22207996       8.83547999       0.39897730      -0.63137121       0.18632045
Cl       8.63025005       7.33618004       6.63199999      -0.24645156       0.26808037       0.14808430
Cl       1.18018003       6.57580997       0.20482301       0.02426847       0.38003637      -0.19460136
Cl       3.46859003       3.72444001       4.41348999       1.10555585      -0.41902566       0.02464794
Cl       4.70849000       0.37148895       2.69171001      -0.31299263      -0.67108902       0.58437227
Cl       7.41618004       5.79630997       3.76505999       0.34410878       0.50282704       0.93574422
Cl       6.78093997       2.79166003       2.13600997       1.38826128       0.94620328       0.35784486
Cl       0.93117397       5.40855002       4.42891000      -0.12859158       1.17663161       2.32251603
Cl       4.70899005      10.64079998       7.57937001       1.13882522       2.54971022      -0.96644674
Cl       4.51419004       4.22520998      10.42930000      -0.67917868      -1.32214513       1.02193618
Cl       9.48844000       4.12012995       6.39794001       0.79511611      -0.10401579       0.05540771
Cl      10.47389997      10.78350001       1.13868998      -0.20577630       1.81737273       6.64334280
Cl       1.09273000       0.66446500       4.37587998       0.07642875       0.53375671      -0.69399437
Cl       1.02527996       3.14425005       0.19172905       0.71088172      -0.27499211       0.05039271
Cl       1.07197998      10.63469996       9.79970999       0.58566835      -0.98221552      -1.00503450
Cl       2.84939996       8.02901001       3.49451004      -1.59903876       1.10823504      -0.30765340
Cl       6.82465999       6.39298002      11.31010005      -2.57369983      -3.43819875      -1.04151149
Cl      10.05099997       3.47411005       2.63489000       4.40897934      -2.42146470      -0.76015294
Cl       6.55525995       3.32903002       7.80255998      -0.80352344       0.54977196      -0.35895367
Cl      10.56159998       8.74665994       3.50714995      -0.64270873      -2.58908440      -0.58145423
Cl       4.17145004       9.31676001      10.94460005       0.10709031      -0.58409820      -0.39621882
Cl       8.77553996       8.16082004       9.95070003       1.66560897       1.07016804      -0.51883644
Cl       0.98527599       7.98118996       6.71348005       1.54199440       0.60915617       1.09694465
Cl       7.45989994       9.05225001       1.89279002      -0.96950958       1.96316490       1.59679235
Cl       3.72303002       1.08485997      11.22869995       0.97708168       0.11121300      -0.59287295
Cl       4.13354998       6.61880995       7.99798998      -0.00947998       0.35208715       1.56214852
Cl      10.72190002      10.83069997       6.66089000      -0.49295326       0.91274707      -1.33863837
Cl       5.74489005       8.59100996       4.99957997       0.27612129      -0.15250492       0.58861473
Cl       1.38898996       2.62969003       7.82884001       0.45427595       1.00810937       0.66570146
K       10.59049998       4.30752001       9.85160997      -0.96563115       0.16896115      -0.63716834
K        4.92467001       6.47802995       2.86218001       0.34316823      -0.57920767      -0.77302997
K        6.26192001       8.37715997       8.31836996       1.06396903      -0.22922153       0.34299440
Li       3.22193001       5.89207001       6.42536995      -1.03773348      -0.69491517      -2.10018429
Li       5.63965000      10.42999994       1.10748005       0.24485463      -0.62403675      -0.08798729
Li       8.46148998       4.25740003       2.88852000      -3.69196022       1.20464844       0.21848083
Li       6.39994000      11.28970005       6.33971002       0.65084352      -0.31553129      -0.39469742
Li       8.97864998       1.98116997       6.63134003      -0.09457004      -0.47106324       0.46199201
Li       0.78175802       1.88269002       1.96529000      -0.39658804      -0.68146614       0.42012198
Li       3.42497995       9.52120994       8.40681999      -1.95085070      -1.86488521       1.54482313
Li       5.47315998       2.01781996       0.84841499      -1.15954205      -0.16392436      -0.66196605
Li       1.34869002       3.10427004       4.90308002       0.02213098      -0.10098555       0.48035159
Li       0.58064004       4.59576004       2.74124998      -0.38731998      -0.43964062      -2.37137258
Li       2.05376002       8.73473997      11.14800001       0.24453835      -0.02819143      -0.29012192
Li       8.37551001       8.25740995       4.55075996      -0.76484683       0.20047282      -0.33314666
Li       1.93150995       1.21275997      10.20810003      -0.59204853       1.06808017      -0.26595350
Li       7.53464000       5.12907997       6.08738995      -0.00830395       0.21134426      -0.02711935
Li       0.73635499       7.95315003       1.94156997       0.08868361      -0.18516730       0.87453336
Li       5.55941003       2.08222004       3.72543001      -0.51343585       0.38877517       0.54565899
Li       7.92807999       7.69014995       0.63167496       2.58725897       0.99578477      -0.40341954
Li       0.97524402       0.75196001       7.09784002       0.18311397      -0.47543559      -0.55251627
Li       6.35972002       4.67794003       9.88669995       1.46053447       0.56867512      -0.65961084
Li      10.21150001      10.69089997       3.29522999      -0.81954539       2.01468949       0.35803790
Li      10.62510001       9.55966003       8.12970994      -0.37608335      -1.65600676       1.52045120
Li       4.30537000       9.74981998       3.88678002      -0.18286623       0.09372809      -0.12169748
Li       5.16093998       1.83911003       9.01273996       0.00630017       0.18959233       0.04568185
Li       2.69967998       4.82402005       9.76512995      -0.77923237       0.43290114      -0.17964199
Li      10.72099997       6.83968000       6.52433997      -1.02724009      -1.54858752      -0.59822201
Li      10.63950004      10.49349997      10.84929997      -0.75090993      -1.28169929      -6.64324130
Li       0.48025005       9.21017005       4.96818004       1.30597035       0.77078319       1.09814910
60
Lattice="11.35711806 0.0 0.0 0.0 11.35711806 0.0 0.0 0.0 11.35711806" Properties=species:S:1:pos:R:3:forces:R:3 energy=-424.56904367 stress="-0.01943450009553404 -0.0059014973301001 -0.005291184167802332 -0.0059014973301001 -0.016606469882649282 0.0017020016299066948 -0.005291184167802332 0.0017020016299066948 -0.01796141960031277" free_energy=-424.56904367 pbc="T T T" config_type=melt 
Cl      10.42679996       5.84163998       1.21548000      -0.96442734      -0.28395550      -4.50387875
Cl       3.49681997       9.02135001       9.87887001       0.12368598      -0.40587434      -0.02001172
Cl       3.39712003       2.13515001       6.05246000       1.00117077       2.43423715      -1.53895187
Cl       6.94420001       2.62575002       5.48687995      -0.13517911       2.25319331      -1.86264526
Cl      10.44859995       9.63378999       9.60995003       0.70932554       0.11237436      -0.53382373
Cl       1.09451999       3.54301005      10.29569998       1.27309102       0.73226542       0.00818212
Cl       9.21891004       4.98599005       7.49069000       0.07988568      -0.65135636       2.12849555
Cl       9.54150000       2.02609998       9.29706995       0.31086232      -0.47963281      -0.49423850
Cl       6.75255001      10.78010003       7.19456995      -0.24629160      -2.10397905       0.05724974
Cl       9.83496998       9.01961998       1.96779004      -1.59662308      -1.47689884      -0.99150906
Cl       2.05590004       8.60339001       3.48394997      -1.27469822      -1.93710048      -1.42911755
Cl       6.91182996      10.61320002       0.39048100      -0.65286502       0.66531468       0.71348406
Cl       7.98005004       5.13903005      10.34519998      -0.54544577      -0.96272837       0.71305779
Cl       4.99440999       2.96050006       1.83489995      -0.05803815       0.32956279       0.50977994
Cl       9.72786997       0.35723395       5.47413999      -0.71465709      -1.19317500      -0.71798749
Cl       9.79811999       7.18038003       4.71436004       1.42467164       3.41619794      -2.48476831
Cl      10.89890003       0.55432401       1.28530004       0.32632503       0.65022617       0.07129064
Cl       1.16168996       4.67047999       3.58172998       2.57828786      -0.29503610      -0.67904788
Cl       6.27403999       1.69166000       9.24098998       0.45684652       0.31846981      -0.37761960
Cl       7.60231003       8.20147001       9.64559003      -0.94832393       0.60764530      -0.21724292
Cl       6.16575997       6.73936996       6.89163995       2.10970890       1.93815768       1.71981432
Cl       5.34806996       6.71831000       1.33463003      -1.68966396       2.95767497       1.40246140
Cl       1.27667999       0.76349805       7.41471996      -0.97846600      -0.91302977       1.23443745
Cl       3.17517003       0.87061600      10.94330000      -0.48702752      -1.23333134       0.13308385
Cl       0.62197405       6.73127995       7.54275001       0.63712098       0.26960734      -0.00983237
Cl       4.19118996       5.76382998       4.29276996      -0.93970035       0.33923734      -1.71599539
Cl       8.22550996       2.61293999       1.92990996       0.97414301      -0.23077072      -0.75772492
Cl      10.26080001       3.85640995       4.89119002      -1.08300635      -1.24230696       0.43801960
Cl       2.62482998       0.68526704       3.15140004       0.69823675      -0.60591905       0.21019322
Cl       3.34522004       8.98887002       6.66882999      -0.03442443       0.32154288      -0.47751618
K        4.40453002       3.16630001      10.42710002      -0.73307091       1.67747014      -0.32819873
K        7.04753003       8.27635998       3.50623002       0.18853423       0.23967402       0.10353985
K        3.07761000       5.91878002       0.90209100      -3.03263421      -0.90421706      -0.13625184
Li       9.29111996       2.11562996       3.70344002       0.58317540      -0.40384162       0.72023256
Li       2.82762995       9.73553000       0.47181500      -0.27636412       0.70647132       0.14996728
Li       9.08012003       5.88844005       5.75094998      -1.58537810      -2.41008793       0.93434076
Li       6.93233001       3.43009997       3.19844996      -1.51460210       0.27389111       0.99112837
Li       7.23258995       3.74532995       7.85413004       0.60442475       0.47755853       0.35428735
Li       7.78955994       2.49997005      11.17739996       0.33557680       0.03991939      -0.98458408
Li       6.95426004       6.04712999       1.02917000       5.01420435      -2.06357347      -1.92480750
Li       1.00956001       1.92529000       2.50527996      -0.53269515       0.11993548      -0.46959425
Li       5.45500995       8.68644995       7.99558999      -0.11166967      -0.44354843      -0.20457514
Li      10.52550002       4.38324996      10.35079994      -1.19225364       0.21604689       0.36635068
Li       6.98804996       1.41219006       6.94691005       0.08412785      -0.96620383       1.70477964
Li       3.36478995       3.66333996       4.04838000      -0.30752470      -0.60139052       0.03021451
Li       1.16685995       9.18330002       8.29940005       0.33594558      -0.19152449       0.04876289
Li       9.10796996       9.89539995       0.30833497      -0.18695195       0.80931091      -1.18368083
Li      10.86210001       5.87416994       2.97204002       0.52790331       0.29332348       3.82563742
Li       2.45116000       6.95709000       5.50144000      -0.28702882       0.40607512      -0.14233155
Li      10.76760004       1.62836996       6.63794999       0.51673558       1.37030385       0.41873058
Li       6.44974005      10.37249999       9.57084998       0.38518265       0.09734364       0.18679661
Li       2.90553001      10.02349995       4.47188000       0.82298786       2.01083261       1.25258248
Li       5.00857004       0.73962595       0.92981100       0.09412719      -0.05177704       0.29331686
Li       0.72081005       1.49599003       9.78352996      -0.28032792      -0.71825198       0.08965401
Li       9.54692995      10.97690003       7.80092001      -0.26139263      -0.16854258       0.32161099
Li       9.63219000       7.33462003       9.40706000      -0.11949033      -0.11515136      -0.17983616
Li      10.85530005       9.43598000       3.49465996       1.68187701       0.53993286       2.17119558
Li       0.24437395       4.57286000       6.82898001      -0.45046014       0.27334936      -0.15223533
Li       3.57178001       0.71435001       7.39328000       0.06034382      -1.29919487       1.09098773
Li       5.14716004       5.57356997       5.92618997      -0.71782607      -2.54474600       0.12434111
60
Lattice="11.35711806 0.0 0.0 0.0 11.35711806 0.0 0.0 0.0 11.35711806" Properties=species:S:1:pos:R:3:forces:R:3 energy=-428.34199824 stress="-0.010356854740343494 0.0031141073307565273 0.0033923150790242766 0.0031141073307565273 -0.01912292128860404 -0.0007466496355455994 0.0033923150790242766 -0.0007466496355455994 -0.022942673187707523" free_energy=-428.34199824 pbc="T T T" config_type=melt 
Cl      10.62760005       4.96693996       1.97883995      -0.14198027       0.53841577       0.34578434
Cl       2.27124996       6.78135995       2.36989005       0.72085997      -0.33683137      -0.39352336
Cl       6.15245000       9.76867996       9.11048000       0.40556480       0.16716414      -0.09796082
Cl       0.26340496       1.18630004       4.47948995      -0.22599615       1.10210933      -0.22614942
Cl       0.17175699       9.77183996       3.30313000      -0.15966826      -0.66083355      -0.10296317
Cl       1.83042002       3.26896994       1.00822997       0.67444799       0.16796841       0.36957570
Cl       9.15860999       7.99069995       1.56670001      -0.53042217      -0.00480939       0.10138558
Cl       8.50151996       1.43380004       7.91697999      -0.18615342      -0.05905497      -0.24705500
Cl       6.12585004       9.68830995       1.02982996      -0.32950423      -0.21559277       0.42019514
Cl       8.09797997       3.47987004       4.30511003      -0.11231353       0.50845768       0.25262715
Cl       8.00842001       6.67141998       8.62027998      -1.20135868      -1.02835427       3.80859359
Cl       6.28355998       5.20496005      11.16442309       0.06411388       0.24788077       0.51416439
Cl       2.95285001       6.65857997       6.84048000       0.12020081      -0.52976317       2.26558847
Cl      10.98050001       3.37536002      10.09250001       1.79607605       0.37831091       0.29234980
Cl       5.64804995       3.63164997       7.52415000       1.27677032      -0.07057392      -0.80100358
Cl      10.59380002       4.53906996       6.86372995      -0.99838175      -1.08947553       0.39517273
Cl       7.18626994       6.75848002       5.21161998      -0.29580045       0.02078455      -0.51504032
Cl      10.67910004      10.76940003      10.35349999      -1.84394441       1.51819536       1.61997914
Cl       0.10558190       6.99355998       5.44506997      -1.48060282       1.44195667      -2.74108395
Cl       9.23760998       2.05100001       1.44126996      -2.15569189      -1.43023213       1.03196710
Cl       5.18049001       2.35461995       2.22846997       0.83005701      -0.33221595      -0.05341553
Cl       0.94818603       7.85999997      10.97310005      -0.16724172      -1.25961746      -1.38879165
Cl       9.40994006       9.14754997       7.13065005       0.36574875       0.17490580      -0.17958022
Cl       6.42759004       1.32186996      10.80720004      -0.44792074      -0.23100348      -0.87947898
Cl       2.15455001      11.01140000       1.14218003       0.93093152      -0.17378759      -2.16796577
Cl       3.21089998       0.75634999       9.34547001       0.85519811      -0.50784812      -1.42858579
Cl       8.17965003      11.14480003       3.59915998      -1.57229495      -1.34553404       0.67726985
Cl       2.51978005       4.19088003       4.66271002       1.81335950      -0.09897778       0.50194193
Cl       4.92232000      10.80150002       4.82794996       0.09809485       0.17685622      -0.52842457
Cl       1.18758999      10.23789997       6.93314000       1.34289049       0.32406422       1.30673038
K        0.40072399       1.59402001       7.36468005       0.03359756       0.45268237      -0.00781244
K        3.78567997       7.63166000       4.66168004       0.89805127       0.83840709      -1.73708411
K        4.10132995       9.72259004       7.21984999      -0.60147263      -0.13768512       0.28762072
Li       8.96792999       1.53665998       4.03403005       1.74784317       1.29605085      -0.25377422
Li       1.16788005       5.56156004       0.52044698       0.11578096       0.09928913       0.45843171
Li       0.03618196       9.18787001       5.68893001      -1.46195918       0.01550526      -0.84766885
Li       4.60103996      10.72849999      10.79409995       0.26749445       0.11784206       0.21101765
Li       5.88636999       0.52138189       2.39897995       0.81612891      -2.17846249       0.52372014
Li       4.93749004       5.24903998       6.69595000      -0.90410772       1.81120745      -0.91148269
Li       9.71844004       6.65516000      11.24829995       0.03365982      -0.11237975      -0.08139880
Li       6.45345997       7.63761999       9.92403000       0.12097401      -0.44581916       0.27461290
Li       0.79734203       4.09643003       3.65224996      -1.09829623      -0.45202306      -0.86295828
Li       9.50349000       3.36297997       8.87071999      -1.91608643       0.41803368      -1.95287660
Li       8.15227994       0.05038199      10.07250001       0.20503829      -0.16310154      -0.14828893
Li       0.61675397       6.09472995       6.99195000       1.76832966      -1.29343552       2.65497460
Li       0.83609002       7.68585003       3.63601996      -0.21810515       0.24160900      -1.13155616
Li       1.91815001       0.31358502       2.99352996      -0.54885495       0.59425617       1.97778472
Li       8.74920996       6.95408003       6.96492005       1.22440001       0.62953107      -3.18990203
Li      10.87049996       2.57308002       0.65084600       2.33525604       0.70321376      -0.08007171
Li       2.29056002       1.76097999      10.82847908      -0.65445182       0.27995689       1.29463562
Li       6.50104004       7.75721998       2.29378998       0.67590721       0.14113948      -0.21453011
Li       9.54445001       5.80035004       4.26999996      -0.44406341      -0.35511586      -0.14716104
Li       9.19397003      10.17889997       2.04923000       0.45578452      -0.14180586      -0.27745065
Li       5.23658997       2.14831995       8.66966004      -0.51269698      -2.02557301       2.06974853
Li       6.91122996       2.45553999       5.81343003      -0.18023293       0.21668697       0.30947263
Li       4.11609000       3.92676003       2.36050998      -1.97104483       2.01165132       0.27371003
Li       7.39309999       2.85379005       0.61000103      -0.50499405       1.00545214       0.33992592
Li       0.45911297       9.78983997       9.14281996       1.21110150      -1.50604438      -1.49268388
Li       0.45505303       9.45350005       0.83500099      -0.14199924       0.77772958       0.70866027
Li       8.02815005      10.79240002       6.93942003      -0.19602046      -0.23136290      -0.19991812
60
Lattice="11.35711806 0.0 0.0 0.0 11.35711806 0.0 0.0 0.0 11.35711806" Properties=species:S:1:pos:R:3:forces:R:3 energy=-426.98834851 stress="-0.008369979648875427 0.004195966782141177 0.005766235388821872 0.004195966782141177 -0.021147116116999827 -0.0009572753840548365 0.005766235388821872 -0.0009572753840548365 -0.009932232865846099" free_energy=-426.98834851 pbc="T T T" config_type=melt 
Cl       4.01688001       3.29978998       6.90164001      -0.08119716      -2.24668967       1.47794397
Cl       9.37165998       1.13476996       4.42982005       1.70021875      -1.86214381       0.61856197
Cl      10.35059995       2.66381999       0.46630998      -0.25919857      -0.13848310       0.12758219
Cl       0.37995704       0.94044694       7.66076000       0.35364157       0.11492887      -0.23050073
Cl       4.18792002       9.40225004       3.69668003      -0.63151922       0.00448338      -0.67760329
Cl      10.26250005       3.93839006       7.95332004       0.15724265      -0.10802050      -0.62908992
Cl       2.57333999       1.78353000       1.08707995       0.71433509      -1.52049245      -0.55619976
Cl       5.13771001       5.46418003       2.37029005      -0.93721367       1.38212967      -0.05436109
Cl       7.11359995       6.44846999       6.85011004       0.10990498      -0.40222740      -0.45301732
Cl       1.39317994       4.76309002       1.59662999       0.33217634      -0.26639082      -2.04668176
Cl      10.21609998       5.93830995      10.45369998      -1.27225875       1.09830959      -0.25878200
Cl       2.64880997       4.18353004       9.68743999      -0.09308604       0.09495092       0.20209277
Cl       0.63873295       3.99569001       4.51111998      -0.80149233      -1.02843942       0.19012706
Cl       6.87901004       2.13279999       2.26622001       0.68233182      -3.20564656      -0.54863267
Cl       3.02314001       5.72483997       5.81152999       0.13501541       1.92894406      -0.58717445
Cl      10.52770001       7.14072995       2.72857998      -0.10054919      -0.19257534       0.07811351
Cl       7.59137005       9.47964005       4.93202000       1.05285659      -0.21170249       0.75511776
Cl       6.94905995       2.65192000       5.69232999       0.36313009       1.37504785       0.77951835
Cl       8.16078995      10.10470005       1.10559000      -0.43553334      -0.25943239       0.27072130
Cl       8.46482000       8.92060999       9.11920998       1.06491283       0.50232911       3.29598487
Cl      10.95490005       7.13794995       6.17062003      -1.26441411      -1.63946980      -0.64780182
Cl       3.92146000       8.55959004       0.54791303      -0.11065774       2.09733136       0.06139573
Cl       3.23931004      10.63810005       6.30627001      -0.78343966      -0.42986468       1.01503346
Cl       8.65223005       4.59595004       4.04108998       0.37577781       5.33831651      -0.67032067
Cl       1.80670999       9.60308999       9.19985995      -0.42489351      -0.49988047       0.06184482
Cl       8.14168001       0.93289696       8.66069996      -0.18751425       0.10460547       0.37512442
Cl       6.38724002       4.50202997      10.62829999      -0.01250484      -0.17243033      -0.86894479
Cl       4.37592996       0.39584202       9.99576996       0.58921869       0.21402703      -0.36079502
Cl       4.61925996       7.25177996       8.95941000      -0.03955555       1.35503369       0.24913222
Cl      11.28640001      10.30710003       2.06017997       0.90580239       0.47941057       0.12586674
K        0.18010095       0.28818006      10.57340003       0.63848597      -0.35488825      -0.35326862
K        0.46233204       9.51614001       5.89647998       0.70332272       2.19719929      -0.10021334
K        5.51175999       0.48508500       5.70933001       0.31568883      -0.64868493      -0.52515656
Li      10.32879996       4.23144004       2.16964998       0.34681456       0.36847900      -0.04354540
Li       3.95727001       8.05254003       5.44963996      -0.20716477      -0.42280029       0.53677726
Li       1.42003998       1.69567996       2.69570998      -1.41160504       0.08391069       1.34286630
Li       4.84383005       5.28762999       8.65079996      -0.06428884      -1.57131730      -0.10779158
Li       6.23627995       9.17640000       3.42940003       0.14594433      -0.23120915      -1.20704387
Li       9.25641998      10.42970000       3.30957005      -0.04777823       0.15705526      -0.42198624
Li       8.51370001       2.83735005       3.91904002      -1.77670309      -4.22768507      -0.61175414
Li       4.06721998       9.38702003       9.10975995      -0.37815822       0.32431168       0.13198513
Li       0.59765698       4.96368001      10.60110004       1.66071100      -1.31806559       0.58090182
Li       1.08281001       5.74985005       3.26786001      -0.28514449       1.04460636       1.61797818
Li       8.50835001       4.47652995       9.19282001      -0.22226844       0.24613387       0.38145523
Li       4.93222000       6.98363999      11.30352564       0.99015421      -1.98953394      -0.59501537
Li       9.94793003       4.68027006       5.82067996       0.56446884       0.13686830       0.46698774
Li       2.74988003       0.93144904       8.42166999      -0.34417227      -0.32526016      -0.52697265
Li       8.73152000       6.85935996       4.29219994       0.22005572       0.33670890       0.20535307
Li       6.38166004       3.91143995       2.44832004       0.03686962       2.03997797       0.17342446
Li       8.02007003       8.56342999       7.36479998      -1.01852104      -1.04423085      -3.29381922
Li       8.91790995       7.67038005      10.99659998      -0.03480382       0.63845638       0.08942869
Li       1.80134000       3.70688997       6.36719005       0.15745867       0.18893964       0.37439267
Li       5.36257005       4.35127002       5.75469999       0.70437205       0.83220992      -0.71339164
Li       3.77729002       3.21745996       0.21818194       0.55106323       1.19179143      -0.61822494
Li       9.58048002       1.47093997       7.03497996       0.14353067       0.30912094      -0.23306296
Li       2.22826997       8.34511995       1.69282001      -1.12853021       0.15982333       0.60985824
Li       0.13967097       6.84545998       8.13114003       0.08816679      -0.22655759       1.22765376
Li       9.28350001       0.64689804       0.32200996      -1.15519576       0.09185123       0.55546473
Li       4.30951001      11.09459998       0.91424903      -0.11849042       0.02602857      -0.19933488
Li       6.21541000       2.05045998       8.62764995      -0.17581964       0.08080150       0.16179831
60
Lattice="11.35711806 0.0 0.0 0.0 11.35711806 0.0 0.0 0.0 11.35711806" Properties=species:S:1:pos:R:3:forces:R:3 energy=-426.13687199 stress="-0.01412822966964617 -0.0013793357494484794 -0.0029516604839974958 -0.0013793357494484794 -0.01999087409227536 -0.0038553392053091683 -0.0029516604839974958 -0.0038553392053091683 -0.021269027726159666" free_energy=-426.13687199 pbc="T T T" config_type=melt 
Cl       0.81808195       7.86139996       6.80907995       2.47666586       3.69508982      -2.88184639
Cl       2.79716005       1.26228995       3.37975999      -1.19734883      -0.79158104      -0.60796464
Cl       7.84719005      11.08829996       5.05584995      -1.14726434      -0.64971113       0.25477696
Cl       4.22445996       9.52656005       4.55056995      -1.83684838      -1.20464408       0.03660277
Cl      10.38499997       2.45446004       2.60447996       0.47639769      -0.63631071       0.31203772
Cl       3.18629001      10.73209996       0.87900403       0.12795507      -0.65196154       0.24826966
Cl       5.03007997       6.71736997       1.23826999       1.03020797       0.58184092       1.42885996
Cl       9.31077004       8.13340998       8.44093995      -2.96340438      -5.39537627      -3.05621533
Cl       1.78180996       5.06052999       1.21662003       2.89487539      -2.27645310       2.62009263
Cl       8.78043999       3.29330995      11.35290003      -0.04452725      -0.31949413      -0.51850523
Cl      10.03669999       4.73357003       6.33834001       1.80255649      -0.42056604       1.16214254
Cl       3.58838003       1.51339004       9.02747002      -0.35722483      -0.65809391      -0.01979280
Cl       2.01494002       3.39051995       6.65381997      -1.03283611       2.93030201       3.10160451
Cl       5.06031000       1.38341998       5.65524003      -0.37861208      -0.06145062       1.53905635
Cl      11.29250003       1.08979997      10.02970003       0.45010373       0.15218858      -0.90216088
Cl       3.99167004       3.89078999       3.75122997       0.29021101       1.00390821       0.36565297
Cl       4.04260002       6.88126000       8.65322005      -0.18639876      -0.23285059      -0.01725212
Cl      10.86310001      10.56199998       1.83826994      -0.54947610      -1.47236510       0.44797181
Cl       7.86904001       1.86390001       8.11563995      -0.53361385      -0.30564186      -0.57916548
Cl       0.79763198       5.64336003       9.91499995      -0.27391502      -0.12368978      -3.24857196
Cl      10.80960003       0.05824135       6.25489995       0.72104396       0.36721213       0.04249580
Cl       4.63042003       4.06786995      10.74019997       0.07074839      -0.08143400       0.21491024
Cl       7.61539002       3.94908006       4.19642003       0.49230108      -0.78018932      -1.46170749
Cl       6.54276996       5.11146996       6.75156001      -0.19041193       0.46205696       0.17291277
Cl       7.49499003       8.01429005       3.80250997       1.56127225      -1.91632576       1.01846909
Cl       7.43885997      10.89659998      10.43149999       0.50756453      -0.59478316       0.85573235
Cl      11.35439996       7.75929004       3.75375000      -0.35508049       0.56278095      -0.77932173
Cl       9.30253999       5.99304001       1.30717998      -0.01675355       2.17888793      -2.10933931
Cl       6.78100005       1.25664001       2.14393996      -0.52127806       0.46649525       0.05319077
Cl       6.57078002       9.13089998       7.40741995      -2.27126267       0.31162006       0.68783144
K        1.50545005       5.56067998       4.24515002       0.08904342      -0.62127954       0.43478243
K        6.03321003       9.67732000       2.55371001      -0.48507451       1.28443866      -1.82055926
K        7.04721998       7.15059996      10.58419996       0.07068663       0.33000603      -0.73584959
Li       3.58480004       6.37282999      11.20820001      -0.63974253      -0.68830152      -1.01693548
Li       2.48916001       2.16446000       5.37476998       1.39275356      -2.58174651      -2.54816777
Li       0.67653205       1.98810997       7.88330000      -0.39000372      -0.88011612      -0.33528984
Li       4.67745996       4.57083003       7.58791000      -0.40868320       0.02285569       0.60295033
Li       6.06233002       0.45913205       8.99413995       0.06553146       0.37047897      -0.12936805
Li       5.77833994       5.05307995       3.93836995       0.23461989       0.75205312       0.15919356
Li       2.54783997      11.11670002      10.27449999      -0.05328795       0.65103050      -0.54113262
Li       3.35154005       3.16303995       1.80311001      -0.35866526       0.02937375      -0.71180895
Li       4.96009002       1.71575004       3.60510997       0.51105250       0.01118087      -0.81476831
Li       0.21643805       6.60008002       7.89844995      -2.23973847      -3.54122783       2.70899739
Li      11.17719996       0.89446402       0.79521201       0.63974437       1.31739133       0.34099146
Li       7.10243000       2.18963998       5.96378998       0.33521238       0.17438564       0.16738774
Li       0.51604405       6.08584005       0.39989196      -3.17971647       2.20939298       0.64545980
Li       7.99815000       8.92095002       5.95245001       0.54437782       0.12039251      -0.77105368
Li       9.38980002       4.37065003       2.28502001      -0.14932959      -2.60326574       1.51324799
Li      10.14349994       9.34457995       9.28613997       3.04758861       5.46309341       3.20423995
Li       2.00950996       3.84465999       9.52175997       0.89567121      -0.36325709       0.18057304
Li       8.44278003       5.53082995       5.44745996      -1.10761931       0.80926786      -0.23553266
Li       9.24545003       0.97551897       4.35161005       1.53621184       0.89324451      -0.67577924
Li       5.14819002      10.47970005       6.07308998       1.30377896       0.99393628       0.74046374
Li      11.11539997       9.35860997       5.30174995       0.11928476       0.10237097       0.37191986
Li       9.02240997       3.28490001       9.12776996       0.19622155       0.33846529      -0.02166612
Li       4.18946005       8.08394996       6.64663001       0.27368996      -0.15326419       0.27603915
Li       6.79977995       3.89775997       0.64766998      -0.88153453      -0.35540058       0.00242817
Li       2.25138000      10.28459998       3.04443995       0.08341772       0.27713171      -0.33789481
Li       9.71250004       7.77697001       2.19179999      -0.01394951       1.51492909       1.19909284
Li       8.58641998       0.92092497       0.82189998      -0.47718836      -0.01702075      -0.23272806
60
Lattice="11.35711806 0.0 0.0 0.0 11.35711806 0.0 0.0 0.0 11.35711806" Properties=species:S:1:pos:R:3:forces:R:3 energy=-425.70695181 stress="-0.022423480160421526 0.002649904976069415 -0.0006977692443432264 0.002649904976069415 -0.014420220998146773 0.0030328749445699067 -0.0006977692443432264 0.0030328749445699067 -0.018318440563279" free_energy=-425.70695181 pbc="T T T" config_type=melt 
Cl       9.97080997       5.57377996       2.23205995      -1.06594913      -0.23404239       1.64743157
Cl      10.53300003       3.11001004       0.39156299      -0.04071266      -0.71564829       0.07622959
Cl      10.24419999       2.99643000       8.36992003       4.42479737      -2.35335050      -4.07915643
Cl       4.14440000       8.61074999       0.73500099       0.32089702      -0.92999944       0.64065046
Cl      10.64650000       5.96370004       9.62105003      -0.00978736       0.55342293      -0.76480606
Cl       5.02020995       2.52540000       8.34857001       3.49991605       0.54269173       0.10852076
Cl       7.03262994       8.11969001       8.07880995      -1.46235480      -1.29567041      -0.47085641
Cl       3.27458002       8.87371997       8.43854996       0.65951174      -0.97882846       1.39815511
Cl       3.92257004       3.18340996       4.97343998       0.61668466      -3.48278244      -0.72308874
Cl       1.28290006       0.13202797       7.57864997       0.21603351       0.41055647      -0.41184167
Cl       7.45755004       0.04701552       2.05399000       0.21656494       0.72671235       0.46509949
Cl       9.51238001      10.11250001       7.01479995      -0.88495317      -0.75729774      -0.17961822
Cl      10.73189997       2.83914005       4.19484003      -0.29797236      -0.19695761       0.13393749
Cl       2.62606995       8.75409999       4.41235996       0.31949313       0.75911673       0.18624570
Cl       5.61549999       6.46878004       4.61734004      -2.99349178      -0.10148061       0.91480487
Cl       8.76729003       8.58125999      10.98709997       0.15893671       0.20602344      -0.19767773
Cl       8.00994005       0.55184805      10.43220004      -1.39709666       0.19225398      -1.96008437
Cl       2.08876004       4.96424003       7.01128004      -0.42604972      -0.24051956      -0.13227479
Cl       8.09170005       9.28813996       4.33490998       0.33049480      -0.83598409      -0.55896224
Cl       6.90777001       4.18538000      10.31840002       1.53026062      -0.89751639      -0.20283034
Cl       4.86570999      11.22320003       5.56847006       0.48797244      -0.07129070       1.04465160
Cl       7.05321994       6.95827001       1.81538001      -0.90833202      -0.40571386      -0.76419679
Cl       9.53909002       6.11028000       6.20606003       0.07989103      -0.40378479      -0.77684624
Cl       3.73106995       5.17373002       0.77528696       0.23406571       0.07623292       0.10904625
Cl       2.80681996       2.09807004      10.35449998       0.34670255       1.17473580       0.20017526
Cl       0.24388502      11.24740001      10.63449996       0.22673087      -1.27212982       0.33355384
Cl       1.86022995       5.64561998       3.84511995       0.09950987      -0.23137642      -0.87665421
Cl       7.05992996       2.99885997       4.83817000       2.00803077       0.72528116      -0.96849730
Cl       4.02264000       1.24890002       2.24886997      -0.50844401       0.71969654      -0.71179425
Cl       0.75002305       7.71822997       1.65580001      -4.01185532       1.42438240      -1.24426689
K       11.15009994       8.77705000       4.95377002      -0.38746359       0.06581221       0.03154440
K        3.68564000      10.97679998      11.06130000      -0.02953097       0.46006644      -0.49527654
K        2.37165995       5.58936000       9.63727004      -0.13202964       0.11304009       0.37858322
Li      11.09877701       5.69275997       4.07721004      -0.13318064      -0.54325840       0.57824506
Li       8.87145003       7.21146003       8.06762001       1.60284257      -0.46378964       0.34945576
Li       2.48481000       9.58244003       6.72116995      -0.17747195       0.96320388      -1.34319847
Li       9.79723005       0.72861103      11.34923872       0.23471039       0.42609344       1.29548014
Li      10.77129997       4.00666996       6.69071005       0.74687548       0.86160085      -1.18418130
Li      10.35380004       0.03498197       8.26789995       1.07634838       1.10021562       0.95994497
Li       3.47866005       4.95415002       5.13109994      -0.86578237       3.50963238       0.94854865
Li       5.03470004       7.82083994       7.52758996      -0.83395267       0.11683739      -0.64586439
Li      10.58810000       5.86345995       0.34396702       0.50456378       0.12770045      -0.80797191
Li       8.64283998       3.70566999       2.43495998       0.18380034      -0.36047867       0.14386866
Li       9.05785997       3.21166999       9.57920995      -4.81489230       0.96878893       5.25383316
Li       5.73812995       2.46545997      10.64969998      -0.56483003      -0.66242264      -0.23067610
Li       8.68947004       0.87177397       4.57484999      -0.51200735      -0.21123008      -0.31312457
Li       7.67501001       9.76940000       8.98769001       1.14769095       1.73242048       0.93963831
Li       0.84112804       1.83422000       9.88371995      -0.88020999       0.43061203      -0.47997971
Li       1.05133001       2.54212995       2.65621004       0.07122157       0.23985915      -0.06408882
Li       5.86888002       8.03227995       3.40107004       0.40300421       1.56533375      -0.75148976
Li       4.09965000       3.89869999       2.51218997       0.05925294      -0.57984415       0.54872574
Li       6.36943001       6.03705998      10.65089998      -0.50340918       2.05938721       1.12156059
Li       3.27860998       2.04384003       7.84157997      -3.11531267      -0.81718126      -0.87334780
Li       8.99183003       7.62117000       2.33539996       0.05135570       0.80605958       0.12142477
Li       2.50001003       7.28088996       1.97643996       4.13250041      -1.11913688       1.01118626
Li       7.02857999       9.59649003       0.86583795       0.18252922      -0.27375994       0.12036638
Li       5.71991995       2.02984999       6.05660001      -1.16623712      -0.63063742       0.56219233
Li       0.74685805       8.99928995      11.23039999      -0.33952793       0.20594473      -0.32592984
Li       7.15605002       5.55907000       5.22846997       2.55487543      -1.65022259       0.91003079
Li       3.76609996      11.15783903       3.79584005      -0.26522779      -0.54737988       0.00545072
60
Lattice="11.35711806 0.0 0.0 0.0 11.35711806 0.0 0.0 0.0 11.35711806" Properties=species:S:1:pos:R:3:forces:R:3 energy=-422.2079969 stress="-0.026116281573942187 0.00020125815457161864 0.0036502635377863584 0.00020125815457161864 -0.036092196178175565 0.0033810601650741553 0.0036502635377863584 0.0033810601650741553 -0.01759261753296956" free_energy=-422.2079969 pbc="T T T" config_type=melt 
Cl       8.29489003       4.05585003      11.31090004       0.30900815      -0.48847669      -0.11654499
Cl       9.54729997       9.74914003       1.65231996      -0.09316421       0.09879304       0.07815656
Cl       6.30574997       0.76854697       1.86388002       1.02341391      -0.32953114      -1.01814739
Cl       2.25835997       7.00640999       6.42163005       1.74775062      -2.65240688      -0.08399438
Cl       1.13927999       4.79789005       9.52148002      -1.95762349      -2.82368304       1.68952416
Cl       4.27850996       4.18499999      10.71300002      -0.09024933       0.38210185       0.38443160
Cl       6.71677997       4.16501998       3.12607003      -0.13753386      -1.55530552       0.10507110
Cl       9.80149998       6.28416997       5.98892999      -0.47999536       3.07383614       0.43199587
Cl       4.15185004       9.22340995       2.34031998      -0.79783782      -0.14612163       0.50485872
Cl       3.91199997       5.79164004       3.40387002      -0.06778942       0.50566521       0.10689620
Cl       4.40771001       2.05694001       8.19407005       0.15566054       0.34042211      -0.49839391
Cl       7.77796001       7.46249005       2.92437000       0.00644227      -0.30953324       0.65122908
Cl       2.88504995      10.39940001       6.38839004       0.31323508       3.97562223      -2.29825598
Cl       0.62655698      11.19779995       3.08458997       3.78453800      -2.17459510      -0.15723250
Cl       9.45359000       2.69154998       3.86883997       0.01112997      -0.31951905       0.56643325
Cl       5.46894002       4.77096005       6.27405998       1.76153733      -0.17783108       1.26058088
Cl       7.41199005      10.95120001      10.25709997       0.39177050       0.45394155      -0.95919111
Cl       6.26764002       7.66181996       8.55532998       0.00137960      -0.27416259      -0.23588124
Cl       9.97904002       2.20089000       7.91636001       1.70423101       2.32597434      -0.60827631
Cl       1.71259003       3.17639001       2.30956002      -0.70665436      -1.28728186       0.26510939
Cl       6.69408005       9.70575005       5.58180002      -2.21367995       0.07937259       0.49460105
Cl       4.65246999       1.57154996       4.20638000      -0.04583385      -1.49078213       2.98225502
Cl       3.45341999       1.14866006       0.66748895      -0.66129667       0.14271207       2.60759014
Cl       0.01430111       1.29384003      10.85619999       5.27497380      -3.19534790       0.12414119
Cl       9.50066003      10.30379999       5.86655999       1.03317849      -0.09639632      -0.15977202
Cl       3.14168005       7.64661006      10.32190005       0.44328658      -1.02265584       0.72381811
Cl       0.79500496       4.49828996       4.84607001       0.33785695      -0.83347735       0.61294550
Cl       0.17315800       6.27724996       2.12817004       0.03795646       0.96134448      -0.38421115
Cl       3.61375002      10.51269998       9.09086001      -2.44216042       0.26805208       2.75791524
Cl       0.18919301       8.16383002       9.25184999      -1.45312626      -0.14297531      -1.24263759
K        6.36010003       8.49390001       0.70813505       0.07113219       0.59822854      -1.27973170
K       10.07649999       6.25770005      10.67959998      -0.10403723       0.15921241       0.14702243
K        0.66425103       1.47696004       5.87558004       0.12814856      -0.14549893       0.07053524
Li       6.78478003       1.07625002       3.84704998       0.41322952       0.58851604       0.50391733
Li       2.02201006       5.14129000       2.59454998      -0.38327432       0.92814008       0.73930476
Li       4.52032004      10.45280004       5.18375995       0.97988618       0.19007244      -1.05147081
Li       3.82419003       1.16473004      10.19130001       0.49522560      -0.38360777      -3.46451314
Li       9.33289995       4.45750995       5.84258001      -0.38325948      -3.29290342      -0.47508078
Li       4.23978003       3.21315005       6.27830004      -0.77912518      -1.65294357      -0.02978310
Li       8.58746994       3.85965002       2.20466000       0.22802074       0.02401798      -0.49103258
Li       4.74133001       5.52466997       8.92305995       0.87292903       0.33070551       0.05712242
Li      10.68270002       2.81813994      10.41640002      -2.66805842       5.61435786      -2.19985727
Li       2.83369999      10.98709997       2.26013997      -0.11386648       0.52818169       0.12966099
Li       2.14698004       6.08185995       8.60310995       0.84204139       2.57965318      -0.87556379
Li       1.70770999       9.23754003       9.92528996       1.36830560       1.11635120       0.23502244
Li      10.08229996       0.30099804       0.31496900      -3.35227785      -2.85690552       1.67202215
Li       5.26880000      10.19869997       8.21150005       2.67830111      -0.70385629      -0.79841416
Li       5.66189995       2.71443003       0.18405595       0.85903309      -0.47075845       0.52475586
Li       2.20734005       8.06448999       1.61385000       0.27690259      -0.40944799      -0.21455889
Li       6.07294995       6.02021998       3.12020998      -0.23574357       1.15917858      -0.16395906
Li       4.74484004       6.43604996       5.59478995      -1.17310025       1.82291551      -0.68397233
Li      10.05179996       7.73592005       3.08471002      -0.10099905       0.31861692      -0.30180117
Li       3.76679002       2.77353997       3.01099005      -0.66943983       1.57295137      -1.65709754
Li       8.60866006       0.97014297       8.33390002      -2.24215282      -2.38425934       0.93705223
Li       2.28087001       3.27616002       0.35133801       0.39653375      -0.09052118      -1.55577290
Li       7.87844995       9.66504001       3.85232002       0.86165275      -0.10140837      -0.66826190
Li       0.50557903       6.41835000       5.61583003      -0.43079518      -0.28608588      -0.46481588
Li       8.71065004       8.00686000       6.87491001      -0.44187259       0.92410518       0.21695451
Li      10.52940005       0.93146199       3.23888005      -2.90056888       1.65511495       0.13640833
Li       2.26630996       8.80264997       6.90054995      -1.68317522      -0.61987775       2.42089383
60
Lattice="11.35711806 0.0 0.0 0.0 11.35711806 0.0 0.0 0.0 11.35711806" Properties=species:S:1:pos:R:3:forces:R:3 energy=-426.20882709 stress="-0.025225448945709644 -0.0015005455258731487 0.007870201672087712 -0.0015005455258731487 -0.02117023346219084 -0.0005816233166195505 0.007870201672087712 -0.0005816233166195505 -0.021246770891590334" free_energy=-426.20882709 pbc="T T T" config_type=melt 
Cl       1.68425005       5.62685995      10.51680001      -0.29547395      -0.17789931      -0.33789597
Cl       2.67816006       0.13162003       1.77133995      -2.50937254       1.78625478       1.73141183
Cl       5.02464002       7.22309994      10.71340002      -0.12226841      -1.44818898      -2.19316868
Cl       8.72721996       8.88251004       5.01443997       0.38028083       0.94921721       1.17303467
Cl       7.03261995       6.30332999       3.68355995       0.35190106      -0.38331511      -0.27575226
Cl      10.10029997       8.07938996       9.07041004       0.84340209       0.71112872      -0.30097329
Cl       0.83345403       4.07918005       3.47397001       0.11338909      -0.75620976      -0.85136022
Cl      10.45580002       6.98983996       1.12085999      -0.29744939       1.62579896       2.31813753
Cl       0.30929203       6.73442996       4.89200001      -0.81257454       1.97329967      -0.30820654
Cl       2.88094004       3.83144996       5.77435996       0.29471607      -1.01612752       0.55771828
Cl       9.25558001       0.85197897       6.05954003       0.00567682       0.55714048       3.04612555
Cl       2.75628999       8.25183996       2.12480004       0.30050288       1.10468639       0.05856079
Cl       3.44527001      11.02640003      10.58079998       3.31378733       0.08965035      -2.15294031
Cl       1.89270995       8.46735002       7.87300001       0.98492650       0.32230733       0.92036924
Cl       9.10102996       5.08275996       7.12569005       0.18675577      -0.10915383      -0.25233702
Cl      10.36299999      11.12860001       2.88912999       2.28869093      -1.25225983      -3.52509009
Cl       5.03832001       9.99777994       4.70471001      -0.33111824       0.16370879       0.52771566
Cl       7.42354002       2.71872995       9.62966997       1.38017658      -0.15962470      -0.21094421
Cl       4.36688004       3.10732999       9.92304999      -1.88218606      -0.02956952       0.77735835
Cl       3.74617004       5.19087995       1.72694997      -0.77730577      -2.97191797       1.05294559
Cl       6.11041004       3.56112999       5.97089000      -0.41249325       0.27128649       0.51028534
Cl       6.77827002       7.59140004       7.10686995      -1.29489185      -1.14292779       1.65031805
Cl       1.04099003      11.11610003       5.60492004       0.35915823      -0.06184918      -0.31914209
Cl       6.33437002      10.10839998       9.04669002      -0.05385987       0.21555970      -0.30489983
Cl       6.01160004       8.66997997       1.68859006       0.69875902       1.06222873      -1.22002894
Cl       6.22720005       1.30031994       0.79382405       1.65509751       0.79986263       0.03128323
Cl       0.20540200       1.26497001       9.31578001       0.78461911      -0.55842775      -0.13936599
Cl       3.35096005       0.83150504       7.62164995       0.80578914       0.76043770       0.20824198
Cl       8.21050005       2.54506996       3.27176005      -0.07599293       0.34039380       0.09296862
Cl       9.55377001       4.38594001       0.55029201       2.48890672      -0.38948323      -0.91856224
K        7.64928999       7.72666002      10.03439995      -0.27100301      -0.59648551       0.35750188
K        8.07943005      10.38810001       0.85878200       0.46445503       0.47635268       0.07125751
K        1.51261003       2.84495001       0.29333096       0.36392687       0.25164687       0.42079207
Li       5.15635999       2.93702001       4.02443999       0.54718809       0.35823084       0.11217172
Li       5.45057999       0.70608305       9.50766999      -0.14238711       0.86457674       0.22206450
Li       4.54509003       6.85786002       1.25518006       0.70264076       2.35631904       1.19933201
Li       7.17766000       6.03416005       5.89142004       0.41399453      -1.55732181      -0.69698622
Li       3.94400002      10.35110000       7.26905005       0.36079980      -1.89270065      -0.72931353
Li       1.66459996       2.09787004       4.30092005      -0.25246337      -0.30750065       0.30474857
Li       3.85234001       5.24495005      10.78629999      -0.13286212      -0.26966322      -0.15119113
Li       1.24951002       8.58862996       5.89177995      -0.19427902       0.45917961      -0.70758118
Li       1.20416002       5.09405995       5.63111001       0.01269756      -0.72289007       0.23793402
Li      11.21759995       6.87275000      10.60730000       0.44630081      -0.18094698      -1.13778039
Li      10.24310005       4.71945995       2.81983999      -0.95781787      -0.07903941      -0.29866392
Li       5.80758997       3.96318003       8.81300005       1.00405268       0.38280441      -1.32775994
Li       9.21181002       0.24032400       4.23218995      -2.34103547       0.44786463       0.29197447
Li       7.89041001       3.48011001       0.64338403      -2.72506118      -1.82793182       0.43740263
Li       1.64616997      10.61300003      10.84560005      -3.05955061      -0.60999876       0.59790560
Li      10.99009996       0.01898285       7.40134003      -0.03900056      -0.09230197      -0.42997351
Li       9.25421000       7.97717999       3.30588001       0.40850064      -0.89445421      -1.31254398
Li       1.72713998       6.50658005       2.33322996      -0.75057955      -1.17264611       0.05185756
Li       5.67675995       8.06692995       3.54489999      -0.15113778      -0.18772430       1.72171523
Li       4.01835995       8.92013004      10.08790004      -0.21195849       0.48991458      -0.54506536
Li       4.52051004       0.48295202       1.08006000      -0.43536403      -0.86112304      -0.25903276
Li       9.76551995       7.37901001       6.97912997      -0.21615333      -0.47643750      -0.43888765
Li       7.34972000       9.39953001       6.64953005       0.10438798       1.98812609      -0.33654983
Li       8.11714000       2.77156997       6.08381996       0.45918305       0.37484351      -0.22754509
Li      10.10879997       2.48299003      10.15139996      -1.72821608       1.13357635       0.20343639
Li       2.08375996       2.39988999       7.64016001      -0.29518349       0.96134382      -0.05786543
Li       3.18921004      10.24850002       3.29802997       0.24437637      -1.09162040       1.08083873
60
Lattice="11.35711806 0.0 0.0 0.0 11.35711806 0.0 0.0 0.0 11.35711806" Properties=species:S:1:pos:R:3:forces:R:3 energy=-427.84562384 stress="-0.012976007270421407 0.0015343409572238843 0.0004941080401015424 0.0015343409572238843 -0.011921236386824203 0.003021018436521178 0.0004941080401015424 0.003021018436521178 -0.02455216023584109" free_energy=-427.84562384 pbc="T T T" config_type=melt 
Cl      10.82010003       8.40441001       3.80628996       0.23680105       0.25146866      -0.10939916
Cl       9.20373999       7.83462998       1.01195999       0.54308793      -0.00565586      -0.76079028
Cl      10.72050003       0.34863502       0.91943900       1.06562716      -1.69454042       5.33764189
Cl       0.98343398       2.09392003       3.90448997       0.72396326       0.34674043      -0.00487583
Cl       9.11097005      11.24509997       5.97397005       0.30595111       0.60460196       0.06128201
Cl       7.36004998       9.61450004       3.28001997      -2.46294650       0.80412467      -2.04259535
Cl       8.09672001      10.83249995      10.53020005      -0.53924600      -0.10841967      -0.20284067
Cl       0.74073804       6.28288003       6.05524000       1.16691288       0.49151765       0.32687859
Cl       5.40520001       9.76419003       9.07838001       1.88971218      -0.06564926      -0.20116814
Cl       8.41929999       6.22462006       9.76142003      -0.40725011       0.58895479      -0.70482261
Cl       9.74986996       4.24125998       6.25866994      -0.32382425      -0.44540812       0.32283055
Cl       1.77797001      10.80210002       6.27014995      -0.56447599      -0.36499937       0.10447914
Cl       7.19125004       6.38091001       4.21985999      -2.21746194       0.45387523       0.13777795
Cl       2.82160000       1.35155997      10.36590003      -0.14783982       0.29386312       1.02451069
Cl       9.86389996       4.10630005       2.81681002       0.19543714       0.42504158      -0.11344152
Cl      11.12900001      10.84660004       9.39554002       0.34382072      -0.08724459      -1.08876669
Cl       4.42745005       1.29003005       7.52963004       0.00575819       0.22108041      -0.03097406
Cl      10.05370001       3.62074998       9.56076997       1.70593157      -0.53032481       0.69096921
Cl       8.97525000       8.10363003       6.70794005      -0.35648348       0.02298897       0.48694950
Cl       2.48767995       4.53465000       9.40624002      -0.55914764       0.70921471      -0.16793533
Cl       4.14928004       7.46542995       1.34191005       1.07021823       0.82569499       0.61890922
Cl       4.69779999       0.33755399       4.72678995      -0.37214735      -1.19444874       0.06979127
Cl       5.84613001       2.70483997       1.13271001      -0.24641106      -0.40232463       0.16132010
Cl       2.01473003       9.87909000       1.26715000      -0.34139489       0.84767243       1.01620490
Cl       2.70362998       9.20593998       8.72970002      -1.38417210      -3.40958504       0.40672576
Cl       4.31818003       5.14704000       6.70735004       0.69383175      -0.47055580      -0.04472784
Cl       1.10485997       6.84808995       0.07095746       1.40504380      -0.07482924      -1.10508095
Cl       7.31370998       2.15328006       8.91150999       0.10028184       0.47687766      -0.54546735
Cl       6.47941995       2.98432002       4.97267996       0.66424592       0.70636053      -3.09240131
Cl       4.56954997       8.20431996       5.07633001      -0.52455025      -0.28808275       1.38542253
K        3.82234995       5.45655997       3.87088005       0.30149919       0.07184670       0.13089136
K        9.51121999       1.07934995       3.23310996      -0.64329842       0.58629254       0.74574101
K        3.38047004       5.05620997       0.73431105       0.09064867      -1.62653803      -0.72110777
Li       6.98059004      11.22869995       6.36871996      -0.97674058       0.12990851       0.05327222
Li       1.15134999       8.87529997       5.39533000      -0.42578220      -0.47768008      -0.27442685
Li       6.00477998       0.83571399      10.26029995      -0.20616445      -0.15595069      -0.07924819
Li       9.40088003       9.96538002       0.59266098       0.19387983      -0.23979029       0.22619194
Li       6.28310001       6.39005000       6.14065995      -0.39466888       0.23340575       0.60855012
Li       7.63803997       8.60159002       9.78977001      -0.38420368      -0.09275892       0.12952829
Li       8.68878997       5.18881000       4.43261004       1.89524792      -2.12558376       0.18517416
Li       3.04906002       6.59226996       7.66024995      -0.86892104       0.24106714       0.49299091
Li      10.56210003       1.13501005      10.72250002      -0.72903724       2.63382317      -5.13015499
Li       0.24639199       7.76095000       1.53282003      -1.29144450       1.65927335       2.01275276
Li       8.77679004       9.32175998       4.48416000       2.53612559      -0.64716898       2.29703347
Li       3.06121998       8.93900001      11.07750002       0.37326041      -0.41770705      -0.51702932
Li       9.94310996       6.24549001       7.65396004      -0.12885728      -0.22236141      -0.02491847
Li       9.69589003      10.07439994       7.85657001       0.13003643      -0.12259879      -0.01091357
Li       3.35876000       3.12673998       7.96445002       0.14839696       0.09564670       0.36430442
Li       6.33025000       2.67127003       6.80619002      -0.55467375      -0.41104653       3.27381103
Li      10.02329996       2.38517003       7.70625003      -0.46537962      -0.05745323      -0.15637305
Li       3.92204001       9.69001999       7.07256997       0.57907817       0.58968756      -0.55504298
Li       0.29826904       4.36856998       4.90021995      -0.65831431      -0.25062815      -0.34849973
Li       2.20897002      11.09519998       9.06244995      -0.85959405       1.53014848       0.01216402
Li       1.49584000       1.19104005       1.65091997       0.06135109      -0.72800699      -0.35181260
Li       5.28241003       0.98670199       2.92223997       0.82068403       1.06125427      -1.40192606
Li       0.37986198       5.23236001      10.53109999      -0.71424371      -1.59749371      -1.14457199
Li       8.12782001       4.08491005      10.47720001      -0.58750948      -0.14031754      -0.01563614
Li       4.79444998       8.81983999       3.08098000       0.24417401       0.51954701      -0.72308786
Li       2.58003001       1.11889998       5.28033997       0.51853707       0.17781512      -0.23572649
Li       8.08644001       7.31104004       2.68901996       0.32664046       0.85535836      -0.77833588
60
Lattice="11.35711806 0.0 0.0 0.0 11.35711806 0.0 0.0 0.0 11.35711806" Properties=species:S:1:pos:R:3:forces:R:3 energy=-427.57107045 stress="-0.02096486259625241 0.004379294035945029 0.00952410323674597 0.004379294035945029 -0.01918925050513382 -0.0005120920124214062 0.00952410323674597 -0.0005120920124214062 -0.0139781168750406" free_energy=-427.57107045 pbc="T T T" config_type=melt 
Cl       2.77488000       8.58681998       1.37577005       0.14748576       0.26251699       0.27447045
Cl       9.01502001       4.52782005       3.98119004      -0.13630008      -0.15467496       0.20727033
Cl       9.58885998       3.99155999       7.71424998       1.47137141       0.36005313      -0.54562981
Cl       2.09369005       4.42991999       8.23039999       1.62327439      -0.62957575      -0.03814781
Cl       1.58908001       3.32309002       0.21100299       1.33139603       0.38330400       0.29457586
Cl       1.31713995       0.10535805       7.44266995      -0.05386561      -0.64578741       0.82697081
Cl      10.47549996      10.64710000       4.28469005       1.01690855      -0.01087638      -1.87478165
Cl      10.56330003       1.38369005       9.88840999       0.14441024      -0.26952257      -0.32401237
Cl       6.36916005       4.11134999       8.01137002      -1.57840043       1.01409365      -0.11393192
Cl       1.72926001       6.81161997       5.24433995       0.44731155      -0.01712042       0.50779081
Cl       5.21102998       9.56653995       4.98239995       1.13569758       1.10569980       0.54069204
Cl       9.95424005       1.71641999       1.60956995       1.47593529       0.57941696      -3.21513019
Cl       7.31593995       8.04545001       2.43186005      -0.33764713      -0.41344508       0.59582646
Cl       3.05427998       0.49942802       3.90807995       0.01219525      -0.70301308      -1.05658806
Cl       1.15637994       7.79119003       9.11840000      -0.73119774      -0.09108925       0.03738599
Cl       4.82709999       6.40045005       5.24331997      -2.33832425      -3.72086783       2.56404092
Cl       0.02313740       8.17180999       3.16339997       0.13446773       0.57696701      -0.38384794
Cl       6.24049004       2.18201004       0.11972095       1.42613801       1.21666548       0.73047186
Cl       7.26009996       7.21773995      10.29469998      -0.23627710      -2.05066874      -0.65704735
Cl       9.67142998       9.38219995       0.26557803      -0.16679704       1.49369135       0.26814982
Cl       1.23350999       2.79066003       4.91519999       3.61656779       0.07738428      -1.40362050
Cl      10.26639998       5.30958001      10.99129995       0.12653493       0.13081850      -0.35415368
Cl       9.56012000       1.29967997       5.81028002      -1.06693495       1.12939469       1.48183806
Cl       4.07945000       9.32022995       8.66630004       2.22541965      -0.68258612      -0.26697091
Cl       9.00931999       7.78330001       7.15062995       0.79455059      -0.20243225      -0.59913664
Cl       3.68630996       0.74245501      10.95169995      -1.87706794      -0.53033137       0.39786372
Cl       6.08574999       1.76636996       4.86291000       1.14407562       1.02068242      -0.79365107
Cl       7.90997004      10.40259999       8.68888004      -0.01450190       0.86577601       0.52679524
Cl       6.09781000      10.41050000       0.60537698      -0.56174628       0.65498929       0.67622221
Cl       4.50500996       1.58752000       8.06735005      -0.10496641      -0.45329768      -0.85984230
K        0.17354596       5.70275003       2.66735001       0.42974164      -2.29469686      -0.07561354
K        3.20292001       6.37635002      10.98150001      -0.18232399      -0.31524380      -0.50446906
K        7.92613996       5.03738998       1.21938004      -0.58774065      -0.18194521       0.55898759
Li       4.71633004       2.47207004      10.07789998      -0.34226760       0.23613973      -0.64029420
Li       5.92656998       7.56336999       4.46640996       3.29968052       2.60827544      -2.35173224
Li       3.91945002       9.98976000       0.19123195       0.22871662       0.05225536      -0.29438960
Li       0.01203139       7.05482005       6.44840003      -0.43943554       0.02992032       0.46947409
Li      10.92960002       3.04045996       5.59462005      -4.06594202       0.82188405       1.46197155
Li       9.65618997       0.70388101       8.06958002      -0.45368035      -0.08141210      -0.96010384
Li       7.32692002       9.01430996      11.16229999       1.02920865       0.46800472       0.31001577
Li       2.22228999       9.89846001       8.93902999      -1.94786253       0.25048518       0.04972226
Li       7.21516995       6.83619995       8.10109001      -0.17607107       0.04223009      -0.33473673
Li       1.42958996       1.52516998       9.20413000       0.49912853       0.46716992       0.23237128
Li       1.33638004       9.96462999       2.65023994      -0.18098642      -0.03715253       0.22042951
Li       3.73487005       8.71307002       6.01204002      -1.47787270      -1.42589175       1.01118001
Li       9.85787002       9.63161998       5.94916997      -0.64260446      -0.27762353       0.76790470
Li      10.02679999       7.66865002      10.60239997       0.45150828      -1.14073372      -1.13131005
Li       0.26425095       4.85584997       8.75100995      -2.09605275       0.51703855       0.71660682
Li       9.50511997       8.61732997       2.33522995      -0.48257652       0.46529805       0.29315747
Li       4.52354001       0.72312599       5.63276997      -0.60436803      -0.36774250       0.83166173
Li       8.08519004       4.33336995       9.04502995       0.60144623       0.08615584       1.33403691
Li       5.50235005      10.09880003       3.03079005       0.34546077       0.29450538      -1.48109338
Li       3.88419003       1.93124999       1.92984000      -0.16961763      -0.31824053      -0.19626234
Li       1.23106004       0.52375303       5.38043002      -0.55300619       0.45389769      -0.99740073
Li       7.08669005       3.67922005       5.99475006       0.61283236      -0.49268665      -0.88982821
Li       8.71982001       0.36192205      10.85129996      -0.09847758      -0.21132991       0.33688363
Li       3.77219998       4.53332996       6.88824997       0.36750696       0.09980710      -0.61537819
Li      10.89890003       2.99174996      11.28809994      -0.51585099       0.23671366       0.58182457
Li       5.69188002      11.06130000       9.16176999      -0.19160865       0.20387591      -0.13860456
Li       9.04010005       1.45362003       3.16579995      -1.72659840      -0.48512258       3.99111640
60
Lattice="11.35711806 0.0 0.0 0.0 11.35711806 0.0 0.0 0.0 11.35711806" Properties=species:S:1:pos:R:3:forces:R:3 energy=-425.43620389 stress="-0.021095046895094477 0.0029960798002427076 -0.002269724156993516 0.0029960798002427076 -0.026888972065070346 -0.004242696311849716 -0.002269724156993516 -0.004242696311849716 -0.01655075838440296" free_energy=-425.43620389 pbc="T T T" config_type=melt 
Cl       2.13234003       9.90639001       2.59767000       0.29538572      -1.09398931      -0.96319184
Cl       6.86545998       0.90331099       1.77277004       1.68239432      -0.58606371      -1.45916858
Cl       3.95679994       3.09242002       2.99234996       0.36116084       1.33476364      -0.58483928
Cl       2.13217001       2.00547000       7.51902998       0.79059899      -1.32036418      -0.41514446
Cl       9.93346004      10.27059995       1.41350998       2.19036905      -1.54154871       1.19898275
Cl       5.29161997       7.90691997       2.69391999      -0.11355646       0.39868887      -0.99701706
Cl       3.07755003       6.13565998       6.70840001       0.18190274       0.08991082       0.35355075
Cl       9.79944003       4.24737999       7.06939998      -0.33812697      -0.46403748      -1.35242719
Cl       0.71002805       7.89843995      10.15379994      -1.99012074      -1.91181448      -5.14292949
Cl       3.64840001       1.17434997      11.10720002       0.64686758      -1.68128314      -1.09415962
Cl       6.08363995       9.17919999      10.57069998      -0.10906520      -0.32677882      -2.64756123
Cl       0.69929194       2.17376001       1.67593005       0.19700013       0.60975498      -0.13356435
Cl       4.62269004      11.27539996       8.55032002      -1.71914142       3.53337184      -0.41952599
Cl       7.85645995      10.72199997       7.35548998       0.04721662       1.33132393       0.94984565
Cl       2.79610997       5.30032997       0.83847002      -1.98910313      -0.29914816       0.04263963
Cl       6.11789994       8.25459997       6.22081996      -1.76927725       0.65939593      -0.91147218
Cl       9.33234005       7.53819001       2.88211005      -0.77377555      -1.03113573       0.71018903
Cl       2.94435001       9.24745002       6.52108002      -0.34627513      -0.31106762       0.11024308
Cl       7.01123995       1.79452005       5.46866995       0.13494681      -1.96128346      -0.75842392
Cl       9.08745003       3.81724004       3.53472003       1.84816681      -0.24991245       2.06070053
Cl       0.26752305       0.13315403       4.95929003      -0.35743594       0.36952679       0.87751530
Cl       7.80594997       6.63104997       8.50601999       2.65243114       0.75103402       0.75769716
Cl       3.95685003       0.67796305       4.40523995      -0.11931230      -2.27799038       1.98974441
Cl       9.41106997       1.09356997      10.04329995      -0.15045415       0.08125906      -0.41946309
Cl       1.51113997       4.41157995       5.20875004      -1.24159945      -1.47623960      -1.23570970
Cl       6.42921002       3.61778997       8.72469005       0.59006541      -0.24487189      -1.36035778
Cl      10.92880003       4.61434006       9.86358003       0.53761818       0.21170165       0.75383540
Cl       6.43586995       4.52835997       0.33100502       0.23861678       0.63817402       0.59297887
Cl       5.98416000       5.67844001       4.79045000      -0.08208092      -3.05993412       1.82208540
Cl      10.49749995       7.80298996       6.22109004      -0.23568088       0.02333037       0.15942211
K        8.22220004       7.95058003      11.32879999       1.46676523      -0.84028737       0.62363536
K        1.08414004      11.01790002       9.33930003      -0.17975012       0.45570462       0.04275023
K        5.32072997       6.46574996       8.09587005      -1.32561120      -0.67436060       0.71561515
Li       3.06480996       2.66218002       0.78288806      -0.93029050       1.99271004       2.09153725
Li       8.79388000       4.70122996       9.01414994      -0.51177276      -0.56248651       0.13316444
Li       5.36836002       1.17778005       2.93612995      -1.19920055       0.96342994       0.76108249
Li       9.19965995       5.62130996       4.86786000       0.70520691       0.42882440       0.39392963
Li       5.60473004       9.76392995       8.21855997       2.37544207      -2.91201888      -0.69867212
Li      10.75520000       6.75576998       8.90358999      -0.60669624      -0.37408620      -0.81347844
Li       5.12208001       9.63825004       0.78236199      -1.36861553       0.95099580       2.69353690
Li       0.71516704       4.45907996       0.54940399      -0.21211162      -0.45408017       0.26556258
Li       7.88422004       8.91735004       6.66289999       2.25357742      -1.31609082      -0.06885349
Li       5.08847997       2.17025997       9.47252005      -0.71573562      -0.93107234       0.61539722
Li       0.98527803       0.33413198       2.99754005      -0.10402602       0.09090343      -1.13173917
Li       3.92434005       5.21131004       4.45217994      -1.14792087      -0.62367670      -0.05258907
Li       8.57851997      11.29010005       0.56529101      -1.66757065       2.07006626      -1.30731553
Li       1.01317997       3.53344997       8.21286994      -1.01725687       1.15642876      -0.00138145
Li       7.87901996       4.04290995       2.11121999      -2.26030152      -0.10326764      -2.54934860
Li       1.34856998       8.58395003       0.23333597       2.26045014       2.66818013       6.33209575
Li       2.59173000      11.28360003       6.12537997      -0.59052197       0.59473283      -0.16137221
Li       5.30647997       0.72442899       6.38517995      -0.09748137      -0.28342118       0.00504780
Li       7.01966999       6.81754998       3.68671995       1.41013349       2.19442483      -1.88059217
Li      10.83300001       2.99947996       4.81646995       0.39064779       0.04892182       0.20375672
Li       1.37347001       7.48333002       6.50105004       0.09916174       0.22441541      -0.30657671
Li       7.82963001       1.52452002       7.80952996       0.51784016       0.11119647       0.53196636
Li      10.33820002       9.38278996       3.93940004       0.22417540       0.13361678      -0.20860075
Li       2.49228004       2.21212004       4.53668996      -0.56599848       1.27916186       0.04627153
Li       4.58365006       5.84533002       0.29664804       2.04671780       0.31667937       0.01024794
Li       7.01392999       3.57478999       6.11930005      -0.05411743       2.89395522       0.89865934
Li       4.34306995       8.53371000       4.64504005      -0.25487446       0.30572775       0.33178874
60
Lattice="11.35711806 0.0 0.0 0.0 11.35711806 0.0 0.0 0.0 11.35711806" Properties=species:S:1:pos:R:3:forces:R:3 energy=-425.48364659 stress="-0.017935170952408395 0.003035624129611566 0.0011872636420385346 0.003035624129611566 -0.020984823310686025 -0.007435238771647917 0.0011872636420385346 -0.007435238771647917 -0.0207617451023537" free_energy=-425.48364659 pbc="T T T" config_type=melt 
Cl       9.62704999       3.15744997       8.81898003       0.27785851      -1.68304169      -2.53472068
Cl      10.10329995       4.54894997       4.13325004       1.05621357       0.45556350       1.07321151
Cl       1.70063996       6.56884999       1.85543998       0.31029847       2.52239511       2.67606785
Cl       7.94619005      10.75859998      10.53100004       0.10116012       0.62490139      -0.45200461
Cl      11.31019999       0.96389201       3.04391002      -1.56892550       1.57210204       1.39413572
Cl       2.53086005       7.20284997       9.08642005       0.81580207      -1.04319586      -0.93720138
Cl       4.24142000      11.11559997       2.55160996      -0.67900990      -1.60653029      -0.54753014
Cl       6.51301999       4.67408997      10.21429999      -1.50014755       1.98841541       2.03965416
Cl       6.05268998       9.25523998       5.62027998       0.88532381      -2.91041711       1.57458868
Cl       7.90779004       5.62024000       6.63908002      -0.49682346       0.32119979       0.11944720
Cl       9.55271005       6.60448999      10.76279996       0.25857744       0.58569543      -0.14830231
Cl       3.13866996       2.76162000       6.40404003      -1.30290876       1.20723384      -1.81650390
Cl      10.65100003       9.16786002       2.08696005      -0.27804196      -0.15976061       0.04090992
Cl       0.38584105       0.33706200       8.08658004      -0.08548848      -0.95266280      -1.74848805
Cl       2.71291000       9.62680002       5.45531000      -0.61397724      -0.22862590      -0.61504034
Cl       4.26795000       2.49869999       0.60588805       0.92682484       0.22012845       0.50152278
Cl       6.44504003       2.37228004       8.67765000      -0.80631059      -2.17991530      -0.98201870
Cl       7.41767997       8.64278002       2.72388995       0.16658348       1.11020557      -0.24696805
Cl       3.62738003      10.84290001       8.58606995       0.17175347       1.46314323      -0.51304077
Cl       7.91487995       2.02206003       2.22533995      -0.15237528      -0.54326312      -0.98211134
Cl       4.66503005       7.89878998      10.97570004       1.85367811      -0.16872425       2.52037685
Cl       1.42160999      11.10960001       0.06028199       0.06924299       0.93283050       0.12451003
Cl       2.55633997       6.15973003       5.79494996       0.70705641       3.22043549       0.79544639
Cl       4.37957003       6.47752002       3.23490995       0.75198998       0.38800291       0.12348644
Cl       1.97595001       3.93951997      10.21239995       0.07795396      -0.23784294      -0.31940423
Cl       0.07548758       8.47766001       8.10702001       2.29510696      -1.64322634      -1.74009178
Cl       8.79410998       0.01012226       6.41462998       1.90122021       0.19291544      -0.90193688
Cl      10.48819995       3.00146995       0.42279995       0.97899500      -0.73989709      -0.69502175
Cl       7.41564000       5.61973995       2.38560001       0.21032320      -0.81494905       0.21601543
Cl       5.77623002       1.45626998       4.49302003      -1.03142768      -1.16846676       1.93611558
K        7.49190998       3.30989998       4.81283000       1.02214036       1.29837828       0.33435161
K        1.14676001       8.39773997      11.12769996      -0.86414694      -0.08406316       0.32341130
K        4.97146997       5.94854998       7.63894003       0.24292218       0.03988860      -0.19094656
Li       5.55452999       4.58219998       1.36812001       0.67270973       0.09663086       0.26982771
Li       9.84066001       9.14398997       8.66995999      -3.58606785       1.40801199       1.33265331
Li       4.34907003       5.83014998      10.65509995      -0.32654845      -0.58691677      -0.42030234
Li       7.78739005      10.16719998       5.12051000       0.22068512      -0.15115764      -1.61052524
Li       2.18192998       7.55590995       4.09257997       0.59803682       0.36398574      -0.53228668
Li      10.98929996       1.22235004       5.74298001       0.00164885      -0.34860820      -0.13067668
Li       2.27555999       4.45838002       5.22924997      -0.47631526      -4.08416819      -1.40154065
Li       1.15683003       6.62210999       7.21131000      -0.64622713       0.42809625       1.45654392
Li       8.39400996       9.07524999       0.41841395       0.35322863      -1.36155555       0.98083268
Li       3.91033002       9.17474005       9.71184996      -0.72770854       0.28319927      -0.86553932
Li       9.79960005       6.69072004       3.51650004      -0.40067366       0.24058452      -0.76651909
Li       6.66131998       7.05618994       4.17986998      -0.40271707      -0.27384537      -0.19486625
Li      10.09190001       3.67714000       2.25952998      -0.81199490      -0.32803803       0.49840966
Li       1.48276001      11.15470003       2.65759004       1.59863588      -1.26884700      -0.80408523
Li       6.09599002       1.35272998      11.07250005       0.39267070       0.24359943      -0.46334174
Li       0.18416805       1.87701998       9.23327997      -0.48130985       2.09661499       1.63041021
Li       5.58407996       1.47448998       2.45058999       0.08588537       0.11262089      -0.54797574
Li       9.83479996       4.38502996      10.29190000       0.12381508       1.94747741       1.66191452
Li       7.73458002       4.23654995       8.61712997       0.37475506       0.20399208      -1.11859743
Li       7.83593003       0.57082102       8.02486001      -1.19530039       0.97239761       1.97717516
Li       9.43954000       0.41773400       1.19417995       0.36088702       0.35052879       0.37974956
Li       1.54955996       9.93609001       7.34075003       0.68452345       0.26225856       0.08468740
Li       2.57160996       1.58571001      10.80640005      -0.15388150       0.01613291       0.24186660
Li       1.28789003       5.19271004       0.75378101      -1.13622348      -3.43935796      -2.73053722
Li       4.82883002      10.59469996       5.06498005      -2.03837884       2.30411877      -1.11757380
Li       3.94817001       1.93566995       7.92702003       1.41201880      -1.36377908       1.79228051
Li       5.16665999       8.75393997       2.13284996      -0.19759537      -0.10282900      -0.02390381
60
Lattice="11.35711806 0.0 0.0 0.0 11.35711806 0.0 0.0 0.0 11.35711806" Properties=species:S:1:pos:R:3:forces:R:3 energy=-427.71957973 stress="-0.006857107566901279 -0.0006449123377446803 -0.0010845425513276844 -0.0006449123377446803 -0.01618597788366879 0.011611409590230366 -0.0010845425513276844 0.011611409590230366 -0.008915138777189177" free_energy=-427.71957973 pbc="T T T" config_type=melt 
Cl       8.06796004       6.61514001       7.82087004       1.71459013       0.24221428      -0.64325904
Cl       2.97701001       3.01635005      10.25540004      -0.44725037      -0.98346676      -0.93764541
Cl       6.36728000      10.32559998       0.54229796      -0.03544066       0.31328856      -0.49737076
Cl      11.08933209       7.21668999       5.08293997      -0.50829077      -0.11252360       0.96479449
Cl       7.19684001       8.05268994       4.20376002       1.45877249       0.37729590      -0.56942936
Cl       9.55448005      10.47649996       7.27534995      -0.27437952      -0.10988453       0.61048944
Cl       9.35470005       3.76865997       5.51119997       0.03691318       0.01691643       0.43937563
Cl      10.68119997       4.87256003       9.84945996      -0.34195615      -0.00749670       0.21360508
Cl       4.17847999       4.07083995       2.09729003      -0.23786443      -1.75515123      -0.31243657
Cl       6.31283000       1.62965002       9.30474997      -0.15442980       0.01686475      -3.46158842
Cl       3.25541999       8.82924005       4.27692996      -0.42564554       0.60903238       0.49174309
Cl      11.00829997       1.97105998       8.12521003       1.97490186       2.21724427       0.81426023
Cl       1.44237001       5.98604005       2.62069997       0.12003196       0.07573082      -0.17186863
Cl       4.26677999       1.17937004       6.00214002      -0.18571046       0.64935533       0.38205760
Cl       2.52844996      10.97490004       9.11558002      -0.67605023       0.57638755       0.65445797
Cl       8.05817998       0.58872597       4.65099004      -0.35611095      -0.03786642      -0.33252267
Cl      10.25030001      10.17190001       1.36853999      -0.39948531      -1.24608505      -0.40722048
Cl       6.07366999       5.26372996       9.61576999      -0.35373236      -2.62778575       3.11029265
Cl       5.02866998       5.97244002       4.97101001      -0.31059230      -0.52015816       0.23435816
Cl       2.18309999       9.39034005       0.98141196      -0.91630729       2.11004785      -3.77425318
Cl      10.76980003       1.53565999       0.24197101       1.16963312       0.74824693      -0.80465461
Cl       3.64766998       0.81873998       2.03085998       0.29955483       0.14381589      -0.92651153
Cl       5.19450003       9.63923005       7.71408996       0.55945001      -0.56116929      -0.07487159
Cl       9.15004002       5.43833997       2.60790004      -1.87140803      -0.66912469       0.17708146
Cl       2.91919001       6.31907005       8.81501003      -0.36675236       0.46346882       0.36757086
Cl       0.20363494       8.37810000       8.86277001      -0.75413457      -0.23420568      -0.09994368
Cl       7.36422997       2.46902997       1.64628002      -0.09879431      -0.05569866      -0.09612087
Cl       4.79125999       6.64058995       1.40996997      -0.74777577       4.16267907      -1.95437746
Cl       0.91835701       1.12435003       4.03754996      -0.73424643       0.01041185       0.96073113
Cl       2.08463002       4.01380995       6.42390000      -0.41845135       0.06274918      -0.03722902
K       10.14779998       9.61049995       4.23691997      -0.68962909       0.84217537      -0.05390609
K        1.67386998      10.10200001       6.63946003      -0.05529005      -0.35495829      -0.97991233
K        8.03266996       7.42390004       0.77594000      -0.47571451       0.79149182      -0.04488768
Li       0.16596497       9.44867998      10.73269996      -0.10158107       0.57476897       1.32674702
Li       7.33210000       0.04058194       2.38594005       0.13193656       0.17038892       0.18451063
Li       4.11154999       2.48726996       3.45736000      -0.12469296      -0.74390770       0.87175640
Li       4.84117998       2.77555995       8.23493001       0.11442894       0.70255985      -0.20883707
Li       8.65209002       5.92489004       4.72785002      -0.19489141       0.69536044       0.66245115
Li       4.31141006      11.04045605      10.29680003       1.04653224      -0.34151188       0.41818707
Li       3.59499998       5.92314002       3.00782006       0.43114277       0.08780415       1.35704838
Li       1.81838999      11.20089999       2.53809999      -0.25061627      -0.56677873       0.12890499
Li       6.54348000       1.39070000      11.11539804       0.69715835      -0.60897871       4.00511397
Li       1.89371006       1.52962004       0.18463301       0.19289441      -0.79182094       0.84302245
Li       8.94740995       3.90973003       8.21879995       0.11587263       0.50308185      -0.02069502
Li       0.30541800       6.01008001       8.17737997       0.74469652       0.27130613      -0.02189101
Li       6.07753004      11.20289998       6.35490006       0.42125491       0.16703810      -0.13970775
Li       6.06386005       5.28411996       1.79960997       1.51016321      -2.25715270       0.92525936
Li       9.00570002       2.98139999       3.20632999      -0.15046715      -0.31242479       0.19261860
Li       0.65737998       3.01576004      10.26710003      -0.93687807       0.51176370      -0.53804594
Li       6.04296000       6.38529000       8.11759996      -1.44619779       1.67543502      -2.40673815
Li       3.73435000       4.70484005      11.25610002       0.66706952       1.36369687       0.10924120
Li       0.99598904       5.57114999       4.99756999       0.76177980      -0.80796551      -0.07404950
Li      10.03050003       0.58848395       8.99387998      -1.35361671      -2.00505188       1.33839503
Li       5.26898001       8.44210996       5.07124998      -0.19168839      -0.67082206       0.36804984
Li      10.87160001       5.76043000       1.77678001       1.64244929       0.15593432      -1.07184516
Li       2.48891004       8.28886996       2.40719001       0.53697424      -2.63041927       2.28173267
Li       2.26077995       8.48660999       9.50209001       1.08229183      -0.54024599       0.06056945
Li       8.29079999       8.68802996       8.51959004       0.13480615       0.51444108      -0.74411296
Li      10.63999998       1.87411006       6.20331001      -0.43639617      -0.12182765      -2.71959987
Li       2.57665002       2.07184997       7.40259999      -0.54283036      -0.14851381      -0.36889421
60
Lattice="11.35711806 0.0 0.0 0.0 11.35711806 0.0 0.0 0.0 11.35711806" Properties=species:S:1:pos:R:3:forces:R:3 energy=-428.1458249 stress="-0.015796155125121645 -0.003691311427979115 0.0023313253554623336 -0.003691311427979115 -0.009638379127195914 -0.0010361174657330264 0.0023313253554623336 -0.0010361174657330264 -0.006928081546001798" free_energy=-428.1458249 pbc="T T T" config_type=melt 
Cl       5.41315000       1.57532995       2.20489997       0.15014640      -0.68979346       0.41726919
Cl       2.59622004       2.41492000       7.01908999       0.41832823       0.07555835      -0.32149973
Cl       4.49604000       9.20794996       1.34677998      -0.00110088       0.11121347       0.32913463
Cl       2.99929995       1.95165998      11.10700002      -0.50955484      -0.09309600       0.21647876
Cl       4.51674005       5.19949001       8.25208005       1.70940587      -4.18755129      -2.40669402
Cl      11.02980001       5.08094998       3.73197001      -0.27004023      -0.15949158      -1.44613389
Cl       2.53274999       6.14672999       5.69608999      -0.35426700       0.43565848       0.50419779
Cl       9.82977001       1.00737001       1.44892999      -0.74599005       0.12416743       1.63759983
Cl       8.25605005       2.77017997       8.03385996      -1.10606023       0.11297542      -0.33567141
Cl       6.64803000       3.80427998       4.71464998       0.36869409       0.29544496      -0.24400339
Cl       0.94358105       4.93864994       9.85255000      -0.61983568      -0.27648025      -0.08654459
Cl       3.00721995       4.92284004       2.77769997       0.34862393       0.94883915       0.39206121
Cl       3.60681002       7.33518005      10.23769997      -0.48782853      -0.05438961       0.30295594
Cl       9.05526998      10.71109997       4.76703003      -0.09986747       0.89023067       0.32482337
Cl      10.80680005       3.11381002       6.22564004      -0.06311978      -0.92497114      -0.29451559
Cl       7.05726001       7.31136996       9.53876998      -0.81341832      -0.89519967       1.47908815
Cl       4.59222002       9.38333998       4.98137996      -0.22789616       0.28467897      -0.66135739
Cl       1.45598004       1.50468004       2.89963999       1.39487750       0.07722837      -0.30313214
Cl       8.70081001       3.55823994      10.96380005      -0.14761543      -0.51589357       0.90760074
Cl       1.03403005      10.20779997       7.97979996       0.69289476      -1.88812687      -0.31739733
Cl       6.58497005      10.98829997       8.68568005      -1.17915673       0.37260428      -1.26002824
Cl       9.52825999       9.05364000       7.62566003      -1.41771121       1.11705365       1.66310029
Cl       7.67450995       8.22977002       2.20451997       0.45227675      -0.97712925       0.87229501
Cl      10.76709999       8.10908996       0.50043698       0.62813578      -0.78080551       0.57790912
Cl       5.65658005       4.92898004       0.82657196       0.11902955       0.01003378      -0.07432908
Cl       8.06923999       9.95724003      11.15170005       0.55170413       1.14983007       0.04956036
Cl       0.58281005       9.02258998       4.00512005      -4.75541448      -1.63404108      -1.24913837
Cl       6.34295998       6.92844996       6.49050995       0.21530502       0.42583734      -0.88402812
Cl      10.51520002       0.78356801       9.64870995      -0.15194500       0.32336006      -0.92085766
Cl      10.45120005       6.55092005       6.56481003      -2.08184529      -1.39763975      -1.00102206
K        6.25053995       0.87093400       5.33580995      -0.27703642      -0.03354725       0.32690690
K        3.76042004      10.15740004       9.81243995      -0.27462219       0.61168649      -0.27963710
K        9.34630998       5.87807997       9.74782999       1.06610654       0.84643423      -0.41600118
Li      10.12089996       9.24358996      10.19940002      -0.34084049       0.82564099      -0.84312024
Li       7.14709005       8.89399004       8.30325000       0.84811383       0.84209318      -1.28706772
Li       9.12330002       5.03729003       4.97140001       0.29351291       0.08606420       0.65060608
Li      10.49389997       3.28863002       8.62882996       0.32866515      -0.29976182      -0.08376750
Li       6.52074998       3.71556999      10.25849996      -0.24918765       0.39827796       0.15827498
Li       7.63581000       0.66617402      10.21350000       0.92933496       0.08634384       0.36868451
Li       3.77793998       6.41981995       1.07130002       0.44066574      -0.01476322      -0.46534781
Li       6.50680003       8.53689999       0.22109004      -0.07236337      -0.59178259      -0.08803794
Li       5.05770002       6.92874002       8.48521000       1.07642809       3.29633354       0.48227169
Li       1.66048005       4.11991996       5.14481003      -0.31645499      -0.30773922       0.41147811
Li       3.14439996       4.67775003       9.40391999      -2.55142683      -1.07393031       1.96229756
Li       2.06136997       3.41197003       1.74979004      -0.17162416      -1.21753238      -0.92981514
Li       0.22608604       6.75774998       2.18632995      -0.24836645       0.26111829       0.21281358
Li       6.37591004       9.64656004       2.95398005      -1.43616342       0.15378502       0.48674234
Li       1.30252005       0.79205302       7.68565003       0.24793477       1.64723551       0.04324264
Li       4.45458004       6.71720995       4.85541999       0.51793852       0.49101098       0.39831528
Li       0.05613460       1.50656998       0.12150197       0.88377139       0.10019512      -0.18380440
Li       0.81967399       6.97344005       7.28564995       2.30319141       0.24905295       0.75600522
Li      11.04150000       1.13071002       3.82933004      -1.30400586      -0.18074269       0.36599883
Li       5.04154998       3.75258999       2.93643001       0.31031360      -0.08958687      -0.44848268
Li       6.43838998       4.70368003       6.81542994      -0.17944692      -0.12245193       0.26006133
Li       8.94585005      10.10910003       2.66602997       0.67394708      -0.16117288      -1.09513109
Li      10.61429996       9.24981003       5.83355996       0.16344608      -0.35868968      -0.21332879
Li       8.90538998       3.49199001       1.84603004       0.05264399      -0.35161424      -0.06634942
Li       9.57967003       0.66117995       7.10865994      -0.14390055       0.04928069       0.47061060
Li       2.23167995       9.55792001       4.28765006       5.45100222       1.48716887       1.25041374
Li       3.77376999      11.24660001       1.82385004      -0.03833170       1.09148779      -0.07255375
60
Lattice="11.35711806 0.0 0.0 0.0 11.35711806 0.0 0.0 0.0 11.35711806" Properties=species:S:1:pos:R:3:forces:R:3 energy=-429.97717188 stress="-0.013541408942271842 -0.004982489599688459 0.004757221089766135 -0.004982489599688459 -0.010204429853580348 0.002882669369931178 0.004757221089766135 0.002882669369931178 -0.015166535258682513" free_energy=-429.97717188 pbc="T T T" config_type=melt 
Cl       1.92244004       5.27059999      10.97140001       0.28608305       1.07280641      -0.09161252
Cl       3.54719004       1.54989000       2.07931001      -0.63694851       0.92621310      -1.28721599
Cl       8.90715998       8.76283997       9.68573994      -0.17638025       0.16957987      -0.44768844
Cl      10.32350004       0.11055995       5.59806000       0.13634014       0.02208853      -0.65389300
Cl       4.98728998       4.82327003       5.00563002       0.91200278       0.00178284       0.14825478
Cl       5.56039003       0.43689300      10.86290001      -0.87637192      -0.59884768      -0.27592229
Cl       8.09527005       1.55688996       9.75065996      -1.03789108      -1.85987642      -1.52997578
Cl       7.38550003       6.63376001       2.67862002       0.39135490       1.59207855      -0.61021527
Cl       1.82481005       9.22726002      11.33774532      -0.09842590      -0.01720667       0.59657045
Cl       4.25752996       3.75210004       9.11406998       0.13364684      -0.28155885       0.02421185
Cl       8.33389003       9.97134000       1.31276996       0.30346192       0.34034011       0.76113251
Cl       2.71709998      10.50699995       4.46965003       0.57233940       0.38297657      -1.22802813
Cl       7.52849001       5.86891001       7.01664003       0.41200158      -0.76013925       0.20698274
Cl       5.62989003       8.76967003       4.73655003      -0.51492873      -2.02728914      -1.07808105
Cl       2.20711995       2.11274003       6.70409998      -0.10896963      -0.02885740       0.14436845
Cl       9.64791995       4.20377002       0.91305199       0.95673320      -0.02183169      -0.05674960
Cl       8.89912005       8.15127995       5.39440996      -2.15666004      -0.98489894       2.31827294
Cl       1.47496005       2.03253004      10.73930004      -1.00757045      -2.25596975       1.58485676
Cl       9.14661005       3.87896995       4.15418995      -2.27722353      -4.14415902       2.48355285
Cl      10.98540004       7.67799000       2.73106004       0.66414903      -0.71045001      -1.04852513
Cl       6.43534002       1.31852995       6.62311998      -0.00548426      -0.59603751      -0.56824503
Cl       6.05654005       0.81517895       3.65417999       3.04741645      -0.62591717      -0.43184155
Cl       4.40841995       6.89974996       8.18380004      -0.13181885       0.23233009       0.23234942
Cl       1.66687002       4.88945000       3.23571006      -1.22083958       0.61546777      -1.38941496
Cl       4.84415997       7.90250001       0.71927502       0.25690271      -0.17108092      -0.73947179
Cl       6.13549996       3.84066001       1.68539995      -1.91862200      -1.20763655      -0.55168327
Cl       0.42400506       0.43147997       2.15620996       0.10593339      -0.63079174      -1.20915696
Cl       2.07689004       9.51689004       8.13031005      -0.05354152       0.52183570      -0.58585129
Cl      10.40159999       3.94821998       8.83603001       0.20472884      -0.33575244      -0.01415844
Cl       0.69513501       5.93760002       6.51201999       0.10914255      -0.19834561       0.30576453
K       10.50279998       6.50364003      10.35709996       0.32689667      -0.31580025       0.04321455
K       10.70250002       0.00298192       8.46898000      -0.04561489       0.10555355       0.08093099
K        2.98001999       7.87203999       5.31169005      -0.46750794      -0.86148972       0.55623375
Li       1.61488997       6.81935996       1.62876996      -0.01269724       0.00928316       0.08879891
Li       1.93701997       2.92572002       9.12692999       0.69012526       1.15967734      -2.88043905
Li       5.93243003       1.57476005       1.47746998       0.01986334       0.03066906      -0.02423331
Li       7.75067998       4.91703996       1.70047006       1.23840696      -0.04887808      -0.38443992
Li       3.55758998       1.38330005      11.13290004       0.38611442       0.17180080      -0.08911491
Li       6.02158999      10.15379994       5.98300998       0.56031988       2.33780796       1.46511400
Li       8.57752997       7.71386997       7.64452000       0.11887502       0.16034811      -0.18358543
Li       4.44057002       5.54768006      11.13819803       0.06034838      -0.00716898      -0.06847076
Li       7.01623004       2.67259995       5.06289000       0.06881103       0.24802177      -0.88457215
Li      11.09790002       9.92006000       0.31395504      -0.42870850       0.13546209       0.77028362
Li       2.42379003      11.03699997       1.75849005      -0.00122788      -0.80820320       0.29356141
Li      10.08699999       8.86837997       4.18360000       2.07732542       2.09729058      -1.61183911
Li       1.69813003      11.14880001       6.14540995      -0.52743698       0.51793538       0.95869471
Li       3.16464005       4.12738999       4.30674001       0.07748895      -0.88821257       0.61471797
Li       2.52291995       5.43019998       8.16293996       0.03787268       0.42083246      -0.24539384
Li      10.30690003       1.15023994       3.25589995      -1.17598554       0.42583399       1.51993018
Li       5.67052001       4.71680000       7.12914001      -0.66370437       0.19033613       0.71580045
Li       6.13260003       1.48085996       8.58121001      -0.28423793       0.26038498       2.16976873
Li       6.94639001       9.24969998       3.11413994       0.46584094      -0.03918690      -0.69515526
Li       0.93943605       3.65741995       0.67624597      -0.41867472       0.14510111       0.97025506
Li      10.07620005       4.19822002       6.55389005       0.36376413       0.37614003       0.11920952
Li       9.28095999       2.70395003      10.61469996       1.87037313       2.10663926       0.90273805
Li       9.97156999       5.33607003       3.50765000       2.51974002       4.19985252      -1.95435758
Li       7.04701998       8.79228001       0.00038478      -0.23546788      -0.06788416      -0.09057613
Li       4.18450005       1.15730998       3.98413005      -2.02009182      -0.36409474       1.49750069
Li       3.87717996       8.80531003       9.81303995      -0.53288165      -0.22948491      -0.06240187
Li       7.15910996       6.37432005       4.68705003      -0.33848941       0.11058041       1.39923992
60
Lattice="11.35711806 0.0 0.0 0.0 11.35711806 0.0 0.0 0.0 11.35711806" Properties=species:S:1:pos:R:3:forces:R:3 energy=-426.76389917 stress="-0.006406466582239121 -0.0015242001214451875 -0.008257385395746253 -0.0015242001214451875 -0.02061759215629169 -0.003057961242471277 -0.008257385395746253 -0.003057961242471277 -0.012610124906149175" free_energy=-426.76389917 pbc="T T T" config_type=melt 
Cl       0.69014799       3.16513999       9.12158998       1.93513961      -1.22484652       0.04174264
Cl       0.07300662       9.72208000       4.83123001      -0.33569947       0.14857519      -0.08358930
Cl       1.26419999       6.15379003       3.97606003      -1.92336766       2.68346474       0.51429173
Cl       8.03357001       3.45173005      11.26289998       0.91895227       0.35876262      -0.64813996
Cl       9.36098997       0.28442698      10.04979997       0.03984410      -1.40452413       1.32135340
Cl       0.68040903       4.72636996       0.46537801      -0.27675255       0.27396783       0.90663382
Cl       4.48812999       5.84620997       2.98198000       0.33547356      -0.30377068       0.52675871
Cl       5.02877004       2.45987999       5.22895003       0.39494216       0.05732379      -0.42102755
Cl       1.12894001      10.14679998       9.31988004      -0.67803086       2.67640507      -0.77014307
Cl       7.22459000       6.17027999       7.04489995      -0.93874076       0.42822356       0.14671364
Cl       5.10817004       9.95211002       5.53318996       0.14062619      -1.08686546      -0.07113674
Cl       8.35956995      11.11710002       2.54981997       0.17759689      -0.14341663       0.10730393
Cl       3.30290002       0.13332905       2.70539000      -1.16062568      -4.17931104       1.33642451
Cl       5.82393003       1.97838998       1.25622003      -0.72114388      -1.77368930       0.21525613
Cl       1.22905005       6.54507999       7.47490996      -0.97376248      -0.49114616       0.99240427
Cl       9.71169005       6.68961999       2.55071002      -0.76534574       1.66909501      -0.63417622
Cl       2.15538998       1.00329996       6.51488005      -1.37463361      -0.09905987      -2.95589582
Cl      10.13489999       5.25122997       5.84282998      -0.45000766      -0.64130314       0.65836473
Cl       4.18103000       4.73525997      11.19179999      -0.26085642      -0.31851065      -0.58145556
Cl       1.77256004       2.59988998       3.08134002      -0.16895179       1.30969449       0.27112725
Cl       1.60615998       8.10465001       0.30996403       0.37190549      -0.12106042       1.48779966
Cl       8.29946002      10.13159996       7.13094999       0.43257523      -0.24946995       0.46850360
Cl       8.42399002       4.00801998       3.05281003      -0.84888817      -0.89553711       0.76336139
Cl       9.68282003       1.49996002       5.58110996       1.12117737       1.89857647       0.65259578
Cl       9.88248998       7.07430000      10.22189995      -0.51613521       0.73965956      -0.13283892
Cl       6.09385000       9.02710001       0.68588600       0.67057624       0.11470184      -0.15072513
Cl       4.47729996       1.62909000       9.13449996       1.26281087      -0.03350098       0.69604609
Cl       3.76918001       7.68393999       8.69996004       1.09574345       0.36586601       0.07703178
Cl      11.33510002       1.40272004       0.85089902      -1.18036380      -1.63675431       0.53885438
Cl       7.53006002       2.83280005       7.78014001      -1.02028913       1.72992297      -1.26106528
K        3.29113995      11.06609997       0.22992701       0.17206082      -0.78877393      -2.13110111
K        3.05642000       7.70039998       5.68457001       0.09892767       0.57743077      -0.10293067
K       10.52430002       9.36920003       1.13381006       0.25459356       0.25913899       0.26774091
Li       1.58996995       0.68529100       4.18055005      -0.00346589      -0.52431105       0.32601124
Li       1.64892998       8.26128999       9.61247995       0.66557491      -1.79742637      -1.28589898
Li       7.41820001       7.51328998       1.98632997      -0.25475800       0.10727375      -0.04010139
Li       2.24758002       4.69331995       3.44574996       2.17873185      -2.19474826      -1.09583547
Li       5.76003999       8.00442003       7.67634004       0.16556815       0.06831511      -0.17430229
Li       4.80378996       0.33724701       6.55906004      -0.04067210       0.96149232       0.09794956
Li       8.32390996       1.44431003       8.83928996      -0.40241944      -0.54527815      -0.18137598
Li       5.59607001       3.49331005       9.58332997       0.46854103       0.46749716       0.58101686
Li       8.75627999       9.53101999       9.82529996      -0.08413215      -0.70078822      -0.92444636
Li      11.06463104      11.06880001       6.73218999       0.26311933      -0.14098341       0.29459151
Li       1.52515999       2.60662997       0.69234797       1.25313787       1.48961218       0.36363368
Li       8.52259002       1.95228996       2.17362997       0.13863431       0.42487169      -0.49949463
Li       1.82681004       4.78942002       9.91393000       0.97902249       1.16858765       0.08083011
Li      10.71879998       3.93219997       7.97312004      -1.74067378       1.41901783      -2.43897402
Li       9.83960005       5.38302002       0.42674099      -0.33341309      -0.26236706      -0.22154599
Li      11.03790002       1.72280996      10.12719998      -0.51211665      -0.87628117       0.54049757
Li       2.91442003       0.92588099       8.21500996      -1.02387529      -0.88772507       2.08139883
Li       7.34076003       0.22728194       0.47558295      -0.43762117      -0.11268374       0.30581681
Li      10.45000005       7.24791002       4.91460000       0.52878986       0.08598652      -0.11662156
Li      10.59990004       4.78796995       3.02403995       0.62797006      -0.42088531       0.69565703
Li       5.97728996       3.84716003       2.07346995       0.20782332       1.52150152      -0.00698697
Li       3.97276998       1.80741004       3.01785998       1.65066317       3.17802892       0.69977205
Li       5.05673001       4.53639002       5.97838002       0.51519689       0.33760578       0.13273073
Li       9.35160002       6.57457000       8.08837003      -0.12194245      -0.09747190      -0.73278332
Li       9.25523998      11.09049995       4.92092001      -0.80993951      -2.44723632      -0.92073332
Li       3.18369003       7.25762002       1.55319004       0.35486679      -0.51754480      -0.00047779
Li       7.76175999       2.64553003       5.12003005      -0.06196112       0.39667175       0.39358909
60
Lattice="11.35711806 0.0 0.0 0.0 11.35711806 0.0 0.0 0.0 11.35711806" Properties=species:S:1:pos:R:3:forces:R:3 energy=-424.77160911 stress="-0.020277424041912476 0.00973185147478592 0.0015483822993006193 0.00973185147478592 -0.026692193872262505 -0.0077598575142059645 0.0015483822993006193 -0.0077598575142059645 -0.025805530528435483" free_energy=-424.77160911 pbc="T T T" config_type=melt 
Cl       2.36772005       7.01391001       6.65440997       0.67461054       0.59101171      -1.15184069
Cl       0.99503005       1.31179995       3.86157005      -0.62810134       0.44998831       0.97978980
Cl       4.97095004       7.51379004      10.94900002      -0.50312988      -1.29962943      -1.32728217
Cl      10.06790004      10.08089996       1.66422995       0.32471035       0.45781742      -0.11105255
Cl       0.34218304       2.65416996       7.81847005       1.11743069      -0.96963640      -0.25158834
Cl       8.33271002       5.46647996       1.09220996      -1.22333956       0.92406018       0.47238019
Cl       7.44451003       1.69907994       0.61909195      -0.28842235       1.82274984      -0.40352286
Cl       6.34630999       1.06897999       5.38828995      -0.35509988      -0.15304954       1.33628273
Cl       7.96616994       6.33698999       7.92029002      -1.07986339      -0.64182298       1.18871820
Cl       1.93040002       5.04224003       3.93936995       0.28531030      -0.38788025      -0.86341309
Cl       6.42741003       5.74447995       4.33084004       0.82976791      -1.60454447      -0.38470091
Cl       7.14633003      10.39140005      10.24209995       0.46188122      -1.09126567       0.59126774
Cl       9.25794002       7.52823004       4.27844000       4.05928450      -0.08668489       0.87682001
Cl       2.37261996       0.90916195       1.24140001       0.78741382       0.11325005      -0.68543147
Cl      10.71280002       5.00630997       9.66188000      -0.46110502       0.88656711       1.46426396
Cl       4.91777000       1.41502002       9.06498997      -0.35963590      -0.56437267      -1.26180154
Cl       1.86478995      10.59089998       9.39872002       1.42949910      -1.87017077      -1.20456438
Cl       5.26016996       4.48141998      10.31360004       0.42297718      -0.86246605       1.50479417
Cl       9.40916005       3.37438001       4.54131004      -0.19520265      -0.06304084      -0.59604657
Cl       0.88792095       7.13963001       0.13789699       1.66597865      -1.92914610       0.13565992
Cl       5.31914997       2.37366005       2.60428995      -1.38343745       0.92277957       0.71859838
Cl       8.81249000      10.60339997       7.69026000       1.23385465       0.09521046      -0.29633553
Cl      10.95879997       5.29453001       6.57825005      -2.45283070       1.01203268      -1.75450213
Cl       4.33953005       4.18638000       7.06765995      -0.00317550       0.61380563      -0.59170598
Cl       1.80645002       8.56168997       3.31699999      -2.94943560       2.50718221       0.85643609
Cl      10.28610003       1.91539000      10.82350001       1.10515409       0.33530436       0.08307653
Cl       5.17359998       8.07428005       2.58305998      -0.58097743       0.05662163       1.24278826
Cl       7.30834999      10.59990004       3.24306004       0.77920598      -1.88107370       0.84136081
Cl       6.30099997       8.76978996       6.59230005      -0.71678395       0.24283804      -0.22720676
Cl       2.75943000       0.54331204       6.14808001       0.46116107       0.08699675       1.26006891
K        2.36868995       6.86826996       9.23836001       0.40155686       0.07549806       1.46737743
K        3.50412998      10.21079996       4.16777000       1.97496903       1.12957485      -0.07698341
K        4.49964997       9.93178998      10.00930004      -1.00580465       0.91813124      -0.22173152
Li       2.39970998       7.08481999       2.43728001       1.60414911      -3.28814622      -2.64469045
Li       9.88743998       3.82304001       8.19116002      -0.12252555      -0.28662328      -0.61807417
Li       5.21471002       6.83619995       5.57364004      -0.77155725       0.67014381       0.59821431
Li       1.32915998       7.09214999       4.73365998      -0.61141170      -0.52729391       0.70586273
Li       0.43551197       0.27320002      10.02200002      -2.05869116       1.95221107       1.16544376
Li       1.36897997       5.01561997       7.22358001       2.15600065      -0.79053750       0.55749526
Li       0.39194096       3.35129996       3.92503000      -0.68693387       0.37402439       0.51362715
Li       8.57409001       0.75879495      10.59720000       0.17050098      -1.20299429      -0.87197593
Li       6.37734002       3.14160997       4.88864001       0.01005152       0.70235368      -0.13490463
Li       8.21535999       5.41542006      10.25300005       0.29910599      -0.00815817      -0.36896218
Li       3.09754004       2.41594998       7.38270005      -0.06588362      -0.72097792       0.41812489
Li       8.84950001       5.60940997       4.42704005      -0.71441096      -2.22661036      -0.16487081
Li       6.66378005       0.76851699       2.18775004      -0.46374158       0.01242931       0.45427962
Li       6.04555998       4.15585002       1.57226000       0.58254768       0.74959923      -0.62936691
Li       6.27782997       8.43809000       0.82794197       1.12174214       0.72417855       0.32332811
Li      11.26149998       0.94140605       6.49067997       0.41858086      -0.19463619      -0.27890419
Li       7.73268997       8.51823002       4.00690005      -3.67141206       1.86454955      -0.82203221
Li       7.69284999       8.57249002       8.68505996      -0.17210981       0.77439267      -0.20177904
Li       5.05209994      11.22749995       7.17943001       0.05920640       0.60969964      -0.31497992
Li       8.01326996      10.88520005       5.70266996      -0.54429000       0.15154207      -0.49337503
Li       3.04353001       2.82384996       2.61366003      -0.36137118      -0.57592799       0.03949659
Li       5.32947995       1.78759005      11.06720002       0.03035837       0.52934500       0.44768589
Li       9.74888995       4.03449001       1.09095999       1.05767182      -1.41262888      -0.56842262
Li       9.52191999       6.86775003       6.64281004       0.52277259       0.80571525      -0.51384074
Li      11.15530003       8.46573004       0.88106500      -1.41710987       1.71457868       1.04236535
Li       0.60805295      11.29667911       2.30200004      -0.40867268      -0.43765923      -0.72410597
Li       5.64755001       5.33908001       8.47014001       0.20901249       0.20079473      -0.52561209
60
Lattice="11.35711806 0.0 0.0 0.0 11.35711806 0.0 0.0 0.0 11.35711806" Properties=species:S:1:pos:R:3:forces:R:3 energy=-424.6643457 stress="-0.023607123583612336 0.0009624505812786356 -0.0032614254896509848 0.0009624505812786356 -0.013419475063407441 0.0016750653174928665 -0.0032614254896509848 0.0016750653174928665 -0.021287836850952008" free_energy=-424.6643457 pbc="T T T" config_type=melt 
Cl       8.41990998       1.70536997       1.26704995      -2.55498234      -0.36019298       2.16957362
Cl       5.06067002      10.26770003       5.14523002      -0.31394924      -0.25276621      -0.51405850
Cl       9.17486997       3.98014995       4.58217999       1.48933653      -0.78644901       1.55350827
Cl       1.72160997       0.53865300       0.10449696       0.12930373      -0.13350974      -0.51380347
Cl       7.06017005       6.58788997      10.98170000       0.30350527      -0.11454556      -0.10836730
Cl       8.12930995       9.63235002       2.21690002      -0.78984013      -0.32427190      -0.33235272
Cl       2.73305003       6.70214996       0.74659105      -0.16810672       0.40108508      -0.19587715
Cl       5.72117003       1.03651999      10.76960003      -0.14805329       0.22970869      -0.34971895
Cl       4.25308001       3.22201996       5.80720996       0.25569263      -0.42396768       1.64683191
Cl       9.99584003       6.72694005       7.70967999       0.28719021      -0.50763132      -0.34185235
Cl       0.48143300       6.00571001       4.92117997      -0.27311570      -0.45772788      -1.25419169
Cl       7.80161995       6.41705995       3.72321003      -0.79400079      -0.72337668       1.44810585
Cl       3.32418996       1.52472002       3.09905996      -1.74881476      -1.07829752       2.58121098
Cl       9.43552003       2.58953002       8.77881001      -0.77043278       0.50199521      -1.15280388
Cl       9.50322004       9.44433997       4.65582999      -0.99432585      -0.21619973       2.30473957
Cl       6.77277000       1.76357997       4.19210001      -1.30882273      -2.31326626       1.50452683
Cl       2.39066994       4.29705000       8.80425995      -0.79587569       0.26621645      -0.02849492
Cl       0.65592104       9.53081000       6.87351002       0.07520052      -0.15726893       1.18769494
Cl       0.57461305       1.62812998       7.04412005       1.64719534      -0.54656148      -0.25671686
Cl       3.46673996       9.10668002       9.75748002       0.04591370      -1.32934101      -0.38258517
Cl       3.89014002       6.25797001       4.88919003      -4.48820805       1.84353774      -2.58909342
Cl       1.93993001       9.19930004       4.24766005       1.86263495       0.02040329       0.55954945
Cl       9.08584005       9.24369002       9.82390996       0.52669903       0.86199410      -0.25395980
Cl       4.00413005       3.69261998       1.31261005       2.11383197       0.23701715       0.03190070
Cl       0.03168193       8.96224996       1.74313000      -0.60030302      -0.36876528      -0.73621845
Cl       6.36122995       6.44363004       7.34496000       0.78789885       1.03821509       0.78922147
Cl       3.80856002       0.15182195       7.79016005       0.40643881      -0.07664771      -1.70862988
Cl       7.37242004      11.10150000       7.60444005       0.67504682      -0.63614156      -0.33328778
Cl       0.06016297       4.33324003       1.83962996       0.01433235       0.10857386       0.22733182
Cl       5.21713999       9.28910997       1.26284997      -0.86334323      -0.17443850       0.84615067
K        5.33977995       3.89212002       8.90571002       0.34087392      -0.14280022       0.33499767
K        0.96880896       7.62948999       9.46170001       0.03544356       0.20818058       0.46088453
K       10.35649997       1.90960003      11.20140005       3.24320738       0.23422363      -0.61156654
Li       1.19042995       4.15254998       4.71830005       0.44729060      -1.73241004      -0.55327017
Li       6.10023997       0.57132902       6.14973996      -0.53562870       1.08918073      -0.24532314
Li       6.67083997       9.71431002       4.03914995       0.82082693      -1.21573078      -1.04559334
Li       0.06612716       4.87476002       8.18428998      -0.09896584      -0.78283330       0.13001099
Li      10.24650003       2.40998000       6.39860997      -2.03752637       0.96980721      -0.29617816
Li       7.51871005       0.19315005       2.94576999       0.75649727       1.15503728      -1.34601547
Li       5.43611999       5.83663001       5.61972995       3.86598938      -1.83326056       1.35514607
Li       0.05182332       9.65027996       3.87173002      -0.68555776       0.48813904      -0.75003371
Li       7.81983995       7.28543996       2.01910002      -0.68747228       1.36784820      -2.92082700
Li       9.34718005       9.34549999       0.55978599       0.78095246       0.10166604      -0.02367517
Li       7.62957994       0.60237200       9.58491997       0.08487835       0.26677186       0.58192569
Li       2.18834005       4.33693995       0.81363302      -1.39034144       0.77498242      -0.24693916
Li      10.08189996      10.62710000       6.84910005      -0.18923196      -0.16664042       0.11339420
Li       3.88146000       4.12678999       3.99909998       0.12197459      -0.12587187      -1.61060694
Li       0.54164004       7.37472996       6.23217004      -0.04151743       2.40167332       1.59308141
Li       4.10482998      11.13040000       9.78566998       0.15425818       0.33775011       1.62988536
Li       3.05883998       8.31714998       2.71740003       1.01221277      -0.76417631      -1.15301369
Li      10.13370000       5.74541997       3.53495001       0.14324201      -0.55048488      -0.76626201
Li       4.95698999       7.28219001      10.51950005      -0.45626888       0.58417173       0.93712586
Li       4.83986005       9.19577002       6.94401001      -0.27974309      -0.34008190       1.24242277
Li       1.67724997       9.69463995       0.47503997       0.66795528       0.40265053      -0.15100754
Li       7.55690995       3.35348996       3.46810997       0.62533742       1.41364586      -1.80913217
Li       2.97367999      11.05330005       5.19187995      -0.52977563       0.63702670      -0.32095320
Li       8.50066999       7.22003000       5.55343005       0.46074206       0.29573860       0.92985576
Li       8.15455001       7.63842998       8.78419999      -0.58168490      -0.74745629       0.36235262
Li       2.71218996       1.90425003       8.03700997      -0.89874824       1.05560100      -0.08394411
Li       4.75693004       1.45761001       1.73092996       0.84273400       0.09027199      -1.53507518
60
Lattice="11.35711806 0.0 0.0 0.0 11.35711806 0.0 0.0 0.0 11.35711806" Properties=species:S:1:pos:R:3:forces:R:3 energy=-425.72094161 stress="-0.015965658241366348 0.008800718345870897 0.008113822933896602 0.008800718345870897 -0.011191338393795141 -0.009677099720914866 0.008113822933896602 -0.009677099720914866 -0.017512425887222134" free_energy=-425.72094161 pbc="T T T" config_type=melt 
Cl       0.86276199      10.64519995      10.12919997      -6.79369903       2.78521120       6.78894956
Cl       6.24352000       0.56091103       0.92466100       1.04735017      -0.97235891      -0.17948468
Cl       2.98982005       5.39291002       0.85255001       0.10895052      -0.20390156       0.68331813
Cl       3.18243995       7.82330001       4.43357006       0.89075333       0.19645014       0.78636103
Cl      10.33640003       5.70747005       7.91487995       0.60754037       0.53575094      -0.14377485
Cl       5.06181005       8.43703004       1.09800004       0.37090250      -0.04480135      -0.93039975
Cl       8.29603005      10.44519997       9.41444997       2.19263145      -4.22357999      -0.07853559
Cl       9.51175003       3.09042003       4.47011999      -0.08101221      -0.59306912       0.17997325
Cl       5.01695000      10.83340001       6.04248005      -0.25428720      -0.28094675      -0.85018057
Cl       5.47043996       4.32122999       9.81625004       0.02293564       0.10623096      -0.07961059
Cl       4.92784001       8.47553998       8.73817004      -0.39593200      -0.15303566       0.32482515
Cl       8.66895000       6.59602996      10.73810004       0.75358441       1.32795081      -1.25317059
Cl      10.80279996       0.40730998       2.13378000       0.33066981       0.28752393      -0.02600227
Cl       0.15042503       6.79042997       4.90873995      -0.48666070      -0.88007485      -1.92498761
Cl       2.01518000       1.18211994       7.04540000      -0.00595152       0.33405342      -0.24531169
Cl       6.23779000       5.93309998       2.99024003      -0.85025887      -0.50991639      -0.25547249
Cl       7.39361003       1.27598005       7.00435004       0.51261068       0.27572386      -0.04611249
Cl       3.24463005       4.73173995       6.73978995       0.35353101      -0.48205959      -0.58703100
Cl       7.33606999       8.19458998       6.69375001       0.11585137       0.24541393       0.65248449
Cl       2.30891005       2.93656005       3.22850998      -0.35827828       0.33013878       2.50806732
Cl       3.22776995      10.86789998       1.95034005      -0.61287229       1.14232343      -0.19159177
Cl       1.53533994       8.20902999       1.67916001      -1.59555631      -0.06594717      -0.25962402
Cl       8.50733003       3.92859000       1.06389995      -0.35222804      -0.46268571      -0.34088608
Cl       8.31148005       9.30392999       3.04032004      -0.42177592       0.26247594       0.07397044
Cl      10.89320000       2.43012003       9.05136994      -0.66700778      -0.07223191       0.32390310
Cl       1.93109996       4.64790000       9.64189000      -0.04618188      -1.08756853      -0.71217319
Cl       1.52589003       8.08466000       8.11383996      -1.43226706       2.21457498       1.58476541
Cl      10.59820000      10.63509996       5.86995997       2.27823517      -0.73537000       1.08324760
Cl       4.90688000       0.55171096       9.62110999      -0.54162451       0.04179922      -0.89497815
Cl       5.34556004       2.34439003       3.29502999       0.48073122       0.31737064       1.11376401
K        8.30658002       6.73414001       4.60666003       0.82191125      -0.41206464      -0.30643156
K        7.81376003       4.51321003       7.86620005      -0.12503488      -0.23967705       0.13873540
K        1.57106001       2.77590998       0.82754299      -0.41739920      -0.45718192      -2.03103387
Li       1.11473998       3.42705001       7.78889998      -0.48977099       0.12808162      -0.31341268
Li       9.59984004       2.58864995       2.27092004       0.10790821      -0.53952399       0.52013915
Li       0.79242395       6.10872998       3.16987000       1.00826568      -0.17509471      -1.61975090
Li       7.68926001       0.76149602       9.58430998      -1.82122394       4.77065255       0.93372699
Li       6.83494000       9.82666997       1.14055005       0.16099625      -0.25781748       0.37468575
Li      10.36350004       9.53536000       2.48418003       0.61695887      -0.08545341      -0.02409260
Li       3.58827997       7.02523998       2.09007997       0.31960675       0.78861136       0.39538238
Li       8.95690995      11.34609995       5.23001999      -1.90443106       0.67338983      -0.74447696
Li       6.34218996      10.59280003       8.39538996      -0.98318382      -0.47435859      -0.76782074
Li       3.65769002      10.26419999       4.00607996       0.17728737      -0.57193686       0.19860343
Li       2.44202002       6.76765997       7.14842996       1.50064262      -2.01182382      -1.92931865
Li       7.34884005       5.87953005       0.71805299      -1.09586497      -0.49394035       1.27346976
Li       6.86718001       1.43759002       4.74116000      -0.44632836       0.56405338      -0.29934672
Li       3.88457004      10.29420004      11.19857508       0.87322510      -0.09921867       0.23325936
Li       1.93591004      10.24890002       9.00102997       6.94791612      -2.61555375      -7.92403185
Li       4.20027997       1.45831994       6.48035998      -0.19327637       0.12655355       0.17687419
Li       4.57940999       6.48670997       9.87192002      -0.03887302      -0.05602224       0.46904235
Li       0.64391498       5.89211998      10.32390004      -1.88607134       1.86974570       0.55119689
Li       3.41930003       3.71144996       8.77305002       2.09726394      -0.73900168      -0.41684406
Li       6.37156004       2.58646995       1.18223999       0.14442329       1.18088631       0.32740463
Li      11.25270004       7.52151004       6.58315996      -0.86121639       1.20795502       3.34080993
Li       8.24460003       8.19835997       9.06312002      -0.04763562      -0.52802399      -0.20880883
Li       4.30604995       4.58569002       3.90258004       0.19620702      -0.30733396      -0.32560055
Li       4.95844994       8.58467995       6.37027998       0.16094078      -0.30345932      -0.12779584
Li      10.48079999       0.58438403       7.99584995       0.15405726      -0.44020214      -0.26000749
Li       1.24027997      10.57149998       0.83354205      -0.03770775      -0.34676099       1.29299713
Li       0.93021702       1.41161005       4.51615005      -0.11027681       0.20907554      -0.03185615
60
Lattice="11.35711806 0.0 0.0 0.0 11.35711806 0.0 0.0 0.0 11.35711806" Properties=species:S:1:pos:R:3:forces:R:3 energy=-427.94894428 stress="-0.022418188290667638 -0.004875901182542084 0.004133215729170625 -0.004875901182542084 -0.008823069695612926 0.0006325108897756799 0.004133215729170625 0.0006325108897756799 -0.019901574742788808" free_energy=-427.94894428 pbc="T T T" config_type=melt 
Cl       1.93461999      11.23179999       0.36043597      -0.85732902      -0.23064788       0.24922293
Cl       4.79914001       6.08797996       3.23712004       0.83118704      -1.58881674       2.68061677
Cl       0.78698003       5.26644999      11.26900000       0.14489929       0.54818081      -0.23927607
Cl       1.79071996       9.91677995       5.39068005      -0.81191058       0.56764212       0.24907178
Cl       9.61929001       8.04657005       5.08798003      -0.01274977      -0.67594317      -0.78157672
Cl       4.23333998       7.26419000      10.92310000      -0.26001382       0.00651426       0.31559251
Cl       9.21767995       9.54207002       0.63415705       1.56510535      -0.67356439      -0.21699998
Cl       6.68401003       6.04823004       6.42149002       1.54605249       0.93029198      -1.18555938
Cl       4.62170004       9.07291996       7.30413003       0.45171497       0.32291202      -0.45036920
Cl       1.27792995       4.30563996       5.74221000       0.69493738       0.35555674      -0.30554832
Cl       0.94255801       8.81676005       8.74575001      -1.22940457       0.85740554       3.26228147
Cl       3.62143004       3.92899999       1.14084000      -0.30748613      -0.65461119       0.02670950
Cl       5.37499996      10.76099997      10.45949994       0.19042305       0.32282443       0.32695276
Cl       8.50922996       0.77634000       9.69799995       0.37784343       0.32120536       1.34872594
Cl      10.08630005       5.18564000       2.96649003      -0.50033006      -0.18776773      -1.29212463
Cl       5.44831004      10.05629999       3.79745004      -2.74504960      -1.51056062      -1.30736561
Cl      11.20000005       1.44721995       7.36784005       0.31661081      -0.69434466       0.75168596
Cl       8.92191004       0.18207698       4.64513000       1.28594395       0.42126457      -0.06202508
Cl       7.28748004       7.31547000       1.53091998      -0.15611577      -0.23976083      -0.40155573
Cl       5.16262003       4.60830000       9.62498004       0.50684516      -1.02446480       0.12686730
Cl       3.35400001       6.37096004       7.34129994      -1.01623266      -0.44313582      -0.21991584
Cl       1.93976998       7.10325997       3.39293005      -0.86067984       0.27265000      -0.35262231
Cl       9.52427000       4.23251000       6.36603003       3.98770315       2.34349786       1.91381599
Cl       0.37567598       2.34761999       2.92479998       0.20615052      -0.24386154      -0.17806716
Cl       5.11404996       1.93140002       3.42209002      -1.12986800      -0.87208814       1.02833360
Cl       9.13188998       9.53703995       8.03494002       0.76086799      -1.10018975      -4.32387338
Cl       6.94762998       2.41520995       7.32193004      -0.05559114       0.00407280      -0.25293311
Cl       3.02403995       1.35904999       8.61680004       0.29167326      -0.09527013       0.01104753
Cl       7.95025998       2.80757998       1.69838000       0.88448606      -0.22555026       0.23759464
Cl       8.61411000       5.28471996      10.59649995       1.02357655      -0.26942772       0.00357337
K        0.34940106      10.11749998       2.30705998      -0.37669043      -0.15402459       0.55645482
K        7.46749002       0.11913799       1.19540005      -0.91787653      -0.14460108       0.24865736
K       10.91149995       4.75406997       8.55035999       0.72745215       0.05471265       0.74493671
Li       2.05097003       7.37210999      11.07619997      -0.65364707       0.19304776      -0.20537786
Li      11.27279998      11.20665510       9.58973005       0.32949966      -0.04504303      -0.40469628
Li       1.81286998       8.24480003       7.19530998       1.96915568      -1.06298910      -2.53281312
Li       6.11501001       2.94581996       2.06250000      -2.63662238       1.37227008      -0.18364264
Li       8.49906000       7.47386999       6.92278004      -0.39227483       0.13764503       0.24957258
Li       1.04291995       4.87462998       2.16107002       0.34089399      -0.06013624       0.39854481
Li       0.09882249       2.44295005       5.49867000      -0.01570719       0.24550766      -0.65076460
Li       3.56721002       9.16446004       4.48198000       0.41110547      -0.76552796      -0.13469232
Li       8.22069000       3.56206002       5.44383999      -5.18661843      -2.48066954      -2.68048789
Li       8.76818997       9.77060998       9.78581001      -1.25351310       0.71548361       3.99873168
Li       4.50647003       8.90606005       9.47439000       0.09368624       0.45586014      -0.14498781
Li       3.59359000      10.89020002       7.01938005      -0.40705155       1.06309041       0.35166912
Li      10.69189997       9.96241002       5.39104995      -0.26668323       0.45633219       0.61301284
Li       6.55828003       5.70469006      11.03089995      -0.23261615       0.27921454       0.14090051
Li       9.68076996       3.24411001       0.95201996       1.93618731       0.86507806      -0.68961892
Li       2.66684996       2.07943005       2.59141995       0.54049669       0.22639297      -0.14345356
Li       7.36267995       7.09265004       3.68011999      -0.34351282      -0.21856226       0.85108036
Li       3.53774000       0.74029898      10.77480000       0.60407540       0.24267865      -0.90543578
Li       5.21945003       5.21417999       7.50463995      -0.74215192      -0.67759255       0.47120078
Li       4.97711003       7.13857005       1.68577996       0.30772202       1.63026206      -1.83201940
Li       3.30440994       5.80591003       4.87684996      -0.41782059      -0.11678175       0.43299259
Li       9.07995002       1.34632002       7.70250002      -0.90149485       0.07556044      -0.56571143
Li       9.59269005       6.59834999       1.38774999      -0.57129562       0.32626841      -0.82668592
Li       3.05664998       4.82929998      10.44710001       0.17559710      -0.25860652       0.14589470
Li       7.11673996      10.62159998       4.33668998       2.10195088       0.80180442       1.32582361
Li       6.12013003       2.30615004       9.63288006       0.16171871      -0.11108543      -0.89935111
Li      10.90969996       5.43607002       4.80878005       0.49277590       0.41039780       1.30798662
60
Lattice="11.35711806 0.0 0.0 0.0 11.35711806 0.0 0.0 0.0 11.35711806" Properties=species:S:1:pos:R:3:forces:R:3 energy=-422.88871537 stress="-0.019317401994385665 -0.006603192483683507 0.004781134470789552 -0.006603192483683507 -0.018194406547665437 0.00010848295234342743 0.004781134470789552 0.00010848295234342743 -0.029724819624580557" free_energy=-422.88871537 pbc="T T T" config_type=melt 
Cl       6.18973996       5.42646996       7.50237000       0.27761747      -0.21680864      -0.61428930
Cl       4.26453003       1.49921999       1.62633999      -5.14415198      -2.41951813      -4.16665771
Cl       8.63242005       2.50803997       4.94408001       0.04035833      -1.15037632      -0.09846809
Cl       5.68638000       7.39618004       4.89873001      -0.07576439       0.32715096       0.05441893
Cl       3.18976995       6.13122003       9.29973001      -0.62886422       0.46454796      -0.25973701
Cl       3.59000001       9.81883004       6.97359996       1.17115577       0.29871455       0.36045284
Cl       0.70621604       9.82189998      10.83919997      -1.06188948       0.97691741       0.40325760
Cl       1.51575005       2.10841001       0.03430611      -1.78939430       0.53731687       0.38981560
Cl       3.43098003       3.15074995       8.67952995      -1.63970061      -1.26680306      -1.06761484
Cl       5.97585999       4.14210995       3.81647003       0.03991872      -0.18421159      -0.56070231
Cl       8.42855002       7.55588996       1.92800003       3.22766211       0.04471609      -3.84261696
Cl      11.34000004       3.46058997       8.06499004      -0.96519402       0.60730946       0.79196695
Cl       0.24121701       0.24785400       7.74313000      -1.38133285      -0.01128179       2.00124995
Cl       7.20099002       9.08914996       8.13680996      -0.57657230       1.48858305       0.91514618
Cl       6.35463998       5.82648004      10.77369995       0.24947413      -0.43761576       0.48271819
Cl      10.00129997       4.08389995       1.26056004       0.13306850       0.29003714      -0.44435876
Cl       4.92646001       1.22959997       6.43250994       1.68676471       5.31396390      -6.18375592
Cl       9.88483000       7.24346996       9.76920000       1.92558035       1.80030425      -2.99874635
Cl       6.38344004      10.94860002       3.66658004       0.53599115      -0.28118459      -1.78849089
Cl       5.53094000       1.84972996      10.23460005       1.42783771      -0.79279153      -0.29996943
Cl       1.34807004       8.05524995       6.89050004      -1.48189380      -0.48082626       0.17354414
Cl       0.70831597       2.47130003       4.78863002       2.45756227      -0.15306667      -3.25872445
Cl       9.02664005       7.78590999       5.60721997      -0.67066112      -0.10016281      -1.66212426
Cl       0.98600602       6.39534003       0.95989896      -0.52413608      -1.87966071       3.26509856
Cl      10.26859996       5.14591996       5.22050999      -0.13156786      -0.23095095      -0.53591452
Cl       2.65251000       5.63369001       4.32260000      -0.29568680      -0.06759892       0.65354742
Cl       3.51569005       8.51406003       0.03158199      -0.55716715      -0.32250086       0.09182737
Cl       2.15494001       9.58526999       3.33698000       0.54455483       0.37625827       1.32752593
Cl      10.64519995      10.72920004       4.92040996      -1.60926426      -0.59526624       0.07308948
Cl       8.94357000       0.97134296       1.14723996       0.55792616      -0.25032029      -0.06283968
K        9.19295005      10.66860005      10.16169995      -0.56813095      -1.08769277      -0.72997519
K        3.84960999       5.75886998       1.65981998       0.57401067       0.22448801      -0.43219816
K        5.10372997      10.48670001       0.80587997       1.19487195      -0.23804299      -0.09843183
Li       1.10685996       7.43459004      10.78740004       0.43933078       1.38699433      -2.88978752
Li      10.17090001       6.50686999       3.40307002      -0.06943175       0.29413251      -0.04814194
Li       5.50882997      11.00257302       5.42982997      -0.20944999      -1.36992166       0.85205195
Li      11.02929996       2.24097995       6.34122995      -2.09031958      -0.93043638       1.64166811
Li      10.26370005       8.90272003       6.73409004       1.16913863       0.65130757       0.40514578
Li       1.29172999       9.47160001       8.78736999       0.32361575      -0.16889574      -0.85462253
Li       1.70308003       9.35049997       1.37980001       0.48020308      -0.86701719      -1.01506026
Li       3.71521996       8.26842999       5.14821001      -1.10601327      -0.01458737      -0.39306204
Li       9.54254997       2.85771995      10.14430005       0.17634311       0.71592094       0.31245731
Li      11.35017284       0.76574801       0.38645502      -0.36829023      -0.67525028       0.31784083
Li       9.01979999       2.77018996       2.65177997      -0.60577530      -0.01160338       0.59023422
Li       4.97576001       4.17596995       9.53007997       1.45835947       1.17969476       0.35006676
Li       7.49540002       7.45358005       7.00222001      -0.42847705      -1.25359186      -0.21143272
Li       0.76410804       5.07555001       6.28569001       0.63745573       0.31048259      -0.11527774
Li       0.90949403       0.00498066       3.94011997       0.96680937       0.71026756      -0.62526322
Li       5.20799002       2.25580996       2.77718004       4.60439678       3.56848561       5.77676506
Li       3.45721997       2.29453001      10.95899996       1.54209396      -0.04030535      -0.58767414
Li       1.66080998       4.32854999       9.08896995       0.61357054       0.51169646       0.50927299
Li       8.06210000       4.29703001       6.23410995      -0.21363237       0.26294441      -0.32634357
Li       4.67410996       7.62013003       7.85164999       0.13928606      -0.30599819       0.68617886
Li       0.53528800       3.71098001       2.62560000       0.26472929       0.27320863       0.20395059
Li       9.13342001       6.39296003      11.21735010      -2.04603194      -1.60268262       2.96428109
Li       8.51971997      11.28380003       3.75521996       0.65432937       0.22292577       0.40001827
Li       1.77013996      11.11530003       6.62500003       1.25103129      -0.48628095      -1.33392408
Li       4.50789001       0.48328297       7.86742003      -1.67950259      -3.03929941       7.06519813
Li       4.73739999       5.08388000       5.39549002      -0.00688798       0.11279484       0.10676441
Li       7.40603995       7.52537997       3.37758999      -2.83986382      -0.01861265       4.34065193
60
Lattice="11.35711806 0.0 0.0 0.0 11.35711806 0.0 0.0 0.0 11.35711806" Properties=species:S:1:pos:R:3:forces:R:3 energy=-428.31854012 stress="-0.006878651752200129 0.003373583161699822 0.0034560487140519887 0.003373583161699822 -0.011086132814203153 0.0102760144020696 0.0034560487140519887 0.0102760144020696 -0.022025256030998506" free_energy=-428.31854012 pbc="T T T" config_type=melt 
Cl       2.37765003       6.06306005       2.99504000      -1.60671809      -1.61093966       1.71208192
Cl       3.21981997       9.03520002       8.34239004       0.37666819      -0.61210646      -0.10958261
Cl      11.28089999       1.81981996       3.62446000       0.18997452      -0.33923528       0.24500575
Cl      10.12650004      10.59620001       1.15194999      -0.58432210       0.26220677       0.54173847
Cl       1.66494999       8.30470996       0.34827897       0.02658882      -1.23794721       0.77666228
Cl       5.94286995      11.15590002       2.18630996       0.36581403      -0.02857142       0.20923569
Cl       2.59035999       0.50803705       0.45033404      -0.64644189      -1.46179193      -2.68369934
Cl       5.62595002       3.45399000       8.69010002      -0.14811840      -0.70515475      -1.63841809
Cl       4.05341994       4.60909999      11.28689041      -0.62872207      -0.03547418       2.61252155
Cl       2.60250995       6.03068000       6.44966998      -0.09830526      -0.33057586       0.49949340
Cl      10.68840005       4.42623995       1.09616996       0.61263090      -0.83172495      -1.99416414
Cl       5.83568998       7.20437001       9.24574997      -0.50834299      -1.23874006      -0.89370881
Cl       8.30777002       9.54052999       8.64039003      -0.28299760       0.28593422      -0.39243951
Cl       5.84572002      11.23765208      10.13700004       0.40917975       0.02763592      -0.01775857
Cl      10.65799999       6.60362003       8.91702001       1.39864531      -0.88584426      -1.20956868
Cl       3.68888996       2.20808996       3.86413994      -0.28324878      -0.06176441      -0.01792976
Cl       3.10421996       0.61138399       7.29296996      -1.26725587       0.79805767      -0.88485414
Cl       6.55072005       1.91860997       5.53245005      -0.03533991      -0.07393800       0.46843295
Cl       9.94924996       7.13150002       3.77925003       0.33250947      -0.05710861       0.52227669
Cl       0.17867802       9.85735997       9.46815006       1.81266108       1.17084108      -2.51496882
Cl       6.45896998       7.13950996       1.94050002      -0.58199120       1.05087733      -0.18909789
Cl       3.05073997       9.47502997       3.22465004      -0.36456245       0.08563274       0.35289360
Cl       5.99688996       5.74077003       5.19670002      -0.69485125      -0.06697652       1.83710362
Cl       0.69536499       9.04932998       5.65374997      -0.34492102       0.05697145       0.21810908
Cl      10.83209996       4.60607003       5.13509004      -0.14890767      -1.15353493       0.68920244
Cl       9.07771005       1.27044005       7.72756995       0.76248755       0.57134793       0.29913180
Cl       5.44255005       9.74070999       5.98450003      -2.08290147      -1.02429544       3.94216786
Cl       8.30167000      10.43360004       5.18929995       1.36698846      -0.14492768      -0.29949394
Cl       8.76360999       7.35167001      10.99122102       0.14920084       0.25184308       1.50835880
Cl       7.98818004       3.17162002       2.66605996      -0.01833628       0.29231768      -0.22583826
K        8.81108001       7.03432999       6.92671005      -1.06798303       0.25445942      -0.39106395
K        7.55271997       2.60178003      10.28160000       0.66209616       0.16463825       0.61751002
K        0.55498204       2.49112002       6.98052996       0.04153009      -0.21270271       0.05116328
Li       0.26802094       6.32854995       6.01340003       0.94594592       0.79279755       0.46185817
Li       8.23277999      11.32129998      11.25450002      -0.41871248      -0.87567242       0.14756442
Li       6.37994000       6.76089000      11.18720001       0.58102157      -0.25679964       0.37559377
Li       4.46946003       8.01112005       6.46987997      -1.10155398      -1.72167657       0.30219514
Li       7.22414003       0.11291304       7.03998004       0.70836011      -0.16649992      -0.33221165
Li       7.00315004       5.98705004       3.49617999       0.89200963      -0.98840454      -0.28738472
Li       6.34274998       1.77844996       3.26786001      -0.59335746       0.19815256      -0.01879912
Li       2.24912005       3.89141997       3.99602005      -0.02459886       0.31497648      -0.15253727
Li      10.81850004       6.08670001      11.03950001      -0.16589062       0.39584679       0.22303393
Li       1.84428002       2.18010000       0.72499696      -1.20714322       3.30873344       0.73552962
Li      10.18910002       9.37658999      10.73819999      -1.60363547      -1.41432289       0.74758514
Li       0.91543902       7.83376003       3.65725005       0.50379038       0.11161262      -0.18613799
Li       4.29588999       4.82392999       9.40529000      -0.19853591       1.35179890      -1.61809914
Li       3.68190999      10.92299994       1.64654998       2.17499570      -1.27933586       2.20284417
Li       1.32459999       7.59489996       8.63968997       0.19942193       0.56696776       0.02748856
Li       5.84692001       9.14805002       8.52501000       0.25130490       0.98423957       0.18905065
Li       6.23012996      10.44979994       4.55359004       2.17534046       2.04593262      -4.48375215
Li       9.02519996       8.00292998       2.20776004      -1.10108173       0.72426469      -1.73521511
Li       4.91897998       3.86428997       6.50943000       0.49714064      -0.03414704      -0.65321346
Li       3.37477002       7.13524003       1.73588995       1.05132097       1.26220803      -1.59138664
Li       0.16988193      11.05339999       2.95250998       0.00971837       0.03360372      -0.03743109
Li      10.44179999      10.38490003       7.00985994      -0.45390462      -0.14476386       0.44935925
Li      10.51609996       4.96254998       2.97593994      -0.34007733       0.36670377       1.35572360
Li       3.13440002      10.83590005       5.22009000       0.04749612       0.04894427       0.05345227
Li       2.72861996       9.59002000      10.42080000      -0.24703649       0.75724206      -0.39706727
Li       4.78815995       0.68910995       8.42108998       0.38290552       0.61662323       0.51952534
Li       8.97153997       2.22450997       4.51901999      -0.07795189      -0.15843453       0.06192886
60
Lattice="11.35711806 0.0 0.0 0.0 11.35711806 0.0 0.0 0.0 11.35711806" Properties=species:S:1:pos:R:3:forces:R:3 energy=-425.35852746 stress="-0.0178581787728955 0.002265260248391212 -0.00294108729264014 0.002265260248391212 -0.01634022454835711 0.0005790590050781997 -0.00294108729264014 0.0005790590050781997 -0.020904439264178287" free_energy=-425.35852746 pbc="T T T" config_type=melt 
Cl       0.99154898       4.38556999       0.31636899       0.21130451      -0.35617916       0.17995708
Cl       5.87643001       4.83607995       6.33638000      -0.02666741       1.31891600      -0.29816864
Cl      10.60090004       8.27800994       8.47668001      -0.08665128       1.20183921      -0.86420777
Cl       2.92416000       1.79841997       3.47344997       0.42846525       2.76535958      -0.21960207
Cl       8.79484002       2.60210995       5.76681996       1.94495280       0.96578268      -1.20904425
Cl       2.23776997       7.93037003       6.22802004      -4.76306680      -0.10429489       1.52275769
Cl       3.89622005      10.44990000       3.11313995       0.10564004      -0.25684167       0.27678754
Cl       7.66369002       7.67166000       4.41181005       0.70158287      -0.00150874      -0.21499680
Cl       8.95742000      10.47469997       6.57423996       0.55865315      -0.78053605      -0.93491509
Cl       5.20025003       1.91896999       5.59175998      -2.40468668      -0.20920193      -0.36904643
Cl       8.21538997       9.59996997       1.06083001       0.56937529      -0.25517518      -0.82030013
Cl       5.04670997       7.51996002       1.22077003       3.03622286      -1.06225305      -1.26671760
Cl      10.37629997      11.07899996      10.43040005      -0.05042970       0.26717719      -0.85948705
Cl       8.04518005       4.03978005       2.24539003       0.20735011       2.46284220      -2.66238587
Cl       5.71595995       0.91343801       0.15765804      -1.34762237      -0.43827798      -0.40156733
Cl       7.60786002       0.83460406       2.80654001      -0.20739561      -0.01389094       3.63873123
Cl       4.10251995       4.81362999       9.44081995      -1.44206879       0.65947246      -0.82089007
Cl       0.19078198       2.32247000       7.36398999       0.67582022       0.16480661       0.32869335
Cl       5.30598003       4.49785998       0.53335900       0.02863618      -0.41734598       2.06290698
Cl       7.58165995       1.22641997       8.29478997      -0.30341256      -0.14890444       0.96147707
Cl       9.56411997       5.59964001       7.25981001      -0.30277201      -0.02136625       0.06779055
Cl       3.26143995       6.71998995       3.56071000      -0.31760009      -0.74547609       0.40330896
Cl       0.74257903      10.51180004       5.08462003      -0.54999879       0.36952043      -0.07310326
Cl      10.41360004       6.98003002      11.14349998      -0.62648355      -0.20268735       1.07108555
Cl       2.17685005       8.46794002       0.69717600      -1.30947825      -0.13638627      -0.72603699
Cl      10.72159997       1.18971002       2.15627004       0.37423208      -0.10276525       0.60735857
Cl       0.10880006       5.01323997       4.13962002       0.60625065       0.40880780       0.85494521
Cl       6.69634999       8.14759002       8.67345003       0.52438869      -0.12187481      -0.02475009
Cl       5.37029005       9.79370003       5.81903999      -1.58437462      -0.78858540      -0.90075736
Cl       3.13200003      10.83490005       8.40963996      -0.67281165      -0.59869529       1.39161156
K        4.79758000       9.57508005      10.42699996      -0.01736367       0.35004246      -0.01893343
K        3.26670000       2.40632005      11.26129999      -0.30314689      -0.10361843       0.03621377
K        7.62203995       5.32992004      10.50090005       0.26606944      -0.20460747      -0.48818891
Li       4.59391996       3.98290996       7.78888999       0.87879901      -1.43316702      -1.65107745
Li       6.77304995      10.19869997       7.11082995       1.05286732       0.53382195       1.18296883
Li       3.82227999       8.82839996       1.97376002      -1.06115475      -0.01545079       0.63586112
Li       2.55636996       4.63410996       5.32567997      -0.22391160       0.21262122      -0.87089009
Li       7.54111004       1.11914995       0.92272905       1.27499215       0.63488960      -2.27525951
Li       5.07438999       5.57887000       2.75451998       0.22809098      -0.04005503      -0.33979640
Li      11.09100000       4.06254005       2.32042004      -0.39767092      -0.91206726      -0.94619213
Li       2.17659997       8.93918002       4.47278005       0.64154131       0.48192775      -1.33581690
Li      10.93639998       6.27061002       8.86932999       0.15865537      -0.55113163       0.60175307
Li       1.24920996       0.81300804       3.51736000      -1.72466588      -0.95333778      -0.16884051
Li       9.79211003       8.18410997       5.60638000      -0.40051084       0.17198965       0.36913909
Li       8.26211997       2.88020001       3.68228000       0.33793356      -1.65538688       2.13238483
Li       3.96656002       7.53807996       6.47214004       5.09954856      -0.45014185       0.33327713
Li       7.77073995       7.51275995       1.34303997      -0.13537316      -0.40926821       0.58409275
Li       1.09911997       6.39063000       1.16104999      -0.20039300       0.66022556       0.00368873
Li       3.01289998       0.39690902       6.65690002       0.36778688       0.72149193      -1.76049513
Li       7.08187997       1.73719000       6.01380003       0.19018970      -1.15842583       1.47630238
Li       4.92552997       1.01348003       3.11755003       0.51161161       0.29215348       0.25884601
Li       7.55293995       6.47531004       6.65957996      -0.52612961       0.08445219      -0.26625879
Li       7.14331006      10.14999996       2.75356996      -1.08068306      -0.90686875       1.07477782
Li      10.55129998       4.05935994       6.01394994      -0.11704922      -0.65007489       0.05098507
Li       8.61721003       9.61393002       9.02067994       0.43988549       0.17059914      -0.08935684
Li       0.67626902       9.73018001       7.81436003       0.69633283       0.50401714      -0.24366432
Li       9.63199000      11.32667372       4.15208002       0.21295419       0.51068950       0.38418536
Li      10.28200000       1.43178994       9.19384999      -0.34404001       0.56001922      -1.05757795
Li       3.79025996       6.01225001      11.06640003       0.00866576       0.55342387       1.12991512
Li      10.64319997       9.75301997       0.61276104       0.18881395      -0.82104028       0.55652274
60
Lattice="11.35711806 0.0 0.0 0.0 11.35711806 0.0 0.0 0.0 11.35711806" Properties=species:S:1:pos:R:3:forces:R:3 energy=-426.91072022 stress="-0.024230786591190785 -0.005482950041808525 0.0019061324577780284 -0.005482950041808525 -0.018074196043093328 0.001698027723461336 0.0019061324577780284 0.001698027723461336 -0.011203231726747715" free_energy=-426.91072022 pbc="T T T" config_type=melt 
Cl       1.37465001       0.47324600       3.16212002      -0.11466389       0.44303219      -0.42357752
Cl       6.51604995       6.75792999       3.97232001      -0.01335526      -0.51855877       0.10353838
Cl       1.37922000       6.70922999       8.69770997       0.25392862      -0.91113813      -0.56557366
Cl       0.02148199       9.44185004      10.69870004       0.16134430      -0.38556339      -0.07309317
Cl       2.19122998       9.67490003       6.95194000       0.28053567       0.51805493      -0.31080845
Cl       4.89461999       1.75387997       0.21892901       1.45620300      -0.13413215      -0.07919095
Cl       7.90249001       1.25718005       8.88479998      -1.25303258       0.01004923       0.03355649
Cl       2.63905000       0.63608697       9.92241002       1.77242428      -3.44946344      -2.22249029
Cl       6.71988001       9.63219999       6.18308003      -0.79430639       0.19810406      -0.11030494
Cl       7.56685004       2.27538997       2.48548996       0.10558243       0.98954828       0.55807002
Cl       2.10364002       4.29827998       0.50811905       0.43874810      -0.17664359      -0.29301156
Cl       7.71086999       4.63162002       8.12934004       1.86994896       1.92521185       0.49534151
Cl      10.29079995       7.50271003       4.70487003      -3.79105378       0.54289034      -0.81127526
Cl       0.69497397       2.63749998       6.64136996       0.26016993      -0.43900956       0.82287072
Cl       4.43184003       0.26784695       4.70116999       2.45775304      -0.66626895      -3.02601595
Cl      10.17350000       5.25316000      11.26129999      -1.49354068       1.56999607       0.49733512
Cl      10.17609998       3.32686001       4.43640002      -1.67935206       0.52171417      -0.37865873
Cl      10.19119995      10.34470004       7.78803002       3.19394204       0.96436614      -1.80379968
Cl       4.27336996       3.83626004       8.51316997      -0.40627155      -0.18079562       0.19963817
Cl       4.19148002       6.51491004       6.36231001      -0.04252451       0.56522357       0.54084661
Cl       0.19062502       1.72999004      10.59240003      -2.37885762       1.21874937      -0.53393946
Cl       6.78409997       9.00593000       1.66792998       0.38738300       2.74129309      -0.06946999
Cl       8.23578997       8.04102005       8.21612001       1.76426850      -0.60529666       1.41678552
Cl       5.10739003       7.33359005       9.90132996       0.61062179       1.11823022       0.54970903
Cl       2.40892004       4.24015004       3.82090998       2.16079638       1.43963089       0.07867882
Cl       2.80694001       8.14368999       2.63880003       1.09663828      -0.60408857      -0.14415970
Cl       6.14100997       5.13221998       0.77583597      -0.11385297       0.36921998      -0.02206552
Cl       8.92254002      11.31390002       0.35973501      -0.21116035      -0.37735863      -0.62473948
Cl       8.78396001      11.09109994       4.40953998      -0.64257392      -2.85390730       0.83010209
Cl       6.62124003       2.87505001       5.54335004      -1.55476355      -1.59571032       0.78663668
K        0.04358816       5.62260001       5.83395995       1.38150320      -1.84300716       1.30155957
K        1.65180003       7.08093994       0.18559995      -0.48173267       0.36431962       0.02660618
K        0.76220799       9.09613005       4.40256001       2.18903298       2.25236698      -0.31118922
Li       5.75837004       7.50501996       1.04889005      -1.17200469      -2.11174908      -0.74544596
Li       2.16556005       3.52570998       7.93358001       0.38088971       0.04302594       0.11739751
Li       3.65021999       5.68376002       2.18107001      -0.30015756      -0.38460564       0.04350298
Li      10.82809998       7.71641999       8.91906997      -0.69255442       0.40939993       0.49499414
Li       3.68595005       0.95196897       1.81384998      -0.69094047      -0.24959233       0.74770581
Li       8.33178998       8.48798000       2.94847003       0.62032449      -0.58882109       1.07453990
Li       6.00808002       0.15016302       9.87393000      -0.47018579       0.49243737       0.27537538
Li       7.43459004       0.42496905       1.70832998      -0.69997449      -1.26858817       0.18956057
Li       9.40827999       1.34205997       3.68100005       0.99997773       2.93719594      -1.30420258
Li       9.79185995       1.85137004       7.98791996       0.79125897       0.12558068      -0.31121568
Li       7.57413994       4.50812000       5.05434002       1.31462119       1.89646416      -0.68409202
Li       3.86787996       6.13655003       8.75107003      -0.80434198      -0.57950727      -1.02741682
Li       0.01168193       4.03854996      10.31889996       1.03642055      -0.96430825      -0.06945812
Li       6.34942002       3.28379996       7.95313004      -1.25381224      -1.59450797      -0.52387432
Li       0.97469399      10.36499998       8.71702002       0.55393825       0.34983806       0.41190353
Li       4.58502995       4.85373005       5.05231005       0.01525259      -0.30076616      -0.14253996
Li       7.14803995       6.16859005      10.07239996       0.35456873      -0.47836034      -0.12622045
Li      11.07339999       0.10308197       0.62498198       0.52085250      -0.32715953       0.16866611
Li       6.25675002       7.93759998       7.79718999      -1.50985261      -0.15009430      -0.71059575
Li       7.04360001       2.95504001       0.45095504      -0.26238078       0.42711618      -0.03858929
Li       2.19616998       2.28634005      10.73970003       0.42721440       2.24359111       1.35873405
Li       8.86201998      10.58530001       9.08690001      -1.92577800      -0.14584478       2.57308737
Li       0.84986700       3.07748996       4.14260001      -0.40379686      -1.72439881      -0.02126041
Li       9.22861004       9.40925000       6.23741998      -1.10007194      -0.76244315      -1.09034005
Li       5.02410999       8.85587998       4.49117995       0.04289944      -0.34071132       0.21020343
Li       6.49105998       0.48305196       5.23449004       0.80286144       0.02069571       0.17449201
Li       3.02958995       0.53172096       5.84207995      -3.44501086       0.01505439       2.51717729
60
Lattice="11.35711806 0.0 0.0 0.0 11.35711806 0.0 0.0 0.0 11.35711806" Properties=species:S:1:pos:R:3:forces:R:3 energy=-428.23718962 stress="-0.018342755947422202 -0.0017072896548909623 -0.002195938515344987 -0.0017072896548909623 -0.016397593260898995 -0.00020116194794995228 -0.002195938515344987 -0.00020116194794995228 -0.011243411535368225" free_energy=-428.23718962 pbc="T T T" config_type=melt 
Cl       8.56374004      10.50050005       9.89076000      -0.06075007      -0.53708199       0.08141400
Cl       0.08023475       3.11081004       2.62031996       0.40548049       0.83520451      -0.31786198
Cl       2.16655005       3.17471995       5.86599997      -0.89810182       0.13513840      -1.20904592
Cl       3.82247999       1.39836004       2.51511999       0.11391060       0.72766117       0.56926115
Cl       6.84434006       1.75803997       7.74104994       0.80665055       1.09472822       0.68537933
Cl       2.16093998       6.43910003       0.01475733       0.19674962      -0.64328003      -0.37944674
Cl       2.40525998       8.45330002       5.74778998       0.11756925       0.97821788       0.83908487
Cl       3.63122998       8.57977005       9.78478003       0.32972276       0.45035940      -0.21142595
Cl       8.11702995       3.40152000       4.76948999       0.27915884      -0.08083821       1.32943872
Cl       8.92448004       2.42966995       0.28908193       0.37199951       0.57602691      -1.96995940
Cl       0.85236000       5.66148996       7.58224995       0.01614419      -0.21016993       0.39571614
Cl      10.49289998       1.75077005       7.90564002       0.97027215      -2.94612678       0.28420875
Cl       7.19859003       8.94102998       1.50639996       0.24026600      -0.22144669      -0.03418799
Cl       9.70169999       6.90189997      10.07900003      -1.17402353      -1.80473069       0.08847710
Cl      11.34689995      11.00880002       5.12027002      -0.21276341       0.19788434      -0.17719195
Cl       4.91620998       0.04024804       6.12664004      -0.39285250       2.46511246      -0.39201504
Cl       6.03666997       5.09309005      10.81999997       0.82621779      -0.09040152       0.82361940
Cl       8.46917999       5.63932995       2.58004001      -1.99832983      -0.12234222      -1.32821884
Cl       9.59846004       6.70426999       5.69188002       0.49020265       0.43051824       0.12810492
Cl      11.34073780       9.06350003       8.42305999       0.49238286       0.22862653      -0.77301114
Cl      11.16420003       7.93477001       2.26485000      -0.32385578      -0.01385877      -0.02289206
Cl       4.00039004       9.25430995       2.60174005       2.04476017      -0.17754036       2.05903412
Cl       4.30683995       2.02602003      10.27380005       1.43103748      -0.79499667      -1.05547916
Cl       4.78352000       4.55653005       4.16791003       2.05520852       0.00049621       0.14872681
Cl       4.97952001       5.56968004       7.91120001      -0.64435477       0.02169819      -0.50003422
Cl       1.79784996      10.58350002       1.08183000      -0.83842411       0.36319068      -1.01605783
Cl       5.78655000       7.77571005       5.31913997       1.31463763      -0.29544785      -0.43927863
Cl       2.44780000       0.29763804       8.42288997       1.09222046       0.81881952      -1.76231604
Cl       7.57073996       1.43915004       2.64903995      -1.30074728      -2.29578665       0.60077557
Cl       2.30982998       6.20510001       3.96204000      -3.27789359      -1.90023724      -3.44514293
K        2.45204994       3.33670005       0.15961305      -0.98345471       0.35938861       0.84942490
K        9.62482002       3.93793997       7.46725004      -1.52557604       2.75165925      -0.65997740
K       10.25980001       0.00048188       0.92415698      -0.27102111      -0.14433529       0.34637080
Li       2.96276001       3.87150004       3.67740996      -1.06927033      -0.92163076      -0.21259744
Li       7.79776001       7.51082004       3.26781004      -0.29152147       0.80318385       0.26359574
Li       5.64048997       2.15081000       4.17484003       0.30115662      -0.01170541      -0.35782994
Li       4.90745001       9.57891001       5.62112995      -0.88870695      -1.64992380      -0.72903236
Li       0.56759401       0.08648196       7.87670004      -1.88695767      -0.60636789      -0.66243804
Li       2.98891999       8.61922002       1.06706995      -1.00962422      -0.49066735      -2.07172415
Li       0.08099806       8.64605995       6.01705998      -0.19483325       0.01288246      -0.06149191
Li       3.20703004       2.24294995       7.40592001       0.48834376      -0.54835325       0.76210387
Li       2.33892998       7.23603002       8.01575001       0.38776526       0.72255470       0.18357275
Li      10.36559997       5.23912999       2.77180994       1.45061807      -0.33522656       0.31856500
Li       5.48161002       0.18868194       8.16837003      -0.35770498      -0.33258548       0.76596918
Li       2.74090995      11.00389999      10.23300005       0.51261947      -0.94159006       2.27614048
Li       2.24758002      10.02300001       3.58302004      -0.50569108       0.32002974       0.05576595
Li       1.07630000       5.37885002       5.35915996      -0.79264684      -0.55194757       1.12041429
Li       9.05048999       0.49134595       5.65325003       0.07836372       0.63464594       0.14730697
Li       0.43128701       1.99653002       4.40420998       0.27424852      -0.46621722       0.73816350
Li       7.83399001       6.81824004      11.33952327      -0.37255285       0.04635263       0.44438524
Li       5.93064003       3.77890000       8.84759996      -0.07574282      -0.34502974       0.41852835
Li      10.25980001       6.81757996       7.94552997       0.08364028       0.61064997      -0.27185109
Li       3.80812005       6.94659001       4.74005994       2.63692012       1.50524113       1.05551606
Li       1.31118996       6.47124998       1.88050002      -0.09971271       0.08284511       0.82015562
Li       7.78684003       1.10156004       9.89767001       0.37470013       0.85131057       0.05392621
Li       4.30181000       6.31523998      10.44410003      -0.10852384       0.58858528      -0.44461909
Li      10.87389994       8.46232995      10.51970005       0.69670031       1.06217026       0.56759598
Li       7.75696002       3.39176004       1.82887999      -0.05840015       0.77319890       0.22973798
Li       5.75771996       5.72300000       5.77716005       0.65209142      -0.99727589       0.47581486
Li       6.11006001      11.11921710       1.42639997       0.08227849       0.02876083       0.57883264
60
Lattice="11.35711806 0.0 0.0 0.0 11.35711806 0.0 0.0 0.0 11.35711806" Properties=species:S:1:pos:R:3:forces:R:3 energy=-428.51737749 stress="-0.011859933301555764 -0.0005659614915284626 0.003378704738118721 -0.0005659614915284626 -0.013572239144984035 0.0010851358754267002 0.003378704738118721 0.0010851358754267002 -0.007515353028923689" free_energy=-428.51737749 pbc="T T T" config_type=melt 
Cl      11.00320005       9.10494999      11.12660002       0.77996742      -0.59950445       0.04764559
Cl      10.61580001       7.18936998       3.63376001      -0.35778161       1.05813088       0.06225003
Cl       9.16249003      11.29910000       0.42117395       0.43212386      -0.56648979       0.01353898
Cl       1.67138005       8.67509999       5.60027998       0.18869532      -0.13737121       0.38449382
Cl      10.20289994      11.14489997       7.25938003       0.18064241       0.40722529      -0.43791069
Cl       2.41633998       0.25952003       9.31480999      -0.50760405       0.04081304      -1.29792414
Cl       3.93776996       0.92064797       5.40714004      -0.15074088       0.07377248       0.07066249
Cl       5.60128997       3.99711998       4.11662003      -0.34681009      -0.02500589       0.00010231
Cl       8.33427004       5.33988000       9.37043000       1.39076226       0.84724071      -0.35820638
Cl       5.19453002      10.38120000       1.54728002       1.99288569       0.30754313       2.38163344
Cl       4.67683998       7.61682999       8.45036000      -0.87820066      -0.00824948       0.21410404
Cl       6.79625004       2.00073999      11.01029995      -0.19812796      -0.48975015       0.02523963
Cl       2.82220999       4.68175000       5.65059996       0.92062263       2.35123381       1.15974352
Cl       4.98699004       8.52222001       5.28875003       0.22448192       0.20386783      -0.81408735
Cl      10.95510004       2.73939003      11.09910001      -1.76501376      -0.35673982       0.70366845
Cl       1.96728998      10.42119999       2.75567000       2.16056158      -0.94053704       1.51034099
Cl       6.33731004       5.25741994       0.63569197       0.45385190      -0.34154097      -0.36760766
Cl       1.58944003       2.97697003       8.50238003      -0.15022107       1.80856551      -0.46166251
Cl       7.63509996       6.52762002       4.96253998       0.10784772       0.85028420      -0.84229077
Cl       0.35112200       1.63496004       3.93531000       0.14562950      -0.11696217       0.34779603
Cl       7.34925004       8.39312001      11.33150004      -0.14105348      -2.05300314       0.65661572
Cl      10.81309995       7.42312003       7.51001005      -0.44761415      -2.16288118      -1.75272678
Cl       7.71567996       9.29895001       8.51287003       0.24613307       0.74605140       1.03789040
Cl       0.43667199       5.75487000      10.73950004       0.15156597       0.60388952      -0.14873666
Cl       5.53628001       4.50664005       7.87598000      -0.08679224      -0.63710752      -0.44042365
Cl       3.93942003       6.86582000       2.05419000      -2.29886234       0.21476473       1.87645746
Cl       8.11748003       2.40681999       3.12351002       0.24285281      -0.29826528       0.02761519
Cl      10.19889997       3.61754000       5.95804998      -0.63500051       0.83113733       0.33212802
Cl       8.30750994      10.13239995       4.53199005       0.29477836       0.40382601      -0.07394514
Cl       3.20030004       3.41450005       1.35777004      -0.05095385      -0.34679829       0.17214149
K        0.74923305       5.42317004       2.37907001       0.67672835      -1.29083915      -1.01538190
K        3.38059997      10.21110001      11.18480003      -0.94330038      -1.26593374      -0.33144031
K        3.46174998       5.08730996      10.28189994      -0.11322663      -0.04780382      -0.35028912
Li       2.61277997       8.13061999       3.62285002      -0.04186110       0.01813932      -0.26952170
Li       7.27329000       7.31525001       9.18291002      -0.37652003      -0.39625436       0.17606675
Li       6.09116994       6.03410997       6.18919005      -1.42406321      -0.31758755       1.06250008
Li       6.98034995       3.90938000      10.04400001      -0.65728449       0.00263477       0.01609458
Li       9.48443003       7.07320995       0.03388192       0.46449285      -0.01860358      -0.42421234
Li       5.29364994       7.13949997       0.71937701       2.07124009       0.88726719      -1.65175860
Li       5.89027002       1.96931996       2.45985001       0.16505328       0.05979537      -0.24202601
Li       1.56297999       2.41440996      10.74840004       0.95318678      -0.33634424      -0.29462995
Li       0.54875505      10.57140004       1.48450003      -2.61046286       0.26429598      -1.90340118
Li       4.09830998      10.28260000       3.91295999       0.08676453       0.68595727       0.00794572
Li      11.20069999       8.67496995       8.93121004       0.23270176       1.50473518       1.71213164
Li      10.90119996       4.67084001       8.09383996      -0.08155759      -0.15217489       0.44287945
Li       1.96735994       3.30058998       4.69570994      -1.79857644      -2.90046614      -1.66424785
Li       9.65760995       6.30079997       5.37472001       1.32174431      -0.21756836       0.84143016
Li       7.61184001       9.57734000       6.59113004      -0.10476769       0.12060273      -1.91292557
Li       8.92375001       1.91958998       0.84639502       0.12169248       1.28170229       0.18696159
Li       1.81934001       1.25792996       7.21125004       0.13141027      -0.46874305       0.08220156
Li       8.80505995       0.59479998       8.92100999       0.17429057      -0.35388763       0.75797251
Li       7.14185998       8.72372004       3.26638995      -0.17954094      -0.21314227       0.10689862
Li       9.22292001       1.24334003       5.45016000       0.62439880       0.34797344      -0.53362629
Li       4.92669998       4.75247998       2.14958002      -0.68562472      -0.10114685       0.10493910
Li       3.45898997       8.87537005       6.90293995       0.59023009       0.65946829       0.38080820
Li       4.65784997       3.08748002       5.91080006      -0.05969457       0.00839425       0.67590196
Li      11.11120000      10.04679999       5.08567999      -0.17459039       0.03855227       0.02054619
Li       7.75222001       4.43503001       4.30144998       0.55496987      -0.83612508      -0.29877124
Li       7.33530997      10.30610003       0.59402997      -0.54146197       1.31627906       0.18693213
Li       2.42457003       6.47208995       6.91717995      -0.27499679       0.05268384       0.10147599
60
Lattice="11.35711806 0.0 0.0 0.0 11.35711806 0.0 0.0 0.0 11.35711806" Properties=species:S:1:pos:R:3:forces:R:3 energy=-423.7024625 stress="-0.018713136473698818 0.003258419223089939 0.0019275945734733818 0.003258419223089939 -0.02257679253360879 -0.0059062476677977 0.0019275945734733818 -0.0059062476677977 -0.013089849063911644" free_energy=-423.7024625 pbc="T T T" config_type=melt 
Cl       0.62613098       7.79234005       7.66137999       3.30071280      -1.10326715      -1.70900556
Cl       0.49922098       7.87493004       3.22172002      -2.30469687       2.05265376       0.72812040
Cl       3.01525000       8.85543002       9.14224994       1.16079874       2.83370969      -0.98245340
Cl       0.98873605       7.58029005      11.21359998      -2.01830416       0.23418862       1.05962346
Cl       8.83448999       2.31161997      10.40750002       1.35856128       1.64901858       0.62207672
Cl       7.42202997       3.76899001       2.84673001       0.69813946       0.12644679      -1.35455738
Cl       5.97400003       1.44367006      10.51460002      -0.08849655      -0.04989829       0.64078846
Cl       4.15118997       5.56329995       9.44346002      -0.82125278      -0.07185180      -0.07941059
Cl       9.15005001       4.42294002       6.85307004       0.76402018      -0.00913919       1.79549007
Cl       3.58164004      10.93060001       5.26648996      -0.40166480       1.26686654       1.88273828
Cl       7.91191994       7.62868000       3.45008997       1.67270588      -0.45139189       1.01813559
Cl       9.35013994       7.74384005       7.67463000      -2.77819106       0.39469446      -0.60342105
Cl       0.32326799       4.62749001       2.50523998      -0.44646619      -0.00505039      -0.47671933
Cl       9.12787001       9.89602005      11.28319719      -0.17281332      -1.30454989       0.09523666
Cl      10.49329998       0.66292498       8.52789005      -0.02804874      -0.27868576      -0.49012151
Cl       1.58422995      11.23595408       2.41616997      -2.16530165       3.34616006       1.38037489
Cl       4.00812003       6.04814998       1.51002004      -0.44200466       0.14028686      -0.42023245
Cl      11.13372003      10.03310001       5.98257000       0.17072228      -0.14548390      -1.33418257
Cl       5.38739001       7.55815003       6.22508002       2.33636046      -2.83261001      -2.29064188
Cl       1.95281999       2.33036001       7.12195004       0.00607415      -0.45526293      -0.11857394
Cl       3.97611999       9.00822005       3.34386003       0.49764362      -1.54811847      -1.26552283
Cl       7.19433997      10.89639998       2.90600997      -0.93016097       0.70847444      -0.56082214
Cl       8.04077996       5.88224996       9.85175001      -0.18597309      -0.06503645       0.99240875
Cl       2.09418999       5.15857997       5.41282995      -0.45617326       0.75770852      -1.33037621
Cl       5.93877003      10.13860003       8.05725005       0.90522820      -0.29171272       0.66230329
Cl       6.89063996       1.81077004       6.97680005      -1.37489984      -0.36738658      -1.22012025
Cl       0.50418801       4.42190005       9.56674994       1.55901633       1.92804990       0.78223780
Cl       9.22150003       1.16258002       4.78491999       0.77553085       0.60799090      -0.31844099
Cl       3.43626995       2.67981002       1.14619999      -1.66408669      -0.39783057       0.39931851
Cl       4.60178999       2.78392004       4.69909005       1.37257121       1.02108290      -0.53585758
K        5.45847001       5.57806001       3.83337998      -0.35373845       0.21639413       1.01504472
K       11.16229999       1.81911003       1.78871997      -0.38997663       0.49975309      -0.14523595
K        6.28981003       8.07128995       1.48887002      -1.16842963       0.28493431      -1.04802040
Li       5.51258997      10.41060005       4.36471003      -0.06623187      -0.47824315       0.03404250
Li       9.24417996      10.01649999       7.14001002      -0.16663652       0.49307386       0.32367396
Li       1.93128996       6.59061999       3.12131003       1.96500639      -2.34820360      -0.17512604
Li       2.75100995       7.35966997      10.33400004       1.43561588      -2.33885299       0.57072490
Li      10.26410005       7.03076999       1.39462003       0.81638093      -0.05947656       0.08645182
Li       7.42724005       8.82334002       9.95338997       0.40453578      -0.22963277      -0.91875521
Li       1.95527995       9.31288996       5.13291004      -0.12871785       0.02235652      -0.42736619
Li       4.50659996       1.51023004       6.29463998      -0.29388542      -0.50022940       1.28358830
Li       9.67031005       3.45156003       5.27230004       0.65836933      -1.68733313      -2.32617659
Li       5.27965003       3.24776995       0.56525206       0.74063518       0.34185710      -0.56738918
Li      10.55189998       3.25883996       8.85721002      -1.36578020      -2.15978718      -1.00004705
Li       7.15086004       1.86466002       3.84210997      -0.13779023      -0.51547384       0.62301012
Li       8.88398999       9.72741001       3.39660998       0.61575749      -0.26825825       0.28341417
Li       7.94237996       6.02065996       7.12033994      -1.51427543       1.46728752       0.80188476
Li       2.53212001       5.39974996       7.39166002       0.70001760      -0.17417469       1.38942680
Li       0.76846804       9.27239002       9.00963004       0.05880388       0.97918560       1.23762670
Li       2.56307997       9.82360003       1.92317996       1.99097895      -3.58006971      -1.28961958
Li       8.28570995       3.81100998       0.45641498      -0.24887979       1.03738341       0.33397457
Li       3.16191003       2.16764999       3.42693996      -1.01691805      -0.45894716      -0.92753440
Li       2.11635000       4.50209005      11.18752301       0.64511541       0.17873540       0.30332692
Li      10.95309994       6.12486004       7.94251000      -0.82704377      -1.59318413       1.00080073
Li       8.49011003       0.50085697      11.24289998      -1.09976320      -0.44817206       0.18757907
Li      10.66030004       7.36696998       5.53952996       0.37318119       0.52368955      -0.16564412
Li       8.15633001       2.34657003       8.38719001       0.25739067       0.06079730       0.18996907
Li       4.94531998      11.07000001       9.75076001      -0.53252751       0.03497250      -0.30900963
Li       0.49227303       0.70453802       6.41466996       0.10750657       0.67886666       0.48359438
Li       4.33050001       8.66017004       7.22769004      -1.75825152       2.33069563       2.18339762
60
Lattice="11.35711806 0.0 0.0 0.0 11.35711806 0.0 0.0 0.0 11.35711806" Properties=species:S:1:pos:R:3:forces:R:3 energy=-425.8781554 stress="-0.026511989776002606 -0.0028115576781733054 -0.0055210411668491135 -0.0028115576781733054 -0.026485758679221892 -0.003800784733058564 -0.0055210411668491135 -0.003800784733058564 -0.014807243253964226" free_energy=-425.8781554 pbc="T T T" config_type=melt 
Cl       9.65249005       4.93483997       3.41704995       2.10660002      -1.07951583       1.55420454
Cl       7.64606003       7.11769998       1.35818003      -0.65480280       1.36268832      -1.00347639
Cl       0.56160199       2.53324005       4.61686997       0.75129862       0.36356667       0.26596741
Cl       2.94141998       4.23348001       5.83147002      -0.25326060       3.71123289      -0.77522406
Cl      10.71389996       0.15084899       2.87944998      -0.45738190      -0.29187731      -0.63930606
Cl       0.62264900       3.74628997       8.51194000      -1.06271106       0.04138902      -0.35674666
Cl       1.94679005       2.65064006       1.57528997      -0.63217957      -1.68537691      -1.46594476
Cl       2.74002001      10.47269998       1.36581997      -2.56250616       2.55866005       0.65045144
Cl       2.55630000       8.05428005      10.33560003       2.94812727      -1.17175445       0.14389853
Cl       3.39127997       4.25670997       9.28246004      -0.06607295      -1.61293954       1.63949209
Cl       2.09852001       9.56042005       6.60591996      -0.10310523      -1.70711212      -2.35862276
Cl       5.16568998       1.01059998       9.13528996      -0.60845803       0.36252486       0.36403058
Cl       9.51437000       2.10155997       6.96038005      -0.87916504      -0.37898198       0.87172532
Cl       0.21687405       6.35097004       5.31705004       0.64283475       1.03327480       0.40364068
Cl       5.34887995       4.39835004       2.51612998       0.16342573       0.41137093       0.08565869
Cl       4.38513002       7.81423998       2.70550005      -0.18620633       0.59434740       0.43046947
Cl       7.41138994       1.51464001       0.34009197      -1.87569491      -3.35542464      -1.29076978
Cl       8.47008005       8.73955005       4.32410004       0.80041169      -0.98414341       1.25645469
Cl       1.97024000       5.83701002       2.22337006       0.49913268      -0.04313356      -1.00313572
Cl       0.06218170      10.72559995      10.05350001      -0.60769440       0.47189221      -2.06442093
Cl       8.14661002      10.58159998       8.57703003      -0.12522011       0.26585281      -0.44546391
Cl       7.46126995       2.40053996       3.49111994       0.34176102       0.50626890       0.45465542
Cl      10.76099997       8.13878996       0.46991200      -0.93278645       0.00698387      -0.27764017
Cl       9.09543999       6.57128995       7.97096003      -0.02718955       0.00403826       0.56510689
Cl       3.67499998       1.81792003       6.14329003       2.54353784      -4.08271952      -0.19559402
Cl       6.34264005      10.77950003       3.84815003      -1.23529985       0.62897468       0.18020211
Cl       7.32472003       4.45842999      10.37769996      -0.04789323       0.19820114      -0.42713197
Cl       6.16627002       7.69464998       6.30980003      -2.26536013      -0.99893823      -2.26341908
Cl       5.90052005       8.70398001       9.41704995      -0.22590544       0.22184523       1.01610523
Cl      10.59469996       3.94601000       0.45053301      -0.61225327      -0.39474234      -0.12794840
K        2.69533997      11.03519998       8.48162001       0.27968624       1.06288015       2.10571697
K        4.68314999       6.24294000       8.44858999       1.07426477       1.38522160      -0.50322213
K        2.52816001       0.55296195       4.00262001      -0.44184305      -1.02364348      -0.60043679
Li       8.27277000       0.55658396       4.22034005       0.35998264      -0.35499698      -0.21065020
Li       8.55052002       2.79295996       1.08323999       1.82025595       2.41499515       1.39009459
Li       6.08528003       8.64040002       3.73236001       1.13480010      -0.25403659       0.29928277
Li       4.09244005       9.29997998       0.90462898       2.05719535      -2.33959166      -0.96685156
Li       5.86327994       0.34088401       7.27239994       0.45932301      -0.10678595      -0.85082674
Li       9.52752995       3.90995001       8.81656005      -0.10949120       0.14557997       0.16845193
Li       0.54666397       7.45641001       2.07888003       0.17300413      -0.09393105       0.45945517
Li       0.72844203       0.13899500       0.41748902       0.55015812       0.44875778       1.94947348
Li       9.53918996       6.56222004       5.79012000      -0.87155133       0.41773745      -0.41282204
Li       8.50520000       7.19876005      10.47729995      -0.07583499      -0.29387155       0.06311507
Li       6.56939002      11.17239999      10.30710003       0.64554589      -0.59296444       0.03063920
Li      10.09110002       3.17451995       5.30471995      -0.70564460       0.94555778      -0.93983225
Li       1.09076999       4.43173997      10.71089997       0.44921129      -0.07313914      -0.10512730
Li       1.34008996       5.07193004       4.04779999       0.00012647      -1.02208483       0.56675031
Li       4.63821999       6.22086005       1.24782996       0.06897409      -0.32053109      -0.02296245
Li       4.66489002       3.20272001       4.51278005       0.63756040       0.32857906       0.41487228
Li       8.08764000       5.60263000       2.61501005      -2.11023907      -0.02350144      -0.43302719
Li       0.79037796       8.67283004      10.10719998      -2.44944334       0.46694197      -0.08319270
Li       9.95016000       0.10966694       7.81142001       0.48059757       0.01623039       0.29018969
Li       1.27391998       5.38331996       6.89683004       0.12490902      -0.42225238       0.59957705
Li       3.62533995       3.36212000       2.09476001       1.23071276       0.91890583      -0.06621513
Li       0.09993446       2.69148002       2.49353000      -1.38333533       0.04355181      -0.00786644
Li       7.25915005       8.69121994       7.56268004       1.43708343       0.77072455       1.57971171
Li       2.78357001       2.82181000       7.61530995      -0.86526763       1.34949616       1.22414587
Li       5.90577998       2.55704003      10.51429997       0.17488298       1.06746092      -0.06863432
Li       9.01905996       9.33516002       2.44388997       0.54497316       0.22765204      -1.13721944
Li       3.89209004       8.43490001       5.54393005      -0.06657946      -0.04539422       0.08019215
60
Lattice="11.35711806 0.0 0.0 0.0 11.35711806 0.0 0.0 0.0 11.35711806" Properties=species:S:1:pos:R:3:forces:R:3 energy=-425.1535565 stress="-0.024959389795634696 0.003942401123570308 0.0042167923388038 0.003942401123570308 -0.01813989193993362 0.003931307908397112 0.0042167923388038 0.003931307908397112 -0.009749332599923057" free_energy=-425.1535565 pbc="T T T" config_type=melt 
Cl      10.43089999      10.32819996      10.39289999      -0.70770170      -0.65334151       0.52593301
Cl       1.35144004       8.13242997       0.96887699       1.28546355      -0.25131928      -0.56629865
Cl       9.07164001       5.51419995       4.52849001      -0.63490736      -1.24266355      -0.68246378
Cl       0.64059802       6.63651002       6.16592000       0.21939750       0.09835129      -0.22375534
Cl       3.81086995       6.02131004       2.28150998      -0.39959766       0.87944138      -1.10130177
Cl       8.96420997       1.36666005       4.24439000      -2.35548452      -0.45879764       2.00751919
Cl       0.52441300       2.65005005       4.71370995      -0.51128364      -0.48388288      -0.41465230
Cl       3.18965001       7.91545996       9.02003997       1.06096597       0.18063490      -0.31932854
Cl       4.27615995      11.01839996      10.73890004       2.71756231       0.73320795      -0.23229025
Cl       0.95998698       3.85354000       0.76274200       1.65523713      -0.69277349      -0.62204428
Cl       5.59233999       7.04482999       5.17086996      -1.11326971      -0.25140196       1.11139877
Cl       8.31608002       4.70132002       7.50367005       0.53298199       1.37913967       0.06436127
Cl       9.46992994       8.64827005       6.08163996      -1.11456032       7.72857368       0.70914235
Cl       0.77933305      10.22479999       7.35955004       0.48214687      -0.25432178      -0.51356471
Cl       3.11964996       4.13753996       4.63700000      -0.05271970      -0.26885289       1.09891550
Cl      10.85149996       1.66667002       7.71604997      -0.70549660       0.62694270       0.57631590
Cl       6.80795003       8.56987005       2.40587996      -1.58387849       0.46401265      -1.28532613
Cl       1.46618997       0.41893796       0.01331872      -2.22608486       3.99129961       1.05339070
Cl      10.10089996       6.45632003       0.22930805      -0.57457870       0.09021945      -0.99843911
Cl       3.19752004      10.03090002       5.19770001       0.49728433      -0.34705107      -0.77365785
Cl       9.29920997       2.52818999       1.64194001       3.47381997      -0.92649019      -2.66258076
Cl       5.01224997       4.70307004       8.56444997       0.87716513       0.43452228       1.04289463
Cl       6.21758001       3.13556004       5.36679001      -0.13961487      -0.56586787      -0.37906317
Cl       6.73764004       4.06904995       1.13930997      -1.14797833       0.51384213      -0.72162727
Cl       7.35103004       8.93808996       9.10363994       2.44237605      -4.55163662       0.95385872
Cl       0.48270705      10.19680004       3.32582004       0.42111201       1.66348153      -1.06359912
Cl       8.16241004       1.18814001       9.95908000      -1.03880918       1.05625229      -0.60109922
Cl       5.90061999       0.11773902       7.03676995      -0.17380804      -0.27579471      -0.16499765
Cl       3.18675997       1.62765003       7.88684002      -0.33498832       0.54293718       0.01547078
Cl       9.51561997       8.09242998       3.02400997       1.76376447       0.97463017       0.14438416
K        0.44811202       7.89008997       8.99360003      -0.73830816      -0.28858331       0.26582220
K        5.56956999       7.08066998       0.24112604      -0.38116486       0.10560079      -0.41109203
K        7.88848998      11.10500003       0.94636798       0.01881003      -0.68878801       0.30143073
Li       7.78087004       3.00640996       2.65157997      -1.89977926       0.59894337       2.27990603
Li       4.74495997       5.33537997       4.02452005      -0.08395906      -0.47998510      -0.10327189
Li       2.54903996       0.98361603       5.19717997      -0.58152658       0.69265432      -0.04446056
Li       4.01743003       3.60625000       7.04185999      -0.25666175      -0.26963722      -1.01177811
Li      10.77770004       1.62683005      10.95910002      -0.53361200      -0.48897164      -0.17628934
Li       3.71350004       8.01418000       6.39856000      -0.26821492      -0.16741862       0.51000890
Li       5.34834003       2.07327995      11.06540003       0.21056174      -0.09338354      -0.17134218
Li       7.60292002       3.11634004       8.59629999      -0.40985198      -1.20730896       0.65831101
Li      10.56099998       1.03549001       3.14983003       2.05087689       0.09448210      -0.63240112
Li       2.46906995       8.93790995       2.72262999       0.03147418       0.03119957       0.45501751
Li       0.52841399       4.96840003       4.62998006       0.41849362      -0.24535260       0.09358269
Li       9.48382004       6.96207998       6.04978994       0.87586764      -7.24930550       0.23032560
Li       6.75950999       5.18820001       5.44126000       1.19509258      -0.13229024       0.72640588
Li      10.95890002       9.31345997       1.33266002      -0.78161942       0.00134065      -0.10464391
Li       7.25431998       7.86648999       4.34634001       1.80781976       0.69817607      -0.26914743
Li       9.80686997       2.99875003       6.01515005       0.44975166      -0.19656348       0.07175185
Li       1.85944995       1.94267002       9.80072997       0.06878250      -0.05179507      -0.62960016
Li      10.45720001       4.53186001       1.02218003      -1.26981994      -0.15113164       0.34545621
Li       7.26156003       0.85378498       5.58515003      -0.05016291       0.43240493      -0.24777789
Li       8.55729999       6.82037994       1.71063002      -0.43634757      -0.15155699       0.04660189
Li       3.12497997      10.88920003       7.21760003      -0.17208953      -0.46483883       0.92921637
Li       2.08174997       5.84488005       0.84097404      -0.13658104       0.07072007       0.11230016
Li       6.31515003      10.37480003       8.81261005      -2.54925988       3.46321811      -0.08829447
Li       9.84455005      10.36859996       7.63555004       0.31984828       0.50271884       0.51293976
Li       0.17164296       9.04560995       4.98552997      -0.29417317      -0.85366668       1.53606668
Li       7.18105998       6.34463004       8.98411002      -0.01197179       0.01387002      -0.66000459
Li       2.45998005      10.24970002      11.17559997       0.79320967      -3.65804486      -0.50253490
60
Lattice="11.35711806 0.0 0.0 0.0 11.35711806 0.0 0.0 0.0 11.35711806" Properties=species:S:1:pos:R:3:forces:R:3 energy=-425.69133034 stress="-0.021614648853575384 -0.002091269249907657 0.0008736744387775803 -0.002091269249907657 -0.025015543049172424 -0.0024440450379589014 0.0008736744387775803 -0.0024440450379589014 -0.008716725109262063" free_energy=-425.69133034 pbc="T T T" config_type=melt 
Cl       7.71539001      10.88709998       4.64568002       0.10784923      -0.99985378      -1.15620554
Cl       8.35202996       2.58309996       2.39911998       0.73480616      -0.56323279      -0.22572101
Cl       9.94162002       2.91270998      10.69380001      -1.00057567      -1.14947855      -1.20776705
Cl       6.74978001       3.45509005       4.85035005      -0.63832390       1.50736990       0.96061646
Cl       4.80081996       1.64402995       7.92044005       0.29567332      -1.80218806       0.60385686
Cl       2.59747000       0.01768190       4.93961995       4.83959074      -4.81543049      -1.49088323
Cl      10.45120005       4.02897000       6.14364006       2.69390717       4.72390918       1.70487349
Cl       7.55011998       6.60336995       1.47738003      -2.46620148      -2.79336016       1.64645963
Cl       7.91229995      10.34899995      11.10260005      -0.30126237      -0.38219056      -0.07319869
Cl       0.85117398       8.74589004       4.38038002      -2.28230744       0.81175078       0.12398282
Cl       5.23030005       9.84807995       7.92086004       0.19087781      -1.01350904      -1.08114334
Cl      10.64070004       1.02622998       4.60718995       0.40823869      -0.82202025      -0.21298755
Cl       5.54840998       3.71293002       1.41616005      -2.24855380       0.26520526      -1.04729927
Cl       1.03472000       0.48106503       1.33204003       0.00505912       0.38014630      -0.72571363
Cl       5.02309000       4.91803995       9.26319996       0.31116407       0.05380510      -0.99265238
Cl      11.21750001       4.53260004       1.73815002       0.44712498       1.01628221       1.14824192
Cl       6.15340002       7.85543997       4.31290999      -0.40053566       0.26896724      -0.33026656
Cl       2.48203001       3.48185004       5.25693999       1.18138620      -1.11522073       0.90959857
Cl       9.88737002       6.10966001      10.04839998      -1.45555337       2.64692961      -0.86797610
Cl       3.62191999       8.40041003       2.42774003       0.42586418       0.35054158      -0.88336924
Cl       2.21650002       8.13969001       8.60274004       0.49552051       2.10494514      -0.34533114
Cl      10.71500001       8.71148002       1.45134997      -0.93870134      -0.71732929       0.50036544
Cl       8.64432004       8.48221002       6.74347999      -0.70272799      -0.64427599       0.60410725
Cl       1.62045995       3.58565001       9.90517003       1.41640241      -0.75422449      -0.15126236
Cl      10.68820005      10.00759999       8.47081996      -0.14678590      -2.01927899       0.35746285
Cl       7.91206997       0.98441205       7.44774998       0.74123266       1.15705745       0.02218673
Cl       2.31251003       6.61735999      11.20140005      -0.17400667      -0.09270483       0.97992764
Cl       1.84753996       1.14973001       7.82430000      -1.11911333      -0.47779560       0.39667050
Cl       2.53811998       6.46291999       4.53326999       0.89750488      -1.63196728       0.27341989
Cl       3.94664997      10.71360001      10.78640005       0.01246179       0.70537092       0.93643478
K        8.91173997       7.18391005       4.14482998       0.78841040      -0.24392588      -0.12903908
K        5.45519995       6.51247995       6.53070995      -0.03528450      -0.47247790       1.22124083
K        2.05931001       5.76268995       7.65891004      -0.26759600      -1.38431246      -0.61878801
Li       7.00469995       4.41873005       2.53320995       1.50957426      -0.01484588       0.83551025
Li       0.73379498       8.89096996      11.27550002       1.10761398       0.09462206      -0.87202474
Li       0.11439003       4.96793995       9.84309997       0.98776193      -0.89989418       0.31059012
Li       0.94408395       4.41311998       4.30749003      -1.09847989       0.40022738      -0.33286903
Li       4.87619999       5.91987996       3.44665001      -0.61615141       0.31966711      -0.30233998
Li       9.37131995       4.80665002       0.14733305      -0.61179030      -0.71067406       1.63571532
Li      11.23634011       2.42357004       0.95854304       0.49712845      -0.38582832       0.47143545
Li       7.25701003      10.48980005       8.26093997       0.73088169      -0.11515680       0.56693115
Li       0.92138198      10.91040002       3.26012002      -0.12571445      -0.47545178       0.42008256
Li       9.72360003      10.03259996       5.47371001       0.54599921       0.52827574       0.24966428
Li       8.03702995       1.15146004       0.67430799       0.23673684       0.03333544      -0.22836621
Li       1.45500003       1.27244004       5.31014003      -3.64456084       4.55406330       1.78507461
Li       9.57988002       2.63689999       5.50975001      -2.53055648      -3.37257485      -1.26580049
Li       2.97251997       1.42429004      10.01969998      -0.09456273      -0.02547088      -0.08734505
Li       3.22727001      10.63780000       7.32178001      -0.79690680       0.41892902       0.01304574
Li       5.28235995       9.70466999       1.73418003      -0.19980823       0.11303980      -0.44995654
Li       2.96529003       8.60625996       4.51043003       0.08063191       0.52789792      -0.06194453
Li      10.90430000       0.54678198       8.79575994       0.34650314       2.27271277       0.20886931
Li       7.66144995       1.57617003       4.48839995      -0.06608183       0.36523577      -0.61759219
Li       4.10488995       8.95219005       9.68571996      -0.48241020      -0.78042650      -0.19421705
Li       5.99424001      10.08089996       5.51086005      -0.42567044      -0.48013125       0.45170555
Li       9.36232000       8.09659997       9.15790005       0.28353548       0.74805835      -0.84036943
Li       1.18501998       6.59437000       2.30691994       0.21043435       0.46056966      -0.49510690
Li       3.42700004       2.93748997       7.42943004      -1.76737005       0.88373568      -0.55666511
Li       8.73383003       7.73523998       0.68325899       2.80353067       2.94045628      -1.65343398
Li       4.27355996       5.29336000      11.34389996      -0.25382763      -0.28373126       0.09987125
Li       6.34664002       2.86712001       7.97540998       1.55801448       0.78585590       0.05969418
60
Lattice="11.35711806 0.0 0.0 0.0 11.35711806 0.0 0.0 0.0 11.35711806" Properties=species:S:1:pos:R:3:forces:R:3 energy=-426.84715678 stress="-0.01701542502622942 -0.0048548629214899604 -0.0005426271727557092 -0.0048548629214899604 -0.023537251312012158 -0.0010172821640514105 -0.0005426271727557092 -0.0010172821640514105 -0.0071045939082024084" free_energy=-426.84715678 pbc="T T T" config_type=melt 
Cl       6.97390001       9.69937996       7.65893003       1.25962935      -1.37407651       0.01718067
Cl       6.09078005       3.98451994       7.30897997       0.04651805       1.68329960      -0.66470177
Cl       1.32490004       5.70163999      10.47289998      -0.90490796      -2.40680024       0.03736800
Cl      10.48379997       1.64960005       0.87658099      -0.11054272       0.02055670       0.27011353
Cl       5.79738004       7.51734004       0.02408197      -1.85323794      -0.24653906      -0.20876813
Cl       9.00240998       7.03913996       2.13502996      -0.38286776      -1.92857728      -0.45113238
Cl       3.40648000      10.94199995       6.87296999      -0.46382465       1.90433425      -0.66916462
Cl       7.62152002       6.67280998       5.35356999       3.13962353       1.22403858      -1.00977782
Cl       0.76141595       1.35868997       4.18339001       0.93359536      -0.87129800       1.86420099
Cl       5.36322002       8.27565005       3.00121998       0.66814843       0.54810029       0.62268401
Cl       0.91453897       8.23794998       1.08496003       7.00592579       3.28088321       0.62987700
Cl       9.20062996       4.86148003       8.46326998       0.46214150       0.08097172      -0.21104762
Cl       6.53136003       1.29285003      11.02949996       0.82512467       2.08957763       0.43327164
Cl       1.48653000       4.88789998       6.72160005      -0.16986367      -0.20948848      -0.11731989
Cl       8.05146996       4.15773996       0.67103498      -0.41772959       0.47991477      -0.38239374
Cl       6.36015999       1.09072001       7.03490000      -1.35911259       1.23016596      -1.31211279
Cl       4.69605997       5.20454995       3.68072998      -2.25640615      -1.79624775       2.66264180
Cl       8.32881998       2.88563995       3.65665005       0.21686568       0.09917958       1.14717721
Cl       4.31210999       7.35730996       7.60550001       0.57765897      -0.78020530       0.25326146
Cl       2.29768002       8.76300999       4.52176001       0.56449611      -0.26892146      -0.32186754
Cl       0.38738096       4.66394999       3.26921003       0.30421711       0.47229691       0.04577660
Cl       3.32769999      11.08760002      10.48590002      -0.41878655      -0.24423182       0.28886254
Cl       4.05827000       3.34925000       9.46367001      -1.21871736       0.60287173       1.93593282
Cl       5.48713004       0.36087595       3.38945000      -0.57720898      -0.50147497      -0.14524209
Cl      10.63750005       8.24013997       5.27060999      -0.76387191      -1.81892459      -0.18806585
Cl       9.32764002       9.84112996       2.79545001       0.41909812       1.94069869      -0.14383089
Cl       9.69242997       7.75533004      10.17749998      -0.39412965      -0.04106254       0.11692888
Cl       1.23410000       8.53737994       8.53209002       0.10323533       0.86587052      -0.12248491
Cl       2.98955997       2.71701003       1.77421001      -0.93964120       0.29816939      -0.12098374
Cl      10.09270001       1.51964997       8.22951005      -0.32796851      -0.53768001       0.00256313
K        6.09979999      10.27210000      10.45990005      -0.25761183      -1.76377294      -0.46282401
K       11.22375108      10.36000000       6.59418999       1.02230857       1.73044750       0.38145083
K        0.26230298      11.23830000      10.59500002       0.49152623      -1.08475425      -0.69461862
Li       8.27759995       8.14333996       3.75565005      -0.34898650       0.68307456       0.23891575
Li      11.03439999       0.10298192       2.83317995      -0.78350887      -1.14326782      -0.37286683
Li       5.90801995       6.17910004       2.62475003       1.88502398       1.16708939      -1.65635993
Li       4.58106995       2.33161997       7.80209002       0.41911481      -0.75745174      -0.85518165
Li       7.76434998       7.54075002       0.07238198       2.12044575      -0.00741928       0.45724865
Li      11.22184502       2.37580995       2.72967004      -0.39511552       2.34457015      -0.59229328
Li       3.21772004       6.71705004       5.71230001      -0.40810160       0.02621983      -0.34318193
Li       9.26517996       5.33167006      10.74279996       0.50893466       0.01574598      -0.40848373
Li       5.32136994       6.16850999       9.79984003      -0.25409222      -0.88371067      -1.00744617
Li       2.20412996       7.41559003      10.13549999       0.58496141       1.37685242       0.11204253
Li       2.21408005       3.37506996       4.71010998      -0.33967560       0.30188281      -0.56236377
Li       3.67701995       9.09001004       2.00631997      -0.52498198       0.30584452       0.04888481
Li       8.37524005       2.09557000       1.65506998      -0.65868224      -0.05083790      -0.64804755
Li       4.31383003       1.88021996       0.39898101       0.88412803      -0.51403251      -0.68008536
Li       1.02011997       7.36140000       3.20167005      -0.09617561      -0.16481354       0.40857913
Li       3.45504996       9.32434997       7.99979996      -0.23721041      -0.72050059       0.98817113
Li       9.78832005       5.35623005       4.06141002      -0.67605205      -0.10921570      -0.18864346
Li       4.35091999      10.42950000       4.97177003       0.21064950      -0.19150834      -0.54036477
Li       7.91188996       0.36448297       7.90877005       1.64463269      -1.10462840       0.84145393
Li      10.71409995       7.56164995       0.99274897      -6.06007058      -2.39969665      -1.09153795
Li      10.86649999       3.55653002       7.56091004       0.17933278       0.32412757      -0.14173723
Li       8.72879997       8.49066005       6.44229001      -0.81838624      -0.35633585       0.31208625
Li       0.05098199       6.74741001       8.13990000      -0.19074517      -0.75928332       0.12221322
Li       7.77801997       2.91635005       8.39268004      -0.12895799       0.32914375       0.12165048
Li       2.03879996       3.22464005      10.62940004       0.41776971       0.67250665       0.52148719
Li       6.18057999       1.84235998       4.71422000       0.77935919       0.60013191       0.23200373
Li       6.01788996       5.98622995       5.99343002      -2.93729374      -1.66180906       1.20090214
60
Lattice="11.35711806 0.0 0.0 0.0 11.35711806 0.0 0.0 0.0 11.35711806" Properties=species:S:1:pos:R:3:forces:R:3 energy=-425.94153313 stress="-0.01729878944692188 -0.005513960786413692 0.0011296652107532737 -0.005513960786413692 -0.014096990566946613 -0.005694379047576226 0.0011296652107532737 -0.005694379047576226 -0.019395534191781912" free_energy=-425.94153313 pbc="T T T" config_type=melt 
Cl       3.18829999       5.54392005       3.68684000       0.91813476       1.19537241       0.70829219
Cl       9.56195996       3.72808996      10.97930002      -0.63339556       0.07944854      -0.17389161
Cl       4.75024001       2.11266995       5.21193003      -0.14133870      -1.14894862       0.50777712
Cl       2.40853003       9.21725996       1.45301004      -0.40305246       0.25958008       0.69127818
Cl       5.47502005       9.50643002       6.24923002       0.52292736      -0.16138094      -0.22119087
Cl       6.34960003       5.83368999       7.56907001      -0.37315721       0.23143110      -1.10937237
Cl       1.30172005       1.83804996       0.62512599       1.01376094      -0.04772001       0.13958423
Cl       2.05948003       7.38390004       6.74027001       3.57310734       1.43096451       3.33331036
Cl       5.58834001       3.90946995       9.95258997       1.29847500       0.94508638       0.00811264
Cl      10.83220001       1.00067999       8.75611997       1.08833067       0.87359256       0.01575436
Cl       8.97469997       8.15398999       4.19456996      -0.06395548       0.41956767      -0.39616590
Cl       4.47355995       8.06234997       9.84268998      -0.01715331      -0.34357943      -0.21515891
Cl       5.48490995      11.04420004       1.43481003       0.29986589       0.20723644      -0.37043396
Cl       7.40049994       4.48271003       4.50922005      -1.00473981       0.10030707      -3.83856460
Cl      10.42779996      10.48910000       0.17415300      -1.13497813      -0.08110110       2.30941293
Cl       8.95515005       1.48141998       2.33207005      -0.41895344       0.78239634       2.85832942
Cl       2.64301000       3.56511997       7.08963995      -1.29068061       0.61309143       0.55923889
Cl       2.60182001      10.79409995       7.48715998       0.57151703       1.41905746      -0.71709640
Cl       1.57657003       9.57530003       9.88625997      -2.01970119      -1.38794570       0.04739261
Cl       8.01031994       7.84299995      10.68290002      -0.10692408       0.04945832       0.02631197
Cl       6.18177998       0.74897899       9.29891003       0.09974931      -0.66862495       0.03987713
Cl       1.79303999       5.84693001       0.00028188      -0.28322825      -0.42018555      -0.35200230
Cl       0.52340903      10.28000001       4.70528002      -0.42219280       1.28267535      -1.39311512
Cl      11.16360004       3.71377999       4.47153997      -0.63584460      -0.60155423       0.76476582
Cl       9.98647995       5.87732995       2.05674001       0.40382821       4.20279109      -0.70229276
Cl       5.74698998       7.54032004       1.71357004      -0.25812316      -0.02100097       0.05533249
Cl       5.00743001       2.94097001       2.09713001       0.07448996       0.56963120      -0.55712605
Cl       9.81021998       9.25461999       7.88640004       0.34303386       0.68336188      -0.20310193
Cl       9.55045997       6.20108004       7.90289001       0.93703206      -0.90064778      -2.00936115
Cl       7.93189995       0.97212104       5.86728003       2.99907871       1.29456524       0.20476018
K        3.40838004      11.09639997       3.86169998       0.04106890      -0.62560937      -0.46298577
K        0.51371096       6.42128003       5.30725997      -3.28769882      -2.20542174      -3.02303788
K        1.75181002       3.66506999       2.59154000       0.31412073      -0.40706997      -0.72498115
Li       7.96531998       4.58338998       6.25842997       1.08066593       0.77027063       3.83036143
Li      11.23924401       6.90362001       0.78012498       0.74274121       0.70210857      -0.48197400
Li       6.23757001       0.24678188       5.53081996      -2.89782119      -1.78688763       0.09379843
Li       0.40911394       2.17206995       6.10686003       0.07259811      -0.00805659       0.33517274
Li       8.84190005       6.06278998       9.73717997       0.24815089      -0.77136035       1.24116258
Li       2.17350004       7.41042005       9.52137996       0.16035349       0.00341968      -0.40639090
Li       6.63331004       2.39178998       4.20285997       0.64420885       0.22226207      -0.99339700
Li       3.96462000       3.00443995      10.56619995      -1.45631742      -0.58675317       0.84646953
Li       6.25475004       1.97003000      11.29839994      -0.10657109      -0.26202160       0.53694846
Li       9.67274002       4.17627000       2.55100996      -1.15671375      -4.67005062       1.34550483
Li       4.66183995       7.26781996       6.74081004      -0.06168385       0.46483860       0.08222835
Li       9.18930998       0.97575498       0.51797306       0.48419689      -0.48469471      -2.44152711
Li       3.39698000      10.29199994       9.85955995       2.07678025       0.42778946      -0.45429868
Li       0.63219795       8.93522002       6.17286998      -0.08110907       0.31567748       1.87739051
Li       3.38099996       1.61601001       7.16034005       0.55989062      -1.25971589       0.13901029
Li       8.98624005       1.10844995       7.88132000      -1.22362301      -0.35223837      -0.12297651
Li       0.28158191       3.28375998      10.97100001      -0.42714361       0.73006573      -0.97985653
Li       3.23441001       7.27288001       1.02227998       0.80265417       0.22100623       0.31447071
Li       6.39036004       6.30391000       9.65500997      -0.88729180       0.11397713       0.68824089
Li      10.88239995      10.22819997       9.63638997      -0.20372932      -0.27629056      -2.19902876
Li       6.28861003       9.37306997       9.78205001       0.37390511       0.59927508       0.17724043
Li       3.71214002       4.00213994       5.26036995       0.16948429       0.66922285      -0.20635106
Li       9.73020000      10.32576806       3.75094003       0.20344806       0.26364893      -0.03574108
Li       5.73340005       5.69287002       2.71177996      -0.28589047      -1.08718370       0.49465485
Li       7.95412004       8.01060001       1.81262001      -0.08987392      -0.08404866       0.04594285
Li       8.51112001       8.65323004       6.30052002      -0.66815218      -0.25846619       0.13303830
Li       1.16823995      11.26349997      11.29617508      -0.07656029      -1.23461906       0.34025467
60
Lattice="11.35711806 0.0 0.0 0.0 11.35711806 0.0 0.0 0.0 11.35711806" Properties=species:S:1:pos:R:3:forces:R:3 energy=-430.18061379 stress="-0.012162802719134523 -0.0008372559820091466 0.0017519130185525175 -0.0008372559820091466 -0.011923519992734125 -0.00036342110628805903 0.0017519130185525175 -0.00036342110628805903 -0.01372783034932674" free_energy=-430.18061379 pbc="T T T" config_type=melt 
Cl       2.67060996       7.11859004       9.74414994       0.30391383      -0.42935782       0.37466366
Cl       9.82629995       2.28809995       2.90508004      -0.60677033      -0.23140042       0.15678665
Cl       5.72390005       9.72887996       5.30207999      -0.33623184      -0.10304708      -0.05377331
Cl       7.37058995       2.00110001      11.00580004       0.62665048      -0.45596019       0.75107313
Cl       2.41517997       4.15878004       2.16336995      -0.74134534      -0.00109748       0.83210564
Cl      10.07760004       6.15671005       1.25627000       0.15522089       0.33504901      -0.06337130
Cl       2.35217000      10.63389996      11.03180000       0.35963561       1.07120926      -2.53543699
Cl       1.79074994       6.53588005       5.99280004       0.29103624      -0.07093069      -0.40468858
Cl      10.02089997       9.60388000       5.51456997      -0.13420754      -2.13415336       0.12209772
Cl       7.28989002       3.97791998       7.59217005      -0.25478911       0.03678123      -0.39101750
Cl      10.31150000       9.83431001      10.62610001      -0.02348132      -0.20564097       0.03077261
Cl       1.24439999       3.65547005      10.29540004      -1.00910090       0.02675822       0.50137724
Cl       4.79642998       0.27857205       1.41264002      -0.48000858       0.57208220       3.57755512
Cl       5.83309999       2.41177999       4.36483996       2.50303638       1.49069356       0.06027100
Cl       7.21376996       5.56492005      10.92509999       0.13102949       0.93897226      -1.12711392
Cl       5.86927003       6.20836995       5.49158998      -0.48638782       0.46772424       0.45821847
Cl       8.15929001       9.98053995       2.38219004       0.02683653       0.43672582      -0.02081544
Cl       4.79575003       0.21697604       8.39703004      -0.46585591      -4.10211289       1.86198756
Cl       7.02504998       5.06575994       2.75307002       0.03171967       0.28570218      -2.09435098
Cl       1.10445997       8.06164003       2.82614001       0.06387864       0.24609351      -1.21323421
Cl      10.57249997       2.86557999       7.87466996      -0.63029562      -0.56893317      -0.34509108
Cl       6.00210004       8.87961000      11.11410004       0.10379537       0.35175799      -0.94299617
Cl       4.50529003       3.71898995      10.19729998       1.83400139      -1.40056670       0.92255267
Cl      10.57280003       6.63909002       8.66125998       1.06519486      -1.65190091       1.66568375
Cl       2.44983996      11.27319997       3.99412000       0.03566484      -0.25140117       0.12366636
Cl       9.17032996       6.75625005       4.47531996      -0.55963891       1.67143454       0.44322458
Cl       3.85996995       7.32042000       1.52177000      -0.43968387       1.60693999       0.05083411
Cl       7.86996005       8.40559001       8.03151005      -1.49157174      -0.09831659       0.46328062
Cl       3.39814001       3.14711000       6.92739000      -0.59748872       0.29539836      -0.07164772
Cl       1.50242997       9.72425000       7.43366000       0.59237672      -0.67142294      -0.93684537
K       10.55049999       1.40434002       0.36377905       0.25139665      -0.25441292      -0.73057476
K       10.45189999       0.72828201       5.50596002       0.61472317       1.89780609       0.08002929
K       10.58459996       4.77674003       4.05395998       1.77237045      -1.85364507      -0.30293214
Li       7.74788000       1.11443004       2.42123002      -0.20521543       0.26954876      -0.16738034
Li       1.38860995       7.35851995       8.10899002      -0.57996121       0.50928641      -0.64690914
Li       2.95805998       4.74008005       9.72458004      -0.83615148       1.40384886      -0.29844344
Li       0.24938198       7.83248996       4.62590001      -1.04334679       0.27950298       1.73076240
Li       5.56696001       9.24547002       8.54574003       0.46950721       0.41762410       0.08666589
Li       5.55327003       6.35084000       1.16620998       1.97545381      -1.20506404      -0.44800902
Li       0.72972800      10.48679996       9.17315005      -0.25652436       0.14631695       1.15605739
Li       2.59274999       6.18253001       2.58092995      -0.83249985      -0.02446934       0.79434466
Li       9.56818003       8.25148006       2.47203995       0.26526336      -0.35906585       0.27339430
Li       3.10408004       8.95018995       5.51139997      -0.02795987       0.64245180      -0.06921157
Li       7.46119000       8.00622002       5.04527999      -0.48704865       0.33423727       0.48955998
Li       5.37541995       0.14408196      10.97870002       1.15549227      -0.11148732      -3.02429215
Li       6.07185001      10.09490000       3.12806002      -0.54582594       0.02045813      -0.39795039
Li       3.97664003       5.17999995       6.12640995      -0.00046407      -0.10798459      -0.08552887
Li       7.27684001       6.11998000       8.55091002      -0.03810562      -0.40085534      -0.00577179
Li       1.27610998       3.48878004       8.00381004       0.23709810      -0.28365135      -0.04373384
Li       9.83537997       7.99797998       7.48387005      -0.10282612       1.73656007      -1.82298727
Li       8.72391005       7.88096998      10.66250002      -0.25331910       0.14238612      -0.22906309
Li       3.70945997       8.66083000      11.05120000       0.27249365       0.08999116      -0.10061539
Li       3.25007000       2.60353005       1.10467996       0.87972505      -0.63852781      -0.98831421
Li       4.44681995       1.14251994       4.34248994      -2.54523762      -2.09147472      -0.07108559
Li       0.14878199       6.18493999      10.96010002       0.52550985      -0.30632806      -0.70639974
Li       5.17486005       1.86154000       7.70445004       0.80035934       3.99507022      -1.28485704
Li       1.87697000       9.74922998       1.28352004      -0.75102796      -1.07753601       2.97188701
Li       8.52422999       4.52667003       0.94327203      -0.51910623      -0.26225645       0.51548042
Li       7.12999997       4.47191998       4.66345005      -0.39490213      -0.55475298       1.53661015
Li       8.22783999       2.85380004       9.20692998       0.33299613       0.18934291      -0.40650006
60
Lattice="11.35711806 0.0 0.0 0.0 11.35711806 0.0 0.0 0.0 11.35711806" Properties=species:S:1:pos:R:3:forces:R:3 energy=-426.58250453 stress="-0.013721509654174579 -0.001628646633663324 -0.004242385977774468 -0.001628646633663324 -0.02490823165305796 -0.010891307290008362 -0.004242385977774468 -0.010891307290008362 -0.014305506523092064" free_energy=-426.58250453 pbc="T T T" config_type=melt 
Cl       9.71017001       1.66909000      10.31300005       0.09319065       0.23855345       1.58967748
Cl       5.04790996      10.60530001       4.37129001       0.89070992      -1.74698997       0.28631461
Cl       5.23561995       6.88505998       9.77759995      -0.11883340      -0.05810455      -0.30066672
Cl       2.28809995       1.74126005       2.95597004       3.13335214       1.26020800      -1.54881791
Cl       0.77221305       4.42352003       5.13333003      -0.43273733       1.07614073       1.89236070
Cl       1.59110998       0.56150001      10.01869998      -0.65312872       0.62592922      -0.56676671
Cl       8.03984005       4.24975998       8.59272000      -2.30160967       1.16513676      -0.05426496
Cl       2.14094997       6.10196999      10.86079996      -0.52153937       0.16750295       0.21016902
Cl       2.10151999       0.82798104       6.54066003       0.75660152       0.41364348      -0.54854304
Cl      10.89260001       1.09097998       4.28319000      -1.90989641       0.45018018       1.07970288
Cl       4.06591005       4.20436002       7.02952002      -0.39797633      -0.18650451       0.07168457
Cl       8.79967997       9.40467001       3.59711002       0.24799356       0.60323379       0.37291709
Cl       0.79115797       9.23145000       5.84158001      -0.33567686      -0.64846225      -1.23262650
Cl       0.73372695       4.17920003       8.87205002      -1.29463834      -1.52684758      -0.12914178
Cl       6.61839996       1.31560004       0.14114501       0.46221380       0.14591390       0.74778480
Cl       7.38887003       3.54340005       5.06672996       2.00795344      -2.14588913      -0.08808412
Cl       9.91177998       7.07976005       1.67447997       0.35818645      -0.77472003      -0.09726187
Cl       4.22387995       3.87841005      11.12420004       0.42242765      -0.88197023       0.15056712
Cl       4.62434999       6.82186000       5.06624001       1.52013211       0.72414658      -0.12266790
Cl       6.50104004       5.58178003       1.78779005      -3.91859372      -2.85554679      -2.35026526
Cl       2.12649997       6.08694998       2.92451003      -0.27698387       0.57405377      -1.19216390
Cl       7.45493995       8.96026996       7.02167998      -0.41259904      -1.83323029       0.51660927
Cl      10.69449995       3.99540994       1.53307000       0.43453847      -2.71966472      -2.30404161
Cl       9.18750999       0.59009598       7.80688000      -0.53269173      -0.87358979      -2.02172997
Cl       3.83890999       8.78128995       1.11928998      -0.21114569       0.36889604      -1.14573071
Cl       0.98582704       8.70702996       9.15645997       0.32564159       0.31846540      -0.14580794
Cl       0.37801804      10.39780001       1.69549995       0.48568657       0.24561117       0.10957417
Cl       9.50431998       6.13919000       4.72738994      -0.51646134       0.36803734       0.28428066
Cl       9.38208002       8.86649003      10.67149997      -1.32789116       0.78200035      -1.37886689
Cl       5.45585003      10.61209997       9.52074998       1.49031368      -1.55913702      -2.41636730
K        8.78312004       1.48342996       2.14107002       0.29053508      -0.03947180      -0.04380154
K        4.24504996       8.80383997       7.18264998      -0.14204133       0.12056516       0.33690475
K        4.00953002       0.38131001      11.22320003      -0.27537215       1.19802534       1.88422179
Li       6.88711005       8.13049995      10.29030001       0.51449842       0.43836163       0.00786337
Li      10.13909997       9.14105994       1.24538999      -0.73743410      -0.08080718       0.81293690
Li       9.69321997      10.69930004       5.56144999       0.19082401      -0.19923537      -0.19415804
Li       6.77742005       3.48707999       0.13928199      -0.30376793       0.67984857      -0.27399851
Li       1.13387002      10.50299998       7.41585000      -0.14702369      -0.00966786       1.53602650
Li       1.18996998       0.21566100       3.39468995      -0.56773298      -2.01335303       0.46184419
Li       5.85598004       4.66988000       4.91912002      -2.05589492       1.73846924       0.16655164
Li       0.06901550       8.23335001       4.03615996      -0.55288968      -0.56519205      -0.42981237
Li      11.19559701       6.25566996      11.10500003       0.13381104       0.06204533       0.21573422
Li       1.88139996       5.80086997       8.45083995       0.66282908       1.14656579       0.16342902
Li       9.76889994       2.93920001       5.81205003      -0.15364782       0.24512630      -0.35134837
Li       4.86772997       4.74272001       9.08185994       0.30308533      -0.02071323      -0.03570771
Li       2.04217996       2.42890005       8.01672002       0.10320882       0.32483301       0.23443882
Li       2.93977002       5.70637999       4.79706995      -1.02998722      -0.95323915       0.52766289
Li       7.25528999      10.77260002       7.29444002      -0.45862384       3.37580271       0.48126673
Li       4.10326997       9.21647995       3.07939000       0.00542335      -0.59963137       0.84372090
Li      10.49990005      10.91000002      10.27629998       0.47414072       0.10052613      -0.37760477
Li       7.54689002       0.02918189       9.79554999       0.54677027       0.67185745       0.47636525
Li       8.19839995       7.41468998       6.09568996       0.95424617      -1.77382196      -1.22526376
Li       9.78860999       3.49100001       8.70384997       2.14843626      -1.18969879       0.91171102
Li       4.58097000       1.08778999       4.58102997      -1.14463100       2.42503847       0.31791514
Li      10.62929999       5.30172997       2.87457006       0.42871172       2.12234375       2.44044458
Li       1.90029003       3.69715998       0.54879003      -0.13101815       0.50472341      -0.04817334
Li       7.79788005       6.49055004       2.56323999       4.32319243       2.88614469       2.58648606
Li       0.96380604       2.83303003       4.06730005      -0.35465307      -0.92258769      -0.60413903
Li       4.27174998       6.35282999       0.80798002      -0.37034607      -0.04848396      -0.21819373
Li       1.84459995      10.28120000       0.05014860      -0.12118735      -1.34136979      -0.27114988
60
Lattice="11.35711806 0.0 0.0 0.0 11.35711806 0.0 0.0 0.0 11.35711806" Properties=species:S:1:pos:R:3:forces:R:3 energy=-425.42636525 stress="-0.02030575153053688 0.00042337131324591605 0.0014493195380922137 0.00042337131324591605 -0.022459799377194858 -0.006436605962238244 0.0014493195380922137 -0.006436605962238244 -0.02190008773968998" free_energy=-425.42636525 pbc="T T T" config_type=melt 
Cl       6.64128001       8.24308998      10.88190001       0.18757839      -0.28914972       0.48997310
Cl       2.96716998       7.96243004       0.47574502      -0.73004027       0.85045445       0.81488482
Cl       4.91024999       9.32922002       3.28380995       0.32141217       0.48780687       0.58213594
Cl       2.91029001       4.27098996      10.48279998       1.37946563       2.06678863      -0.99501166
Cl       7.21321005      10.38890001       8.57511999      -4.53452026       2.43570535      -2.63916580
Cl       9.53406995       7.44369004       1.70312001       0.16647948      -0.16038673       0.44138160
Cl       5.15572002       1.70460995       0.91106301      -0.37184443      -0.26740885       3.07086207
Cl       6.46935005       6.41503997       6.30511000      -0.06399984      -0.51864847      -0.94830706
Cl      11.22341809       2.60756001       9.99096999      -1.13756679       1.61098453      -0.45527282
Cl       6.39658999       2.69762002       5.26185001       1.34644585      -0.90016972      -1.40486983
Cl       0.10248504       7.30389005      10.43220004       0.43185200       0.60506237      -0.73103610
Cl       6.75179999       2.40516004       9.10867001       1.36124195       0.20181694      -2.09121236
Cl       4.63737002       7.29516994       8.43782004       0.07849560       0.34565299      -0.01047604
Cl       5.81785999       5.38784997       2.45448003      -0.66046860       1.30879319      -0.27624066
Cl       8.50302000       3.56255996       0.83535703      -0.45461465       0.46961629       0.06384606
Cl       9.70820001       4.76775996       4.79733003      -0.11849839      -0.32027487       0.02937449
Cl       8.11538998       9.23441000       5.06352997      -1.43877431       1.00784209       0.11529428
Cl       0.90183297       3.03092997       2.02185003      -1.45240127      -1.04840867      -3.72393952
Cl       3.17212996       1.24683996       3.91181996       0.82059059      -0.36977348      -0.19680935
Cl       1.72192002       6.56762001       6.93468002      -0.12312755      -0.01685281      -0.11295913
Cl       1.34657998       5.65604002       3.28886001       0.34375481       0.82347577       0.10880756
Cl      10.18859997       8.77722002       7.98274997       1.09207273      -0.48144714      -1.08088239
Cl       8.99331997       4.98057997       7.88122994      -0.20274481      -0.11488009       1.26621617
Cl       9.09922997       0.26139895      10.81739998      -0.65654163      -5.52687053       0.36669250
Cl       0.33783201       1.37094998       5.82974998       1.16999859      -0.44698354      -0.90027459
Cl       0.87552103      11.24689995      10.20710003       0.59552888       0.07016816       0.75919227
Cl       3.00894998      10.10349995       6.96626996      -0.11224342       0.35176301      -0.08924344
Cl       3.33665996       1.45595005       9.00574000       1.83755483       0.49963942      -0.17078775
Cl       0.19147794      10.33349999       2.95586999      -0.94856518      -0.10212088      -1.98276769
Cl       2.89488998       3.45731003       6.24523004       0.45563819      -0.21806030      -0.39373709
K        4.65160003      10.19709998       9.98692004      -0.12106024      -0.21752620      -0.06627943
K        9.68365001       1.80214000       7.38232004      -1.07469708       0.28988763       0.87021995
K       10.56190004       8.35091003       4.61866996       0.74854592      -1.18172625       0.59533750
Li       5.47942003       2.01300999      10.47709996      -1.25787496       0.12230596      -1.75565602
Li       1.25565001       2.71477995       3.81994996       0.68019515      -0.96739712       3.18326730
Li       9.96942996       5.38325000       2.71345003       0.25566155      -0.19265294      -0.22419194
Li       7.42852000       4.20255003       6.15819999       1.17272465       1.74860764       0.42902582
Li       9.06511001       2.01933000      10.75879998       0.01050423       4.88932240      -0.35849677
Li       0.96581704       9.43228995       9.42742002      -0.70455461      -2.15796295      -0.92581527
Li       5.56617001       6.46297996       4.28179001       0.35026257       0.13965230       0.57464187
Li       4.86847999       0.34376804       2.53082996      -0.53159117      -0.56585250       0.77007916
Li       6.40474997       3.43776000       2.18662001       0.63111753      -0.97463678      -0.29077739
Li       3.27224000       7.23385002       9.98298003      -0.36449026      -1.09839865      -0.81276242
Li       1.66031004      10.91519999       4.14505996       1.15509144       0.86219604       1.32919580
Li       8.74475002       9.60788997       9.01379003       3.10221180      -0.92593451       2.58060589
Li       1.21434997       4.65970004       5.52641999      -0.54759986       1.26180847       0.13050045
Li       0.31232495       8.03318001       0.94282501       0.21493184       0.48309646       1.57484397
Li      10.74969998       0.53308200       0.79393603       0.95662487      -0.04582915       0.52682365
Li       2.24635005       4.32747004       1.04276004      -0.19637818       0.73979990       1.59434706
Li       1.87844995       0.26239701       8.07728004      -0.89400978       0.15280333      -0.64442665
Li       4.37610997       7.78575996       2.01489005       0.22097685      -0.86724148      -0.40817709
Li       7.52980005       8.34259004       1.50087995       0.08748638       0.03688776       0.15197556
Li      11.29882561       5.46183001       9.66070999      -0.30467761      -1.59504787      -1.01569992
Li       7.77324999       7.34038002       7.96225003       0.14197611      -0.07013809      -0.23349396
Li       6.94200003      10.90549999       6.13574004       0.39310963      -0.73205096       0.18207678
Li       3.78914003       8.21515000       6.32567001      -0.14258927      -0.96861793       0.59994429
Li       4.71674003       2.08302004       6.01847996      -2.49516763      -0.62847331       0.42072837
Li       3.62839002       3.98659000       8.12546999       0.02559199       0.53082806       0.78815701
Li       7.69703997       4.15020996       9.78986995       0.66409717       1.06050290       0.26518273
Li       1.95400000       2.55452999      10.19920002      -0.75857732      -1.48234644       0.26315610
60
Lattice="11.35711806 0.0 0.0 0.0 11.35711806 0.0 0.0 0.0 11.35711806" Properties=species:S:1:pos:R:3:forces:R:3 energy=-427.03835268 stress="-0.01974304713933821 -0.003003131881675751 0.001537413920551449 -0.003003131881675751 -0.017993124257178028 -0.0026753035928459355 0.001537413920551449 -0.0026753035928459355 -0.013778026038713247" free_energy=-427.03835268 pbc="T T T" config_type=melt 
Cl       3.55983005       2.60487996       2.59224005      -0.15878520       0.78154874       0.36221941
Cl       9.03899000      10.38130005       5.28592994       2.52719215       2.35512306       3.03576518
Cl       1.99496001       1.64165994      10.04630005       0.30729351       0.10953210       0.12631572
Cl       9.65275001       1.54232003       8.90812000       1.88713576       1.79885093      -1.33309325
Cl       5.25424994       4.68199997      10.72949998      -0.70320756       0.45582882       0.73684647
Cl       7.70263994       5.95548997       7.57298004      -0.14591588      -0.57695165       0.02078124
Cl       1.18928004       9.17853003       3.88477003       1.49172278       0.19952387       0.58898283
Cl       3.60374996       1.43502002       6.07113996       1.22061780      -2.19310515      -1.42977164
Cl       5.22548997       7.40777997       1.95448994       0.69351532      -0.28605766      -1.81399326
Cl       5.99269998       1.97634002       8.67251999       0.22961097      -0.73545560      -0.04273888
Cl       9.77898995       6.59695000       1.61648996      -0.73497598       0.86329665      -0.55216506
Cl       8.05425995       3.04435999       0.70609497       0.08438731      -0.28968946      -0.21364434
Cl       8.02988996      10.34350004       1.49029000       0.40724351      -0.04154089       1.19387061
Cl       3.88674004       4.69192995       7.65277004       0.14927380       0.45930121      -0.18943751
Cl       3.37576002       6.61826004       4.79148997      -3.00553938      -3.12040232       3.32671500
Cl       3.86352995       9.76535005       9.80947995       0.43297108       0.06732832      -0.71156635
Cl       0.39103205       0.77194797       2.95467999       3.30909665      -0.08545161       0.29204424
Cl       0.76765702       3.04723005       6.31127998      -0.71274889      -0.10397687      -0.08140533
Cl       5.40528996      10.43749996       4.01653997      -0.43405923      -0.35615591       0.71125530
Cl       0.34650102       6.52468000       6.68969995       1.98218352       1.75037561      -3.50774157
Cl       0.36393101       4.45389998       2.42354006      -0.27226049      -1.20084653      -1.45674128
Cl       0.76502603      10.63040004       7.55794004       0.39872316      -0.60572884      -0.44298057
Cl      11.00929996       9.97613998       0.30091797       0.09257287       0.50664468       1.27581737
Cl       2.10011000       7.40804005      11.19899995       0.34201776      -0.71581796       0.03283933
Cl       0.62956003       5.18938002       9.60639003      -1.68579990      -1.03505599      -0.21208403
Cl       8.89853005       2.37123996       3.85987001      -0.52361455      -1.81794937      -0.11952519
Cl       5.36042003       0.71324496       0.84752005      -0.96188405      -1.28121390      -0.62415386
Cl       6.61979995       4.87116004       4.16331006       1.63880116       0.21953308       0.76639508
Cl       8.44933002       7.88466002       4.29923999      -0.26258860      -2.22919377       0.00425187
Cl       8.38713004       9.73076001       9.31955000      -0.23358061      -1.40382811      -0.15584959
K        9.73888001       4.70613998       4.42105996       0.25472778       1.61034785       0.99781866
K        2.75010002       9.84429996       1.05567002       0.37925695       0.23467239       0.83262230
K        7.14709005       1.24892001       5.99783999      -0.27151709      -0.00281195      -0.03586000
Li       8.36846996       0.41025295       9.74533994      -1.73339301      -0.68834850       1.03680859
Li      10.74470001       0.31186396       6.00515999       0.09683000       0.20171440       0.30398597
Li       1.48798996       8.21869001       6.33310995       0.40207591       0.96738459      -0.24459819
Li      10.58439996       5.71152000       7.82246004      -2.92277357      -2.07179421       3.17907538
Li       9.94238003       0.82957297       2.54228997      -3.61498638       0.06873948      -0.62533544
Li       2.05695000       1.57387998       4.09471999       0.46995489       0.87338347       0.21963395
Li       7.85906005       9.93056999       3.90952003      -2.48918070      -0.57251800      -2.72383432
Li       1.53757003       5.28767996       3.71282997       1.79947672       0.85634849       1.48158056
Li       5.40372995       4.36538998       2.73717005      -1.77546678      -0.70492584      -1.76325458
Li       2.66564996       5.21344995       9.92203001       1.41729943       0.31465803       0.15904626
Li       4.98771996       7.55302002      10.94090001      -0.49337144       0.02117353       0.17672573
Li       4.38379998       7.60635997       3.73612001       2.60040322       3.42817832      -2.06010762
Li       8.25899994       4.91717999       1.79421000       0.01360894       0.10266719      -0.15805342
Li       7.89850003       7.88264004       6.59295002       0.33166819       0.60168829      -0.20367632
Li       8.67449999       8.72960996       0.28251104       0.63915720      -0.35907064      -0.54283348
Li       0.35188997       6.08726003       0.51718703       0.00811387      -0.14952435       0.03438198
Li      10.74760005       8.26683999       4.13349001      -1.49278807      -0.34216094      -0.03771127
Li       3.38815995      10.71440001       5.35887001       0.44562345      -0.34443910      -0.28366638
Li       5.54839998       5.35025995       5.88838996      -0.67650586       0.32669186       0.89403402
Li       5.83795005       4.11318996       8.67324004       0.25325040       0.43936177       0.16901313
Li       4.42258000       2.47386004       0.46427104      -0.34512748       1.06350630      -0.37947946
Li       0.24834996       2.73119996       8.78759997      -0.05547826       0.00763902      -0.02560394
Li       7.33817004       0.90940204       1.16516002       0.40408897       1.21078703       0.22157925
Li       0.49498602      10.04449995       9.85236999       0.59418672      -0.00904234      -1.86696474
Li       2.82591003       2.85503002       7.06974001      -1.05658531       1.82008189       1.25504493
Li       4.20490005       0.66618095       9.03098006      -0.19595328      -0.49855077       0.37162982
Li       0.97077897       0.99543300       0.64788599      -0.34599416       0.10569724       0.03079069
60
Lattice="11.35711806 0.0 0.0 0.0 11.35711806 0.0 0.0 0.0 11.35711806" Properties=species:S:1:pos:R:3:forces:R:3 energy=-424.67094834 stress="-0.019346812834232067 0.002061482789800549 0.0030409912719655137 0.002061482789800549 -0.02610407548520883 -0.005113391615906421 0.0030409912719655137 -0.005113391615906421 -0.019973899709022646" free_energy=-424.67094834 pbc="T T T" config_type=melt 
Cl       1.35817004       8.66541998       7.32137002       1.18762046       0.23943678       0.25889848
Cl       6.24724003       7.66678995      11.07419998      -0.08016895       0.03497765      -0.81065922
Cl       4.42302997       2.68045999       1.79873002      -0.82118378       2.22975491      -0.03853912
Cl       4.36274003       9.88609995       6.46628999       0.61250598       0.28247390      -0.33353981
Cl       2.07494002       0.43456002       1.83326997      -0.27908083      -0.13757138       1.19929245
Cl      11.05270005       7.25217996       4.78038998      -3.99473234      -1.08020757      -1.49320182
Cl      10.94620004       2.62180002      10.09019997      -2.89169705       1.70338248       2.89102590
Cl       5.76429005       7.56569002       4.01641005      -0.75307251       0.86876655       1.51549806
Cl       2.01609004       8.13502996       2.70525996       1.39341569      -0.50779634       1.74684447
Cl       4.39690996       2.66562997       6.36644002      -0.34096412      -0.50471952      -0.13285273
Cl       7.71686996       8.92591002       2.14014998       0.76793459       1.24669901      -0.37090610
Cl       9.13518002       4.91844995      11.09730002       4.19036773       1.02859267      -1.42767328
Cl       3.40493997       5.99810995       5.13812000      -1.08656814      -2.24684312      -0.09469109
Cl       7.45002005       5.60977998       2.72860996       0.34634739      -1.76188511      -1.88726959
Cl       8.35149004       7.77602998       6.85950999      -0.27086703      -0.07665660       0.54761018
Cl      11.33402597       5.32326999       7.53954003       0.67673965       1.27715379       1.29869376
Cl       8.31873997       1.45425001       6.53069995      -1.09781973       0.63525179      -0.13313467
Cl       0.80296097       1.19099996       7.11252999       0.86924468       0.06079222      -1.82083830
Cl       5.75439005       3.69907002      10.07640005       0.46311682      -0.34776559      -0.28037406
Cl       5.32062003       0.30445799       2.75470998      -0.67868779       0.13793589      -0.14524152
Cl       4.76131002       7.25801002       8.20814004       0.78533370      -1.20627639      -0.78362994
Cl       0.55630799       3.81691000       2.79809997       0.51577513      -0.22535202       0.25607219
Cl       2.91604000       0.84792800      10.19079996      -0.03115481      -0.38431002      -1.34462314
Cl       7.10262999       4.54478997       5.44554004      -0.30801024      -4.49831032       1.14351837
Cl       2.23107995       5.24131998      11.16660002      -0.27930470      -1.23199551      -0.80811783
Cl      10.41500003      10.78709999       4.82660005       0.35509482      -0.35833580      -1.68716790
Cl      10.23720003      10.49289998       8.69463003       0.09373536      -2.03227989      -1.26246415
Cl       1.89274004       8.42747995      11.06549998       0.23803400       0.91188095      -1.27062600
Cl      10.70379996      11.03250005       0.57264895      -0.51822300      -0.44461094      -0.12188001
Cl       8.53242994       2.26551995       2.94275002      -0.00536770      -0.39893524      -0.13493372
K        9.42644002       7.89495002      11.07659997       0.06421422       0.78992940       0.27417227
K       10.56230003       3.59465995       5.88894998      -1.05571049      -1.23207637      -1.56129140
K        6.54919002      10.63340002       4.59898001       2.02235159      -1.46997603       2.23126749
Li       5.08869996       4.88125005       6.30292000      -0.36408190       0.41357525       0.27803205
Li       9.60944998       0.56889905       9.81773998      -0.20581075       1.65354332       1.68791201
Li       5.68703996       7.65680000       1.84618994       0.52768868      -0.32419317       0.19022252
Li       1.76593998      10.72709999      11.30629995      -0.84464002      -0.53535240       0.01102153
Li       9.85604004       3.80061004       2.07332004      -0.28373566       0.45663964      -0.37677456
Li       7.45519003       4.69300002       0.36288195      -4.42558331      -0.35637719       1.36373123
Li       2.10862001       6.79646004       1.17698005       0.01842169      -0.26226237      -0.20207582
Li       4.10672003       2.31747003      11.03619997       1.13329618       1.06993210      -0.25819955
Li       3.70028001       8.64748005       9.35881996      -0.76836312      -0.08088103       0.22016246
Li       6.83272002       2.49793997       7.51174996      -0.93294646       0.86067150       0.40804933
Li      10.62670000       8.32880000       7.05980003      -0.55466125      -0.09604738      -0.42652308
Li       0.76692597       1.85998998       8.99291997       3.29946505      -1.63201844      -1.51409179
Li       1.85855001       3.22621005       0.78880398      -0.40077532       0.02299976       0.51067894
Li       9.90253995       0.28638188       6.67858996       1.55485772      -1.04602080       0.68961224
Li      10.13869997       0.60701400       2.49372000      -0.18507772      -0.06307434       0.60408806
Li       6.36261994       3.01854004       3.04648003       0.15761137       0.28052435       0.11401073
Li       0.90428100       9.75597997       2.87348999      -1.19673119       1.66847672       0.18596622
Li       8.56553004       7.26803995       3.27593004       0.74864381       0.80900185       0.46202582
Li       7.18139002       7.03808000       8.75877004      -0.93907377       0.17616418      -0.13124134
Li       3.25257004       0.13189998       7.05387003      -1.08419134       1.03029754       0.45522223
Li       5.28328998      10.65129998       1.03191002       0.14354072      -0.79791429      -0.92117323
Li       3.60769997       7.93890003       5.65319995       1.26919195       1.24604646       0.70566797
Li       3.27322000       1.34423996       3.43389994       0.43465303      -0.04052020      -0.39715812
Li       2.54648994       3.85785003       5.58042001      -0.03770117       0.45603485       0.14303098
Li       7.25457994       6.35848005       5.46195006       0.13396360       4.20832666      -0.17519274
Li       0.03268192       5.42678001       9.69305995       0.38253710      -0.66410110       0.43972697
Li       1.37454995       7.71493005       5.36857001       2.33028348       0.24540433       0.51403071
60
Lattice="11.35711806 0.0 0.0 0.0 11.35711806 0.0 0.0 0.0 11.35711806" Properties=species:S:1:pos:R:3:forces:R:3 energy=-423.46715294 stress="-0.03470228826721874 -0.0020278488762229727 0.001433350911620043 -0.0020278488762229727 -0.01046969432847188 0.002551250584320098 0.001433350911620043 0.002551250584320098 -0.017826377291499173" free_energy=-423.46715294 pbc="T T T" config_type=melt 
Cl       4.30082999       3.11288998       9.53293003       1.12556100      -0.57475762       1.54501061
Cl       8.92557998      11.14140005      10.83060002       0.72975472       0.56306391       0.05499388
Cl       6.38853995      10.64679994       9.00473001       0.88968462       1.27059905       0.89017696
Cl       5.37801005       9.87491001       1.09177997       0.26805115       0.55692293       1.08127670
Cl       6.87805003       2.40121003       7.54081998       0.53867767       1.37116877       0.87980564
Cl       2.85404002      10.63709994       8.74126997      -5.79081521      -2.18352097      -0.32621099
Cl      10.39520003       6.71515000       5.84513002       0.08582844       0.46368154      -0.66370187
Cl       7.68565003       8.49519995       4.47645999       0.18586673      -0.05982256      -0.20155978
Cl       4.83403998       9.13427997       6.42546001      -2.76676471       0.52868345      -2.41726435
Cl       2.83369000       6.79931999       8.43094001       0.18804205      -0.70967692      -0.54802189
Cl       8.73234997       3.56532996      10.70390001      -0.52925545      -1.79562709      -1.71190207
Cl       7.57647996       6.50192999       9.60741001      -0.65135739      -0.56019856      -1.10744024
Cl      10.76250002       4.60788001       7.80175999       1.02468336      -0.96501175      -0.20240943
Cl      10.59309997       9.77607003       2.90573001      -0.10883301       0.47934260       0.40427937
Cl       9.03333995       5.94842006       1.63894003      -0.01441633      -0.89473609       1.71074096
Cl       0.50706000       1.20475002       8.46204000       0.09967877       2.52679375      -1.68320898
Cl       7.36583995       5.25819995       5.30049999      -1.51923256      -1.22499009       1.39489576
Cl       3.32372000       2.71805000       2.00218995      -0.92232346      -0.50063237       0.70385845
Cl       4.05675996       0.83918302       5.22978001      -1.79713602      -0.06989605      -0.88672700
Cl       6.53291005       3.24725002       2.56457002       0.14325917      -0.15137852      -0.85215972
Cl      10.73640000       9.91176000       6.24430001       3.48152021       2.17302564      -3.07359212
Cl       2.18485000       8.50828005       4.99696999      -0.12456926       0.11360143      -0.50718669
Cl       4.58414000       6.19820999       2.88477000       2.58350958       1.91556368       1.04767202
Cl       7.34356001       0.78899796       4.93915000       2.37827418      -0.65348425      -2.55378274
Cl       2.17250005      10.69620000       0.79718803      -1.77639528       0.19303308      -0.72086059
Cl       0.96095302       4.58177999      10.84177611      -0.20683911      -0.59240745       0.13169734
Cl       1.35125003       6.21066999       2.54068998      -0.71513092       0.79025347       0.40733034
Cl       3.37839998       4.31072999       5.42970004      -0.24399400      -0.19955570       0.56004120
Cl       0.18098192       2.40121003       3.72735004      -3.12381687       1.20278136       0.07404890
Cl      10.95819997       8.17112004      11.10680002       0.12875580       0.04590055      -0.30015808
K       10.86629999       1.35968996       1.36873000      -0.17976454      -0.59409776      -1.21240691
K        3.07717003       8.34859000      10.83659999       0.18268864      -0.33878657      -0.04070640
K        6.75019000       8.54779999       7.64447003       3.12635069      -2.53393791       0.66059624
Li      10.36870001       3.91313001       9.70573994       2.23220562       0.10140595       0.02031076
Li      10.27500004       1.65644998       5.45967999      -0.43042171      -0.41965484       0.32635764
Li       5.49950998       8.43031003       4.17745001      -0.25242701       0.04450597      -0.00252529
Li       8.73292998       4.69562000       7.55560002      -1.59483037       0.30751303      -0.51723798
Li       7.40431003       1.29264003       9.43499999       0.46779264      -0.32006377       0.24143154
Li       5.34931004       4.13315997       4.35954004       0.27714824       0.39170257       0.03253654
Li       7.89001002       3.93292001       0.96743895      -1.04055237       1.18681991       2.72015601
Li       6.33938998       1.06362999       2.71724001      -0.07699086      -0.55889345       0.54184795
Li       9.55908003       9.47588005       7.47199005      -3.11243288      -1.27262474       3.42579854
Li       2.28668996      10.29809996       6.51291005       0.30638909      -0.32998091       0.00927630
Li       8.40290996       9.74235995       2.79353997      -0.24568247      -0.09781310      -0.00941890
Li       0.07184842      11.23439997       9.78653005      -0.62730065      -1.92552441       1.62425293
Li       3.16792998       5.08336995       2.29908001      -1.95863399      -1.74426323      -0.60375143
Li       5.07713001       4.74068004       8.46162002       0.33095178       0.85911491      -0.63509479
Li       1.86199996       1.92510999       4.32706005       4.10150007      -0.36642265       1.26740966
Li       0.16563596       7.91869003       4.23859003      -0.14158759       0.00313983       0.20686975
Li       5.91568998       1.07337997       6.20687002      -1.13779014      -0.18950550       1.25047953
Li       4.72047005       3.08396999       0.53846698       0.47560669       0.12954892      -0.58216820
Li      11.15410003       5.26271997       1.36323997       0.27790465       0.17501692      -0.61811315
Li       0.63840303       6.48069002       7.63835002       0.25941493       0.19925043      -0.03737464
Li       4.47570996      11.17919995       8.88413002       4.58128720       2.17683297       0.40365595
Li       3.23806995      11.11080000       2.42661999       1.36167510       0.15253334       1.00865629
Li       0.68715698       8.96655998       1.62345006       0.25628052      -0.38095457      -0.85056458
Li       3.45294004       6.60069001       5.30278005      -0.18462616       0.12847548       0.06488666
Li       2.51594997       2.97870994       8.63688999      -2.17288670      -0.18084755      -0.54886701
Li       8.82647005       6.10065995       4.25033999       0.93935525       1.08614747      -0.81201141
Li       8.36714004       7.06346997       0.07768189       0.41910848       1.25264406      -0.46392316
60
Lattice="11.35711806 0.0 0.0 0.0 11.35711806 0.0 0.0 0.0 11.35711806" Properties=species:S:1:pos:R:3:forces:R:3 energy=-422.90246483 stress="-0.028362738814220002 -0.003813794441057918 0.008527754264182058 -0.003813794441057918 -0.027403875640175615 -0.0021367305174448343 0.008527754264182058 -0.0021367305174448343 -0.01461064502258901" free_energy=-422.90246483 pbc="T T T" config_type=melt 
Cl       5.40324000       5.14986997       0.85001498      -0.31446107       0.76721519       0.43603422
Cl      10.10109996       0.45909401       6.51389005       0.20108364      -0.15118242       0.28912862
Cl       7.05604003      10.89599999       4.14055005       1.53967051       1.85097609       0.56282660
Cl       3.53484996      10.18590004       6.26537996       0.08897121       0.10547205      -0.47558503
Cl       9.59344996       8.95599003       8.96006996      -0.59434380      -0.02965809      -0.09487960
Cl       5.39993996       2.38563000       3.23106000      -1.32592762       0.61833735      -0.66956158
Cl       6.07853004       6.20874996       8.76899996       2.41198627      -0.48123069      -1.56025523
Cl       7.45994003       7.75659000       5.79165003       2.45978163       0.49384983      -0.67268253
Cl       5.63827999       2.25660996      10.92749998       2.02788123      -0.32527834      -0.61953589
Cl       1.08481000       3.86159004       2.36972004       0.43375773       0.95883107       1.21528408
Cl       7.85400000       8.66468994       1.37507999       0.00752464      -0.57184264       0.66657624
Cl       1.17503004       8.67924000       7.75713003      -0.34254420      -1.23792783      -3.52614204
Cl       1.93068997       0.26230105       9.64556005      -0.78629690      -0.14360801      -1.01883198
Cl       0.63019399       7.03214999      10.82090002      -0.53347931      -1.13517127      -0.30680755
Cl       0.66562195       8.47354999       4.15334998      -0.52790380      -0.30661900       0.21691584
Cl       8.22867996       3.20397997       7.59517003      -0.62254418       0.29274561       0.20392349
Cl       2.14376995       2.32840000       5.49339996      -0.13065105       1.56979961      -1.47015863
Cl       4.38079001       6.52342004       4.58340997      -0.52755263      -0.09957848      -0.08934797
Cl       2.72976998       2.58562998       0.22161394      -0.80302422       0.73802682      -0.29716815
Cl       9.09049999       5.33579996       1.01367003      -0.50652475       0.32045936      -1.05546840
Cl       3.35491005       4.95490005       8.83054998      -1.42956610       0.64018723      -0.17115437
Cl       9.96561999       2.43438997      10.90199995      -2.76854050      -0.28309646       2.69203969
Cl       5.99091998       0.79835202       6.94643998       0.65823939       0.21918274       0.11591059
Cl      11.34896422       3.52944999       8.57735995       0.56838864       2.19224332      -2.47317776
Cl       3.27354005       8.80914999       0.62141596       5.71402660       3.24277162      -1.29073716
Cl      10.76239996       5.77077996       5.47565003      -4.72351050      -0.19216435      -0.54866792
Cl       5.76382998       9.26112001       9.48026004      -4.47830052       2.55601875       1.11090222
Cl       0.22927500       0.68914197       2.62364998      -0.07656536       2.48623667       2.00486672
Cl       8.16388999       3.33144999       3.60458005       1.43302163       0.23009667       0.33053523
Cl      11.06010001       9.96756001       0.61089700      -0.21039493      -1.72181940      -0.59624573
K        3.86434006       0.07028750       0.44345503       0.65693968       0.30510034       0.10730674
K        4.92611998       3.32224005       7.17291000       0.36912798       0.39396753      -0.24026773
K        1.62398997       5.17871000       5.44920998       5.02672130      -1.01678979      -0.07650442
Li       6.78206000       9.22092002       3.47081001      -0.34589506      -3.36436378      -1.51393605
Li       1.08606996       5.36305999       9.15583998       0.24697009       0.11177248       0.30128402
Li      10.85049996       4.22129995       1.08447996       0.16384798      -0.36095520      -0.70234304
Li       3.58639004       3.07356005       2.18222004      -0.37737722       0.18726246      -0.19076075
Li       2.33545005       8.48200002       5.59434997       0.06939092       0.25815290       0.46800056
Li       7.60320996       2.35018000       1.52756997      -0.51590407       0.19815945       0.10663262
Li       0.01342775       1.99954999       9.72497004       2.96216108      -2.18301244      -0.71023351
Li       9.81342995       9.82736003       5.52494004      -0.23851364       0.48129071      -0.33353007
Li       2.09349005       0.96753696       6.86634004      -0.15158954      -2.12391439       1.75109976
Li      11.15499997       2.97916003       3.89787002      -0.00992629      -0.64012764      -0.46587547
Li      11.18649996       0.67431696       0.61265803       0.08431235       0.66979714      -0.65127554
Li       9.19556003      11.25080203       8.81866998      -0.04279010       0.08876281      -0.46712563
Li       1.95510005       7.82880003       0.95605299      -5.69029936      -4.19131972       1.81605233
Li       4.72558995       6.51396001      10.16779998      -0.99173206       0.73400472       1.39599446
Li       7.89019003       3.84797002       9.68352996      -0.25068521       0.00869859       0.12910288
Li       9.88137005       2.76413003       6.28395998      -0.21315835       0.09754331       0.51604883
Li       9.47599998       7.88153999      11.27239998       0.38482092       0.21035164       0.09894272
Li       7.36701995       8.62754001       9.04324994       3.73975093      -2.21820348      -1.29211937
Li       4.28925005       4.02983995      10.51389997      -0.00136097      -0.96370551       0.95137238
Li       5.65949997       5.22239005       3.23847994       0.12018191      -0.53824193      -0.47432964
Li      10.18659998       7.38421997       6.56216996      -0.35619783       0.58861457       1.12197408
Li       1.22923994       8.84982005       9.63146996       0.11334547       0.99502250       2.90594497
Li       0.56000405      10.10910003       2.83056997       0.12129803      -0.89354594      -0.68409378
Li       5.52082002       7.53311996       6.13437004      -1.26769630      -0.00271409       1.01104996
Li       8.84732001       6.53783995       2.67899003      -0.21580421       0.66367374       0.61443181
Li       6.26004995       1.26852001       4.75602998       0.00139619       0.59143495       1.03472942
Li       4.75279002      10.86230001       8.01713001      -0.23353626      -0.68998890       0.56389146
60
Lattice="11.35711806 0.0 0.0 0.0 11.35711806 0.0 0.0 0.0 11.35711806" Properties=species:S:1:pos:R:3:forces:R:3 energy=-426.44405201 stress="-0.020354939871558016 0.006326059579460816 0.004379376854529621 0.006326059579460816 -0.023900234782404835 0.001555656572217035 0.004379376854529621 0.001555656572217035 -0.01928749360639778" free_energy=-426.44405201 pbc="T T T" config_type=melt 
Cl       5.09094004       6.00909001       7.70927000      -0.95886063       1.23808485      -0.69509530
Cl       7.19675995       8.34735003       5.36287998       0.19853383      -0.69337327      -0.25860899
Cl       5.06193998      10.82960003       5.95346000      -0.42671766      -0.20103646      -1.10551016
Cl       1.56316000       2.20982999       6.98057005       1.63910375      -2.98119178       0.52911900
Cl       8.95558003      10.68680006       7.57664998       0.41608577       0.12578631      -0.74926083
Cl       0.91931998      11.28809994       9.35027998       1.40372237      -1.76159722       0.17614498
Cl       0.10308197       7.16281999      10.55120004      -2.69319690      -1.07816938       1.14160846
Cl       5.32825997       8.59531998       2.40503000      -0.04734822      -0.60461208      -0.19855587
Cl       8.88833000       5.40800999       7.62095001       2.72530781       0.27859472      -0.83460648
Cl       9.89993996       9.66303002       1.42006997       0.52518792      -0.25087847      -0.20687727
Cl       1.32221999       7.41313996       3.27007999       1.33041447       0.29118751      -0.48701635
Cl       4.31395996       2.38456004      10.26970001      -1.41102438       0.32919164      -1.58775472
Cl       5.28295994      10.56450002       9.47999996       2.04222530      -3.04892580       1.01089142
Cl       1.03010003       1.26843995       2.43146006      -0.58920482       1.07065439       0.48087792
Cl       0.98557695      10.49609996       5.12224003      -0.07374429      -1.08743897      -0.67536151
Cl       2.64633003      10.60270003       1.26365996       0.58726714      -1.18417904      -1.05309173
Cl       9.71533001       6.53721996       2.89505001       3.48096936      -2.53880586       1.18216502
Cl       6.93946001       3.94819000       9.18010004      -0.65714917      -0.36712141       1.33675970
Cl       5.11969001       4.85911003       2.57926000       0.59223798      -0.25169267       0.39153170
Cl       5.69326002       0.97313795       0.89554294       1.40173573       0.17197066       2.13242782
Cl       3.93703004       6.32881003      10.82139996      -2.76527603      -2.04936038       1.83664687
Cl       8.05034004       0.21137198       3.26630000       1.14294974       0.33442740       1.31055117
Cl      10.26069995       3.46427001       5.16162004      -1.17759887      -0.43037593      -1.12076899
Cl       1.67316005       4.59811005       8.78605994      -0.31538219       0.14264222      -0.56944189
Cl       0.24007199       2.56902996      10.77699999      -0.67596048       1.51498900       0.23781619
Cl       1.94270001       4.68913997       4.62013003       2.65121404      -1.38461040       1.48174490
Cl       8.71744001       1.04492005      10.28279999      -0.58194259      -0.04658327       0.66012941
Cl       7.51727996       6.97569001      10.52019999       0.44134450       0.57539303       0.38133242
Cl       2.46999998       8.12752995       8.44891004       0.10367002       1.36786522      -1.10465751
Cl       5.44253995       3.21850005       6.25820998      -0.05783108      -0.77626002       0.02050306
K        3.03243002       3.32377996       1.28752002      -0.41150289      -0.07943977      -0.06020939
K        8.08423002       2.54524997       7.25988996       0.60083448      -0.75444252      -0.88409780
K        7.95251006       3.05974003       3.03953004      -0.11863900       0.17213129       0.08266466
Li       6.46918003      10.34170005       2.75614995      -0.36152579       0.12971595      -0.35362904
Li       8.06549998       7.21970996       3.06505005      -4.91831154       2.27493247       1.04093998
Li       4.49396006      11.00523411      11.20469997      -1.57507542       0.15923258       1.82216323
Li      11.33450002       0.69814101       4.22146997      -0.63941807       1.29867508      -0.15740003
Li       1.88575996       2.15088995       9.47161000       0.72347729      -0.01503939      -0.65434591
Li       4.51755004       4.19095998       4.65736002      -0.54981618       0.39029908      -0.36651662
Li       8.38192996      10.11070002       9.57542996      -0.35534656      -0.05502153       0.69059281
Li       1.52744005      10.48930000       7.12341000       0.26339298      -0.03875505       1.22473851
Li       5.49618995       8.82755999       6.98508996       0.06783768      -0.39470249      -0.34989621
Li       0.06919744       9.08576997       3.21813003      -0.25267024       0.67585018      -0.52138825
Li       4.62826002       3.83980005       8.52819998       0.30351811       0.09463793       0.00232918
Li       5.28554005       7.49067001      10.27569998       2.17699544       1.77767419      -0.82166356
Li       0.39319899       3.64523002       6.54785999      -0.54616991       1.86579958      -0.12907729
Li       8.69154998       9.89922003       5.39212002      -0.19702465       0.52741635       0.01582556
Li       1.18284998       8.88294002      10.57589995       0.96260607       1.64323152       0.06055262
Li       0.38898402       5.65155998       3.99418996      -2.08910264       0.58500922      -0.51855614
Li      11.10509998       0.72403695       0.36981105      -0.07239047      -0.83830939       0.88338816
Li       2.64738999       5.60971002       6.92164001       0.35828001       0.29074925      -0.02975551
Li       3.28035000      11.33130004       3.31416003      -0.37976229      -0.23409286      -0.08118567
Li       7.12026998       5.90025997       8.45334999      -0.42748098       0.82438279       0.49192815
Li       6.80975002       2.57493998      10.67770005      -0.49436413      -1.24129134       0.81949687
Li       3.94351995       6.73448004       2.27609002      -0.19977605       0.60081454      -0.31367959
Li       9.58808997       6.71976996       0.92981100       0.09680531       0.92558067      -2.48020496
Li       1.69574004       6.55715999       9.53664994       1.61446727      -0.63083078       0.16081226
Li      10.53080004       5.02387001       9.33841997      -0.01500151       0.17190590      -0.20848726
Li      10.48899994       0.81699905       9.13627996      -0.82130869       0.68700572      -0.80283650
Li       4.87466996      11.35670648       7.88837005      -0.99426001       2.48230629      -2.22614473
60
Lattice="11.35711806 0.0 0.0 0.0 11.35711806 0.0 0.0 0.0 11.35711806" Properties=species:S:1:pos:R:3:forces:R:3 energy=-429.01894274 stress="-0.003731776442359132 -0.004211224556897491 -0.0009140699601949904 -0.004211224556897491 -0.010227315139462057 -0.009298929697626506 -0.0009140699601949904 -0.009298929697626506 -0.008920044896713051" free_energy=-429.01894274 pbc="T T T" config_type=melt 
Cl       2.48338003       3.95855996       2.21349004      -0.20428047       4.45858603       4.81429208
Cl       7.94700004       8.87499004       5.77706000      -0.67633100      -0.29211158      -0.67425962
Cl       8.71767998       1.44144997      10.78359995      -0.35988277       0.50434378       1.84760216
Cl      10.45289998       8.22585999       3.20750000       0.17596170       0.12870488      -0.66382970
Cl       6.04374001       2.74559999       2.59156998      -0.35722953      -0.62513737      -2.33212045
Cl       7.27395996       9.83009005       2.18886997      -0.12043970      -0.30406642      -0.06297958
Cl       3.10243995      11.17310004       2.24338005       0.11541597      -0.29405441       0.69402531
Cl       7.93402998       4.03019998       6.88428997       0.08223422       0.07812148      -0.46141933
Cl      10.54940005       5.40135994       8.97769995       0.41476302       0.94084459       0.04985818
Cl       6.36699005       5.94154003       3.69429004       0.06754325       0.41048159       0.45239258
Cl      11.07029995       9.43019002       6.18546003       0.90377700       1.17014037       0.27536659
Cl      11.32236040      11.24449997       1.48748003      -0.40064937      -1.05736726      -0.01635861
Cl       5.36046001       9.50776005      10.41560003      -0.27039235       0.18276434       0.53274501
Cl       6.07705997       7.17826000       8.48355004       1.00719643      -0.70437963      -1.42033813
Cl       9.47303998       9.54100994       9.36211001      -0.12324877      -0.14391309       0.23657286
Cl       4.35157995       2.61236997       6.19290996       0.10259246       0.34150411       0.13234645
Cl       5.42168998       4.69731005      10.92869997      -0.34143471       1.49990662      -0.18505895
Cl       0.73526005       2.58600999       9.16557996      -0.69625770       1.30989772       2.37623171
Cl       8.79073998       6.17463999       0.74307204      -0.41223838       0.35437370      -1.09113862
Cl       9.86010998       3.26698994       2.80741996      -1.03722089       0.79605013       0.42922655
Cl       3.52984999       7.87852002       0.84823805       0.34171519      -1.22797124       0.08040822
Cl       4.37163004       1.45664999      11.33870681      -1.36527655      -0.00125283      -0.37955312
Cl      11.14620002       2.13869002       6.27357003       0.25789734      -0.44267379      -0.34997760
Cl       0.76082595       6.93219997       0.23701295      -1.13561948       0.72524331       0.41613894
Cl      11.11110006       5.51469001       4.87147997       0.65014642      -0.52301691       0.03974863
Cl       2.95715005       8.66127997       4.27797004       0.48632417      -0.85497135       0.90452836
Cl       2.25615999       7.08238003       7.85375003      -0.04300625      -0.61743469       0.29860181
Cl       6.73756997       1.00147998       8.71812995      -0.76183744       0.20073086      -1.35667431
Cl       7.85151995       0.92411098       5.06350999      -0.29846953      -0.90963077      -0.66285079
Cl       1.62405005      10.39680002       9.12270003       0.24195317       0.35225144      -0.03959175
K        5.19658997      11.13020000       6.46064005       0.04788634      -0.06313406      -0.09271285
K        1.99122000       4.95928003      10.21449999       0.72688150      -0.16449776      -0.44747763
K        3.04321997       5.14305002       5.00307002       0.04566167      -0.07384085       0.34240954
Li       0.23530302       7.64860005       9.42950996       0.16045790       0.27521389      -0.46019218
Li       8.67371999       5.95302003       9.68759002      -1.13114624       0.20510338       0.20008724
Li       0.89907898       6.09661000       2.56331994      -0.23372704       0.20284686      -0.15362493
Li       6.37461999       3.04366005       8.18060005      -0.20160915       0.40270986      -0.80004666
Li       4.52714998       7.42491002       9.86514005      -0.55159462       0.38517728       0.57791390
Li       7.01106005      10.62070004       9.82645997       1.07939000      -0.15548566       0.46961734
Li       7.41295995       0.77720802       2.36139004      -0.26632505       0.54581247      -0.13285982
Li      11.15859995       4.17797005       7.36796998      -0.08630000      -0.63396099      -0.70598245
Li      10.07569999       1.00309996       9.32749998       0.86934060      -0.25608651      -0.39778796
Li       1.49156995       1.39836004       7.87132994       0.90606540      -1.93766319      -1.62080416
Li       1.42283997       9.91749000       3.37662997      -0.30237811       0.39692025      -0.68927023
Li       9.16812998      10.21869997       3.70533995      -0.11166260      -0.54765120       0.24325697
Li       1.98524002       8.65933995       6.37920997      -0.20753508       0.50922120       0.07089566
Li       9.07270997       5.54443998       2.72711003       0.12617524      -0.34133318       1.00785888
Li       7.22729004       7.73523998       0.85886797      -0.16283585       0.59160247      -0.09186922
Li       5.90405995       2.71561004      10.91180001       1.31232680      -0.88911531       0.23700033
Li       6.47170995       3.27066000       4.38804005       0.32858156       0.54855840       2.67820296
Li      11.13410004       1.78762004       2.29410003       0.52525361      -0.16601062      -0.04124048
Li       4.78222995       9.01908995       2.09971001      -0.08368627       1.07679899       0.42929348
Li       6.40344004       7.35712995       5.75688998      -0.00145618      -0.55134291       0.42106170
Li       8.99315994      10.17960002       7.02520000       0.55769838       0.31125280       0.67192255
Li       9.17480001       2.54300002       5.30538003       0.51555512       0.85828954       0.14742952
Li       5.34351996       5.19496999       1.86911996      -0.21702390      -0.65801951      -0.39863362
Li      10.75409995       8.91345001       0.54107400       0.01442065       0.25597999       0.36683325
Li      10.77209996       7.41672995       5.79615994      -0.62814171      -0.33390342      -0.34335621
Li       2.42921998       2.89473996       0.86662295       0.66078558      -4.93529019      -4.87650710
Li       3.13341002      10.87890003       0.00779428       0.06523600      -0.31411560      -0.49535270
60
Lattice="11.35711806 0.0 0.0 0.0 11.35711806 0.0 0.0 0.0 11.35711806" Properties=species:S:1:pos:R:3:forces:R:3 energy=-425.90154179 stress="-0.021028863186866947 0.0010851444200526935 0.005095471413085296 0.0010851444200526935 -0.019923232061682075 -0.00041454368474579605 0.005095471413085296 -0.00041454368474579605 -0.01848079726392173" free_energy=-425.90154179 pbc="T T T" config_type=melt 
Cl      10.87120002       1.84712997       0.82237903      -0.18559044       0.14431245       0.60961318
Cl       6.86284001       4.41762001       4.53392996      -0.00627643      -0.03885172      -0.24443927
Cl       5.90135002       5.50186998       0.73558396      -0.57860105      -0.16181018       0.66210137
Cl       9.44488000       1.14958998       7.49152997       0.77895318       0.11028455      -0.79771030
Cl       3.92088999       9.90878000       7.58733998      -0.20132567      -0.02367014       0.37266575
Cl       6.20982003       1.34270005       9.44722002      -0.96198015       0.75839533       1.28051889
Cl       8.17595000       4.86244005       8.36838001      -1.50450631      -0.09349985      -1.16216915
Cl       3.42548000       7.03574997       4.81519001      -0.96274232      -0.06694089      -0.45869391
Cl       9.97909998       3.57955998       3.95761005       0.66578187      -1.48137782       1.34686973
Cl       8.92718997       7.23565001      10.56079999       0.00427960       1.49387365      -1.99251435
Cl      10.34089994       6.20886001       5.05616000      -0.65915440       2.60259138       2.22002996
Cl       6.53342998      10.78459995       5.23205995      -0.75435741       0.55501333       0.37244800
Cl       1.90436996       9.03903997      10.58840005       0.25728796      -0.32061303      -0.16725799
Cl       0.38554599       9.18593998       2.40055995      -0.89787920       0.33923145      -0.86135107
Cl       1.58658996       1.07098998       9.69025996       0.41715195       0.07070363      -0.37589475
Cl       9.49540998      10.41200005       4.33424002       0.72625366       0.67921180       0.01572778
Cl       1.74686002       6.14958006       1.39979001       1.31463977      -0.64129882       1.14097366
Cl       4.33618004       3.01922998       3.26586002      -0.12396971      -6.09857933      -2.35825983
Cl       6.89520995       8.01893000       3.55465995       1.61383849      -0.85153529      -0.49111217
Cl       8.68881996      10.91910002      10.28859996       1.71484641      -0.52126773      -1.39348969
Cl       3.48652996       4.50123997       9.54667998      -0.25241624       0.18447127      -0.39482121
Cl       5.17742994       6.14627002       7.09006005       2.30427181      -0.57160171       0.16591749
Cl       4.63338004       2.39212002       6.48763001       0.14149718      -0.41655358       0.09431381
Cl       9.10968999       5.87985997       1.52948001       0.90696490      -1.36046812       2.00814135
Cl       7.73428996       1.46595000       2.07861995      -0.09775821       0.50315993       0.62138180
Cl       7.56696997       9.71289004       1.21494996      -0.54459750      -0.73443837       0.19444999
Cl       1.82221995       0.91697598       3.95205006      -0.58825924      -0.58098656       0.36781823
Cl       1.73542999       4.34487006       5.23298999       0.12237818       0.63188487       2.19692454
Cl      11.12300004       3.86152996       8.92622995       0.19428202       2.93741925      -2.01570725
Cl       4.35464002      10.83340001       1.22076004       0.38389060       1.00205664       0.01779876
K        7.35290998       8.44421001       7.47745998      -0.23590567       0.14860581       0.26154044
K        3.12563005       9.24475997       3.00629002      -0.17336845      -0.13124638       0.49066540
K       11.12389998       9.02254001       6.22124994       0.43838699       0.01984397      -0.04699923
Li       4.80752997       4.66643004       3.53324997       1.76932732       6.10011958       0.91686603
Li       7.38220999       0.77485505       7.89580998       0.23799783      -0.39778015      -0.68881652
Li       9.29956000       3.43655001       2.09868003      -0.56287116       0.01119857      -1.31800901
Li       4.06012996      10.16269995      10.59020004      -0.36733416      -0.16651107      -1.06943681
Li       2.57946000       4.81472005       0.19660898       0.70487657      -0.95643893      -0.83550111
Li      10.35269999      11.29200350       1.83964995      -0.31984414      -0.31022909       1.06018015
Li       0.25805496       5.12884998       3.97187004       0.55662596      -0.69170776      -1.30048418
Li       8.36383000       6.01045002       4.21182005      -0.27566539       0.13381634      -0.97276395
Li       3.41305997       6.70762000       7.75307997      -1.48316596       0.89439860       0.41075705
Li       5.57940003       5.23515000      10.05090002       0.20708499      -0.24500577      -0.87736620
Li       9.41661997       9.23299002       0.22398190      -0.02034155      -0.38831369      -0.51403426
Li      11.23419997       2.50529995      10.19560004       0.45688060      -2.52926771       1.20525720
Li       2.47663004       2.98477998       4.02012996      -0.77484350      -1.53587513      -0.34888576
Li      10.45180004       1.09038998       5.40699001      -0.21858689       0.16325727      -0.41272854
Li       0.07838195       7.10048997       1.47068001      -2.29086921       1.22873590      -0.06016088
Li       1.17817005      10.92900002       0.04348198       0.21807451       0.16848506      -0.06106456
Li       7.23596994       7.21822002       1.17351999       0.36378982       0.47445155       0.07773705
Li       9.44634995       5.15946003       9.98442999       0.55039248       0.14998914       0.74812260
Li       6.31570005       4.06137004       6.57785005      -0.13558774       0.13583997       0.82952464
Li       9.99199996       4.91974000       7.04065999       0.21844811      -0.48960047      -0.13614615
Li       7.52467004      10.29529998       3.25134994       0.11600314      -0.08121984       0.55571008
Li       8.01384996       1.28128996      11.22020005      -0.61317014       0.31928873      -0.37424504
Li       3.10266005       3.57537000       7.42962005      -0.34645292       0.60818555      -0.05724121
Li       6.06888001       1.49359004       4.48107995      -0.05150218       0.42050672       0.68916001
Li       5.40535004       7.63678002       4.70939005      -1.16574590      -0.31196255       1.62044835
Li       2.77206003       0.78485102       7.73881997       0.66973832      -0.83641993       0.00002769
Li       5.55574997       1.21466002       2.02096997      -0.69927500       0.04573932      -0.76638665
60
Lattice="11.35711806 0.0 0.0 0.0 11.35711806 0.0 0.0 0.0 11.35711806" Properties=species:S:1:pos:R:3:forces:R:3 energy=-427.54107215 stress="-0.01720305786027358 -0.0022986130194317216 -0.0010944933393950073 -0.0022986130194317216 -0.012811154646452822 0.0025157705009996863 -0.0010944933393950073 0.0025157705009996863 -0.014766488814564533" free_energy=-427.54107215 pbc="T T T" config_type=melt 
Cl       7.77198003       0.84149499       2.84041000      -0.33788146       0.17202869      -1.69950595
Cl       2.53212001       0.85302496       7.40148994       1.60604880      -1.27369135       0.03625136
Cl      10.37260005       9.96642998       4.28816998       1.24957259       2.89943121      -0.94663406
Cl       5.62864995       5.39847001       4.70299997       1.83573306       1.04442869      -0.27067369
Cl       8.57161995       9.50910996       9.23571005       0.10275269      -0.32876483       1.12970905
Cl       0.50937299       8.51727001       8.09992999       0.33430075      -0.38537372      -0.32597960
Cl       2.58103001       5.59015999       9.70068001      -0.45985143      -0.06984232      -0.75511056
Cl       3.62886997       9.17958000      10.11900003       0.52091718      -0.10845872      -1.80984957
Cl       4.81650005       0.74364297      11.21039999       0.47005951      -0.09422292       0.05103742
Cl       6.87781005       9.10397998       3.85406005       0.28157971      -0.19377514      -0.09390522
Cl      10.36410004       4.36555000       6.91513999       0.45328418       0.03439131       0.65599114
Cl       4.07990997       5.91212997       1.34254003      -0.09814925      -0.22324332       0.66880470
Cl       4.69723998       1.85581998       3.71369004       0.64518317      -0.84722403      -0.31803681
Cl       5.40740999       9.15138004       6.87561994      -1.52618714      -0.05492158       2.99968633
Cl       7.81769005       2.79402004       5.61947998      -0.36121382      -2.45373378       0.25173188
Cl       8.18962999       1.95188996      10.27769997       0.17894131       0.41757951      -0.12680120
Cl       0.97509297       7.16620998       2.72499999      -0.06199235      -0.77348640      -0.08284379
Cl      10.59870005       0.83764595       8.26879001      -0.13815588       1.07558972      -0.59787630
Cl       6.07026001       8.63644002       0.62524194       1.24426214      -0.80188117      -1.87500889
Cl       8.28139005       4.62607003       2.09524995      -1.45434578      -0.58357907       0.85847789
Cl       0.40365196       3.10340997       0.17431405       0.27648518       0.67588708       0.01578037
Cl       2.08467000       3.51239001       4.25451998      -0.12602014       0.77036944      -0.04596785
Cl       6.08196000       5.69596995       9.77415000      -2.32422010      -0.49367749      -2.20836803
Cl       8.40027999       7.12122001       6.27396003      -0.12058259      -0.12811630       0.33317498
Cl       3.29760998       9.44153999       5.02208001      -1.00451722       0.32672661      -1.23364320
Cl       9.68412996       6.47073005      11.31733305       0.05096383       0.79823526      -1.86913486
Cl       7.47220004      11.16509997       6.65171005       0.57391992       3.91160040      -1.30471928
Cl       3.30866001       6.13593005       6.15933003      -0.73263980       0.46278342      -0.07285329
Cl       1.58524005       0.43707199       2.29878995       1.74108394      -0.27417829       0.95658867
Cl       0.41898305       9.92165999       0.37063001      -0.49363232      -0.71975112      -0.90246719
K        0.66127604       1.40002000       5.68520999      -0.99512210       0.10061034      -0.86524496
K        3.20178998       2.48974002       9.40605001       0.01588351       0.54940963       0.96202033
K       10.50790001       1.51469997       2.49606003      -0.34249902       0.45981210      -0.33580019
Li       7.86439994       5.64835000      10.24970002       3.42429852      -0.30667155       1.29010586
Li       7.84129003       4.65546997       5.29772999       0.48771686       2.91358643      -0.19126124
Li       8.01556000      11.26414881       4.64378997       0.39508441      -0.72808947       0.22978144
Li       5.68426996       9.72649996       2.15697998      -0.17917209       1.09282773       1.66678927
Li       2.30206001       5.73560004       4.26424996      -0.50306796       0.07476595      -0.87380040
Li       1.64636997       5.26402002       0.55160602       0.15912450      -0.29665366       0.02907187
Li       9.78476004       7.46570002       8.55280995       0.05856768       0.26744007      -0.09968051
Li       8.03262998      10.28510004       0.11758195       0.12912224      -0.07917671      -0.08828435
Li       6.74239005       2.85252998       2.49988999       0.08224648      -0.46243648       0.12795059
Li       3.89247005       0.51816897       1.84353999      -0.89316625       0.71702304       0.26917049
Li       1.63020004       6.37444997       7.36326995      -1.30735624       0.17618202       1.12813208
Li       2.98061998       9.48225003       7.39054997      -0.23261411       0.24427256       0.10685118
Li       9.00209005       2.52333006       7.59635004      -0.24840626      -0.28334272      -0.16510390
Li       4.69063002       0.10174104       5.56025999      -0.11286194      -0.14255843       0.01321753
Li      11.21462200      10.59999999       9.43446995       0.28454435      -1.16348131       0.74718186
Li       5.68789004       8.00217996       5.31211003       0.06250859      -1.15789771      -1.42008334
Li       4.39301004       6.46777005      10.57809994      -0.70450236       1.02543158       0.79415429
Li       6.27234005       5.95727997       2.67086004       0.00586435       0.38984799      -0.81916817
Li       5.57444004      10.31740002       9.73495000      -0.25756131       0.00897370       0.44299682
Li       7.22822995       9.63587004       7.60543005       0.74176817      -2.94807555       1.43966786
Li       1.12916999       9.43730003       3.10409003      -0.11395922       0.62292741       0.00814079
Li       4.43136996       3.77994997       4.64908000      -1.43103645      -1.16510568       0.03434595
Li      10.41090000       2.63437996       9.75098000      -0.10610263      -0.20067226       0.39321565
Li       2.31971998       8.59372999       0.15513801      -1.43938991      -0.11694326       0.89787616
Li       4.66659995       5.89125003       7.67306998       0.93169976       0.02134953       1.19623422
Li      10.09419994       5.59939004       1.75000004       0.98716862       0.06293530       0.67906940
Li       9.68202003       8.33827002       4.90209002      -1.22447889      -2.45742038       0.98459896
60
Lattice="11.35711806 0.0 0.0 0.0 11.35711806 0.0 0.0 0.0 11.35711806" Properties=species:S:1:pos:R:3:forces:R:3 energy=-428.01558279 stress="-0.009894163548638396 0.0011831996706164894 -0.004206718424485951 0.0011831996706164894 -0.018218547406730453 0.007954820981993948 -0.004206718424485951 0.007954820981993948 -0.01660075053193536" free_energy=-428.01558279 pbc="T T T" config_type=melt 
Cl       9.15633004       6.85795997       2.06528999      -0.10543508      -0.21520478       0.55308083
Cl       6.07248998       4.04750005       6.11834003       0.15540998       0.64135444       0.06699970
Cl       7.92299995       1.62537997       3.88647996       0.77282728      -0.30306936      -0.86313365
Cl       6.71285995       9.27053995       2.69925999       1.48182551       1.08839850      -0.40847461
Cl      10.36450004       9.63171005       7.91538000       1.32241314       0.40936165       5.98309623
Cl       8.64133005       8.52667995      10.67120003      -0.14112548       0.85630624      -0.00663376
Cl      10.85500000       4.09019997       4.52014003      -0.58244586       0.09444919       0.10600629
Cl       3.35815001       9.94304999       3.37849004      -0.34582833       1.75108730       1.43045373
Cl       1.39879002       0.78133497       1.92294998      -0.01118596       0.40921588      -0.44555902
Cl       5.10453996       7.62785003       4.97063000      -0.47989373      -1.26081510       0.14370225
Cl       1.17039997       0.90258799       5.36198005       1.70761584      -0.10808580       0.50503680
Cl       6.50058996       4.45007002       2.47464005       0.28854243      -0.37491021      -0.77736729
Cl       2.30413995       4.33637005       6.47287996       0.39612946       0.18656660       0.39114471
Cl       5.24884998       1.43777003       1.40609003       1.50194839      -2.86491088       3.93117483
Cl       3.06228005       9.02183996      10.81560000      -0.37414725       0.25647521       0.19282409
Cl      10.40759996       3.29828005      10.56279997       3.83977347       3.16040113      -4.91115520
Cl       7.62731000       1.32692002       7.77404998       0.67834450      -0.62748808       2.26258295
Cl       0.34193205       6.71669002      10.01620005      -0.20736885       0.34795316      -0.51316956
Cl       6.27010997       3.45946005      10.07680004      -0.08756032       1.50444471       0.75935990
Cl      10.76370001      10.05019997       4.11029003      -0.94823692      -0.78161750      -0.67051194
Cl       8.51254000       7.26149995       6.53312004       0.23125951      -0.21390598      -0.15686660
Cl       8.80143998       0.55917804       0.80800205       0.32965413      -0.61874754      -0.49291775
Cl       4.93196003       6.98384999       8.70257002       0.42092008      -0.00984528      -0.55620214
Cl       1.84037998       8.60739998       6.35069997       0.44197806      -1.18776119       1.23889898
Cl       1.91324998       4.52015002       0.76521502       0.23486049      -0.66248568      -0.69909257
Cl       4.93002001       0.85814395       5.85972005      -0.67789114      -0.01518225      -0.49404466
Cl       2.02193998       7.09155998       3.01857002      -0.10797050      -0.28932011       0.03389163
Cl       5.40462000       6.84206999       0.86465999      -0.67298933       0.25521279      -0.23840603
Cl       0.63118104       0.74195201       9.17706996      -0.13100720       0.03549280       0.07344158
Cl       3.61129994       1.16876000       9.86520001       0.75829632       0.43097371      -0.46206101
K        8.19122998       5.51284005      10.82239996       0.02275729       0.71736548       0.05939907
K        2.19586005       3.77601995       3.51569005      -0.11774889       0.12519218       0.19069129
K        5.75781002       9.48531997       6.86174995       0.23847837       0.70457585       0.59159404
Li       0.73957303       4.58365006      10.02360001       0.52724348       0.45527584       0.09608787
Li       6.37359001       6.45193005       6.19636003       0.19059253      -1.01725125       0.79299000
Li       3.05901999       6.49392004       1.01014001       0.19546484       0.22955306      -0.38289194
Li       1.91668005       9.49123998       8.45434998      -0.02373026      -0.04766494       0.64200383
Li       8.87693994       9.64007002       1.50039000      -0.39544527      -0.70202578      -0.01267014
Li       3.10940005       1.03035000       3.75736997       0.11199059      -1.06507005       0.21032386
Li       2.41512000       1.47181004       7.79782997       0.13270047       0.12239197      -0.32121524
Li      10.92139995       2.11992000       5.63157997      -0.95308988       0.78824996      -0.07369377
Li       9.42250001       2.55438996       0.34421801      -4.58504456      -3.09057427       5.24544715
Li      11.23119999       7.38769002       2.29958995       0.10537083      -0.17482108       0.22538634
Li       6.96201002       0.26216601       2.17879995       0.09887966      -0.27838429       0.46695409
Li       2.19095003       9.82506998       1.74036000      -0.54310287       0.22789951      -1.52472853
Li      10.94749997       7.55179004       7.99981995      -0.05108038      -0.56420835       0.19781341
Li       3.05225001       6.51659998       5.50017005      -0.24556082       0.05504837       0.31844471
Li       4.55371996       2.50745996       0.17008193      -2.04307252       3.13884214      -3.40280771
Li      10.43809995      10.77269996      10.14890003      -0.72254982      -0.40689424      -0.24404133
Li       5.41358997       8.40395005      10.54590001      -0.17706597      -0.34943941       0.04488237
Li       0.79224700       1.93778998      11.29335591       0.65005242      -0.30272884       0.17359043
Li       7.37273997       1.42536000       5.83701002      -1.29863473       0.25984392      -0.58457056
Li       5.01660997       3.96267998       8.31545004      -0.04359880       0.50201495      -0.83327768
Li       9.26173001       5.47746002       5.28232996      -0.08823012      -0.04667055      -0.26818281
Li       6.13879999       1.52324995       9.65788003       0.01000989      -1.82693935      -0.79586407
Li       6.70966996       6.40252000       2.58397002       0.64614245       1.93138283       0.14020097
Li       4.82172001       8.59912996       3.17376004       0.17954318      -0.74224233      -1.00807154
Li       9.99710999       9.69365994       6.22452999      -1.39718695       0.03040488      -6.13358369
Li       1.41684000       9.97784002       4.89392005       0.20320723       0.76274394      -0.87877837
Li       6.11877001       2.80068996       3.44714995      -0.31600404      -1.33021373       1.09246921
60
Lattice="12.62016507 0.0 0.0 0.0 12.62016507 0.0 0.0 0.0 12.62016507" Properties=species:S:1:pos:R:3:forces:R:3 energy=-534.99994976 stress="-0.010298228163984454 0.00048585996068979713 0.0005734251068657213 0.00048585996068979713 -0.007956216814370334 -0.0027510285587610045 0.0005734251068657213 -0.0027510285587610045 -0.006449649967330244" free_energy=-534.99994976 pbc="T T T" config_type=melt 
Cl       2.01329001      12.06670003       9.18756006       0.32762462       0.34146624      -1.71982709
Cl      10.19149999       2.70498006       4.14887005      -0.53060809      -0.64016785       0.47499021
Cl       4.20487002       0.91097601       5.38301000      -0.15393607       0.31367339      -0.25610225
Cl       9.42903000       8.80199004       4.86595995       0.40618371      -0.24425081      -0.85566387
Cl      12.42836910       4.14933006       9.06497004      -0.11223681       0.11218208       0.53317831
Cl       8.01867002       2.55511004       9.99222001       0.42277065       0.10022142      -0.82145327
Cl       9.77592995      12.08749996       1.52513004       1.38136631      -0.91409083       0.02376850
Cl       6.55404004       3.87058002       6.09419000       1.17840503      -0.98496314      -0.52870677
Cl       7.42467002       4.84377004       2.70605996      -0.09247403      -0.35358448       0.03724106
Cl       9.89507995      11.91659995       6.01230999      -0.40859539      -0.02465152       1.73615329
Cl       0.82357796       8.28287002       8.55228000       0.83886450      -0.40157479      -0.36564324
Cl      11.94620005       0.30950702      11.27319996      -1.13357753       0.62119034      -0.13175213
Cl       1.21308005       9.63089005      11.10030004       0.05436803      -0.32289810       1.67881742
Cl       4.19694001       7.79418997       5.71280003      -0.92648404      -1.61731034       0.61349977
Cl       4.91685998       4.71220002       9.39596000       0.16213323      -0.43304453      -0.23177066
Cl       7.20547997       1.07182999       2.05179994       0.84331798       4.01666558       1.54211237
Cl       3.18164003       2.29240995      11.04470001      -0.06190198       0.21214487       0.30961148
Cl      12.18280000       3.83004001       1.20987995      -0.13014732       1.11966151      -0.15654791
Cl       4.71360995       7.39604004       0.00829826      -0.13638359       0.06285031      -0.61700040
Cl       0.70659497       1.89985997       6.72206997       0.55311027       0.39357125      -0.40326634
Cl       2.47244001       1.55864995       1.83198001      -0.91055522      -0.36071078      -0.00199892
Cl       8.34558000       6.63857004       7.79077003       0.21304696      -0.57339630       0.26954449
Cl       1.87696005      10.57870003       3.65455005      -0.68454143       0.32354270       0.10386496
Cl       9.66999994      10.60410001      10.19300003       0.26305057      -0.66629126      -0.51925001
Cl       6.29313996      10.84429999       8.16599000      -0.96273552      -0.02176007       0.17667849
Cl       2.44907996       4.86279999       2.98282006      -0.17465116      -0.21413528      -0.33299437
Cl       6.58360997      11.87999996      12.10049999       0.56187526      -0.29065766      -0.52682682
Cl       6.22417997      10.01030004       2.79317999       0.67757902       0.59533931      -2.08134708
Cl      10.64620000       6.73456999       0.41905094      -0.27369755       0.41274932      -0.27449285
Cl      12.31080002       5.65742994       4.93947001       0.15495447      -0.12840196       0.07358261
K        1.01940002      11.74690000       6.51305997       0.37138223      -0.58526869      -0.37631095
K        6.11966002       3.18476996      12.06839997      -0.48822443       0.39079019       0.17023922
K        8.50581003       9.53706998       7.36783006       0.68526052       0.19014395       0.54496125
K        9.76621002       5.14062005      10.17100005       0.13054829       0.28405503       0.40251777
K        4.86271000       0.52720298       1.33359998      -1.34194143      -1.11990604      -0.26012909
K        7.41011001       8.25902005       0.74755396       0.22327978      -0.24198771      -0.07096105
K       10.63700002       2.03695004       7.33137999      -0.25246968      -0.01007885       0.18577829
K       11.45890001       7.54814004       6.99196999      -0.97166683      -0.09025902      -0.64159586
K        3.54800002       8.57247000       2.48152994      -0.09250088      -0.48156784       0.03745885
K        4.52028997       4.76719996       4.79225995      -0.73152336       0.73817345      -0.77335491
K       10.19200000       2.14723994       1.22086000      -1.06263423      -0.15314821      -0.47915831
K        1.77019004       5.40412998       7.25419999       0.09551775      -0.00394399      -0.28499093
K        5.67670005       1.09646998       8.31658000      -0.56962056      -0.02975594      -0.07586186
K        1.10432994       6.47821001      11.38839998      -0.14259777       0.22302994       0.17066440
K        3.85993996       9.79656997       9.67271997      -0.39782384       0.43306525       0.30402310
K        5.68275003       9.83647001       5.25001000       0.41335324       1.51706611       1.63728018
K       11.19730002       9.71403006       2.15656006       0.52086664      -0.94454422      -0.00433025
K        9.51957994       5.84585002       4.77147000      -1.17499516       0.09053726      -0.08475705
K        5.21542002       7.34865006       8.65636999       0.56565780      -0.07686270      -0.34540198
K        1.88633999      12.35780004      11.74260006       0.70615541      -0.13404850       2.06001890
Li       2.35908998       1.86665000       3.96128998       0.30489170       0.07576100       0.83202724
Li       9.07753001      12.12329996      11.61809999      -0.17941649       0.06371742       0.12538439
Li       7.77327003      11.87839998       1.92818000      -0.73467257      -2.73909468      -0.09929216
Li      11.45650003       4.23261002       3.27558000       1.00737342       0.50485936       0.04554212
Li       7.40500995       3.64352003       7.87538003       0.24649682       0.57207609       1.87973294
Li       1.39188002       2.16578994       9.65146003      -0.28477087      -0.24379107      -0.46645932
Li       7.40797998       2.77828997       4.04442002       0.14919502       0.24474126      -0.43395921
Li       1.34862996       3.01759000       0.74753099       1.24944319      -0.03206154      -0.25776328
Li      10.70280005      12.38270001       4.31362997       0.41648450       0.85086718      -1.80817612
Li      12.05789999      10.55349996      10.03520001      -0.00717312       0.27406688       0.31847473
60
Lattice="12.62016507 0.0 0.0 0.0 12.62016507 0.0 0.0 0.0 12.62016507" Properties=species:S:1:pos:R:3:forces:R:3 energy=-534.47839851 stress="-0.01064552642859286 -0.0011229282631159963 -0.004355210561314915 -0.0011229282631159963 -0.0041400586014592785 0.0021756282202267424 -0.004355210561314915 0.0021756282202267424 -0.014476551298332366" free_energy=-534.47839851 pbc="T T T" config_type=melt 
Cl      11.81459999       2.60052005       0.76434901       0.68977254      -0.31397555      -0.68995196
Cl       4.26615001       9.25331995       8.48277003      -0.37481898       0.52116635      -0.35610271
Cl       0.22998800      12.44309999       3.71974002      -0.62068515      -0.11015058      -1.46055592
Cl       9.43415998       7.15339995       1.39485005      -0.08436986      -0.18208042       0.69683559
Cl       7.31575005      10.04720002       7.90850002       0.55067298      -1.20134108       0.41237859
Cl       3.92728999       7.73151003       3.41572996      -0.36929095      -0.26692625      -0.20680974
Cl       9.55720002      10.88580002       1.65355006       0.74044439      -0.11763480       1.30432010
Cl       5.30251001      10.51650004      11.61650000      -0.11987167       0.27570484      -0.28908013
Cl       8.13409998       3.44812996       3.26211996      -0.84238585       0.31940609      -0.02954167
Cl       3.96729995       4.04445005       9.44544000      -0.63999199       0.43842862       0.21053976
Cl      10.90900004       4.35697001       5.62845997       0.61079144      -0.52858414      -0.54296477
Cl       3.40023997      11.81989996       1.94501997      -0.44569585      -0.29102412       0.25169265
Cl       3.72885001      11.79949997       5.54773004      -0.03282553       0.52727106      -0.13224395
Cl      12.52149204       5.79477002      11.40000006       3.50228136      -1.26936950       5.03082211
Cl       8.99938002      12.60890006      12.13440002      -0.19882372       0.63869693      -1.68603522
Cl      10.86510004       9.31429996       5.44356004      -0.35472070       0.40426890      -0.22835693
Cl       6.18309995      10.40109999       3.67606996       1.74905375      -0.41237793      -0.25003280
Cl       6.57131995       5.60457000       7.96226003       0.59287655      -0.05882585       0.13199267
Cl      10.11610006       3.38382000       9.83026001       0.54540454       0.00473199       0.05381957
Cl       1.79659004       9.33107001      12.17150003      -0.31579701       0.29377553       0.01851319
Cl       0.56707197      11.10030004       7.70177995      -0.02341008       0.26552192      -0.38154413
Cl       6.54587000       1.65368005       7.96777996       1.32847175      -0.99442218       0.58114109
Cl      12.45431503       7.36021000       8.03845995      -0.05574531      -0.50797283       0.18812500
Cl       0.15556196       8.19179004       2.94015999       0.29300098       0.36463651      -0.03954868
Cl       9.20656994       7.62881003      10.76799999      -1.05248566      -1.13322373      -0.56099893
Cl       3.82189003       4.05710000       4.47528002      -0.38794082      -0.28510105       0.01470809
Cl       2.57007996       0.88423805      10.04129996       0.15212651      -2.68768930      -0.26470855
Cl       0.97387997       2.91497998       6.90764003       0.15183305       0.51128799       1.78313985
Cl       8.76385997       0.18576302       5.60646000       0.33843275       0.32656316      -0.63564466
Cl       6.15468994       4.24260002      12.06490002      -0.56539413      -0.47891348       1.72199826
K        5.00132005       1.46290000      10.62420002       1.90182413       0.09769059       0.63378361
K        1.56512006       5.86465999       5.30750002      -0.85153551       0.31026483       0.46870869
K       10.71010006       9.21529994      12.21860000       1.14683632       0.12757484       0.71360595
K        2.89114996       7.15615998       9.59263000      -0.73146135      -0.43101192       0.49565037
K        6.20600997       0.56408402       4.12446997      -0.18771495       0.21384994      -0.12578858
K       11.92989997      12.34335008       0.47919903       0.27110906      -0.10403477      -0.05684341
K        4.86803003       6.45541005       5.83581004       0.47726124       0.50768716       0.37211937
K        9.70511000       6.70657998       6.21681005      -0.27706410       0.73552823       0.16108067
K        0.74514503       2.58000004      10.16729994      -1.81511981       1.99746059      -0.00138568
K        4.30220998       2.45327995       7.04329002      -1.72193615       0.28848093      -0.53478393
K       11.09410000       1.02088995       6.95402002       0.68213078      -0.00051027       0.29858249
K        1.87360005       6.36922000       1.57790000      -0.23098127       0.43340570      -0.71347770
K       10.90960001       4.18234996       2.68786005      -0.44679764       1.43414869       0.77242642
K        9.42945997       1.39646001       1.88949995      -0.22448473      -0.87876400       0.30383419
K        8.82068996       3.41223001       7.39085000      -0.76393055      -0.00108832      -0.31709695
K        8.85355994       4.39298998      12.25579995       1.17907914       0.40925995       0.10136643
K        5.15453996       4.75908002       2.09051003       0.70246177       0.18211095       0.00679636
K       10.06689997       9.14942002       8.72875004       0.63178447       0.85596061      -1.15359114
K        1.36071995       2.06024005       4.55058997       1.00098134       0.01660287      -1.41639131
K        7.31018001       9.42748000       0.84573796      -0.52661954      -0.17560103       0.19976893
Li       2.93021997      10.94690004       7.34589003      -0.33643233      -0.37636209       0.50704174
Li      11.60449999       6.17266004       9.97332006      -3.11858708       1.18723304      -4.88128524
Li       4.17861995      10.14429994       3.87747997      -0.80024146       0.22903415      -0.15872698
Li      12.57790001      10.97020002       5.05271000      -0.37655983      -1.51619850       1.56831407
Li       6.55821000       9.76814999       9.92566000      -0.57955486      -0.04852247      -0.02455731
Li       6.02056005       4.61931005      10.14299994      -0.17794789       0.58096843      -2.41098031
Li      10.06269998       9.48072005       3.14688006       0.39958134      -0.81299693       0.76784637
Li       7.53009005      11.80419997       6.99562000      -0.35066552       1.23136370      -0.18460254
Li       2.98200000      11.16059994      10.73610000       0.18380950      -0.42364564       0.37222657
Li       1.67220001      10.23370006       2.22447005       0.17986611      -0.12173636      -0.40954693
60
Lattice="12.62016507 0.0 0.0 0.0 12.62016507 0.0 0.0 0.0 12.62016507" Properties=species:S:1:pos:R:3:forces:R:3 energy=-535.55703265 stress="-0.015272030956101692 -4.133310219377282e-05 0.008327126664311391 -4.133310219377282e-05 -0.011368537022407163 0.004035695457078536 0.008327126664311391 0.004035695457078536 -0.015464329074798595" free_energy=-535.55703265 pbc="T T T" config_type=melt 
Cl       6.04789999       9.60333998      10.78930005      -0.09238532       1.11221300      -0.45988299
Cl       4.82405002      12.12699994       8.40660001      -0.06472296      -0.22452627       0.35197364
Cl       7.97339997       3.05592994       0.82562003      -0.04740815       4.65726907      -2.47185108
Cl       1.09966995       3.72457998       9.95600001       0.04562130      -0.20229543      -0.01318314
Cl      10.03449997       5.23467006       5.18097997      -0.08556441       0.05162433      -0.07481572
Cl       6.09587997       5.60401004       5.60594005      -0.15973690       0.26310594      -0.65440346
Cl       5.18435005      10.67170005       4.15582995       0.12941658      -0.40320660      -0.75795474
Cl       7.11640003       6.63484002       0.23123196      -0.09429895      -0.14410839       0.06072896
Cl      11.11349997       4.07183000      12.14129997      -0.91556198       0.11684161       2.01298837
Cl      12.23820000       7.91785004       1.20936997      -1.02629158       0.33520239       0.18233387
Cl       5.08755995       1.86266998       4.13536004       0.56401753      -0.20426245      -0.91619697
Cl       8.41776999      10.46959997       7.07944995       0.02524319      -0.35855660       1.18459925
Cl       5.95305996       0.52085403       1.04407004       0.86123914       1.85174080      -1.75026276
Cl       0.76861399       4.66583997       5.72447002       1.44541541      -0.53072542      -1.19166989
Cl       6.83068996       6.21304003       8.85405995       0.62845077       0.21284533       0.51439571
Cl       1.77461997       2.07985999       2.01808997      -0.48105161      -0.14959223       0.69060553
Cl       7.94228003      10.05010000       1.24934006      -1.77073701      -0.28470648      -0.37581560
Cl       2.54253998       6.58994000       8.71780003       1.29282862      -0.78539485      -0.31763678
Cl       1.02809998       0.42310706       6.55362004       0.51133106       0.11295021       1.21144813
Cl       9.85027004       2.73358997       9.62578002       0.90471860      -1.75910493      -1.98330001
Cl       1.12580000       0.45605894      10.83480004      -0.15730414      -0.11017121      -0.29102812
Cl       4.53716994       3.25945004       7.98031999       0.79952165       0.07512691       0.44162377
Cl       2.50212996       6.97459998      12.59919995       1.74890566      -1.10442569      -0.68769011
Cl      11.77740004       7.87568999       9.27094994      -1.31569984      -0.15398150       0.05506172
Cl       1.75042005      10.16329998       7.74678005      -0.71535189      -0.92456361       1.97834993
Cl      10.84220000       9.90522997       4.92687004       0.26802205       0.22095915      -0.29448587
Cl       2.80719002      10.33839998       1.14674998       0.80365993       0.35994779      -0.22372463
Cl       9.71202004       0.33887402      12.57124603      -0.20590171      -0.52853444      -0.47877001
Cl       9.62176996       1.16693000       3.39641000      -0.55647160      -0.01978897      -0.04721701
Cl       1.97280995       8.42092996       3.60374997       1.25832789      -0.07163342       0.53462851
K       11.94100003       4.03909998       2.49057999      -0.19719343       0.24541187       0.00433523
K        2.93612002      10.87500006       5.58350000      -0.45933550       0.06386201      -1.23139608
K        7.81070005       5.13605003       2.87560999       0.23059107       0.21600164       0.46050505
K        5.12469996       8.31321003       7.11100995       0.03368391       0.13148426       0.01790281
K       10.30830000      10.75090004       1.94345002       1.31225212       0.05226954       0.82688158
K        8.02493997       0.00993497       9.03347996      -0.37015117       0.00540633       0.20330692
K        4.99642999       7.07599997      10.72619998      -1.13718392      -0.41996852       0.42043116
K        5.02459000       8.40206003       1.69179004      -0.19385088       0.45316508       0.25343722
K       11.66909997       4.21801998       7.65102997      -0.74177386      -0.14105557       0.91371349
K        8.44789004       4.21352997      11.11979996      -1.07496991       1.77621311       0.17943803
K        0.51479395      11.69109994       0.75856405      -0.39537170       0.36583447      -0.22256133
K       12.58529997       7.37854004       5.05438002      -0.93876558       0.21152768       0.26748020
K       12.15339994       1.30761001       4.59922001      -0.29703688       0.34217128      -0.70457925
K        3.62783998       2.54362001       0.06233491       0.15454684       0.11136299      -0.87729829
K        3.69388004       4.32750004       4.20794997      -0.52367298       0.46437185       0.24194531
K        3.84737002       1.15639999       6.46843999      -0.32691495      -0.16123570      -0.47976831
K        0.03808362       6.07856005      11.62309997       0.60459881       1.18511347      -0.69046285
K       11.68849994      11.61050000       8.52872005       0.06345994      -0.41161104      -0.20401830
K        7.51889003      11.80980004       4.88432002       0.76776122       0.60797621      -0.48137466
K        9.23937000       7.27208995       7.68459002       0.25222267       0.50312304      -0.57391089
Li       7.40829006       8.77669998      12.09819996       0.76568419      -0.35060364       0.56108622
Li      11.92159994       2.56952000      11.06720000       0.48087744      -1.16961759      -0.93707270
Li       6.13758002       4.69473005       7.61598996      -0.09342860      -0.33968871      -0.65614465
Li       2.25709002      12.47960003       8.88397997       0.28117382      -0.47871161       0.01212788
Li       2.80728000       4.19292995       8.60882995      -1.03383547       0.92521270       0.19377973
Li       1.78888000       8.23511001       1.41143005      -0.52417658       0.94143675       0.67212273
Li       4.65215000       0.35247894       2.29801002      -3.03152054      -0.86568979       3.57480486
Li       7.80575004       1.68559001       1.87240997       0.08605436      -4.76477648       3.55010837
Li       1.16356004       8.08012997       8.96046006       0.46929130       1.20889203      -0.28241424
Li       7.12115000      11.99880001       0.06964337       2.23875293      -2.11812568      -1.24125378
60
Lattice="12.62016507 0.0 0.0 0.0 12.62016507 0.0 0.0 0.0 12.62016507" Properties=species:S:1:pos:R:3:forces:R:3 energy=-534.8333222 stress="-0.009784060774880582 0.0029755351926303683 0.0005615232604947022 0.0029755351926303683 -0.014938501185998583 0.0013217511805549873 0.0005615232604947022 0.0013217511805549873 -0.017325388137382564" free_energy=-534.8333222 pbc="T T T" config_type=melt 
Cl       0.95463800       0.41984803      10.24509998       0.86383598      -0.18501451       0.79348337
Cl      12.42169998       3.41251005       6.04096004      -1.43521755       1.36634741       0.25671155
Cl       3.52064997       8.39116000       5.32026002       0.88510061       0.35107819       1.59900455
Cl       9.62013994       0.43501595      10.67289998      -0.04526518       0.45344609      -0.43362170
Cl       2.69907003       5.77131999       7.90469996       0.00164394      -0.14562012      -0.77657755
Cl       7.45851995       1.21680994       2.29210997      -0.87550484      -0.03354797      -0.73334969
Cl       9.57707994       3.14408999       7.73466002      -1.30956123      -0.20965558       0.14323874
Cl       3.38958994      12.32139995       5.42035004      -3.51239586      -3.00729755      -1.70364542
Cl      10.33440002      12.01879994       1.64562005       0.30645014       2.63582502      -2.30193941
Cl      12.11930000       5.06240001      11.29429999       0.30712932       0.30451960      -0.17513530
Cl       6.62591996       6.40381995       2.63737005       0.15668410       0.08944969       0.01777515
Cl       8.37341996      10.17520004       8.59928999       0.15449846      -0.09664862       0.70822757
Cl       7.17786995       7.34761003       5.92512005       0.49762926      -0.22776025       0.57815753
Cl       8.41553004       9.71786999       3.14441004      -0.18768355      -0.22748582      -0.37107300
Cl      11.88790006       8.94215994       2.89786994       1.22549022      -0.68228484       0.24971800
Cl       4.59640004      11.19460006      11.61789996       0.03697957       0.46019837      -0.13014969
Cl       4.53945003       4.22128999      11.93829995      -0.61043286      -1.19506237       0.20685955
Cl       2.11394996       2.63583998       2.21604003      -0.90460889       0.43887291       1.59615013
Cl       6.54314998       1.01377004       7.30380998      -1.37017731      -0.74529248       1.45318385
Cl      10.49800001       3.75570004       1.92427999       0.02544295      -0.04639421       0.36470042
Cl       1.39793001       5.66033006       4.19220997       0.15825007      -0.41504985      -2.31296401
Cl       0.13673495      11.96459999       7.35340004      -1.24714220       0.92459969       0.78839642
Cl       3.24145999       7.92209004       0.47776197       0.50098614      -0.48621741      -1.17447464
Cl       9.87492000       7.80496002      11.54280000       0.14498151       1.10947445       0.13807503
Cl      11.36400003       7.78011003       6.36019999       1.35438921       1.66117617      -1.09531635
Cl       1.42507005       9.48120997      10.31010001      -0.81280352      -0.62679934      -0.44640114
Cl       6.53624006      10.78850006       5.72280000       0.00392763      -0.08276985      -0.52381260
Cl       5.20972996       3.02669999       4.99856002      -2.16574921       0.22199244      -0.61013483
Cl       6.45093001       5.99862999       9.76672000       0.39839470      -0.03010618      -0.88283204
Cl       9.48607997       0.48214104       4.55868997       1.63055448      -1.16487497       0.43005405
K        1.78787998       2.02631995       5.29567001       1.36789250      -0.25851624      -0.51749979
K       11.97719997       2.28462003       8.87431002       0.19426962       0.01911294       0.20171769
K        2.18309004      10.32719996       7.33766004       0.62662115      -0.77758362      -0.08127995
K        4.67923994       8.30689995       8.12090005       0.76369872      -0.14620371      -0.17847781
K       10.90170003      10.26789995      10.23920005       0.26736728       0.49426611      -0.32351585
K        4.28583002       1.26661996       1.58600000       1.34253226      -0.70693879      -0.26271094
K        7.60007997       2.11892004       5.29319002       1.53566934       1.49653406      -1.19612404
K        6.04809005       6.42792005      12.42780006      -0.62897665       1.19913975       0.83094237
K       10.23569998       5.84203002       7.40054001      -1.24251191      -1.38810348       1.16503553
K        5.72958006       4.86628000       7.12044996      -0.12728003       0.32885601       0.13636984
K        2.42472998       6.86979998      10.41560005       0.13923134      -0.75482032       0.89873022
K        9.56052998       7.06336000       3.46838003      -0.03627515      -0.23622439       0.15349715
K        3.99775001       5.11139995       3.03404998       0.29270484      -0.23977012      -0.24755142
K        0.00493499      11.64029999       4.78024997      -0.48345027      -0.43861848      -1.64753248
K        8.75810997       5.39500004      11.78320001       0.42760603      -1.20880459       0.08733234
K        6.96212002       2.16530003       9.72306004       0.25431187       0.33554047       0.78286253
K        7.83884996      11.68960004      12.37519997      -0.39991099      -0.30684661       0.17606815
K        1.72366000       2.68648003      12.21300005      -0.44662239       0.31266051      -1.37080607
K        2.53577002       8.08777994       2.98285994      -1.37741513       0.40368526      -0.48321648
K        9.29339995       0.14283490       7.48297001       0.41558005      -0.30166651       0.31649582
Li       8.37108005       9.59146995       6.56786001      -0.45415788      -0.48523320      -0.60189940
Li       0.80042501       5.88337999       6.02708997      -0.49578149       0.28488439       2.30081577
Li      10.59200005      10.30590002       2.17878997      -0.53412397      -3.16356201       0.92324680
Li      12.23350000       4.17959006       3.32858002       0.28957748      -0.07898056       0.13938328
Li       4.68412003       0.77802800       6.01277997       3.81380792       2.72955555       1.44076482
Li      11.99569999       7.38439996      11.79009996       0.18000769      -0.56004197       0.11941687
Li       9.81302995       1.17070999       2.47956006      -0.35737063       1.64786078       0.16709686
Li       6.31876003       8.76414998       4.42367995      -0.06228447       0.15123815      -0.04601636
Li       2.53016995      11.23499998      10.47710001       0.38045101       1.15260359       0.80334922
Li       7.79572004      11.83120005       3.31549998       0.17900576       0.08687888       0.66119678
60
Lattice="12.62016507 0.0 0.0 0.0 12.62016507 0.0 0.0 0.0 12.62016507" Properties=species:S:1:pos:R:3:forces:R:3 energy=-534.51078779 stress="-0.009178892251377933 0.0006061224819989584 0.00030753286098630857 0.0006061224819989584 -0.005667159326957519 -0.004264289973591406 0.00030753286098630857 -0.004264289973591406 -0.011600813692262811" free_energy=-534.51078779 pbc="T T T" config_type=melt 
Cl      10.13320000       8.64225004       8.98963006      -0.08803181       0.23083425       0.27019562
Cl      10.65199997       4.93460999       5.55979997      -0.40671953       1.73560492       1.69924574
Cl       9.50330005       4.29242001       1.79924002      -0.61240069       0.59423440      -0.68126730
Cl       3.14295001       0.08197592       8.00376005       0.41814667       0.20156757      -0.31431043
Cl       3.59564997       6.39427002       1.45488002       1.05225889      -0.98978511       1.62743384
Cl       7.69530997       6.08718001      10.16370004       0.39321241       0.41558959      -0.82502830
Cl       8.60965998       1.59385996       6.43519999      -0.68522755      -0.35065485       1.29202161
Cl      10.07150002       9.42697001       1.47755000       0.33136765      -0.04313507      -0.88926181
Cl      12.19240003       8.08805998       5.02310006       1.07772121      -0.54346308      -1.05768632
Cl       4.97809996      10.75049998       4.53891998       0.10795442      -1.54534644      -1.95258660
Cl       1.52672005      11.36710005      10.78889999      -0.11816647       0.45084603       0.64169860
Cl       6.10959998      10.95890005       8.70793005       0.05963315      -0.18542524       0.39984645
Cl       7.80294003       0.64456496       3.41652995      -0.73191865      -0.07366010       0.75667143
Cl      12.43289999      11.32749999       7.13322006      -0.34791546      -0.24228648       0.42504841
Cl       1.16038001       5.30314998      11.18270000      -0.44106139      -1.18020574      -0.87936793
Cl       2.72682001       4.02810000       6.60841996      -0.09782221       0.23768927       0.13642930
Cl       0.87023396       8.36437004       9.52073999       0.44331615      -1.58509094       0.06682391
Cl       2.32860004      11.23429994       2.06521000      -0.40403172      -0.30085870      -0.04492543
Cl       0.04599255       5.73807002       1.50944002      -0.17439810      -0.03285797       0.29054409
Cl       3.84426003       2.20762995       3.19767004       0.56242906      -0.80254955       1.83587265
Cl       7.28806002       6.41249997       4.53471002      -0.25809664       0.76739177       0.82270332
Cl       7.40818001       2.21050003      10.19720002      -0.64047031       0.01097632       0.06331751
Cl       5.09648998       8.01515000      11.28959999       0.26964162       0.19856557      -0.49317975
Cl      11.39239994       1.09507002       3.91712003       0.37052657      -0.47842789      -0.17450774
Cl       9.67971002       0.94842004       0.62940196       3.56526368      -1.20924261      -1.76902961
Cl       9.08660000      10.48529996       4.34514000       0.58055647      -0.48301370       0.74605725
Cl      11.12490002       1.85192997       9.14170002       0.25096366       0.46628682       0.26648018
Cl       6.20323997      11.48539996       1.11157997       0.70192068      -1.23388916      -0.17878746
Cl       5.91790005       2.37142998       0.76281200       0.11940843       0.34320557      -0.33847324
Cl       3.45625003       8.68720004       7.11599000       0.00593137      -1.66442599      -1.08375574
K       11.45540006       7.49423994      11.78149995      -0.18853794      -0.25039594      -0.03642493
K        6.61825005       8.07257996       8.19289998      -0.25536389       0.07387389      -0.19529662
K       10.40680001      12.12619995      10.74319997      -0.24830784       0.05062296       0.07572457
K        5.27720999       3.22530000       7.06596000       0.66724332      -0.22660405       0.29730654
K        6.53689997       5.60376004      12.41749998      -0.71635808      -0.85791447       1.07521710
K        2.55253995       7.47375994      12.00010001      -0.63173974       1.22464325      -1.11458745
K        4.95174994      12.38400001      11.39599997      -0.02966216       0.32149219      -0.30421459
K        0.32480696       3.78208994       5.20383004       0.81607989      -0.78400021      -0.83370484
K        7.57189005       9.10318996      11.71860004       0.50313639       0.50148213       0.11444907
K       11.86249996       3.18198999      12.05990004      -0.69911849       0.03475547       0.40090973
K        2.42754996       3.42008000       1.40837004      -0.49079826       0.93292301      -0.99962990
K        0.69961500       8.51719998       1.84248996       0.09139685       0.63031060       0.79022877
K        6.24591998       4.60135005       2.88342995      -0.42147114      -1.20923510      -0.67471084
K        9.99717002       7.27660002       3.64080000      -0.53305088      -0.53701856      -0.42665187
K        4.17412995       7.72975999       4.01958997       0.04690117       0.44631475       0.48907392
K        9.85807006       5.59018995       8.64002006       0.57821928      -0.21515526      -0.78665332
K        1.16537002      12.52480004       4.58572994       1.00612666      -0.53376219       0.20235350
K        1.02876999       5.73011995       8.21458004       0.22253296       0.30220109      -0.01921329
K        9.50990002       3.01501006       4.26689005      -1.09598690      -0.40487421      -0.94497647
K        5.55693998      12.47460005       6.22173999       0.74115908       1.53504733       1.39747465
Li       8.82466002       2.13475001       8.71024005       0.67612540      -0.36381343      -0.63153153
Li       8.05934999       1.36754999       1.42676002      -3.18698578       1.13643287       0.63697578
Li       1.81490998       0.54959203       9.59176994      -0.50402654      -0.05970621      -0.28843280
Li       0.11835102      10.18549999       9.61802997      -0.47264331       1.27616147      -0.92393684
Li       9.28074004      12.07580005       5.88206005       0.30110761       0.39813998      -0.06191248
Li       5.48049005       0.00531057       2.81060996      -0.47924036       0.54585552       0.19381908
Li       7.25340996      10.40639995       3.19244996      -0.68282608       0.53459527      -0.29262386
Li      10.49660006      11.81850000       2.85907997      -0.50709336       0.14361627      -0.28628943
Li       3.74627997      10.22330003       8.31955999       0.27883524       1.54197540       0.95493331
Li      12.06620002       9.09491997       6.71689999      -0.08964468       1.10356271       1.53410275
60
Lattice="12.62016507 0.0 0.0 0.0 12.62016507 0.0 0.0 0.0 12.62016507" Properties=species:S:1:pos:R:3:forces:R:3 energy=-532.30625732 stress="-0.017414246686528606 -0.0011820837012677997 0.0025816704140487735 -0.0011820837012677997 -0.013383670065846464 -0.0008332340596340826 0.0025816704140487735 -0.0008332340596340826 -0.01458660543200956" free_energy=-532.30625732 pbc="T T T" config_type=melt 
Cl       1.37283001      10.13349999       4.67880000       0.09612752       1.12919752      -0.38384966
Cl      11.90260003       5.47403004       6.51519997      -0.62635849      -0.73073945       1.31178910
Cl       6.80696001       0.05365160      12.29610005       0.31973054       0.42628494       0.10333733
Cl      12.26160006       7.66608002       4.26266999       2.73332564       0.99379477      -4.73300793
Cl       7.32926006       9.67737996       7.88361999      -0.07763022       0.03987804       0.62114834
Cl      12.42149995       0.62846504      10.07739994       1.13357095       0.03684696      -0.40701700
Cl       3.57407000       5.99392998       1.47907994       0.77965509       1.16696799       0.27834326
Cl       5.07893003       9.83059003      11.89900000       0.00053189      -0.65637889      -1.69441453
Cl       9.53022997      10.79449994      11.10019996      -1.46664386      -3.74046497      -2.80815863
Cl       0.53602296       4.02500995      11.39950005       0.07185587      -0.14111136      -0.20349283
Cl       9.35566999       8.06203997       5.04469001      -0.46714163      -0.51140173       0.20033084
Cl       4.88446994       1.19892994       6.46638000       2.38949249       1.18531985      -1.07216388
Cl       1.61274995       1.07501002       6.39335001      -1.62833394       0.51692378      -0.36694546
Cl       5.17513998       9.77195005       3.83168000      -0.01848921      -0.95361243       1.14036350
Cl       0.82135997       3.90161994       4.22457994      -0.55400813      -0.39320616      -2.45630819
Cl       1.12020005      10.00939997      11.10489996      -0.51393781       0.03274499       0.81350216
Cl       7.46487004       5.76153999       8.59189003      -1.26895699      -0.06349164      -0.91607307
Cl       2.72087995       6.94535994       9.81212004      -0.66962927      -0.38658581      -0.02972530
Cl       7.85125003       4.25473999      11.91930004       0.73618574       0.11896913       0.04102563
Cl       8.95347000       4.78102005       3.55991005      -0.70852600      -0.77775557      -0.28736294
Cl       3.98706995       3.35117996       9.82119999       0.45322117       0.41551229      -0.80068564
Cl       9.42841995       0.15809205       3.41529002       0.12576928       0.01562645      -0.11036025
Cl       9.35204006       1.19218005       7.30566994       0.56082609       1.65059964      -0.37010273
Cl       8.13825997       8.34139995       0.19566203       1.13975687       0.46975371       0.52083667
Cl      12.09050002       9.53735002       7.68316003      -0.29668926      -1.87214048       0.05196015
Cl       3.21332005      10.90620001       7.63486001       0.33755948      -0.19624716       0.79500896
Cl       4.79752004       5.55022997       6.10711002      -0.00181507      -0.23122492       0.35832441
Cl      10.69190001       5.13862997       9.67271000       0.68724360       0.56371379      -0.30176445
Cl      11.41310004       6.14448994       1.74121995      -0.07899234      -1.11282108      -1.10811704
Cl       3.96480999       1.47360998       2.07301999      -0.13689437      -0.05503565      -0.42233000
K        3.22160999      12.38409996       4.43268999       0.33433500      -0.09768126      -0.23404201
K       10.33769994       2.37213002      10.12779996      -0.60722451       0.68357378      -0.26019877
K        4.94241001       8.02434998       8.59380994       0.50526088       0.21907804      -0.40089668
K        7.10513994      12.57279995       7.72044000      -1.25750777      -0.79738299       0.79555686
K        1.01932001       7.05738006      12.34430000       0.10189664       0.04787110      -0.17146824
K        2.08200000       3.80333006       1.17935998      -0.49576626      -0.76067932       0.78046450
K       10.92790000      11.77469995       8.09749999      -0.19604787       0.27146865       0.87193422
K       10.50119998       8.84792996       1.84043994       0.01434149       0.22459155       0.45207239
K       11.80859999       0.86088696       5.41566001      -1.28932239       0.14334911      -1.10739377
K        2.95097004       1.42018996      11.38239998      -0.40635542      -0.65500986       0.41251304
K        4.10188001      10.45250002       1.62176996      -1.14261584       1.09128489      -0.80224351
K       10.63079999      12.57247422      12.00439996       1.99282705       3.26651251       3.04048924
K        6.76398999       2.63580994       1.34140000      -0.47367782      -0.75278534       0.34090544
K        6.07221994       6.85942002      12.45610002      -1.52194240      -0.86953897      -0.44383636
K        6.47266004       6.76255003       3.97315003       0.27668913       0.16002057      -0.13798595
K        1.53857998       3.95482997       6.63651005       1.43492146      -0.03656761       1.47770896
K        7.35828000       3.58608995       6.07539996       0.34221670      -0.07773693      -0.15221549
K        2.53549995       7.72749000       3.96611000       0.26542829      -0.77933922      -0.03142204
K        7.49732999      10.06750006       5.18698994       0.62043759       0.96816018      -0.47326001
K        9.66259998       8.02338996       8.41047995       0.08132669      -0.12632016      -0.03915725
Li      11.02920005       5.62350000       3.99415996       0.64277591       0.02182422      -0.04951475
Li       5.22013996       4.40054997       8.26889003      -0.20015067       0.39701006       0.15790933
Li       3.23050998       0.72794601       7.33304005       0.19841742      -1.26648747       2.38106827
Li       1.29261006       9.92213999       6.85801994       0.95166512       0.26769448      -0.27780770
Li       7.75780995      10.52319996      12.23840003      -1.05148573       0.08284124       0.05350728
Li       2.98272995      10.20309994      10.18029998       0.53053012      -0.21045026      -0.24269942
Li       9.98148997       3.82269002       1.32209998       0.03574389       1.23766535       0.35394137
Li       8.77077999       5.62547997      10.16439996      -0.41452509      -0.33771129       1.40830516
Li      11.48349999       7.30746996       5.79034994      -2.41890471       0.56369787       4.11674197
Li       0.33117698       5.29936999       9.28037998       0.09590748       0.18113050       0.41693309
60
Lattice="12.62016507 0.0 0.0 0.0 12.62016507 0.0 0.0 0.0 12.62016507" Properties=species:S:1:pos:R:3:forces:R:3 energy=-532.68257397 stress="-0.010669103860387576 0.0033173814490852424 -0.0038200129564641815 0.0033173814490852424 -0.01392173086938606 -0.0002007671600147219 -0.0038200129564641815 -0.0002007671600147219 -0.008169736145234857" free_energy=-532.68257397 pbc="T T T" config_type=melt 
Cl      10.63860001       3.95378994      10.89449998       0.21605316      -1.04419798       0.62931041
Cl       3.09288001       2.38559006       8.98978995      -0.32979396       0.52724265       1.03195543
Cl       0.41552600       1.06957994      11.90789999       0.21504811       0.27291968       0.24676470
Cl      10.23469995       3.85487006       2.02243004      -0.02966780      -0.24426291       0.18085650
Cl       1.52005004       9.67082997       4.17662003       0.03332259      -0.25622212       0.15066619
Cl       5.41193000       5.01811005       3.08422006       0.19988470      -1.63772412       0.14652872
Cl       0.47087300       5.96913994       1.59075994       0.24197334      -0.30547519       0.44729149
Cl       7.81088001       6.98677995       1.82266999       0.48016291       0.96781711      -0.25071861
Cl       2.24144998       3.43682002       5.94209998       1.18325973      -0.24738043       0.20259932
Cl      11.06060003       7.33556005      10.89330005      -0.14097150       0.86348368      -0.49520426
Cl       9.92955004      11.99939997       2.77005998       0.24587292      -1.59078405       1.30991630
Cl       3.74812996       7.59508995       9.14459004       0.25350761      -1.07035099      -0.69986468
Cl       3.15151999       6.72637004       5.05585999      -0.72859681      -0.45596194      -0.64914092
Cl       7.08157001       5.90749006       9.86786999      -0.16323879      -1.13307072       0.41951380
Cl      10.09680004      11.83009995      11.76209998      -1.28992611       2.68059152       0.88357834
Cl       7.48816005       4.75023998       6.50701996       0.40026507      -0.36516604       0.64118916
Cl       6.22705005       2.69556996      11.33149995      -0.13325874      -0.65285504       0.21644625
Cl       5.61758000       0.42976698       1.60849001       1.72370790      -1.89239576      -0.02717612
Cl      10.24699995       7.82627005       5.92140000       0.88170213      -0.75173428       0.73772083
Cl       3.16767001      12.40650000      11.11559997       0.49007960      -1.23256080       0.52464382
Cl       1.27202998       0.74917704       3.80985002       1.55618356      -1.49348129       2.75422566
Cl       4.34796994      11.11830005       7.60137997       0.56328804       2.31691888       0.92627101
Cl       6.26170995       9.11139004       3.53457999      -1.46124965       1.08992758       0.25913799
Cl       9.12207995      11.68839998       6.81994995      -0.55231839       0.20490167      -0.08461904
Cl       3.60192005       7.09274996       1.21197995       0.60320358       0.31286025      -0.38097077
Cl       1.04765997       9.77175002       0.08857097      -0.47689114      -0.02087111       0.01091446
Cl      11.15050003       3.54968998       6.53150005       0.45711837       0.14347585      -0.13748485
Cl       6.38798000       1.65701998       7.90794006      -0.42820426      -0.66464609      -0.32647952
Cl      12.35520003      11.17759994       8.78461005      -0.00703159      -0.08098097       0.15672170
Cl       7.01391002      11.00490005      11.42789996      -0.72775964      -1.49427407      -0.93569348
K        9.20075999       2.05328003       7.69858995       0.11226672      -0.70673190      -0.09460671
K        1.00596005       1.13770006       6.61931999      -0.48243154      -0.35412287       0.47558669
K        3.39562995       5.42460998      11.44010000       0.27495828       0.38269605      -0.25543226
K        2.65430000       9.66410998      10.40109999      -0.35784451       0.97150552       0.28082357
K        0.43987106       4.91061994       4.71708996      -0.69116236       0.64937058      -0.69067922
K        9.55422002       9.25842001       0.88152105       0.04825839       0.07540370       0.13395468
K        8.71898002       5.51534998       4.02997005       0.42548574      -0.37423517       0.29428183
K        7.97490998       4.80353001       0.24208897       0.20906144      -0.40497328      -0.69538064
K        8.54879999       9.49538002       4.74677006       0.48908492       1.02904324      -0.07701506
K        9.71837000       5.12854002       8.66219003       0.02143075       1.03417493      -0.71925026
K        7.10196003       8.40596004       8.80175997      -0.18503433       0.84442405      -0.06411807
K        0.38479502       1.70644004       1.84110994      -1.98687162       1.78066022      -1.55522603
K        0.18260306       8.01831994       8.03848002      -0.17114550       0.03024370      -0.01848223
K        6.41913994       0.22677806       5.27750997       0.18821428      -0.35944915      -0.18647114
K        4.67833999       4.88777996       6.50223994      -0.29399906      -0.15164492       0.07375501
K       11.63010000      10.79079996       5.58067006       0.34853525       0.05297372      -0.45142268
K        4.23672003       2.48661006       1.53233994      -1.13164902       2.15685941       0.42418108
K        9.22665998       1.24628004       1.18913998      -0.23448917       1.25918145      -0.71581120
K        4.02019006      10.08879999       1.56161998      -0.39098623       0.09201436       0.02548056
K        3.76264000       9.07241998       6.22145995      -0.36869943      -0.78965274      -1.02736138
Li       7.06582004       0.14644099      12.26669999      -0.10849153       1.26457261       1.00401156
Li       4.99790996       0.65682596      10.84920002       0.87803612       0.30753466      -0.58436100
Li       5.87117995       7.07856994       3.08155998      -0.43150747      -0.10633081      -0.62937793
Li       2.14675002       7.21738999       2.88996997      -0.17250914       0.36564744       0.15476800
Li       6.74817995       3.41350995       9.01840996      -0.29873523       1.28088071       0.63897145
Li      11.03260005      10.39329997      11.02619998       2.48945622      -2.44464568      -1.62364080
Li      11.59929998       0.80027003      10.56590003      -1.10373239      -0.50939253      -0.85500879
Li       2.29036006       1.60067005      11.26559997       0.04898140       0.79989028      -1.18213903
Li       4.20685996       1.03820002       7.77143001       0.13491514      -0.70871204       0.00745279
Li      12.21819994       6.03236003      12.24180003      -0.53512108      -0.21292849       0.02361735
60
Lattice="12.62016507 0.0 0.0 0.0 12.62016507 0.0 0.0 0.0 12.62016507" Properties=species:S:1:pos:R:3:forces:R:3 energy=-534.18175751 stress="-0.008396332286563347 -0.0034473312044973766 -0.004001277734784932 -0.0034473312044973766 -0.010431153883430827 0.0021610219903665695 -0.004001277734784932 0.0021610219903665695 -0.01294978742084014" free_energy=-534.18175751 pbc="T T T" config_type=melt 
Cl       8.32090997       0.92300606       5.37994999       0.48933878       0.33297306       0.02973299
Cl       9.57269998       7.99496998      11.18240002      -0.09817804      -0.15203334       0.08107710
Cl       5.29202997       3.83088001       5.64150001       0.45601883       0.57011025       0.64713736
Cl       3.98269996       7.59234002       3.81082997       1.94539882       0.62236619       1.86885305
Cl      11.70049995       7.99004004       7.00854002       0.06225647       0.11501273      -0.37979427
Cl       8.98155997       6.74229000       2.85839003      -0.40581471      -0.21607001      -0.03300588
Cl      12.35529999      10.99730006      10.86360001      -0.86285549      -0.71624711       0.23430080
Cl       3.49408995       0.42935000       7.08471003       0.06005136      -0.29175251       0.21892009
Cl       9.09922004       3.31980005       1.88122995      -0.24720990      -0.67524827       0.05781642
Cl       3.66640001       4.51819994      10.01619997      -0.05655867      -0.12144745      -0.36345790
Cl       3.02941005       0.33509895      11.64219996      -0.45091571      -0.11312462       0.09985622
Cl       0.38352303       6.06039005      10.81559997       0.18419726       0.76345068       0.66943870
Cl       0.51737099      11.12860000       4.50010995       0.45648398       0.24439715       0.15537509
Cl       6.61985004       0.17220897      10.11209997       0.51976414      -0.62204355      -0.56388271
Cl       1.94724995       4.79322994       6.62301997      -0.44740162      -2.47072639      -2.01006252
Cl       8.68997004      12.10269994       0.83555501      -0.13732511      -0.66008389      -1.02905496
Cl       5.96715996       9.03356994       8.83960002      -0.42908227      -1.00611006      -0.21604986
Cl       7.59079998       3.84501005      10.67280002       0.07019452      -0.28155035      -0.35715123
Cl       4.08510995      10.68610004       1.63907006      -1.06033183       0.13734974       0.20847142
Cl      12.11710005       0.10259702       1.47907994      -0.44098501       0.10337965       0.76056871
Cl       7.02940001      11.06560001       3.49740994       0.26671447      -0.59178250       0.62301574
Cl       0.59335599       8.15915000       2.36732994      -0.88932997       0.69459413      -0.37803235
Cl       0.61390894       4.66402002       2.80753000       0.23087477      -0.08268198       0.14573126
Cl       9.42404996       5.58291001       5.87200998      -3.65369793       0.71910447      -1.47503914
Cl       9.97416005      12.51689994       8.29428004      -0.00970376      -0.08500120       0.20189262
Cl      11.27750003       3.29321996       7.01741994       0.18760778      -0.82105225       0.48649118
Cl      12.38660304       3.13228004      11.76499997       0.32877966      -0.65721508       0.03189167
Cl       3.32896001       5.21357003       0.82966505       1.93578662       0.17818186       0.47238183
Cl       3.52063003       2.01107997       3.32480003      -0.33613255      -0.11349185       0.38378023
Cl       6.04123995       7.00816999      11.39720002       1.55331506       2.49884763       0.22206876
K        5.17464994       2.42423994       8.81534002       0.04960037      -0.20444873      -0.66405834
K        7.05903002       7.72405996       5.50547003      -0.02264780      -0.24776972      -0.76390733
K        2.59650999       7.08830994       6.94563001       0.88567103       2.93312507       0.15223093
K        0.96419096       4.13873997       8.92997996      -0.62031302      -1.11591357       1.03895336
K        1.82418996       1.86317996       1.18591994      -0.22181848       0.74541181      -0.23986752
K        6.27663001       2.39048996       3.35096996       0.86940915      -0.19715683       0.44926108
K       10.01719999       8.82904994       1.54340000       0.41106696       0.92155851      -0.14091913
K       10.70349996      10.84610000       5.83481002      -0.41356388       0.09993205       0.32151110
K        7.28387996       6.35654998       9.05033999       0.39662636      -0.21653821      -0.33684650
K        5.45382995       9.83295997      11.96190004       0.01821627       0.28312767      -0.24837699
K        6.85408005      11.24909999       7.71737998       0.49356442       1.49994958      -0.82426801
K        5.66232000       1.10674002      12.35014011      -0.05578776       0.35041618       1.27906142
K       12.17150003       8.41274994       9.63640998      -0.14708316       0.41414004       0.59391329
K       11.42460004       6.54317004       4.56559005       1.39488401       0.28911445      -1.09504634
K        6.46657006       5.10424002       0.39995600       0.57208987      -1.20716761       1.78477641
K        1.45040995      12.46879995       9.39877997       0.46818457       0.57544527      -1.49465375
K        9.67258998       1.92067996      11.87850005       0.04036622      -0.23512062      -0.25578024
K        4.27079006      10.89249993       4.53974004      -0.04756948       0.37909169       0.10700959
K       12.33300003       2.35853002       4.35981006       0.03969634      -0.28321385       0.07720655
K       11.22970002       5.22092998       0.86156794      -0.70161831       0.24226171      -0.17126614
Li       9.52161999       0.52419395       2.57900002      -0.16185038       0.26955596       0.20481015
Li       9.13544004      10.06290001      11.48160003       0.10847562       1.07254262      -0.16915396
Li       9.24188002       1.93472999       7.41502998       0.29251652      -0.55384943      -0.53872858
Li       1.62414003      10.46400002       2.73573994       0.06755504      -0.32428669      -0.57732033
Li       3.21245002       3.75013998       4.93007998       0.06955820      -0.17570845      -0.06693503
Li       2.37595002       7.18122994       2.83849005      -1.09784129      -1.22069641      -1.20797638
Li       4.36939002       6.19559000      11.03180005      -2.50112952      -0.86117693       0.12238139
Li      10.25490004       5.09241998       7.43307000       1.62150591      -0.48121464       2.62043970
Li       1.52124997       5.31794005       0.05893491      -1.51681709      -0.17634372      -0.79932276
Li       0.54805099      12.30400003      12.29690005       0.48779336       0.12282769       0.04960191
60
Lattice="12.62016507 0.0 0.0 0.0 12.62016507 0.0 0.0 0.0 12.62016507" Properties=species:S:1:pos:R:3:forces:R:3 energy=-534.31600531 stress="-0.008110635245389795 0.008939295995249615 0.00010314897736897499 0.008939295995249615 -0.01708355283971948 -0.002049087552133129 0.00010314897736897499 -0.002049087552133129 -0.00856108025290691" free_energy=-534.31600531 pbc="T T T" config_type=melt 
Cl       4.76365004      12.10189994       2.17466999       0.18875346      -1.01303952      -1.20247769
Cl       5.60879006      11.00130002      10.33449997       0.33339519      -0.34365541       0.72413725
Cl       6.67109006       2.56321004       4.99243003      -0.54590714      -0.00419852       0.39093263
Cl       0.12369301       7.99835004       3.39197994      -0.63378910       1.67880654      -0.85127208
Cl      11.65690005       7.77221006       7.79681004      -0.15285187       0.12967100      -1.25543495
Cl       8.73364995       5.40496998       7.67356996       0.09178854      -0.39704079       0.07653626
Cl       6.47082002       5.43086996      12.13689995      -0.73025790       0.34573545       0.11256436
Cl      11.78099994       1.48461994       1.75936005      -0.25554496       0.56834884       0.52297692
Cl       6.31496995       6.73326999       4.06260996       0.01011052       0.26400681      -0.22379096
Cl       6.15837995       8.82705002       7.80631000       0.57970372      -0.63387677      -0.20759337
Cl       1.55834997       5.45578999       2.30446006       0.43162951      -1.46653922       0.12534246
Cl       3.54024000       8.15958994       0.79043400      -0.48757384       0.55275091       0.12510465
Cl      10.51410006       5.03823000       2.62626001      -2.96165476       1.57632689       0.68573148
Cl       7.99722003       9.91089996       1.46637004      -0.90313546       0.46127663      -0.77643918
Cl       2.48865995       5.06657994       7.19157999       0.83315865      -0.53615109       0.21259587
Cl      11.36770001       8.51262997       0.32331298       2.90180529      -5.09217570      -0.33035683
Cl      10.24030003      12.01290002      12.23270000       0.03323550       0.04773598      -0.34382879
Cl       1.60707996      11.75539994      11.15180003       0.04173555       0.78623104      -0.30532570
Cl       2.00913003       8.32577997      10.06299996      -0.07925439      -0.15992627       0.11328191
Cl       4.13819996      11.73339996       5.92564997       0.23921093       0.00626887      -0.54188207
Cl       1.08423006      11.50850004       5.55795995      -0.79725591      -0.25664361       0.16135617
Cl       3.03551001       2.90887006      10.45620000      -1.97993519       0.40551812       0.31606259
Cl       2.80246995       2.24752002       3.38049004      -1.69004191       0.16495246      -0.00783229
Cl      12.62012481       2.00318000       7.55428997       0.72814083      -1.49142629      -0.34460136
Cl      10.62780005       3.42272002      10.40550001      -0.06399359      -0.41205095       0.14185567
Cl       9.93556999      12.50609998       8.04860000       0.62125159      -1.84040995       1.42255994
Cl      12.40980004       5.70386003      11.71520004       0.63565221       0.67981984      -0.15128927
Cl       8.31884998      11.47980001       5.22882995      -0.18995888       0.29612820      -0.58897749
Cl       5.52692999       2.74251003       9.08315999       1.60553841       0.03712221      -1.64882375
Cl       7.43945000       1.32470995       0.32928699      -0.78884789       0.36799991      -0.28518322
K        9.03186003       1.83043997       6.73163997      -0.18247561       1.70407989      -0.83872545
K        8.37466998       1.56592005       3.06778999       0.18804145      -0.44069326       0.34419932
K        1.90656001      10.35069997       3.39939000       0.53072582      -0.95232313      -1.41704517
K        1.19006996       6.53660995       5.21824996       0.09537602      -0.50517699       0.70302436
K        4.48965994       4.36453000       4.22091996      -0.12531683       0.37792217      -0.26026655
K       11.89359996       0.79888005      10.25420000      -0.48800160      -0.10056845      -0.13482114
K        3.74428006       9.97242996       8.28846000      -0.55799275       0.21793516      -0.01276647
K        5.21663004       9.52464000       3.54855000       0.66652110      -0.10269683       0.29659422
K        0.41708194       2.98410997      12.03679996       0.40434765      -0.11311329       0.27143977
K        7.87211002       3.55854000      10.55470001      -0.42792720      -0.31833814      -0.70437874
K       11.85400002       4.43840996       7.75113994      -0.60265047       1.82716139       0.45961749
K        9.20717003       5.22050998       0.12313205       0.84934949       0.40265385      -0.16225233
K        4.78628001       0.91542500      10.98679995      -0.07744144      -0.28037630       1.11677141
K        5.71691004       8.18135000      11.33299998       0.25282755      -0.10028617      -0.34536587
K        5.96375997       5.90695004       6.83332998       0.25098937       0.04116702       0.46290683
K        3.03736000       5.44492996      11.76700001       0.06998630       0.32168267       0.06329457
K        9.12730003       9.34781003       7.04064004      -0.08358465      -0.06940009       0.32418887
K        6.41286002       0.08903489       7.30805995       0.23349293      -0.21010211       0.12196600
K        9.25348994       8.10566006       3.02035003       0.61010581      -0.77211783       0.59949051
K        0.38451699      11.67219998       8.05732003      -0.49000823      -0.11531147       0.94659830
Li      10.56010006      10.03399995       0.40322904      -3.16087613       5.24671252       0.29182515
Li       9.50866993       1.19920001       0.63091297       1.27023175      -0.42369311      -0.52564857
Li      12.30090001       7.70314999       9.70859998       0.68809411      -0.36559947       1.63370451
Li      12.06289997       4.03688994       2.50702002       3.09988942      -1.75076814      -0.36545565
Li       1.98261001       9.81428995      11.81220002       0.21971187      -0.87807514       0.06642981
Li       4.27533004       0.91146795       3.56601997       1.02873882      -0.44964233       1.14887965
Li       0.99634701       0.35087794       4.14231994      -0.07617547       1.84762796      -0.51214198
Li       6.25870004      11.01939999       0.33634002       0.29686477       0.53257915       0.09166424
Li       3.57089994       3.11960006       8.14786997      -0.66472118       0.32587099       0.23437850
Li       1.34836002       7.24883995       1.15513999      -0.83322976       0.38132389       0.03596521
60
Lattice="12.62016507 0.0 0.0 0.0 12.62016507 0.0 0.0 0.0 12.62016507" Properties=species:S:1:pos:R:3:forces:R:3 energy=-534.91175465 stress="-0.01718874662910073 0.002324599037115097 0.0008277458756936569 0.002324599037115097 -0.00935096206342047 0.0012965622909681146 0.0008277458756936569 0.0012965622909681146 -0.012938710315001996" free_energy=-534.91175465 pbc="T T T" config_type=melt 
Cl       7.67620001       8.58707998       3.70462005      -0.76537508      -1.53144752       0.75068987
Cl       6.94098995      12.28600001       4.82843995      -0.27101427      -0.57157796       0.45582842
Cl      12.11240005       5.08877994       6.35373998       1.48300160       1.96435585      -0.11510577
Cl      10.79430003       8.83864997       9.99755002       0.00845522      -0.18769743      -0.42723669
Cl      12.53420004      10.94140005      12.38099994       0.32831461      -0.51985236       0.54092421
Cl       8.36564000       8.07827001       7.02020004       0.24740438       0.48499419       0.90601226
Cl       1.91827001       7.30300002       1.81267002       0.27885190      -0.23073710       0.61739124
Cl       8.15261995       1.64252004       9.39741005      -0.12714075      -0.27982737      -0.31901161
Cl      11.52260004       2.15414001      12.23030003       0.59918458       0.83848509      -0.25545756
Cl       8.89798999       4.12186997       6.66023002      -0.30077055       3.35251419      -0.94090241
Cl      11.04080000       1.09180998       7.06835998       0.34506057      -0.43925912       0.51010290
Cl       2.48306998       6.27007005       7.65211998       0.21472970       0.84021579       1.78343828
Cl       0.98305697       4.92061006      11.40840004       0.54968781      -0.27154584      -0.06769192
Cl       9.93385995       2.20232002       4.29347001      -2.21190988       2.35499861      -1.34805787
Cl       5.65291003       5.40390004       0.45178904       1.08942974      -0.40132235       1.51502836
Cl       6.43167997       5.97570003       9.96712002      -1.25968335      -0.68066519      -1.57135426
Cl       4.66881000       2.30028998       4.64246995      -0.09711133       0.25552869       0.40297904
Cl       4.42527994       2.11571994       1.01131996      -0.75940061       0.65473390      -0.44447542
Cl       4.52475006      10.23240006      12.04699995       0.55319158      -0.52115255      -0.31656396
Cl       5.04424994       6.23865000       5.54185005      -1.24873327       0.21085696      -0.53490239
Cl       3.50868997      10.96299996       3.38768997      -0.05399848      -0.44534792       0.37026315
Cl       0.26035401       2.15896003       4.15190003       1.10921901      -0.09598390       0.19030974
Cl       8.19029997       9.81607999       0.46071503      -0.21530014      -0.03242456       0.02076759
Cl       9.87329995      11.00880006       3.74748999       1.14082025       0.26327132       0.28654971
Cl       7.56330998       4.92915997       3.56336999      -0.97766180       1.13083064       1.44303472
Cl       2.03970995      12.27099993       6.21677004       0.40772381      -1.29434778       0.57762293
Cl       2.17688004       0.52089895      10.66440004       0.12982063      -0.50686534      -0.80096801
Cl      10.25459994       6.79521998       1.51188000       0.05276274       0.78507397       0.04658220
Cl       7.87110003       1.21614006       0.37702301       0.33821278      -0.49413569       0.53220202
Cl      12.52400004       8.90562999       5.88040996      -1.43204418      -0.95383439       2.34011803
K       10.69179994       0.06373499       1.11475003      -0.61822481      -0.40384930       0.64825209
K        2.90298994      12.12370002       0.72383398      -0.89502044       0.09421110      -0.11364866
K        4.00446003       6.72454996      11.59989994      -1.22051360       0.70422591      -0.89540878
K        7.28633004      11.70970005      10.92520004      -0.15730041       0.03864884       0.27402222
K        2.15461996       5.53478995       5.19902996      -0.14321476      -0.66676060      -1.47489003
K       10.18880004      10.34690004       6.86254995      -0.19754680       0.44305849       0.10541278
K        5.68569002      12.61129663       2.24291997       0.45062984       0.13433515       0.09879505
K       10.02990004       7.10536003       5.38897997       1.36287737      -1.12974679      -1.49725775
K        9.44275999       4.26664005       1.98656997       0.92995397      -1.95965333      -1.04994906
K        4.77235000       8.64360999       1.99460005      -0.08282185      -0.22819592      -0.01319028
K        6.47778005       2.96484995      11.38059996      -0.50040588       0.61018440       0.04782596
K        8.45273997       7.17756000      10.98740004       1.24752876       0.91755248       0.84531001
K        5.89479998       7.99387001       7.49819005      -1.96441230       0.26795947       1.42815123
K        6.01872003       4.07736003       6.96699002      -0.10771472      -0.74035514       0.33085244
K        2.31424006       9.20759003       6.69591998       1.35242731       0.22846880       0.52471458
K        0.87807600       3.89338996       1.64358997       0.00870890      -0.18172704       0.04199127
K       11.69189993      12.05100004       9.86527996       0.30333801       0.33175731       0.31806028
K       12.51889998       7.43262994      12.46340003      -0.16442657       0.85832650      -0.49861245
K       11.95100000       5.71949995       9.02745004       0.20426029       0.27576444       0.44720211
K       12.56201349       9.39974996       3.50263999       0.25732075       0.82741662      -3.56811838
Li      10.99470005       3.60937996       5.94574998      -1.51133910      -2.59154444      -1.12603840
Li      10.76329999       0.56082499       4.75890006       0.90036555      -1.88163796       0.33152081
Li       5.81516005       3.73905001       3.07865002      -0.63289725      -0.47366559      -0.33526637
Li       8.30210000       8.03034001       1.74502998       0.51259583      -0.27594671      -0.45536905
Li       0.67844102       1.13237006       6.26429998      -0.94429113       1.23997039      -0.38274207
Li       7.68525005      10.59230003       3.41006994       0.32205658       1.56823799       0.16604274
Li       1.96372999       2.39156002      11.44329997      -0.48428021       1.01321290       0.24004603
Li       4.11170998       0.09379092       5.96934994       0.84647240       0.56240181      -1.09028091
Li       6.91001994       6.83301005       5.04238001       1.39055221      -0.04335820      -0.99751458
Li       9.01696003       2.50807999       7.56414001       0.37959484      -3.21712640       1.50197035
60
Lattice="12.62016507 0.0 0.0 0.0 12.62016507 0.0 0.0 0.0 12.62016507" Properties=species:S:1:pos:R:3:forces:R:3 energy=-535.39037317 stress="-0.01153720857614951 -0.003284744117269796 -0.0014310906489542505 -0.003284744117269796 -0.008663419637885656 0.0026429332790324036 -0.0014310906489542505 0.0026429332790324036 -0.011173400128046606" free_energy=-535.39037317 pbc="T T T" config_type=melt 
Cl      10.70429996       8.56411002       4.77416995      -0.29898258       0.05952352       0.47121086
Cl       5.08720002       4.38409996       4.95533003       0.11757020       0.70546933      -0.41197095
Cl       1.61616005       3.27012001       2.76194004       1.02364152       0.29261129       0.04406115
Cl      11.61029997       7.95127998       8.81582994       0.23113887      -0.11503046       0.90914460
Cl       8.02689004       1.24373998      12.54789999      -0.02440544       0.50035209      -0.45788143
Cl       7.04358003       9.44376001       5.55664997      -0.25409967      -0.04927579       0.23570854
Cl       0.79047603       8.28594000       2.28178996       0.25757587       0.09065269       0.41406879
Cl       6.51057998       7.16287000       9.02124004      -0.75473164       0.39385836       0.13907943
Cl       8.05242000       4.51416994      11.16330003       0.18712246       0.03564349      -0.42335563
Cl       9.38457005       5.92848004       7.55661006      -0.13028476      -1.48506779      -0.61253509
Cl       2.84298005      10.10130001       9.65677994      -0.36168927       0.29711790       0.21409275
Cl       8.02757998       9.40944994       0.77650904       1.32403952       2.30717312       0.23757755
Cl       1.00971000      11.90719995       6.21518003      -0.42190158       0.64008194      -0.39388588
Cl       9.04696006       0.95548103       6.25740003       0.25040505       0.12961018       0.11470023
Cl       2.50815003       5.73431994      12.38409996      -1.54988321      -2.09674831       2.39608000
Cl      12.21850005      10.84169998      11.90750006      -1.00922794       0.27466706      -0.15183051
Cl       2.71780997       7.35739003       7.58176003      -0.62370939      -1.00962318      -0.68997096
Cl      10.91679994       5.40928001       0.18679699       1.30803492       3.71989280       2.09642060
Cl      12.26630006       2.14852997      12.48750000      -0.38669407       0.04579166      -0.12269878
Cl      11.48489995      11.95079997       3.06594997       0.90782128       2.12207233       0.00953973
Cl       4.68506995       2.44004001       0.31327503      -0.98942416      -0.61350274      -0.20944782
Cl      11.90340002       3.65241005       5.60714994      -0.70348260      -0.31106371       0.31627409
Cl       8.75453001      10.99870001       8.85967996      -0.03262773       0.54023667       0.57631265
Cl       5.71990001       0.56629205       5.60256996      -0.79069007       0.15842349      -0.42770136
Cl       2.17709004       3.98511003       8.26125004       1.80756704      -1.26481722       1.72454187
Cl       3.70576003      10.27599995       1.36155995       2.11911991      -1.17969222       2.92546136
Cl      11.31770005       1.47952000       9.12911001       0.25449513      -0.24739957      -0.34764905
Cl       5.14059998       0.69942898       9.22112995      -0.56916073       0.14163048      -0.05937553
Cl       6.26660001       7.01993994       0.59106606      -2.71460320      -1.67631931       1.44488092
Cl       8.54308003       3.47367999       3.34705001       1.29485177      -0.03735758       1.17212991
K        9.63490995      12.14159996       1.23264004      -0.12945921      -0.53880640      -0.61442230
K       12.22129996       4.26246000       8.57201996      -1.62876160       0.69546861       0.31933862
K        1.81431998       0.48573299       8.63404997       0.45230371       0.10856859       0.77623213
K        1.93355997       4.57719997       5.79519002       0.43589334       0.84937332      -1.76149356
K        2.48338005       0.12297101       3.81676006       0.05351642       0.16627479      -0.36456668
K        9.28793000       8.70614998       7.30716997      -0.14856179       0.26397406       0.21841412
K        3.41475000       7.01646005      10.56319995       1.49343526       2.04235160      -2.74325405
K        0.60308904       9.20852998       6.87456005       0.04199566      -0.51608933       0.27256936
K       11.62419994       2.60082003       2.92698996      -0.92079103      -0.51047761      -0.35076946
K        5.74006994      12.23719998       0.31428906      -0.00305602       0.05702979      -0.45462259
K        4.66935999       9.14304003       7.76938996       1.18510933       0.65113671      -0.19166711
K       11.27289998       6.54225003       3.03261999       0.26257197      -0.76852364      -0.46259527
K        6.43301001       3.87910999       1.81079000      -0.44112255       0.44131156      -0.72576799
K        8.12074999       5.94451005       4.79333999      -0.33543095       0.67847005       0.35473812
K       12.45110004       7.96429995      12.14939997       0.05317367      -0.24431643      -0.48321622
K        4.85795006       3.49264999      10.24580002      -0.02420635       0.27255411       0.07516070
K        7.83854001       1.57046003       9.39289002       0.82302940      -0.21751593       0.12405060
K        2.37143995      11.22539995      12.23379998      -1.87435026       1.57399065      -2.29223289
K        6.25593004       9.46773996       2.88636994      -0.49117200      -0.06789342      -0.26420789
K        3.52205005       6.65687003       2.53396004      -0.30588363      -0.06464033      -0.41606963
Li       8.32013005       6.24133999       9.51040003       0.37996256      -0.76359207       0.17722635
Li      10.38359998       3.87994999      11.98739996      -1.44935483      -3.71026259      -1.74713983
Li       7.90603997       7.66008002      12.43540005       1.40501070      -0.55256681      -1.43250351
Li      11.69659994      10.28699994       3.99364000       0.52260520      -1.65020265       0.58584807
Li       7.10482998      11.60869998       6.28532000       0.61596963       0.28189418       0.33425541
Li       1.32763998       3.53021997       0.07362415       0.45121176       0.40803435       0.62147203
Li       8.81371000       3.14296995       5.77472996       0.52438773      -0.49870843      -0.30025758
Li      10.36780004      11.25509999      10.58050005       0.13209805      -0.00980592      -0.54098297
Li       5.02275995       2.64917003       6.13926002       0.12864528      -0.77437026       0.29447475
Li      11.71990004       1.02339001       6.87013000      -0.67655495       0.02842890      -0.14099279
60
Lattice="12.62016507 0.0 0.0 0.0 12.62016507 0.0 0.0 0.0 12.62016507" Properties=species:S:1:pos:R:3:forces:R:3 energy=-535.88188786 stress="-0.008571930804446801 0.00010697638935364 -0.0017916479573685713 0.00010697638935364 -0.00689872872098272 0.0027402019122010645 -0.0017916479573685713 0.0027402019122010645 -0.004209259442715244" free_energy=-535.88188786 pbc="T T T" config_type=melt 
Cl       8.73892997       0.55069403       6.36019002       1.40990756       0.71196127       0.61051116
Cl       5.58572002       9.54355005      11.33879996      -0.12999964      -0.21364841       0.36908235
Cl      11.97660000       1.56407006       3.79059997       0.08127514      -0.20563920      -0.09672840
Cl      12.39830004       2.59533998       9.75949004      -0.45223004      -0.00722319      -0.31211273
Cl       7.88651998      11.17170001       1.40583995       0.20100168       0.58408429       0.18180883
Cl       2.57717994      12.05600003       5.51182996      -0.39027514       0.09928379      -0.63710226
Cl       4.04224998       5.49168994       0.33852495      -3.10195150      -0.41747220      -1.15685207
Cl       8.60964004       2.57156005      10.55109999      -0.31884648      -0.29647158      -0.37602239
Cl       9.14497003       6.43704001      10.61610002      -0.03185408       0.11971553       0.16949320
Cl      10.76270002       3.55530999       0.79003899       0.16436151       1.92835540       0.90091606
Cl       2.60418999       6.80844995       3.32343995      -1.02570249       0.49840666      -1.61739141
Cl       6.77481999       8.75467994       4.56123004      -1.25400028      -1.46115817       0.00826906
Cl       6.35557003       4.64198004       6.13397999      -0.05026459      -0.59767328       0.09313719
Cl       2.67108002       0.61536404      12.33170003       0.41941420       0.32716644       0.79331576
Cl       2.71410999       6.35861994       8.61208002       0.69828925       1.23461735       0.17233205
Cl       7.05127000       7.40071998       8.39513005       0.46111570       1.92552483      -0.75356665
Cl      11.99919994      10.86360001      12.42569994      -1.04532773       0.24756850       1.11675920
Cl       5.87603000       0.56540094       5.48667999      -1.18434518       0.36096849      -0.56981265
Cl       5.42958005       0.35910200       8.81745996      -2.07538389       0.06423941       0.24743110
Cl       3.47756006       9.71168006       7.94261005       0.35135893       0.58807298       0.03302781
Cl      12.27610000       6.23705999      12.13089995       1.32010817       0.16277569      -0.31006922
Cl      11.51400003       6.28017994       6.91281001      -0.72215339      -0.76798473       0.12903825
Cl       3.06035999       3.78333997      10.34300003       0.04035063       0.79498265      -2.06588631
Cl       8.11035994      11.34929993       9.46669993       0.11354404      -0.41371149       0.44079433
Cl       2.62753995       8.44958997      11.90789999      -0.05284682      -0.27062823      -0.20392915
Cl       6.88859002       3.18159006       1.26413001      -1.05010561      -0.45959848       0.30142498
Cl      12.09780003       8.20994995       3.92904003      -0.04972997       0.42078238       0.58039316
Cl      12.34249998      10.35249998       7.93955004      -0.81548779       0.56110572       0.97980376
Cl       2.71159996       4.00735005       5.00289997      -0.26677749      -0.59068894       1.02663616
Cl       8.13686001       6.60214004       2.10940998      -0.64789199      -0.72676018      -0.33677556
K        4.14460002       6.52261003       5.29652994       1.47344148       0.20443761       1.68957961
K        2.39747005       1.23956006       9.63492005      -0.06881376      -0.72149708      -0.61130829
K        0.15159405       4.50977005       3.29098001       0.23250876       0.32254242      -0.07084938
K        4.54475996       8.40594995       1.73751000       0.11493000       0.25427052      -0.14631998
K        3.99427997       2.40500000       3.15400995       0.53488579      -0.57677919      -0.19303765
K        6.39952000       0.42993104      11.68839998       0.20301218      -0.10330425       0.41201490
K        5.73812997       5.32084004       9.02251000      -0.59032259      -1.40295452       0.70492413
K        9.74615002       9.05647995       8.80085006       0.05868321      -0.50120222      -0.36638237
K        1.15233995      10.43359994      10.54270000       0.69207935       0.03862189      -0.71218368
K        0.98135300      11.24449994       2.48562998      -0.13053474      -0.14717943      -0.02370301
K        9.05357000       1.23660000       3.31012000      -0.43362425       0.12711779       0.19604549
K       10.82280002       7.38211003       1.65734002       0.01435663       0.33224412      -0.58648219
K        0.85615604       8.25447995       6.91054002       0.98944667      -0.69137387      -1.03306965
K       10.08930000       3.65712999       7.83452995      -0.46862850      -0.32770180       0.37064055
K        8.88422997       6.66725996       5.25160998      -0.35867175       0.21409516       0.00162691
K        7.95392996      11.00810002       4.72720994       0.46448570       0.98060175      -0.24969958
K       10.68820003       1.08962000       0.27364102       0.06765850      -2.14506468      -1.09545176
K        8.48072001       9.26647004      11.70569996      -0.04254980      -0.00463469       0.41334792
K        1.00824001       4.41883999       7.85829006      -0.09618032      -0.46784524      -0.34109601
K       12.56859996      12.59380003       6.42005995      -0.56062340       0.72423590      -0.33922530
Li       4.35400995      11.10119998       6.29257004       0.44719386       0.39218144      -0.01051482
Li       5.74243003       5.54901995       1.03607996       3.97005809      -0.41912402       1.45646189
Li       3.99653002       8.28353005       9.45320002       0.00554985      -0.64100746       0.80079026
Li       8.70731002       4.19236003       1.03304999       0.22179935       0.94596809      -0.26384190
Li      10.82609995       5.14904994      11.00050003      -0.07917766      -0.64863484       0.21172467
Li       1.98534001       6.35822001      11.28070000      -0.15652938      -0.06354202       0.15994173
Li       4.94161998       2.80470006       6.57719994       0.41460747      -0.36048738      -0.63561432
Li       3.38080996       3.28300002      12.16769997       0.28148099      -0.62709887       2.01894663
Li       7.43732994       0.67642999       8.70126004       1.72963049       0.41785177      -0.57932492
Li       5.47446998      10.48089994       9.47041001       0.47429510       0.69430978      -0.89586552
60
Lattice="12.62016507 0.0 0.0 0.0 12.62016507 0.0 0.0 0.0 12.62016507" Properties=species:S:1:pos:R:3:forces:R:3 energy=-534.45662026 stress="-0.011323700255307084 -0.0031052192095499588 -0.004259268492254359 -0.0031052192095499588 -0.00761653979441216 -0.0039025818931735096 -0.004259268492254359 -0.0039025818931735096 -0.012654080303504078" free_energy=-534.45662026 pbc="T T T" config_type=melt 
Cl      10.50500004       9.72534000       1.48668005      -0.80431554       1.71401652       0.14862121
Cl       4.43789998       9.04576001       7.71338999      -0.16167823      -0.23530699      -0.79767059
Cl      11.36729995       5.33213004       0.96727394       1.69507177       0.79638639       0.81464055
Cl       1.65800006       8.57595998      11.21660003       0.01068777      -0.40728205      -0.79052962
Cl      11.48429999      11.43610004       6.97295999       0.66098863      -0.93713903      -0.99394680
Cl       1.97788994       6.26765998       8.31148006      -0.14951989      -0.44506380       1.11876525
Cl       4.02570002       4.13822002       5.04665005       1.11733272      -0.33512538       0.44553916
Cl       6.57993006      12.46860004       5.50120997       0.22657005      -1.34779083       0.00938582
Cl       8.87016000       1.79382004       0.11805597      -0.68728443       0.03494662       0.48248907
Cl       2.74890000       0.18491205       1.05906002       0.51719450      -0.43027065       0.38466187
Cl       7.30490996       5.38355999       6.71373006       0.33702099      -0.43457021      -1.15986166
Cl      11.54569999       7.64388002       6.31486002       0.47967194      -0.78966936      -1.39730111
Cl       1.26442002       8.87192001       2.26767998      -0.20407416      -0.58806962       1.22663257
Cl       3.96988999       6.94857997       3.13091997       0.15690518       0.86993178       0.30953385
Cl      11.74760004      11.06879998      10.13349999      -0.42307365      -0.36202420       0.33299546
Cl       2.77378002       3.65086004      12.12609999      -0.24729400      -1.07412388      -2.01314107
Cl       8.52037004       6.72734002       2.62130003      -0.40495987       0.06025098       0.64408694
Cl       3.81847994      11.84519998       9.09991995       0.64938551       0.63189320       1.65489315
Cl       1.12690994       3.17190004       3.98050001       0.29312541       0.05236367       1.51757565
Cl       6.73130995      12.10949993      11.08440002      -0.45838988      -1.09002645      -0.01066094
Cl       1.69745006       0.56446301       7.08748003       0.56600574       0.12208633      -0.59668887
Cl       8.42490998       6.56018998      10.88879995      -0.18066321       0.22132164      -0.31578312
Cl      11.28779998       2.66268004       8.03375995       0.69076047       1.38839152       0.51974579
Cl       7.88364006       9.18660004       8.05540997       0.43375222      -0.34205267      -0.38888983
Cl       5.99351996       9.55493003       1.52548996      -0.45447127       0.46087666       0.27475639
Cl       6.45627995       2.89877998       2.84274998      -0.12348573      -0.31966105      -0.62024097
Cl      12.11079994       1.23005001      12.21410003       0.44809237      -0.83379063      -1.62921312
Cl       8.66164004       1.09609995       9.20734999       0.02611405       0.45680449      -0.06446015
Cl       4.50920000       6.91173994      11.14420004       0.74449114       0.06357505       0.33395651
Cl      10.19010004       1.57660996       5.29000002      -0.15675339      -0.12112381      -0.38056706
K        2.39911004       6.51456997       5.66517998       0.08607187       0.03558629      -0.83086200
K        5.86046000       6.23109002       8.90028005       0.03052067       0.31189375      -0.11213701
K        0.29467202      10.14990002       0.17269800      -0.84236510       1.69008589      -0.48708383
K        8.82975995       9.67874004      10.90740006       0.38452616       0.07180119       0.05200836
K        9.72416001       9.25519998       5.15960002      -0.17395740       0.75182681      -0.55192336
K        9.03037994       4.56081004       0.31559600      -1.41403869      -0.08631632      -0.13520914
K        0.29598906       8.85316998       8.20112000       0.77078749       1.16471963       1.46740594
K        0.09523492       2.63256997       1.66921005      -0.40627375       0.47510057      -0.44332608
K        9.92957995       6.27842006       7.93356997      -0.85614294      -0.84045807       1.28785419
K        3.33909994       4.57711996       1.78897996       0.02821169       0.11751977       2.01634772
K       11.42960003       5.06795995       4.76264005      -0.13619577      -0.67178687      -0.39402342
K        5.61468002       1.66369995      12.61980287      -0.06666867       0.23778530       0.06319252
K        4.37364996       1.10173006       4.60536995      -1.16824832       0.69016128      -0.61675437
K        1.18591994       3.04412996       9.45245000      -0.06703179       0.03062220      -0.10600075
K        6.83349000       2.23200997       6.81384002       0.57600168       0.61290802       0.75410827
K        8.07786995      11.83709998       1.01944999       0.26317719      -0.29523804       0.54934459
K        5.76198006       6.76340997       0.88332296       1.09108023      -0.15475807       0.53161945
K        6.11163006       8.18295996       4.71244006       0.07787743      -0.05036714       0.08912775
K        4.16885005       9.90035001      11.50389999       0.46992722       0.34425906      -0.16465298
K        8.85110002      11.84590002       7.22351999      -1.07480007      -0.51049823      -0.58679129
Li       0.38470201       1.11403005       5.37746003      -0.76383306       0.47311856       0.12491011
Li       3.18995003       9.55645998       2.30750001       1.03351406      -0.18434193      -0.02673143
Li      10.17780005       1.52299004      11.07190000       0.25767526      -0.35745821      -0.70283698
Li       6.53669994       4.14596994       4.56141997      -0.48550055       0.87077093       0.30203517
Li      10.58580001       0.65282599       7.83341003       0.74073746       0.76623869       0.23473716
Li       6.13564005      10.48070004       8.37318005      -0.86106703       0.30662007       0.23663041
Li       2.57120997       6.76608002      10.57699997      -1.14001007      -0.44028092      -0.65541091
Li       3.05375006      11.34670005       7.27766996      -0.38605879      -0.23493074      -0.39771640
Li       2.28975000       0.45028497      11.61310000      -0.64730253       0.24244060      -0.39908186
Li      10.23840006       7.78726995       1.68156998       0.08217894      -2.14677828      -0.15810414
60
Lattice="12.62016507 0.0 0.0 0.0 12.62016507 0.0 0.0 0.0 12.62016507" Properties=species:S:1:pos:R:3:forces:R:3 energy=-535.67889716 stress="-0.011597520790636669 0.00437757305839224 0.0007751391162978578 0.00437757305839224 -0.007713945447430661 0.0034229846814651512 0.0007751391162978578 0.0034229846814651512 -0.007580861736663784" free_energy=-535.67889716 pbc="T T T" config_type=melt 
Cl       4.36531005       0.26884195       9.05932000       0.11499483       0.10373748      -0.38879675
Cl       4.26196995       8.18325994       7.69916997      -0.27730352       0.02602480      -0.43348809
Cl       2.12380997       4.58177996       1.03950003       0.12830796       1.40616298      -0.42039772
Cl       7.30033994       8.04083002       4.43328996      -0.26341590      -1.79931224      -1.29441636
Cl       1.21616000      10.38409999       8.94612002       0.48983404       0.01246737      -0.66452881
Cl       5.49817999      11.26059999       4.20773000      -0.46941311       0.79832223      -0.29603764
Cl       3.58145002       0.68178296       0.56933805       0.80055085      -0.70221555       0.91865069
Cl       6.85496005       6.01047994       0.60346298      -0.67800912      -0.23455341       2.56388315
Cl       7.94082998       3.82186997       5.23973996      -1.16893838       0.48404168      -0.28682560
Cl       0.93037296       3.44197006       9.94337998      -0.71597949      -0.15404647      -1.02519173
Cl       0.83718894       5.48441997       5.46158997      -0.36639866       0.25097811      -0.29916073
Cl       9.79870998       7.19689005       6.18115001       0.34357551       0.20752302       0.20393869
Cl       3.21988002       8.07953998       4.01177001       0.02410690      -1.29641334      -0.86448582
Cl      10.75319994      10.44070004       3.25328004      -0.83768332      -0.01749450       0.22718891
Cl       9.40917003       8.89253000      10.93949995      -0.21573348      -0.19356632       0.96948714
Cl       2.63330004       1.85788997       3.82359994       0.61696963      -1.25176125       1.70008080
Cl      10.45430004       0.31150505       6.05607004       0.84764218       0.98865048       0.44934673
Cl       6.91445997       2.43370999       0.98176997      -0.76260370      -1.25819935       0.70840392
Cl       6.33277006      10.69050006       0.08569445       0.22004056      -0.10456840       0.10454803
Cl       8.18322006      10.92630002       6.56258995      -1.08673300      -0.31723296      -1.02283909
Cl       2.03893999       8.65461995      12.29079996      -0.15855052      -0.39864876       0.21343136
Cl       0.57850105      12.06200003       1.04466004      -0.40297815      -0.50000596       0.07014454
Cl       4.21989003       4.27524006       6.01499998       0.39506070       0.34214057       0.18199537
Cl      11.40989995       2.92206999       2.55306999      -0.07503273      -0.29641100       0.61144743
Cl      10.59399997       4.54393006      12.26240005       1.46240396      -1.94365552       0.50838618
Cl       1.63826994      10.72289993       5.02593998      -0.03142347       0.56638784       0.32156266
Cl      10.13400000      12.07809995       9.83526996       0.02041665      -0.02226904       0.38274157
Cl       5.40637006       5.91170002      10.42459999      -0.79575552       0.27699969       0.27625371
Cl       7.98308002       3.09406997       9.95982998      -0.53545245       0.65679980      -0.67181121
Cl      10.26070002       6.81854003       2.66802998      -0.64276177       0.19137911      -0.11940104
K       10.46770000       2.23074997       9.30670994       0.79065476       0.12331510      -0.30536074
K        6.48240004       9.69416995       9.91260999       0.18676230      -0.25904728      -0.22057081
K        5.08955003       5.66215998       3.74236002       0.30623122      -0.09043106      -0.51243672
K        4.25645999       6.98673994       0.41839305      -0.34862975      -0.11399352      -0.12484207
K        2.59004001       2.38761004       7.01747005      -0.72383367      -0.48762622       0.39221255
K        8.97408996      12.49240003       3.83406004      -0.88004293       0.85042409      -0.53642533
K       10.59800005       3.81238995       5.31968997       1.26336420      -0.03212337       0.02224165
K        8.83829005       6.16788003      11.67530000      -0.31171569       1.29786850      -2.16651782
K        1.90417001       6.11229994       9.52585002       0.32503866       0.50160497       0.17087037
K        6.55750996       1.55094004       6.62060006       0.05730366      -0.10471918       0.34898826
K        3.77955001      10.75350005      11.34839999      -0.76149823       0.58432726      -0.02882481
K        2.92938994       2.68430999      11.58049997       0.60697115       0.41672265      -0.36020470
K        6.10232004       5.52104003       7.83979003       0.54734296       0.05665760      -0.41829613
K       12.38719998       9.96893997      11.09339996      -1.05260747       0.29492032       1.07556138
K        0.51959302       9.26429003       2.87796996       0.83903858      -0.29039910      -1.01431179
K       12.57089998       0.30881594       3.92765004       0.12138887       0.36945927      -0.35740633
K        8.56340998       9.16248997       1.60829995      -0.22796539      -0.29142290      -0.56173970
K        9.64454002       9.46108005       8.33606995       0.94457337      -0.07682048      -0.27278761
K        6.51824004       1.09809003      11.16930003      -0.26591230      -0.65109362       0.15062797
K       11.34130001       1.43650001      12.57609836      -0.04498618       0.30394509      -0.05564905
Li       2.08623999      10.94679996       7.11757004       0.23928771      -0.06019720       0.43929165
Li       4.48422999       0.15953201       2.81575999      -0.58237386       0.51332717      -0.75581270
Li      12.19320002       6.27679003       3.18538002       0.78666752      -1.18852097       0.39579511
Li       6.76972005       9.76516002       4.92785000      -0.36266749       2.19991803       1.65882016
Li       2.48181995       6.97854996       5.81636994       0.28546359      -0.09384832       0.37546773
Li       9.74889995       9.67441006       5.16213995      -0.01420807      -0.54339770       0.32369278
Li       3.66715002       9.95981004       4.68727999       0.39841637       0.68884754       0.31833943
Li       8.53188001       6.36475006       4.34337002       1.05138331      -0.71869802       0.20874600
Li       2.33319996       2.94511997       2.19263000      -0.30256306      -0.35717340      -0.62078388
Li       8.16918997       3.95427001       1.18609006       1.14937835       1.33691367      -0.19279516
60
Lattice="12.62016507 0.0 0.0 0.0 12.62016507 0.0 0.0 0.0 12.62016507" Properties=species:S:1:pos:R:3:forces:R:3 energy=-530.4915793 stress="-0.011641067724909847 -0.0023475605942383255 -0.0027241831851351405 -0.0023475605942383255 -0.01589512578662139 0.00010203256487313736 -0.0027241831851351405 0.00010203256487313736 -0.014729708755964892" free_energy=-530.4915793 pbc="T T T" config_type=melt 
Cl       9.25750997       9.78271000      10.38090002       0.19502962       0.50183274      -0.90401885
Cl      11.87380005      12.27169997       7.91475003       0.03817447      -0.39865654      -0.32107601
Cl      11.98739996       9.58708003       0.31827501       0.44627131      -0.01888318       0.11246179
Cl       2.58476996       8.07982002       1.14135006      -0.29987534      -1.34378660       1.06357995
Cl      10.54799997       5.74571999       8.90561005      -0.42785435       0.72072243       0.07299476
Cl       3.95754002       8.94419999       3.92414000      -1.02072078       1.39412461      -0.43334151
Cl       1.91077994      12.06709997       3.33081000       0.89722518       2.12002782       0.39809506
Cl       7.55688998      10.30360000       3.14799997      -0.13199191      -0.15096320       0.32367292
Cl       8.30936000       3.44320002      11.96759993      -0.11939991       0.03680294      -0.58034639
Cl       4.63200001       7.51810001      11.34999997       1.21910468       0.05715860      -1.28241636
Cl       3.48997994      12.06079998       7.73486005       0.27445107      -0.93624513       0.54841149
Cl       7.59334004       1.71128000       7.97611003       0.39279392      -0.20008555       0.12087028
Cl       4.48045000       5.28030003       1.78114006       0.67918245       0.95013888       0.19119917
Cl       8.50506999       7.45553995      12.15480002       0.61184689      -1.53001764       2.62076383
Cl       1.48490995       6.70247994       8.48399002       0.20766072       0.84320892       0.53645993
Cl      11.14950000       2.71201996       6.00945001       0.41039178       0.57538756      -0.18264793
Cl       8.39305996       5.56000000       4.19409997      -3.87599329       1.59990860       0.74312137
Cl      11.10729994       7.33003999       4.24231998       0.82204905       0.03030774       0.52426389
Cl       3.08280004       4.08756003       4.45317000      -0.13889272      -1.03144169       0.78476307
Cl       3.54910996      10.75419996      11.92640002      -0.50857524       0.15694136       0.05942136
Cl       6.33364994       1.33354003       3.39238000      -0.90204652      -1.23601642      -0.35649615
Cl       0.06743497       0.49126895       0.00833499       0.08823208       0.11384667       0.49066703
Cl       7.68413998       9.80151998       7.04422997      -0.81280027       2.24048093      -0.51746955
Cl       2.08710006       2.12917998       9.81766004      -1.46326938      -1.06347964      -0.16866400
Cl       2.75407995       4.66272998      11.65159996       3.54884812       1.28160068      -0.69203314
Cl       0.21337001       4.94584004       0.70567395      -2.64511182       0.96801570       1.94844665
Cl      10.90150001       2.16485996      10.32479998       1.35731417       0.27168486      -0.19962697
Cl       6.63712995       0.18479102      11.78470005       0.32850543       1.31169102       2.37074314
Cl       9.30418994       2.37491996       2.72468001       1.73140712      -0.76817453       1.34931493
Cl       6.04360005       6.81044002       7.37531003       0.09235439      -0.85213838       2.14532168
K        3.49601995       8.80627004       9.10473000       0.26486935       0.25032061      -0.40249943
K       12.09299995       7.07461996      11.18840002      -0.15220238      -0.09558592      -0.05688833
K        5.62803997       8.58834995       1.12474003       0.12135175      -0.02631571       0.34453674
K        6.45566005      11.53219995       9.68727001      -0.34837411      -1.21054914      -2.45486336
K        0.59350201       9.98009002       3.11659999      -1.06496905      -2.28441218       0.12861127
K        0.49148400       1.88712004       2.43941998      -0.45247434       0.37700321       0.12183204
K        1.66922999       5.81499005       2.79359002       0.47502661       0.74928053       0.81138060
K        5.82356003       7.51923002       4.96332995       0.86445363      -0.41875490      -1.33041692
K        8.93887996       7.59609995       6.78619000       0.47538751      -1.95527335      -0.16194172
K        4.40913004      12.09589994       1.96519002       0.52042579      -0.42974629      -0.37152709
K       10.01829996       0.25747396       5.72829999      -0.80180424      -0.05748728       0.01309745
K        0.54799104      11.42360002      10.44410004       0.43490922       0.06929751       0.37993532
K        6.74850000       3.49567997       4.92729004      -0.33279181       0.12993714       0.97355551
K       11.55030004       9.52893994       7.63868997      -0.23171962      -0.58126773       0.22852926
K       12.53220000       4.96223995       7.12375998       0.22365646      -0.51965709      -0.76876907
K        3.16394997       1.05727995       5.59226004      -0.08146984       0.61131170      -0.37681689
K        4.13016003       2.80298006       0.80937902       0.40373201      -0.67726408      -0.28703606
K        9.87252999       7.94804000       1.74585004       0.05907106       0.35546320       0.48683830
K        8.65485002      12.20360005       1.22564999       0.19702497       0.43928774      -0.21993971
K        3.77955998       4.04862001       9.20419003       1.20851905       0.90961551      -1.02596902
Li       7.64946002       7.84013002      10.54760004      -1.26698587       0.79545003      -2.61647271
Li       3.39494000       6.45566005       0.01637492       0.28242654      -0.54550107       0.47390591
Li       8.18143002       3.36735005       1.45757000      -0.96223745       0.79264302      -1.05649707
Li       1.79618998       9.74590001       0.58646803      -0.60878231       1.96355479      -1.39770897
Li       1.08656996       4.04555999      11.93899999      -2.50057029      -3.18773620      -1.80011080
Li       9.15006996       1.10389000      10.30389998      -1.57449211      -0.23588604      -0.00914664
Li       9.78990993       3.76105995       9.38093998      -0.75193193      -0.02893532       0.10475262
Li       6.45601001      11.22420002       5.19344995       0.30222299      -0.45868792       0.00214658
Li      12.56954622       1.41417001       8.94410004       0.39641442       0.81271827       0.26493490
Li      10.08790005       5.15816006       3.72258006       3.90700305      -1.18681661      -0.76388814
60
Lattice="12.62016507 0.0 0.0 0.0 12.62016507 0.0 0.0 0.0 12.62016507" Properties=species:S:1:pos:R:3:forces:R:3 energy=-530.59966269 stress="-0.017033987705033924 -0.0028040472702421304 0.0011845113237592938 -0.0028040472702421304 -0.013751235365673364 0.0006079901849482787 0.0011845113237592938 0.0006079901849482787 -0.021885970694349055" free_energy=-530.59966269 pbc="T T T" config_type=melt 
Cl       3.71274996       6.61965998       6.55073003       0.06634343       0.08565830      -0.11256709
Cl       0.02482651       9.48979004      12.51897507       0.72199319      -0.28474811      -0.70767869
Cl       1.42736995       4.86843994       2.39294004      -1.49793585       0.09570904      -0.46167827
Cl       7.61330994       6.76779005       5.10472994      -7.71239673      -3.00609138       2.02413885
Cl       5.18089995       2.61150994      11.10530002      -0.80255081      -0.99594587      -0.26377739
Cl       8.06454003       7.80605002       9.59158997       2.37166616       0.62565068      -1.28189389
Cl      11.07160002      12.08400001      11.64509994       0.12689511       0.34108847       0.22110931
Cl       4.02122996       2.64763996       7.71397999       1.08483107      -0.31305508       0.39861472
Cl      10.64759995       2.13480996       3.57746003       0.58563047       0.43628486      -0.26179415
Cl       5.23858004       5.61563006      10.07809999      -0.47058127      -0.70489043      -0.37718537
Cl       4.51197997       8.78534000      10.14899995      -0.48674300      -0.09645957       1.32459250
Cl       0.20971004       3.21404003      10.21030000      -0.59979508       3.23860579       1.05674988
Cl      10.83870004      10.70360004       4.19245001       0.42133814       0.22691527      -1.65179907
Cl       7.84420999       2.20795000       5.57057001       0.00497050      -1.99160270       3.65069490
Cl       5.11524998       2.28223999       2.88363995      -0.97490722      -0.25912249      -0.23431122
Cl      11.45810002       7.85420996       5.52448004       0.05106473      -1.10360648      -0.22853543
Cl       5.64905003       6.20259003       2.02868005      -0.65187269       0.92860056       0.43375278
Cl       7.45518003       0.66760105       9.08896994       0.79227734      -0.40324375       0.01519915
Cl       2.54840003      11.94899996      10.95770000       1.13232421      -1.45471830       0.75375848
Cl       1.45243006       3.52934994       6.52631998      -0.43591536      -0.24723078      -0.81747163
Cl       1.92515002       6.38416997       9.37711001      -0.25913298      -0.20939894       0.43109425
Cl       1.48408005       0.84303296       1.03888000       0.05865685       0.60474387       0.53497600
Cl       7.56112997      11.39090004       1.03694003      -0.32836532      -0.62506724      -0.73802489
Cl       4.84425995      10.60700000       7.02599005      -0.89667797      -0.40382535      -0.24851530
Cl       9.76866994       7.59292004       1.46999001      -0.75613751       0.09049431       0.74818267
Cl       7.63683998      10.69480000       4.23270998      -0.06226641       0.57804176       0.78483649
Cl       2.58677997       9.57963994       2.99330994      -0.20796646       0.43341030       0.23020563
Cl       8.97434994       4.13716006      12.37229998       0.36153892      -0.02070102      -0.35080515
Cl      11.10610001      10.28740000       7.55609995      -3.47735666       1.34349339      12.68716897
Cl      10.64779998       3.18580002       7.16340004      -0.00635111      -0.47627319      -0.46646764
K       10.76740002       5.01757003       9.06490000      -0.28939497       0.62851670       0.78438613
K        3.67579004       4.91995002       3.74337999       1.08474277       0.29247565       1.27868855
K       12.27329807       8.48593996       2.34124002       0.30549490      -0.21310520       1.48530243
K        5.72762002       0.28212695       5.77917995       0.34701682       0.56878005      -0.24584462
K       11.65889997       3.68948999       0.31432301       0.22118660      -0.24441987       0.45851223
K        3.27713998       8.44807997       0.56279500       0.10754392      -0.36318424      -0.62859415
K        7.52587996       3.47960995       3.63639001       0.38794144       2.65331212      -3.33192325
K        6.29690999       4.29996006       0.28523706       0.48231138      -0.05468510      -0.24948671
K        9.94055003      12.51183004       1.93796996       0.45777673       0.20195475      -0.10616380
K        2.96753994       3.47002002       0.49852100       0.20239729      -0.39814910      -0.46280636
K        5.17235004       9.53357002       4.38355994      -0.35989474      -1.04580747      -0.04526046
K        9.83352005       8.74617004      11.53440002       0.50922949       0.50896406       0.12281421
K        6.11923005      10.71570000       9.39829006       1.15517885       0.92709838       0.34911050
K        1.63419994       1.40725000       3.92179000      -0.25915407       0.19957747       0.08239292
K       10.42209994       0.17976504       5.94071996      -0.79551771       1.28083480       0.41802235
K        6.27231997       4.70813999       7.39214003       0.27997240       0.52910627      -0.62906286
K        2.47475001       9.06448997       8.12750001      -1.04227021       0.97256770      -0.43592992
K       11.92469995       4.79806005       4.87965005      -0.34104146      -0.22209784      -0.17883352
K        1.16345996       1.08751004       9.65436999       0.42285265      -2.33438460      -1.61198533
K        4.99587003       0.10144404       0.74638105      -0.30263194       0.15368908      -0.35946295
Li       4.07572004       7.34717994       8.69582996       0.23966732      -1.83032789      -0.16693206
Li       1.07170997      11.43300002       0.27573496      -0.06128249       0.01100404      -0.68260387
Li       8.42115005       9.72311001       2.51133006       0.24544934      -0.40728603      -0.55110669
Li       9.70581004      12.30959997      10.10719994      -0.72656443       0.46597219      -0.67062692
Li       6.07134006       2.34698005       8.88141000      -0.57637649      -0.44632303       0.69591985
Li      11.56379996      10.22380004       6.06741998       3.73449077      -1.87537781     -11.43882322
Li       1.38155004       5.37145006       7.52505006       0.29917834       0.56952871      -0.31302379
Li       2.89458996       3.96037994       9.32550995       0.22573568       0.16038257      -0.00264239
Li       6.33463002       7.37133998      10.15720003      -2.06865436      -0.14119661       1.11661706
Li       9.13880003       7.29200003       4.73070005       7.96203846       3.01986436      -1.77322275
60
Lattice="12.62016507 0.0 0.0 0.0 12.62016507 0.0 0.0 0.0 12.62016507" Properties=species:S:1:pos:R:3:forces:R:3 energy=-535.98970248 stress="-0.01594170020858664 0.0038494049781605706 -0.0035777507270938706 0.0038494049781605706 -0.008438674141462045 0.001453978350299992 -0.0035777507270938706 0.001453978350299992 -0.014663611704850064" free_energy=-535.98970248 pbc="T T T" config_type=melt 
Cl       3.22467997       5.48109999      11.14069996       0.79775480      -0.06103406      -0.46640750
Cl       7.63921005       0.91812105       9.75521003       1.06178818      -1.33118640       2.45148616
Cl       8.10319004       9.84821005      12.00469994       0.83935545       0.37883979      -0.32170853
Cl       2.63823996       9.77834999      10.00060006      -0.79549909       0.84978461       1.58065719
Cl       8.16238997       5.63889004       3.43815006      -0.14031929       0.21038553       0.31676333
Cl       6.22043999       7.10767003       9.25376002       0.67730426      -0.69209031      -0.11126343
Cl       0.69751198       2.02604004       4.30850997       0.09706298       0.14120876      -0.88691307
Cl       6.85816999       4.19543998      11.10589998      -1.63867386       0.52241563       0.01552068
Cl       1.36523999       6.68470999       7.51009996       0.05867855      -1.10294025      -0.97374183
Cl       6.94336002       2.17605001       1.82265005      -0.14025448       0.31246331      -0.10144355
Cl      10.10760000       1.86065000       5.50740003      -2.74440820       0.49140019      -1.83917003
Cl       0.60498295       2.79745003       7.29751997       1.61859192       0.43580857      -0.25050336
Cl      12.00400002       9.78514999       7.40105996      -0.94470872       0.21342965       0.97767364
Cl       4.41271997       6.84806995       6.08222003       0.55848551      -1.08042989      -0.91581877
Cl       0.75348203       3.03278001      11.36209994      -0.01516595       0.33763224      -0.42177483
Cl       2.18599003      11.74099995       6.11748001       0.67984963      -0.38678819       0.30820414
Cl       1.81952997      10.13000004       3.05578998      -0.40809829      -0.12752806      -0.58784917
Cl      10.35539997       2.95999005       2.24067005       0.32474828       0.45146551      -1.06355809
Cl       2.95855994       0.31005297       0.68684100       0.04311451      -0.08955712      -0.02965661
Cl      10.84409996       1.77101995       8.93272005      -0.76974831      -0.67488442       1.00748390
Cl       5.39166996       9.40234000       2.21954995      -0.55365417       0.05990585      -0.15552813
Cl      12.06490002      11.42339999       0.99152397      -1.40027986       0.73703039      -0.63939882
Cl       9.25327994       5.84711001       7.08145996       0.25894910      -0.06160733      -0.45430589
Cl       5.31868995      11.78820000       8.37680002       0.69087311      -0.92257644       1.06833418
Cl       7.62709999      10.69989994       4.92151000       0.90919695      -1.90775000       1.80578044
Cl      12.29480005       6.75278001      10.33559994       0.02921585      -0.08707507       0.45746106
Cl       3.34348002       4.91058006       2.06810002      -0.27853318       0.52517875       0.54405622
Cl      11.93089999       6.66720999       3.59959996      -0.39689160      -0.91921369      -0.18485638
Cl       5.21735002       1.42299996       5.53229002       0.39802985       0.76368891      -0.86041392
Cl      10.23460000       6.64760002       0.63946301      -1.15290621      -0.74477400      -0.61535744
K        8.38302996      11.45150005       7.56485002       0.20111863       0.28273690       0.27964589
K        1.46856002       0.39025601      10.59940001       0.06504414      -0.50996852      -0.34473030
K        3.10269005       7.85453998       0.21395004       0.12548284       0.13866158       0.24948039
K        5.72642994       9.41900997      10.65060002      -0.62548473       1.01534229       0.09288498
K        6.82442998      12.17352809       3.14334995      -1.21248363       1.62601662      -1.98165898
K        4.27783994       2.95789006       0.20038096       0.11398728      -0.21132684      -0.06797735
K        9.49815999       7.71050995       9.54012999      -0.27738142      -0.09795566       0.19714719
K        3.70399005       8.03093000       8.43917998       0.20300931      -0.53801285      -0.51545873
K       12.40720004       4.72615994       0.75363095       0.18695273       0.12154941       0.48598121
K        5.57207005       4.07882006       4.17525996      -0.28172310       0.08655683      -0.17069501
K        1.39990001       4.98110002       4.68565994       0.72754349      -0.41172506       0.36395259
K        9.62856996      12.48599997      11.55849999       0.28687674      -0.28264246       0.11899586
K        3.83311996       9.10014005       4.60980997       0.15190437       0.67353612       0.24853793
K        6.78597003       2.19481998       7.87119998      -0.59192692       1.49759252      -1.86992813
K        9.07754995       3.21866002      11.54939997       2.08127767      -0.89221944       0.37764524
K       11.86320000       8.65793994       1.12375995       0.55977141       0.27642806       0.18918385
K        0.27572297       8.72822997       5.07752995       0.32997391       0.48242115       0.35872966
K       11.55729994       4.53135003       8.43706004      -0.56557649       0.49935938       0.32182708
K        7.82527003       8.31196001       1.70820005       0.84316129      -0.77134263      -0.02973500
K        7.07137998       7.78403995       5.05450004       0.16790174      -0.12566061       0.56394010
Li      10.63940000       4.88071999       4.89717000      -0.72245487       0.32523753      -0.08748930
Li       1.44917002       4.91970002      10.02650004      -0.39719617      -0.05887938      -0.02266058
Li       5.24534003       4.62286995       9.92683002      -0.74691681       1.33155179      -0.20912326
Li       1.72718002       0.12953098       4.28285999       0.22417104      -0.21068468      -0.14611899
Li       8.39308003       3.72987994       2.51559997      -0.28335635      -0.25428801      -0.25849620
Li       0.25740896       8.07526995       8.54951000      -0.25758326       0.84370470       0.60710480
Li       1.45614998      11.44790002       1.35645005       1.01523062       0.39242376      -0.02794145
Li      11.25719999       1.72042999       3.62947997       0.39360206      -0.58536310       0.38923969
Li       4.54378998      12.48309998       6.69357995      -1.58608713      -0.35108887      -0.79718607
Li      11.46900005       1.62208004       6.78725994       2.20730392      -0.53316297       2.03115129
60
Lattice="12.62016507 0.0 0.0 0.0 12.62016507 0.0 0.0 0.0 12.62016507" Properties=species:S:1:pos:R:3:forces:R:3 energy=-537.46365944 stress="-0.0032443919743408104 0.005512770461966786 -0.000763141887184377 0.005512770461966786 -0.012088246513252332 0.0033301457347042576 -0.000763141887184377 0.0033301457347042576 -0.008504476362410293" free_energy=-537.46365944 pbc="T T T" config_type=melt 
Cl       7.33893001      12.01310005       5.87313999      -0.25622509      -0.02642580      -0.40002504
Cl       7.28164001       4.56867997       7.99299000       0.41916093      -0.00306228      -0.40357063
Cl       9.73892005       1.14469996       4.14926999      -0.46110286       0.22686153      -0.87623779
Cl       4.47570999       5.46728002      10.35179994      -0.67838304       0.47802130      -1.03277630
Cl       7.36246005       9.88855003       1.52543999      -0.07013752       0.53281137       0.43393278
Cl       8.58463003       4.68313995       4.29858004       0.36894857       0.16251878       0.49870001
Cl       0.89826700       2.91454004       9.25866005      -1.19828446       0.05565943       0.71151118
Cl       6.18292995       0.23907704       2.34369994      -1.48522576       1.56988690      -1.01266374
Cl       6.93698002       6.07814005       0.56293395       0.50356150       0.76839273      -0.09448574
Cl      11.86130003      10.54290003      10.20379998      -0.18497225      -0.21773265       0.33019241
Cl      12.57829994       6.20542994      11.35250003       0.97137169       1.27829259      -1.22435234
Cl       6.45047001      11.75550001      11.16800003       2.25160018      -0.79659849       0.63386606
Cl       8.62094998       3.39414998       0.98608202       0.92378537      -3.03298228      -2.09196015
Cl       1.54471994       7.37481999       3.10299003      -0.06545947       0.43487788      -0.11711618
Cl      11.31729999      11.60470002       5.92027996       0.12577583      -1.21162805       0.60241303
Cl       4.10908006       2.49712001       5.24859995       0.59968988       0.61352001       0.13335593
Cl       0.79674598       3.39369995       5.36214004      -0.73430397       0.14655201       0.24590027
Cl       2.68211005      11.81660004       5.16015997      -0.27179250       1.16227978      -0.87549235
Cl      12.16030001       3.16105995       0.86121205      -0.30070778      -0.66899557       0.39675931
Cl       5.29336001       1.92843000      11.84740006      -0.59428629       0.56738145      -0.41318563
Cl      12.21930004       7.80418994       7.02729005      -0.10212388      -0.28100312       0.47712981
Cl      10.05879997       7.24618000       2.43219002      -0.12415314       1.08606943       0.17457916
Cl      10.07020001       1.81121997       8.04810996      -0.42263600      -0.57114685       0.62813152
Cl      11.56009998      12.21969997       1.12214999      -1.03801587       0.48231496      -1.68663586
Cl       9.12496000       8.77774998       8.51409997      -0.29956898      -1.67130014       0.62949489
Cl       4.77011005       9.73596996       8.57231994      -0.24721595      -0.56051897       0.67169682
Cl       3.74288994       5.05375999       1.42616005       0.08211223       0.02949317      -0.32699281
Cl       2.82651995      10.73630003      12.44189994       1.17257641       0.05990975      -0.10121574
Cl       5.53087000       7.18024001       5.42783999      -0.17331079       0.22670851      -0.09674541
Cl       4.26531998       0.25179501       8.10232998      -0.02241206       0.84215221       0.04941005
K        7.16819003       2.43195995       5.49137999       0.04993758       0.37353465       0.07436937
K        8.59504003       8.69229998      11.97539995      -0.06322973      -0.43043965      -0.07020086
K        6.43821999       7.19500005       8.65238000      -0.37930433       0.19536302      -0.44950762
K        7.42849999       2.37335998       9.54462996      -0.31003829      -0.41414443       0.58697092
K        1.01491999       0.15908803      11.85049995      -0.03954846       0.66929541      -0.44908713
K       10.58810004       5.61914995       0.31745798      -0.95099423      -0.96850462       0.38950147
K        8.78836000      11.32430002       8.28710005      -0.22330325       1.45081396      -0.26396794
K        3.52465006       2.93755998       9.23265998       1.45220623      -0.06344709      -0.56884391
K        9.53958997       8.42897001       5.49350005      -0.12351988      -0.04823625      -0.29110673
K        2.84678995       9.48635004       6.30104006       0.19466780      -1.40227329       0.28495792
K        0.39949599       0.98836905       7.25352001       0.81358424      -0.21203363      -0.44811131
K       11.73709994       5.64314000       4.15216997       0.43866440      -0.17522427      -0.07597349
K        3.32693006       4.77565005       4.25310000      -0.52953754       1.39427968      -0.12820680
K        5.27908004       8.11143000       2.45271999      -0.36190981      -0.71751188       0.48384035
K        9.70067994      12.45690001      11.68139996      -0.40250441       0.17445117      -0.17694294
K        0.80867999       8.99750996       0.31643701      -0.82748490      -0.89611709       0.71621952
K        2.29121002       7.99559001      10.02960006       0.37500929      -0.04829710      -0.32291629
K       11.00059998       4.43206997       7.59149005       0.37903390       0.49451569      -0.12487726
K        1.82328005       3.98277000      12.03489999       0.31697076       0.24909951       0.05482023
K       12.51464711      11.50649999       3.29206004       1.42222241      -0.77154026       2.57772089
Li       5.61661999      11.31310000       0.71391403       0.06771014       0.15125596      -0.22106022
Li       7.42220997      11.82139999       3.42255999       1.48646834      -1.16014910       1.44992312
Li       6.44875998       2.14223996       1.07514001       0.15818513       0.14384161       0.00281343
Li      10.71300005       1.64383001       2.29601995       0.31238694       0.70635840      -0.68124528
Li       7.88890999       4.56492005       2.26410999      -1.08541559       2.34041707       1.70298322
Li       4.81007003      12.05879994      10.04499994      -1.10254881      -0.36681790      -0.86724853
Li       5.01356994       5.58308998      12.31177708       0.18470202      -0.31125639       1.06614909
Li      10.30319994       0.79963398       6.14841999      -0.44323828       0.09691551      -0.18140817
Li       4.60405000       0.65353487       5.67831997      -0.19477142      -2.29488491       0.62378970
Li      11.16999995       8.39429005       9.21834001       0.69733484       0.15842664      -0.55697228
60
Lattice="12.62016507 0.0 0.0 0.0 12.62016507 0.0 0.0 0.0 12.62016507" Properties=species:S:1:pos:R:3:forces:R:3 energy=-532.93155838 stress="-0.0071481889707524565 0.0027520620216005594 -0.00021391407510919038 0.0027520620216005594 -0.011093671302683884 -0.004967945073387505 -0.00021391407510919038 -0.004967945073387505 -0.021958840069974887" free_energy=-532.93155838 pbc="T T T" config_type=melt 
Cl       4.76104006       8.42058000       2.69375000       0.46056074       0.47152238       4.68047632
Cl       1.74530005       1.59783998       8.65769006       0.39445639      -0.17201347       0.05260745
Cl       1.01453002      10.78340000       8.58221996      -2.76524840      -0.33645044       0.18870140
Cl       9.58621997      10.67209998       1.47788001       0.96291999      -0.54511762      -0.96612199
Cl       0.31463296       1.93900999      12.36330004      -1.35958703       2.85753747       1.18127931
Cl       5.63155999       0.25945002       9.40186005      -0.51460809      -0.74505343       0.71255909
Cl       0.90192294       9.64510995       0.73353296      -0.44279465       2.34335992       1.65210893
Cl       7.43898003       3.52369005       7.85527005      -0.18729702      -0.99090770      -0.86543981
Cl       6.74429004       0.08393975       1.37496004       0.02457738       0.61176055      -0.01662418
Cl       0.58057795       9.33404004       4.42992996       0.38694199       0.60152042       0.59200573
Cl       4.57327005       7.75359998       6.86625005       1.82979800       0.62507087       1.49388223
Cl       3.75402005      12.18519998       5.86507999      -0.34513201       0.12572431       0.19723864
Cl      10.46619997       1.30022002       2.27498996       0.06848188       0.37172541       0.47663235
Cl      10.47580000       8.05057998       7.50383001      -0.15592606       0.04413960       1.18735305
Cl       2.52780998       2.09220996       2.68513005       0.05398758      -0.94700409      -0.41168637
Cl       5.83532000       5.94827994       9.46584997      -1.01564219       0.61391177      -0.10898851
Cl      10.03460004       5.30476006       9.97954003       0.39139566       0.45816305      -2.01999954
Cl       7.08064003       3.24103999      11.36879998      -0.09249304       0.11851271       0.19559177
Cl       6.96175000       8.30357996      11.76990000       0.45241497      -1.45677264       1.90867714
Cl       7.67379006      11.28809996       5.45826001       0.99015656      -0.58602941       0.09247690
Cl       1.59543004       4.81390997       8.81105005       0.53021231       1.35732265      -3.72116054
Cl       3.48299998       6.40162000       0.30940505      -0.59406439      -0.13332217      -0.63440790
Cl       4.28785997       9.49924002      10.98460001      -0.87541914       0.05913836       0.77319206
Cl      11.82180005       4.90391005       5.78614995       0.06173621      -0.19434134       0.08062947
Cl       9.72279994      11.36339994       9.75880994      -0.21458506      -0.30392341       0.14940969
Cl       0.49015699       7.29898996      10.81230005       0.62938460      -0.61810366       0.39030261
Cl      11.22009998       6.43342004       2.12704995      -0.28053213       0.56477318      -0.28826288
Cl      11.74470005       0.76747805       6.32199004       0.94971608      -0.50658949       0.08930110
Cl       7.49198005       3.61431999       3.91323996      -0.19043507      -0.30762260      -0.22293994
Cl       2.48452003       4.73528003       4.00773004       0.51490446       1.08071539      -0.28451745
K        6.57659998      10.97300006      12.13239998       0.03629546      -0.10601758      -1.21432355
K       11.78769999       3.35701994       8.41886997      -0.55803162      -0.23208516      -0.14628813
K        5.36073996       9.75136000       5.32900996      -0.40262781       0.69250348      -0.77584779
K        4.63301000       3.07285004       9.09688001       0.03534150       0.27092242       0.18457191
K       10.78639994       8.00881001       4.83392997      -0.07710282      -1.01377954      -1.22719369
K       10.27300001      10.87790004       6.83226004       0.34673206       0.26994187       0.44763655
K        7.51964004       8.81496003       9.33124000       0.48518662       0.16518670      -1.63357874
K        6.68114997       0.61465896       3.87580994      -0.81608341       1.74475345       0.78328888
K       11.16430005       9.09449000      11.67990005      -0.98256755       0.52536097       0.37942152
K        3.46738997      10.52720004       8.63323003       2.43725514       0.22133566      -0.86488112
K        1.38233994       0.17592005      11.12999996       1.42322076      -2.80462565      -1.54649811
K        0.45925500      12.61130004       2.88009002      -0.09920537      -0.18313883      -0.12030271
K        4.33362006       3.41325994       0.66824405       0.49004059      -0.14315929       0.46590287
K        9.76168001       0.61686004      12.11939995      -0.24916043       0.16447868       0.26991605
K        9.50849994       4.96407997      12.40670003      -0.63458847      -0.27764905       2.51324802
K        0.31658000       4.25523003       1.96108998       0.23593379      -0.70436151       0.33239081
K        6.34992995       5.78087005       5.22700003      -0.10504573      -0.08248866       0.20833712
K        9.83763006       2.34775001       5.12464002      -0.23992282       0.81265954      -0.50318955
K        2.58394005       6.60938994       5.95868994      -2.61688786      -0.68390487      -0.16723203
K        1.80937995       2.79061002       5.98644004      -0.21043140      -0.13802549      -0.43510394
Li       1.78187001       8.25979001       3.07180005       0.21171038      -0.09113546      -0.75748210
Li       4.48158998       8.30726000       0.92263200      -0.15973393      -0.21165881      -4.60242782
Li       7.67205996       4.92962994       9.61617998       0.72268857      -0.76929481       0.37749790
Li       1.58914999       8.09086001      12.53690000       1.27407716      -2.31360717      -1.28004296
Li       6.52670994       1.15189004       7.81653006       0.92543030       0.60465023      -0.67453903
Li      12.24780003       7.48633997       8.92492003      -0.59826676      -0.17187805      -1.02132544
Li       4.49443996       7.34282005      10.65989994       0.37631915      -0.41112422       0.27684547
Li       1.71000006       4.43373999      10.58970002      -0.25177763      -0.56780274       3.64431293
Li       8.24039004      10.66429996       2.94939997      -0.82030364       0.43327721       0.60744203
Li       1.17419997      12.05240000       6.82053994       0.15362531       0.53902014      -0.07483149
60
Lattice="12.62016507 0.0 0.0 0.0 12.62016507 0.0 0.0 0.0 12.62016507" Properties=species:S:1:pos:R:3:forces:R:3 energy=-533.40539131 stress="-0.014932750964780524 -0.001900387610499328 0.0014850067084439134 -0.001900387610499328 -0.011651471022388796 -0.0038000031962518574 0.0014850067084439134 -0.0038000031962518574 -0.006672137472997385" free_energy=-533.40539131 pbc="T T T" config_type=melt 
Cl      11.73909998       3.68697996       8.36144001       0.00024108       0.48439727       1.38746051
Cl       1.83215998      11.00990003      12.31760002      -0.05598101      -0.76821587       0.16292831
Cl       8.59756002       2.19071994      11.83960004       0.43771856      -1.12397837       0.72922142
Cl      11.28590001      10.31589999       4.18824005       0.85972879      -0.38247163      -0.21205620
Cl       3.93701004       1.55032998       0.26484994      -0.02238370      -0.75444506      -0.25956923
Cl       7.18950006      12.42099993       0.86268104      -0.37470209      -2.03615071      -1.11208810
Cl       9.79018001       5.00613995       4.55755000      -0.11855007       0.40230412      -0.20544149
Cl       6.89472001       1.86040996       3.13166001       0.26332808       1.10990643       0.00279741
Cl       4.27751005       2.93134001       6.21490996      -0.35315957       0.04117777      -0.17561901
Cl      11.95839996       0.69555005       6.07407005       1.35765642       0.08155830      -0.45047730
Cl       6.41644996       8.33332001       8.00730001      -0.06226282      -0.31366240      -0.47126051
Cl       1.61856999       7.49150995       6.23294001      -0.76564939      -0.53673867       0.28940580
Cl       7.05458002       1.25449994       7.75204998       0.35883554       0.84563672       1.53931569
Cl      10.54179993       8.88656003       1.45090996      -1.10108706      -1.99785390      -1.55248497
Cl       1.47413006       5.79536999       1.00522997      -0.73527441       1.35945925      -0.08576600
Cl      11.26219997      11.99870006       9.66200002       0.46138758       0.24090690       3.23203479
Cl      10.44930006       9.42114997       7.95715997       1.28122681      -1.31000783      -0.50019802
Cl       9.10699999      11.87640006       5.82624005      -0.20049266       0.27124491      -0.34183065
Cl       5.18470998      11.27510005      10.43569993      -0.23126184       0.76108619       0.23310569
Cl      11.29470005       1.06754002       2.16382006      -0.59899657      -0.31274319       0.00757621
Cl       5.00825004       5.64420994       8.66606997      -0.74473579      -0.55434090       1.24643191
Cl       5.43032994       6.75727998       3.16872998       0.16049890      -1.29998204      -1.35859208
Cl       9.21207006       5.75533996      11.86949998       0.50798408       1.19552731       0.61339014
Cl       1.03329002       8.00218998      10.35470006       0.76571482      -0.85666102       0.05061907
Cl       6.02082999       9.44492005       4.08967000       0.06496559       1.11910033       0.63838028
Cl       8.89454999       5.60028003       8.07652994      -0.19788273       0.45349828       0.54774457
Cl       2.48833006      10.33180001       5.38747994      -4.70456601      -0.89196069       1.71115052
Cl       8.15986001      10.12729995      11.07119996       0.59105971      -0.80270964       0.44914393
Cl       1.70666998       3.79475996      11.08440002       0.80933924      -0.22980777      -0.41160958
Cl       4.15241998      12.03590001       3.08082006      -0.09971916       0.05238880      -0.67752436
K       11.27219994       6.46072995       7.00278005       0.90290300       0.42772969      -0.09088178
K        3.18798999       9.51661004       9.07157001       0.31752683      -0.13653711      -0.21990678
K        3.29640996       3.94630000       1.39607005       0.73148961      -0.29348817       0.67748584
K        1.39250005       0.07361052       1.85124999       0.54792554       0.41422175       0.71662676
K        7.39760999       4.66108999       2.77404000       0.19443571      -0.30848771      -0.30390606
K       11.21439996       6.30496001       1.66872000       0.27989611      -1.01775229       0.31448990
K        8.13648999       7.73849996       5.33970997       0.20436903       0.32354631       0.50172893
K        8.03991998      10.50379999       8.20326000      -0.74767760       1.49127769       0.15650248
K        7.79981995       4.10147995      10.30870006      -1.07319381       0.32909857      -1.47604635
K        6.46668995       0.29396302       5.30871004      -0.67129783      -0.47006540      -0.24391475
K        4.48594999       7.06604001       5.70844002      -0.60971959       0.28297318       1.04604013
K        4.65066006       2.43832998      10.20539997       0.01677713       0.01742966      -0.69388915
K        3.96141997       9.08307998       1.54910002      -0.26943120       0.02394959       0.25705245
K       11.24190006       9.08539995      11.05129998      -0.64727669       0.67658691      -0.18600703
K       10.04259997       2.58832998       6.66515000      -1.59771802      -0.21752190      -0.61462522
K        1.22321997       0.62495802      10.67460004      -0.03528543       0.18343975      -0.18895689
K        1.37893994       3.57306000       6.97786002       1.28626195      -0.02471607      -0.62767811
K        7.93490001       9.34521002       1.84373002      -0.93907769       0.57396083      -0.35352110
K        6.64521001       4.63586998       6.77430004      -0.16366396      -0.94606093      -0.66295586
K       11.52539995       3.75403002      11.39740005      -0.59536912      -0.11590419      -0.10335026
Li       8.35962006       7.44389003       9.87864004      -0.30311721       0.20680227      -0.38176859
Li      11.23219995      12.23370003       7.80110001      -0.62464093      -0.18954342      -2.74987280
Li       4.10826997      10.81050003       4.92362994       4.82397457       1.11809893      -1.68360954
Li      10.71670003      12.49309995       4.11658994       0.03619940       0.11142340       0.69641213
Li       7.33143994       0.04633494      11.08209999       0.15922616      -0.51758175       0.12654347
Li       2.19507996       6.21050994      11.33190001      -0.64980251      -0.17875605      -0.17522281
Li       5.11969001      12.11413608       0.90802996      -0.94313372       0.66937013      -0.06559565
Li       8.44047001       0.92030004       1.89011001       1.31623107       1.29022300       0.46083767
Li       0.34186399       9.93632997       6.08454996      -0.17376981      -0.41019349      -0.35499744
Li      11.59420004      10.34330001       1.92364999       1.67397870       2.44001395       1.19679768
60
Lattice="12.62016507 0.0 0.0 0.0 12.62016507 0.0 0.0 0.0 12.62016507" Properties=species:S:1:pos:R:3:forces:R:3 energy=-534.24728408 stress="-0.004877995202612309 0.0008913792596017889 -0.0011594101773077128 0.0008913792596017889 -0.005933035850475444 -0.0006908035578795034 -0.0011594101773077128 -0.0006908035578795034 -0.013625719447272564" free_energy=-534.24728408 pbc="T T T" config_type=melt 
Cl       7.87837997      11.20739993       2.05686997      -1.39988899      -0.77156993      -0.69281165
Cl       5.96900995       2.71613994       5.97151998      -0.09866212       0.11521690       0.28881609
Cl       4.13281001       6.76819995       8.29805006      -0.78620792       0.52741153       0.30331536
Cl      11.76280002      10.39769999       1.87297006      -0.39620283       0.38107155      -0.10699119
Cl       5.08956996       3.81791998      10.80639999      -0.19524666       1.01515053       0.25971670
Cl       5.39447000       3.81737996       1.39180998       1.34239737       0.41747501       1.28716597
Cl      11.94559996       5.11840994       5.29572995       0.00669237       0.05189994       0.49993995
Cl       8.33555000       6.22135003       3.39099002      -0.54780644      -0.52045257      -0.78074180
Cl       1.39286995       5.21625005      11.89309994       1.04061403      -0.43737668       0.45439981
Cl       0.14514401       8.92295003       9.80806000       0.81700133       0.84065530       2.09058677
Cl       9.05408995       4.76356006       8.27375006       0.14261145      -0.18035804       0.09454517
Cl       2.31022003      10.47080002       6.12198995      -1.63275175       1.37277105       1.59494466
Cl       7.21834004      11.98460005      10.78000000       0.42038083      -0.50096616      -0.44307283
Cl       2.54581996       2.70150005       2.87763994      -1.26351590      -1.09651222      -0.93380631
Cl       4.10980004      10.62559998      12.45585607       0.17223566      -1.11656672      -1.11451382
Cl       8.94187005       0.33756304       5.20158996       0.05098461       0.27459427      -0.55847714
Cl       8.09993000       2.78293002      12.30110004       0.56283851      -1.34337355      -1.03482422
Cl       6.56294004       9.24341994       6.62218994       0.05544633       0.09324649       0.02271706
Cl       2.48486999      11.67740000       2.67423002       0.82226132       0.04804093       0.17187832
Cl      12.47380006       2.01427994       7.21264999      -0.73988429      -1.56161191      -0.56428539
Cl       1.74438004       1.26420005      11.23880004       0.42398129      -0.15018437       0.82695748
Cl       9.96385001       9.79512004       4.75741997       1.54476041      -1.88042228       0.16472983
Cl      11.02439997       5.96338994      10.92199995       0.46364161      -0.76850976       3.72556016
Cl       2.47878997       6.75443994       2.79062996      -0.12902007      -0.11843057       0.40300782
Cl       0.55130295       4.93417005       8.51651004       0.24654500       0.70084547       0.57602030
Cl       3.13330997       2.50249998       8.70266000       0.32435430      -0.85164675      -1.68379048
Cl      10.28019994       3.53172000       2.34150996       0.87152200      -0.55431945       0.14836861
Cl       7.63628003       6.84633001      12.05039995      -0.38383999       0.13864260       0.33417523
Cl      10.00090004       8.57200002       8.60079999      -0.90559966       0.27186773      -0.64190343
Cl      11.27720005       0.11512695      10.80900000      -0.63086829      -0.07339191       0.36579906
K        1.20181996      10.68839994      12.54600431      -0.28777538       0.26765411      -0.24558554
K        4.05249995       0.42641998       5.64189994      -0.13657081      -0.02504782      -0.04031878
K        9.75101004       8.24917001       1.78401998      -0.08129573      -0.04801034       0.31429112
K        0.53380105       7.68574994       7.52178005       0.43978945      -0.46049190      -1.16286366
K        6.70712000       2.14906999       9.52622004       0.98776632      -0.36005222      -1.03357577
K        6.45274997       5.64738997       7.55832994       0.04278880      -0.14628312      -0.25484249
K        0.45470795       1.88037999       1.18812001      -0.07734102      -0.04806106      -0.69469547
K       11.44959996       3.17215005      10.22289997       0.17933332      -0.28440919      -0.25307159
K        3.52915003       3.97636994       4.78425006       1.04252744       1.69250609       1.24447572
K        5.45414003       9.63544997       9.43090006      -0.19504282      -0.36826324      -0.27490978
K        8.74257001       9.32221002      11.25400002       0.53319018       0.68121575      -0.30963738
K        4.73277001       7.29284003       1.09596000       0.22637809      -0.33144456      -0.20886130
K        8.85370003       3.11995999       5.63521000       0.52858359       0.61584232      -0.19349950
K        4.12269003       9.34046005       4.84828995       1.22211339      -1.39218151      -1.09780595
K        9.00349003       7.40465999       5.71334005       0.16001748      -0.14235691       1.14112731
K        0.84278396      12.27929996       8.94750003       0.10735198      -0.04501740      -0.19604257
K        9.44933004       0.68615005       1.20400994       0.50339858       0.06014550      -0.49458923
K        4.79555003       0.51645401      11.30299996      -1.11523575       0.93149456       0.31013959
K       12.60080006       0.60436494       4.33253005       0.08810353      -0.33022848       0.26232282
K        9.87319003      11.14199997       7.09106000      -0.02688988       0.10692450       1.28330368
Li       1.15290004       3.61226997       7.01451996       0.21291627       0.31346642       0.15107909
Li       8.31393998       3.87524001       1.42467996      -0.14546401       0.73894577       1.52215075
Li      10.36449999       6.60694996       9.32823994      -1.25473447       0.39826042      -2.97943958
Li      12.61743773       5.05241002       3.34135996       0.34937184       0.13094603      -0.70875685
Li       8.99469996      11.16919996       3.82938994      -0.78744539       1.47640683      -0.28328804
Li       0.12274600       7.09970998      11.73740005       0.29035424      -0.03824469      -0.75806239
Li       7.37100996       4.67400004      12.01559997      -1.23652059       0.86683557      -0.73827926
Li       4.89428995      11.16399994       1.63171995       0.09815277       0.64468835       1.10278400
Li       3.91527004       4.00953005       0.03976917      -1.32678801       0.07612029      -0.38777137
Li       2.83371003       4.17964004      10.00950005      -0.53980699       0.69544349      -0.07320367
60
Lattice="12.62016507 0.0 0.0 0.0 12.62016507 0.0 0.0 0.0 12.62016507" Properties=species:S:1:pos:R:3:forces:R:3 energy=-534.67323057 stress="-0.008283476876209329 0.00039338211019787216 -0.0003787251555930331 0.00039338211019787216 -0.00979647944317326 -0.003347840825015739 -0.0003787251555930331 -0.003347840825015739 -0.011987212383869534" free_energy=-534.67323057 pbc="T T T" config_type=melt 
Cl       9.02507997       2.74492995      10.46610002      -0.09629719       0.04817221       0.10879860
Cl       1.52153998       6.41589000       7.06419999       0.01887986       0.37291432      -0.06141810
Cl       0.26484502       9.88344000       0.12696202       0.35828323       0.59912567       0.00200995
Cl       1.19894004       5.01079994      11.61640005      -0.57544101      -0.11133211       0.54991152
Cl      10.89429995       7.54613999       7.03243996       0.30459533      -1.27473606      -3.13192181
Cl       2.28400997       6.08542000       2.50778998       0.36198037      -0.72683570      -0.86876632
Cl      12.13759999       1.20414005      10.72720000      -0.29645051      -1.16115958       0.30776786
Cl       8.55677001       9.89327994       5.27811006       0.39479040       0.87863950       0.62766541
Cl       5.91158000       4.73309006      11.28850002      -0.42040365       0.08081406      -0.15642123
Cl       8.52340999       6.85548998       2.06244997       0.30979423       0.37501539      -0.43892770
Cl       2.21068996      11.94730002       5.47295998      -1.39315338      -0.58857550       1.02787230
Cl       4.55820006       1.58264997       4.03351001       1.18830604       0.17134034      -2.35882427
Cl       3.26982003       8.91451004       5.03151001       0.25734616       0.55674098      -0.74077614
Cl       6.76432998       0.36040604       7.03406001      -0.01893425       0.90800977      -0.65997539
Cl       6.28260995      11.68670005      10.10449998      -0.00669748      -0.50562315       0.20515258
Cl       0.21253494       8.41185000       3.58435997      -1.08333540       0.15218013       0.25572272
Cl      11.99150000      11.11910005       7.05785003       0.47810123       0.34162034       0.73919516
Cl      10.48980006       6.82317996      10.21750006       0.82373463      -1.00434141      -1.31182121
Cl       3.69473998       0.60931495      12.21579996       2.55949261      -0.74540064       1.34009583
Cl       5.24150994       8.38650997       9.45495006      -0.49423456      -0.34028969      -0.12019929
Cl       0.82224199       2.28958997       1.69201998       0.50789420      -0.99252949      -0.66919910
Cl       8.66547001       3.47052003       2.85857996      -0.90384270      -0.36428087       0.11780400
Cl       4.76169000       9.70389001       0.92907699       0.64004992       0.49904238       0.47657955
Cl       6.37858000       5.87632999       5.08593006       0.48009505       1.42246880       0.91120552
Cl      11.34109998      12.10720004       3.74627000       0.64755036       0.24110884       0.83278060
Cl       4.12770995       4.22548998       7.04690999       0.26894411      -0.53253235       0.36976659
Cl      10.91809994       2.76231006       5.65539999       0.42822849      -0.14682641       1.42208701
Cl       2.23758997       0.93861796       9.23605998       0.41469450      -0.08780978      -0.69025383
Cl       9.66612000       9.98882999      10.13520005       0.19990999      -0.05792525      -0.15236099
Cl       7.66176001      11.60390003       0.94737497      -0.01248816       0.15176997       0.36255142
K       10.38809995      11.04709999       1.46718998       0.22593584      -0.77161959      -0.47804002
K        6.89517005       8.86483997       3.52475998      -0.72099214      -0.62066988      -0.80329859
K        8.36337001       6.25325002      11.53460005      -1.69055521      -0.52523694       1.29515040
K        6.88557998       3.28930001       5.46455003      -0.04150212      -0.76013401       0.01832313
K        4.95784005      10.82410003       6.84637001      -0.10910241      -0.43323499       0.28896594
K        8.95501004      12.54693416      11.08000000       0.18377937       0.32827212       0.10087934
K        5.52348001       5.52927002       2.64249005      -0.16049446      -0.44883589      -1.49822497
K        2.20177003      11.59019996       2.93323997       0.03531066      -0.29093440      -1.82760377
K        9.21603998       4.43758006       8.30467994       0.38946304       0.62426895      -0.52401546
K        1.21331996       3.58326000       6.89156005      -0.13405113       0.06915431       0.29722268
K        0.71974694      10.78540004       9.93900002      -0.19947245       0.60525702      -0.46176535
K       11.11000002       2.23146995       3.01746998      -0.59230547       0.01954234      -0.40254274
K        7.37599001       0.50483904       3.55303004       0.19610850       0.08910458       0.16542073
K        3.61171002       1.27907001       6.31099005       0.40127488       1.25567759       2.93122962
K        4.41954003       7.26656005       6.81682002       0.37325305      -0.95491274       0.39118329
K        2.75151994       8.31322997      12.46869999      -0.33928508      -0.64526963      -0.00405004
K        9.52550006      12.26489998       7.34446004      -0.38055290      -0.18620145      -0.04890851
K        6.10716997       1.71195997       9.60850995      -0.61980991       1.22305731       0.32776982
K       11.72349994       7.38471004      12.44759996       0.26812595      -0.34016632       1.28657700
K        3.37907999       5.93999001       9.82278004       0.32034141      -0.62560903      -0.32565180
Li       1.95991996       7.20958000       4.25621995      -0.01132198       0.38282044       0.99912024
Li      10.57749998       8.33862995       8.72417006      -0.66080898       1.54931945       1.83890476
Li      11.01010006       7.06012999       4.66275005      -0.08879813       0.51778804       0.26788130
Li       6.39620002       9.64568000      10.74399997       0.22633935       0.19191873       0.34053747
Li       1.18332006       4.28762006       1.61416997       0.73264738       1.20960353      -0.45248893
Li       0.02563496       9.79643002       5.53952996       0.18995998      -0.49533728      -0.53507521
Li       0.04823490       0.49243493       5.58564001      -0.40391667      -0.74501443       0.03387092
Li       5.49071996      11.95590003       0.76663490      -0.74388199      -0.03792296      -0.72034680
Li       1.85866005       0.91037403      11.75730003      -2.17192713       0.69219984      -1.07593715
Li      12.20329994       3.07387001      11.55790003       0.18484632       0.96435060       0.27881148
60
Lattice="12.62016507 0.0 0.0 0.0 12.62016507 0.0 0.0 0.0 12.62016507" Properties=species:S:1:pos:R:3:forces:R:3 energy=-533.80115149 stress="-0.009513240926202886 0.002489018625180528 0.0027124709370868385 0.002489018625180528 -0.0028949766647350145 0.0012161456325751924 0.0027124709370868385 0.0012161456325751924 -0.015882193679304997" free_energy=-533.80115149 pbc="T T T" config_type=melt 
Cl      10.81470002       7.75687997      12.24639995       0.47719797       0.29944327       0.30476231
Cl       2.61028995       6.24025996       4.90215004       0.52046877       0.43837238      -0.67224412
Cl      11.20480005       4.30181005      10.01220001       0.22951756       0.19399957       0.10991587
Cl       8.27929006       9.62871004       4.32952002      -0.82411308       0.41062380      -0.36368467
Cl       7.46141994       7.04086001       0.36537700      -0.45634935       0.02606149       0.03604594
Cl       2.80761002       6.67203997       0.98205001      -0.16721533      -0.93291378      -0.84482402
Cl       9.73926004      11.89940006      11.45979995       0.15065609      -0.07508152      -0.00606902
Cl       6.21545994      12.60834906       5.07462996      -0.20267761      -0.67120864       0.19058011
Cl      11.90280006       0.27722805       8.50834000       0.13626855       0.14512789       0.03124648
Cl       9.11379999       2.04809996       2.16930996      -0.46154178      -0.18736900      -0.24477283
Cl       0.14511196       4.27538002       1.26216000      -0.80362535      -0.45593021       0.60846165
Cl      11.91490002       9.22599994       4.67921003       0.38420208       0.59031240       0.49603575
Cl       4.85473002       3.06960994       3.64859005       0.23920069      -1.46803780       0.61042899
Cl       3.12286994       9.03430001       2.71574001      -0.95787395       2.08396112       1.91652038
Cl       5.01506001       4.36013995       7.06428998      -0.38504810      -1.09379552       0.26694258
Cl       2.18784999       5.50837002       8.65677005      -2.03683066      -0.94220760      -0.87490523
Cl       6.74438999      10.79839995       1.09601994       0.35849525       0.41964264       1.03623965
Cl       9.16968006       7.69999003       7.83970005       0.14183310       0.29727735       0.13515372
Cl      10.90939998       1.45329997       5.19419000       0.01025689      -0.88942049       0.79804582
Cl       3.50196998       8.96714004      11.04230003       0.17276051       0.73430321       0.08701140
Cl       1.97904002       1.76967994       5.73055004      -0.04610922      -0.13728187      -0.38295421
Cl       9.11833000       2.69808995       8.16909999      -0.29396025       0.11409738      -2.61764609
Cl       9.22665998       4.74410998       4.15850000      -1.38136273       1.33053795      -0.09383627
Cl       3.58610004      11.58209995       7.56041996      -4.15738541       1.18001593       0.94951311
Cl       6.04738004       4.04047003      10.93960003       0.44828554       0.10463946      -0.17315812
Cl       5.36636994       8.84112996       6.85909997      -0.02467723       0.69455853       0.38415972
Cl      12.56804391       4.76714999       6.27104004      -0.28955823      -1.27794591      -1.63819626
Cl       6.87819996       0.96816404       9.67397996      -0.82731981      -0.79904026      -1.02268428
Cl       2.11695003       1.05650002      11.04230003      -0.39763127      -0.33540583       0.58680480
Cl       0.30617303      12.05459994       2.23913998      -0.09859718       0.11803222      -0.06003737
K        8.80012995       6.57591003      10.36630001       0.04167742      -0.27138773       0.55076422
K        9.36741003       5.34712002       1.49580999       0.76747712      -0.26492835      -0.73301239
K        2.30721000       9.02455005       5.86461002       0.47661261      -0.26242813      -0.12726242
K        0.33716298      10.68209995      10.66199994       0.21448002       0.10328455       0.25620744
K        5.22857995       8.33689998       1.53199995       0.92690730      -0.59259978      -1.37656692
K       11.38850006       1.62968003       0.26585299       0.43395307      -0.08114971      -0.02194885
K        1.19588003       4.98689003      11.45689997       0.26359814       0.32540481      -0.06634403
K        0.44334501       8.22579002       2.26879005       0.23408362      -0.67184429      -0.70544290
K        7.66236995       1.35654003      12.19409997       0.15466638       0.43150949       1.09787055
K        0.17929002      11.87579997       6.00320997       0.13907585      -0.79557530      -0.88930152
K        0.22940406       2.52036004       3.62556002       0.52770192       0.61911820      -1.26946512
K        6.38063001      10.98450005      11.30169995      -0.55188988      -0.22233215      -3.10577569
K        4.28571997       6.40480003       9.71090000       1.97989837       0.88429935       0.89427390
K        9.79236001       7.46782001       5.15073006       0.28158976      -0.68635147      -0.09514834
K        9.26309995      10.77689998       7.94275998      -0.12795201       0.17298464      -0.01691177
K        6.02368000       6.55502000       5.53453995       0.19614822      -0.25505244      -0.18511530
K       10.08359998      10.39229994       2.14537001       0.13641067       0.22201714      -0.40510161
K        4.85611004       5.37981004       2.46736002      -0.29401845       0.73121210      -0.74080802
K        3.54581004       2.07016998       8.91694005       0.41474653       0.18294055       0.93213115
K        3.23370995      11.76360001       1.41185005      -0.32810097       0.05852296      -0.16961944
Li      10.31599994       3.51128998       5.21602995       0.79373341      -0.56297632       1.40259145
Li       5.34789995      11.41799995       7.11715004       3.62840311      -0.85005062      -1.38949642
Li       7.69635996       3.27192999       9.39663997      -1.96477048       0.14707631       1.03995602
Li       0.19003495       1.77195005       6.75727001      -1.54675232       0.76461417       0.79677879
Li      11.96870003       5.51609002       8.00706994      -0.25471621       0.30805805       1.74384960
Li       6.73523002       1.73197000       3.92696994       0.21689813       0.66303360      -0.30808519
Li       3.80893998       1.96161006       6.52253002       2.19626943       0.07472641      -0.83282834
Li       2.79455004       4.70889001       6.32249005      -0.19477156       0.14166179       0.60634804
Li       6.58805000      10.80300000       3.06006998       0.29755141       0.15602096       2.71141278
Li      10.76439996       2.24302005       9.10741999       1.48382293      -0.38517692       0.85319451
60
Lattice="12.62016507 0.0 0.0 0.0 12.62016507 0.0 0.0 0.0 12.62016507" Properties=species:S:1:pos:R:3:forces:R:3 energy=-533.23515374 stress="-0.012082622819907273 0.0036051928201997143 -0.007315181489883342 0.0036051928201997143 -0.014364365146277388 0.006600502393250251 -0.007315181489883342 0.006600502393250251 -0.015376450860766425" free_energy=-533.23515374 pbc="T T T" config_type=melt 
Cl       1.25913999      10.09829995       9.16890001       0.71309161      -0.69528398       0.30729541
Cl       4.94890005       3.62150995       1.34354000      -0.67435493       0.37992579       0.04534321
Cl       9.25715004       9.84248996       3.00814999      -2.05703460      -0.47030397      -2.02932914
Cl       2.19666997       9.37320003       4.90388998       4.30327444      -2.56639987       2.98154732
Cl       8.84129996       1.45173999      11.71379996       1.02976836      -0.61255547       0.68255068
Cl       1.16151002       6.20927998       0.28051106      -0.04635285       0.02929427      -0.12449626
Cl      12.35349997       8.65736004       2.99860006       0.14066595       0.47099523      -0.41850760
Cl       4.69003005       1.57651998       5.12326997      -1.48470933      -0.10508367       0.46276115
Cl       0.62703505       4.23400001       7.95762994      -0.48492369      -0.03232219       0.08082349
Cl      10.21160000       1.11673001       8.76444000       1.08379433       0.20322031      -0.73295893
Cl       4.14225999       9.05994003      10.77739999       0.51044200       0.07131198      -0.03086217
Cl       8.09750996      10.41839996       9.91753994       0.55968580      -0.29474513       2.52449819
Cl       4.19668003       9.86964994       1.78846997      -0.78091489       0.65045704      -0.67801838
Cl      11.70340006      12.36219994       4.69962996       0.44393074      -0.07714484      -0.05654258
Cl      11.84779999      12.26380000       0.75721104       2.40016583      -4.66648005       3.24287698
Cl       8.10324002       4.04804995       1.92876999       0.35340757       0.73899098       0.22012507
Cl       9.51774005       6.35990998       4.51734997      -0.44758199       0.51323190      -1.28098039
Cl       7.06025998       7.66705001       0.64369101       0.55038726       0.05201183       1.57518809
Cl      11.74509999       2.50504004      11.43350003       1.32465119       2.11088718      -0.14877696
Cl       7.21092001      10.81199994       7.33419997      -3.14256832       1.94024156      -3.19084676
Cl       3.18185003       6.27376006       3.42213999       1.26597739      -0.05652496       0.96162733
Cl      10.44239998       9.25460001       6.33296996       0.16232843       0.02545713       0.62178050
Cl       5.02913995       1.23488997      11.55729994      -0.11120579      -0.68880878      -0.18735625
Cl      10.86440000       7.28269001      10.82180000       0.73327850       1.08544914      -1.16054106
Cl       4.78937006       5.47978004      10.13459996       0.36318660      -1.35313430      -0.10128009
Cl       7.69721006       0.71926195       3.77867998       0.99771619      -0.52234934      -0.76926576
Cl       4.06952001       7.63766004       7.26085006       0.74073387      -0.29520868      -0.09339912
Cl       7.16930994       2.81696004       7.05969005      -0.36151330       1.07763927      -0.72575794
Cl       8.42025995       5.03546997       9.57071003      -0.17323166       0.15450126      -0.25811480
Cl       0.11154194       3.47343996       3.95746001       0.78887522      -1.33288948       0.67417472
K        4.10993003       6.79265998       0.81350001      -0.17898686      -0.11875411      -0.68384130
K        6.60640994       7.49786004      10.66329994       0.54538431       0.60270008      -1.41580845
K        7.03111005       3.29165998      11.40619997      -1.34080537       1.00013000       0.67893790
K        4.01583004      10.51269998       7.52016997       0.11220072       0.03495012       0.45934329
K        5.70526996       4.16021003       4.05948004       0.04818378      -0.03556346       0.04688301
K       10.81180004       9.13864998       0.40149604       0.08959824       0.16845862       0.05940737
K        1.25786006       2.21211996       0.67554595       0.87980623       0.47644715       0.04537231
K        0.04143490       7.54047001       8.03437001      -0.59200125       0.00529690      -0.12208290
K        7.46945003       0.92074806       8.94720005      -0.28069505      -1.18822945       1.06142430
K        7.92771005      11.66710005      12.52259996      -0.67740324      -0.54283710       0.29534315
K        5.91926997       9.23991999       3.63584003       0.97996240       0.07718445       0.70545884
K       12.10720004      11.58439998       7.92771005      -1.34935717       0.59712653      -0.72332542
K        0.45983906       5.90122995       3.23173994      -0.18160622       1.50508805      -0.60314239
K       10.61740002       2.48881001       2.77681000      -1.52775594      -0.69294865      -0.37048499
K        9.64936004       4.95740996       6.81681005       0.12131511      -0.66110922       0.87017880
K        9.70665004       5.60595999      12.43120006      -0.34010204      -1.10297281       0.41925642
K        1.89905998       9.95306999      12.13230003      -0.10461040       0.09275666       0.43796927
K        2.64036999       7.00439000       9.54596000      -0.88358207      -0.21880453       0.59066807
K        1.39078005       1.48389996       5.62639001       0.10136771       0.44001020       0.18502742
K        5.01612994       0.93135405       2.41200999       0.13607511      -0.38282431      -1.07365034
Li       6.68542997       1.00728996       5.59084999       0.33447084      -0.04449693       0.80818325
Li      11.21170000       0.98806894      12.49699996      -3.69962073       2.83823447      -2.76327593
Li      10.42450004       8.58572003       4.04228001       0.67771606      -1.15493532       1.36203378
Li       8.64710994       9.80184003       8.03583004       2.32099947      -1.52722907      -0.00841645
Li       7.57191996       6.43721997       2.40179006       0.81836835      -0.78159163      -0.04756137
Li       3.74726006       7.48322999       5.21458999      -1.03380438       0.03061169      -0.60877040
Li       9.67439996      11.53159999       3.92026005       0.27881294       1.82965501       1.19106987
Li      11.61250004       2.87073999       9.36045998       0.00840075       0.17665761      -0.85350523
Li       0.99027306      10.38930000       4.14162999      -4.30130038       2.67367289      -2.58128809
Li       5.80097006       4.32746003       8.40869004       0.33799912       0.16893599       0.24503824
60
Lattice="12.62016507 0.0 0.0 0.0 12.62016507 0.0 0.0 0.0 12.62016507" Properties=species:S:1:pos:R:3:forces:R:3 energy=-533.39883539 stress="-0.01310200170660236 -0.0009467758674712027 -0.0024176967256368045 -0.0009467758674712027 -0.010513262858366634 -0.00033290214266993754 -0.0024176967256368045 -0.00033290214266993754 -0.01163269149483273" free_energy=-533.39883539 pbc="T T T" config_type=melt 
Cl       6.67501000      11.99590002       0.87877099       0.88397657       0.96853974       1.03180356
Cl       5.91833002       7.50782000       7.58848002       0.02010729       0.38508606       1.50637058
Cl       6.21511996      11.77409999       9.06797995       0.11803469       0.31911948       0.16156774
Cl       4.89615003       5.07167003       9.97711999       0.62610318      -0.27174278      -0.12778622
Cl       2.34339996       1.04345998       3.65691999      -0.24511662       0.42901352       0.00376132
Cl       6.55552001      10.60300004       5.95627002      -0.83983679       1.70509712      -0.31173592
Cl       2.69417997       9.52191000       8.46099999       1.35019615       0.45934078       3.17375686
Cl       9.63927994       4.68392997       3.58296002       0.27436751      -0.35268272       0.26072413
Cl       3.95718994       4.78014005       1.68110001      -0.64139645       0.60727735      -1.02748623
Cl       9.17269994       6.59090001       7.02735997      -0.64316611      -0.88299439       0.07273886
Cl       8.28847994       2.69564997       1.14469996      -0.62582418      -0.26524633      -0.16423594
Cl       5.24739005       3.77203003       4.00891003       1.15839030      -1.45699122       1.46296705
Cl      10.59319997      11.26600003      10.30229999       2.16652371      -1.73629986       1.02434073
Cl       5.80163994       9.71711001      11.51069998       1.09370985      -4.66948359      -2.01056999
Cl       3.97986005       7.33431999       5.01800997      -1.23997701       1.90980750       0.52390573
Cl       1.91775006      10.27489998       5.39015996      -1.00966870       2.20468881      -2.47496281
Cl       0.57113491       8.85653994       0.52369205      -0.32995210       1.05263864       0.45334450
Cl       7.13281003       7.90362005       3.84554994       0.17383954       0.07978317      -0.12330299
Cl       5.28337999       1.68075005       7.11275002       1.46551539       2.65895758       0.52113803
Cl      11.56790000       8.41516002       7.54622001       0.95385749       0.79830926       0.05841997
Cl       2.29654003       2.44910003      10.78520001       0.60184443      -0.20993816      -0.30195399
Cl       8.82911001       3.21229000       9.70964998       0.46132670       0.41531283      -0.29013804
Cl       9.85225002      10.97319996       3.04252997       0.67570522      -0.66493590      -0.28244886
Cl       0.36663498       1.59530005       6.93300997       0.07081883       0.80916965       0.39286483
Cl       3.19763003      11.05049998       0.81355604       0.05118393       0.26764019       0.17898744
Cl       0.27373794       5.57247995       0.38706299       1.35167000      -0.06380548      -0.55374377
Cl       1.27480995       4.75154995       5.22763003      -0.35730971       0.39422191       0.11397338
Cl      11.57440001       1.38126003       0.26551502       0.39255701      -0.12412349       0.40688624
Cl       9.53245996       0.00709783       6.69556005      -1.51060256       0.88635413      -0.83651668
Cl       9.23466003       7.54425997      12.41209994       0.03851911       0.06653142       0.76019845
K        1.49568000      11.28510002      11.23739996      -0.20387770       0.23008371      -0.31816392
K        3.60600002       6.63850996      11.83890000      -0.06425166       0.12606018       0.13100040
K        2.58806003       2.06595005       1.02687999       0.10842357      -0.11266604      -0.52535901
K        8.29875994       7.13452006       9.78364995      -0.44759883      -0.05980326      -0.42052334
K       10.26570000       1.20221005       2.84923006       0.30875055       0.57927054      -0.04944294
K       11.07929996       6.82130006       5.01996004       0.36772037       0.19849134      -0.45176332
K        6.54683002       2.02160998      11.08130000      -0.41261839       0.05300896       0.25434263
K       10.50729994       4.58387995       0.55937102      -1.53641821      -0.38412319       0.20722620
K        3.79905006      10.85030000       3.68221005       1.00779758       0.18608161      -0.87174535
K        2.75201996       4.31726003       8.28699997      -0.25325001      -0.30520338      -0.36550958
K       11.79960004      11.85539998       7.78305999       1.22662950      -1.08411791       0.01046599
K        8.91741003       0.28781397       9.58272998      -1.72092537       1.28248948      -0.30227775
K       11.91090006       8.62161999      10.69820000      -0.65499179      -0.43386566      -0.58651927
K        9.15282002       9.89614005       5.72039005       0.66176225      -0.97196785       0.30676335
K        3.19449001       0.59743495       6.44777005      -2.51813430      -1.45169261      -0.51915049
K        2.06402005       7.02416000       1.96116999       0.33756917      -0.05781578       1.15933854
K        7.42376995      12.42481804       3.74971998      -0.36595400       0.16843194      -0.22800174
K        6.40089005       4.72986005       7.11561000       0.30847936      -0.21795347      -0.12001268
K       10.80400002       4.03838997       6.60593000      -0.06111725      -0.41656046      -0.01817412
K       12.20409993       2.55134002      10.45649999      -0.63316628       0.18219662      -0.48528969
Li       1.76483998       9.18150995       6.84334004      -1.64857488      -2.84033774       0.83165630
Li       5.76339995       8.67948004       5.82570003      -0.28470035      -0.90851849      -0.65439134
Li       6.80574999       3.72877997       2.41549000       0.09876080       0.30161825       0.10907154
Li       7.62830004       8.30257994       1.76781001       0.43359376       0.04099612      -0.57584939
Li       5.20217995      11.18210004      12.38149995      -1.96517614       2.69735265       1.51095040
Li       1.62044005       3.41631995       3.56071004       0.39443035      -0.43440072       0.36265640
Li       4.55150001       5.71215994       4.14523002       0.38427332      -1.01449978      -1.24779602
Li       6.82410994       0.39114700       7.15833002       0.91247677      -1.54507795       0.35384827
Li       5.18180999       9.16483000       9.43693995      -0.05653908       0.33915796      -0.83871231
Li      11.80939998      10.05940006       1.99968005      -0.20876979       0.13471973      -0.26150571
60
Lattice="12.62016507 0.0 0.0 0.0 12.62016507 0.0 0.0 0.0 12.62016507" Properties=species:S:1:pos:R:3:forces:R:3 energy=-536.04154721 stress="-0.008878487867896368 -0.0002526823352333366 -0.0011670769912160736 -0.0002526823352333366 -0.009224386792400261 0.00101205835171303 -0.0011670769912160736 0.00101205835171303 -0.005408071318425271" free_energy=-536.04154721 pbc="T T T" config_type=melt 
Cl       8.89149994       3.70451997       2.34498001      -0.86095416       0.00716450      -2.47956436
Cl       8.34003003       8.08743995      10.76950002      -0.15697943      -1.06293769       0.28047541
Cl       5.69171994      10.78650001       9.36742997       0.11976061       0.29794419      -0.08290864
Cl       7.64229000       3.66938998      10.54140000       1.40611931       1.06631114       0.01667735
Cl       4.49694001       5.06563999      10.90510003      -0.45867534       1.82959226       0.27604022
Cl       6.52522997       7.38677002       5.50958004       1.00387668      -0.15116237       0.32209175
Cl       9.55053001      10.34109993       1.13801998      -0.02009702       0.04567888      -0.52996796
Cl       6.05931001      11.04260001       2.24424004      -0.22847353       0.00413040      -0.19590206
Cl       8.66056001       3.96615000       5.31759994      -0.88297399       0.08751333       1.46807930
Cl       4.70217999       3.14232001       6.65683003       0.73804419       0.20582672       0.85657840
Cl       1.09034995       6.83021999      11.96679994       0.84026315       1.02001381       1.43622167
Cl       1.32868000       0.68478404       7.17272004       0.38994980      -0.30518076      -0.64120799
Cl      12.34680005       6.16021997       9.02397003      -2.04776842      -1.29443560      -0.50136516
Cl       2.15434004       8.60390998       7.68259995      -0.07667831       0.12984333       0.13535583
Cl      10.69340005       0.92277700       4.13180999       1.11969826       0.20283478       0.22284982
Cl       4.21897002       2.84835005       2.26378994       0.07419804      -0.05836867       0.16792478
Cl       2.99844004       1.29606003      11.29030003      -1.09915722       0.65856897      -0.66221206
Cl       3.20062000       6.20662002       5.13540994      -2.66036010      -0.02279200      -2.53627334
Cl       0.28696602       4.12437999       2.35728997      -0.89896290       0.84374703      -1.11468723
Cl       5.72940994       7.72090997       1.30966003      -0.88935015       0.41881697       0.58860745
Cl       8.97953001       9.75173999       8.18697002      -0.18949312       0.40318809      -0.93862174
Cl       7.34615997       0.98959497      12.04680005      -1.31560544      -2.28522483      -0.07163599
Cl       7.24609999      12.58639994       6.48672004       0.21661761       0.08645394      -0.05947316
Cl       2.74546996       9.89589004      11.66740003       0.48763387      -0.19977230       1.41027171
Cl       1.16393006      10.33800004       3.29773003       0.54655255       1.06986368       0.13590023
Cl      11.02149998       2.89126997      10.92719996      -0.77760821      -0.77276100       0.07736739
Cl      11.46640005       8.37786995       5.49251000      -0.35440276      -0.06256191       0.39471442
Cl      11.99599997      11.58930001       9.60451996       0.70759027       0.13575652       0.30727289
Cl       4.47397005      10.47310005       5.25593996      -0.35944190      -0.25849993       0.52559972
Cl      12.11250000       4.72097003       5.76120998       0.07784512      -0.08499464       0.05342236
K        0.78692900       2.16277006       9.63581999       0.09493402       0.09583958      -0.39466435
K        5.51984995       7.97175001       9.59753003      -0.34844830      -0.22596459       0.08790831
K        3.40690998       5.73458004       0.82146800      -0.25518122      -0.22520613       0.25243013
K        5.23204002       2.82842004       9.92784998      -0.77647860      -1.96395754      -0.82648716
K        1.81611003       3.07669995       4.01538998       0.59034594      -0.52540165       1.74604217
K        0.50565796       7.74192002       3.13922000      -0.32571890      -0.99966504       0.02849552
K        9.23370998       6.22817994       7.17513995       0.12116508       0.35116176      -0.22087180
K        4.05777997       1.07716996       5.13848005       0.09005642      -1.58660505      -0.46671036
K        8.22978001       2.47853997       7.95306005       0.01528599      -0.03535977      -0.58918404
K        8.64307995       9.60774000       3.93899002      -0.10590173      -0.28260015      -0.08324292
K       11.10790003       8.84740004       9.89506998       0.12572046      -0.11584439       0.19384080
K        7.03833004       5.84477995      12.58070005       0.85719769      -0.77242210      -0.75938183
K        2.63860001      11.49630000       9.44593005       0.02002053       0.04430235      -0.69478273
K        9.58712004       0.05616062      10.34019999      -0.52066188      -0.02310199       0.20599452
K        6.26463997       4.71984999       3.48516005       0.20673738       0.13970650       0.41877067
K        4.67921003       0.04993257       0.19552699       0.93572839      -0.61587707       0.82470050
K        8.12086004       0.44260105       3.65377997      -1.04685201       0.13225717      -0.60482371
K       12.02040005       4.95731997      12.53044693      -1.34684674      -0.66411189      -0.01295063
K        0.53840401      12.46749994       1.15084005      -0.18659303      -0.26099193       0.03271265
K       11.05280001      11.89169999       6.86439994       0.06568343      -0.18026008      -0.57196648
Li       4.46550003       7.65312997       5.29063002       0.87107138       2.61311850       0.14702365
Li       4.24981005       9.58582003       1.24763999       0.28713526       0.04376512      -0.05246268
Li      10.19339996       3.41123996       3.91993004       1.40566385      -0.40701799       0.65558549
Li      12.41220002       6.60963995       6.95961000       0.38651640       0.39194760      -1.21471052
Li       7.98914994       9.84057005      11.89073013      -0.02115341       0.49415701       0.94673969
Li       6.67560000      10.33280003       7.06096999      -0.12915965       0.43939908       0.41965375
Li       8.60520002       2.40828995      12.36780001       1.53051553       2.18160056       0.38471889
Li       3.85459002       4.97432994       6.38412000       0.61096188      -1.04449151       1.96898063
Li       2.13789004      10.41399994       5.95821997       0.25133934      -0.32087327      -0.22705682
Li       1.10439001       7.08477995       9.99226002       2.14574906       1.36794008      -0.45593235
60
Lattice="12.62016507 0.0 0.0 0.0 12.62016507 0.0 0.0 0.0 12.62016507" Properties=species:S:1:pos:R:3:forces:R:3 energy=-534.36581487 stress="-0.025392285289799185 0.006583163805457023 0.0032180785021226543 0.006583163805457023 -0.009084471163193247 -0.0005500862567573425 0.0032180785021226543 -0.0005500862567573425 -0.01565271845464692" free_energy=-534.36581487 pbc="T T T" config_type=melt 
Cl       5.76850001       1.16887994       2.86666999       0.16273341      -0.19811523      -0.10735220
Cl       4.19665000      12.14720003       6.64448006      -1.45125829       1.00899186      -1.06134342
Cl      11.58629995       6.71269003       7.23703000      -0.48714737       0.56025465       0.53511573
Cl       4.39675004       8.62699996       7.28906004      -0.45165300       0.31497389       0.61200193
Cl       7.12028994       6.82810005       6.60954000       3.48158695      -0.96590565       1.98701538
Cl       0.84028201      11.58439998      10.65459998       2.35929085      -1.58026558      -0.53140733
Cl       9.74028000       3.16948000       2.54052000       0.40595327      -0.09009423       0.26643634
Cl       2.11193995      12.25770005       3.48741994      -0.89638822       0.13124586       0.62067345
Cl       0.79216902       3.46125998       5.97550000       0.99663297      -0.65435418      -1.51152178
Cl      10.99979999       9.15869004      12.29620001       3.56439063      -2.57388270       0.97338092
Cl       9.57420002      11.44130005       1.62634995      -1.98458514       1.66052221      -0.43802173
Cl      11.15880006      11.84670001       6.13317003      -2.15528899      -0.55915796      -0.15715869
Cl      10.23190004       0.93703703      11.15509995      -3.45563926       1.00199190      -0.51670974
Cl       4.08447995       6.55629994       4.57067005      -0.96888184       0.09746414      -0.78180836
Cl       2.60393002       7.35500002      10.82730000      -0.69826567       0.99153845       0.67593059
Cl       0.42530196       8.28766997       3.68391995      -1.74683418      -0.60367298       0.35046873
Cl       5.39384000       6.26945002       1.02499996      -1.62110992      -1.02876519      -2.83534163
Cl       0.81919801       2.77060996      10.11339998       1.59700967      -0.78824802       0.70444115
Cl       5.06203996      12.46873003      10.73780006       0.46012571       1.44319107       0.54426710
Cl      12.34359996       1.28466996       0.45276306       1.09982247      -1.28777861       1.10568748
Cl      10.83540000       5.25177001      10.95190002       0.33827858      -0.28151097      -0.66419254
Cl       8.10501000       8.02652001       3.55203998      -0.04143634       0.09208888      -0.14306756
Cl       6.30438996       4.33807005       4.39223997       0.52935641      -0.32477728       0.21582868
Cl       8.99656004       4.06876002       7.39037005       0.27630874      -1.09337108      -0.22423113
Cl       0.51311294       4.29585005       1.06209000       0.23196750       0.74590472       0.56835257
Cl       7.35755005      11.82689999       7.12068003       0.43922121      -0.59775926      -0.03188439
Cl       7.41253005       6.43094005      11.73499994       0.42264727      -0.19441285      -0.50677728
Cl       4.39799994       9.64147004       1.27210999       1.21257759      -0.43049636      -1.45526550
Cl       7.56813997       9.48605006      10.73450001       0.45248421       0.99630185      -0.52014051
Cl       5.27338002       3.00423004       8.32884995      -0.24901947       0.23688217       0.07876673
K        7.37934003       0.99870396       9.47486001       0.42513774       0.06405514       0.24302642
K       12.46119996       7.81100003      10.33159998      -0.04389678      -0.26099237      -0.45418507
K        0.95592601      12.43983806       6.05721002       1.98468377       0.43215222       0.36574114
K       12.11889994       3.87163002       8.19738998      -1.85166581       0.88322913       0.34789989
K        9.22412004       9.06891006       6.76100002       0.05013933       0.55072017      -0.14321850
K        1.53957003       6.90311002       6.11060000       0.33368585      -0.10525042      -0.24055940
K        3.31792002       4.33998996       0.20840802      -0.25022712       0.05023079       0.22670500
K        2.99288994       0.54719496       8.82290001      -0.60890937       0.91374546       1.11210024
K        3.89837997       2.20442001       5.22562001       0.36752636       0.20848967      -0.27189240
K        8.46111004       6.12587002       9.25549996       0.65778395       0.37340081       0.09162635
K        3.88821998      10.21410006      10.54409996      -0.99967196      -1.71782888      -0.12976192
K        2.79791003       9.14221997       3.29000005       0.87502243       0.16797536       0.84906488
K        3.55586995      12.21700001       1.28104999       0.48592803       1.19327345      -1.22392468
K        8.88486994       1.04920001       5.53042994      -0.10745112       0.30510938      -0.15554617
K        6.97660999      10.65920003       2.43945999      -0.22620361       0.06100344       0.18350999
K       10.32559997       6.29792995       0.82578006      -0.21154350       0.14757029       0.47360156
K       11.80839996      10.52949994       2.15590999       2.41301036      -0.84767834       0.62131571
K        4.33145999       5.76251995       9.89154997       1.50441056      -1.07872870      -0.89726014
K        9.63094003       6.00633005       5.18344998      -0.05948214      -0.34293433      -0.47734884
K       12.54195412       2.12832004       3.14241997       0.77606937       0.58900062       0.61949402
Li       6.80710994       4.23437003       7.34100994      -0.10221587       0.20974934      -0.92704814
Li      11.81250000      12.57970003      10.75460002       0.39391069       0.22153256      -0.11307932
Li       9.53584001      10.12389995      11.93600005      -4.02960922       2.64909814      -0.74865019
Li       5.45256996       7.22411995       5.97290996      -2.76229899       0.98114796      -0.92679562
Li       6.13289996       8.39674000      11.81800504       0.00726341      -0.95638776       0.99302466
Li       5.56315996       6.65416995       2.79485999       0.66175574       0.59638061       3.92915101
Li       5.42035004      10.64640003       7.04560002       1.03324732      -1.06887842       0.30895219
Li       7.66009996       3.60314004       2.81941000      -1.00665041      -0.24610565      -0.01741160
Li      10.50259993       1.23921995       1.57819998      -1.09850409      -0.54773484      -0.96308893
Li      12.32349995       3.14685999      11.98080000      -0.43412466       0.54587165      -0.42758511
60
Lattice="12.62016507 0.0 0.0 0.0 12.62016507 0.0 0.0 0.0 12.62016507" Properties=species:S:1:pos:R:3:forces:R:3 energy=-533.74691719 stress="-0.012303460401361512 -0.00248580666344473 -3.636741994831136e-05 -0.00248580666344473 -0.018185141289511444 -0.00051627145176228 -3.636741994831136e-05 -0.00051627145176228 -0.014088953637788596" free_energy=-533.74691719 pbc="T T T" config_type=melt 
Cl       6.03216000       1.68328001       2.80519994       1.21178623      -1.05609165      -1.99576864
Cl       8.34167002      11.29840003       6.58577004      -0.28434695       0.73205576      -0.31447959
Cl      11.74740001       9.67211003       8.93975996      -0.00050346       1.54267612       0.38633834
Cl       2.92763006       8.81594996       7.18037000      -0.39053883      -1.50576274       0.63026894
Cl       8.50110006      10.54610000       1.57626001       0.82142248       0.60263370       0.04433267
Cl       0.14753490       0.83589398       8.03205004      -0.07408444       0.21143411      -0.19086379
Cl       5.85705003       9.10763996       0.96217501      -0.86224071       0.23173391       0.23824339
Cl       4.31575003      11.71459995       3.77221997       0.79490923      -0.03507627       0.31152635
Cl       8.40344005       7.25936996       8.37722001       1.51257827      -0.46426768      -0.41167433
Cl      11.59169999       8.03138004       5.45290994      -0.63507413       1.52829324       0.48553923
Cl       1.74624997       5.40425996      11.64960004       0.61122671      -1.27291316       2.16550850
Cl       1.18397000      11.05910000       0.38521704      -0.71621895      -0.61397546      -0.03554566
Cl      11.84140005       5.28349003       4.92798995      -1.00028480      -3.74063769       0.89407242
Cl       2.41701995       5.02630003       4.33024000      -2.55238677      -4.02059448       1.78600285
Cl       7.11384999       9.60103995       9.89199003      -0.82571731       0.39657144       0.14680977
Cl       6.35109996       6.13817002       5.89062005      -0.02304576      -0.37489130      -0.68730588
Cl      11.88889995       7.01824997       1.92837006       0.97673584      -2.33507728       0.21126561
Cl       3.24330998       0.58175705       8.85522000       0.57365111      -0.40165674       0.19080507
Cl       9.19827003      11.92920005      10.06559996       0.71628913       0.79853518       0.60424251
Cl       8.51726005       4.97489002      12.14930002       2.20773574      -2.30750958      -1.12757789
Cl       7.65099994       2.77471000       8.40660998      -0.07708091      -0.74905137      -1.48592831
Cl       4.74137002       0.60055100      12.56920005      -0.01698730       0.12550292      -0.61428456
Cl       3.98591003       8.32445006      10.89650002       0.10313684      -0.37297875      -0.18433882
Cl       1.02006005       0.04322684       3.00206998       0.34652903       0.58056328       2.13267929
Cl      11.62800000       1.83425997       0.50251503       0.16116082       0.44039548      -0.40848127
Cl       9.51101994       2.47160001       4.53182000      -0.08393588      -0.29852859      -0.14079455
Cl       5.02033006       4.80211996      10.69979998       0.98840462       0.10260518      -0.97317856
Cl       0.45043489       6.56327005       9.58403996      -1.45846807       0.03065123      -1.35320564
Cl       4.61765000       5.40791994       2.55294001       1.18536491       0.56708154      -0.87281652
Cl       2.74722000       8.67377004       3.34891994      -0.27778496       0.44393413       0.34822095
K        8.45884005      12.48649998       3.99695002      -0.32645993      -0.48113529      -0.36173967
K        3.39822996      10.96459995      11.35540002       0.64244284       0.51943439      -0.65923565
K        0.18204702      10.34709994       6.35193996       0.28406352       0.18647520       0.01344583
K        1.68627995       2.87226994       9.96641001       0.39907793       0.12837221      -0.31737749
K        6.73260995       6.44204996       0.32066098      -2.47687782       1.63933435       0.68975963
K        6.42285002       0.10232506       9.50944002      -0.15243643      -0.12646476      -0.00559180
K        5.54918994       7.37679997       8.33911999      -0.27661117       0.05771248       0.52938891
K        9.95160996       1.15191995       7.99983001      -0.45724138      -0.58038152      -0.13776241
K        3.58086002      11.15630000       6.40079994       0.42841246       1.61038611       0.29774094
K        9.22124997       4.72304996       6.28126994      -0.42302958       1.04159627       0.24941346
K       12.43899995      12.03309998      10.52650000      -0.48802819      -0.11097710      -0.00275825
K        2.34281994       8.01182005       0.61930797       0.09315371      -0.40923149      -0.03272102
K        3.95288003       3.72468006       0.27780706       0.00687052      -0.63662077       0.68325178
K       12.23270000       2.35522001       5.65419994       0.57546312       0.37191997      -0.63699213
K       11.09460002       8.96245998       0.70063004      -1.25927567       2.58627537      -1.44857079
K        5.89055998       8.52973004       4.08334994       0.00737145      -0.01004428      -0.36065779
K       11.39480005       4.91328001      11.74400001       0.21369097       0.25957076      -0.03829119
K        5.73269004       3.08989004       4.78670998      -0.55623053       2.15122101       2.20718550
K        8.84586000       2.28784006       1.39301003      -0.39162146       0.14719509      -0.02500162
K        0.81764598       4.37691000       2.17085997      -0.26527238      -0.27987870      -0.24877654
Li       7.11408006      10.20699995      12.00770000       0.30990547      -0.12118598       0.36207151
Li      12.39510803      12.61171335       1.42932999      -0.39202194      -0.17622157      -0.86400656
Li      12.55008630       6.77179001       3.93590994       0.90420997       1.70891045      -0.06856831
Li       2.55402004      11.01540002       2.88017003      -0.65094553      -0.50382554      -0.46665227
Li       2.41795005       7.42850996       9.79331006      -0.04571006      -0.13170994      -0.50058985
Li       7.69491003       3.90683005      10.01160004      -0.64136637       1.64458066       1.79045248
Li       8.88707001       9.40593005       7.27179994       0.23898923      -1.11946966       0.98073247
Li      11.52680003       7.72144002       8.63902004      -0.56610769      -1.19935712      -0.77478456
Li       5.21871994      12.46219998       1.92323996       0.21667007      -0.12658939      -0.14883801
Li       3.17888997       6.63991004       4.10695003       2.11668309       3.17445435      -0.48413848
60
Lattice="12.62016507 0.0 0.0 0.0 12.62016507 0.0 0.0 0.0 12.62016507" Properties=species:S:1:pos:R:3:forces:R:3 energy=-532.5853014 stress="-0.010257545601803855 -0.00020468913086264405 0.0005159735507732108 -0.00020468913086264405 -0.01544642287168244 0.005653305042909287 0.0005159735507732108 0.005653305042909287 -0.007759381324508715" free_energy=-532.5853014 pbc="T T T" config_type=melt 
Cl       7.32851004       1.72163005       7.70755998       0.43930678       0.24117752       0.22993439
Cl       3.99113995       9.55092995       4.68745996      -0.03502345      -0.30345182      -0.30056551
Cl       0.86860204      10.86200002       6.46348001      -4.47113281      -1.39047244      -0.48599693
Cl       7.40759999       5.26324994       2.09107995       0.01055670       0.11453680      -0.07869013
Cl       8.78823999       8.56000998      12.06960002      -0.64735412       0.08778969       1.11650475
Cl       4.08908997      10.02570005       8.17206005      -0.49118628      -1.25864714      -0.06420387
Cl       6.68946994       4.38056997      10.18689994      -0.51291153      -0.11160520       0.33135811
Cl       2.54611994       5.50162996       2.14696002      -0.34179669      -0.05547213       1.26383465
Cl       0.68901205       4.42403004      11.45249995      -0.22578933       0.80005204       0.42787876
Cl       4.14155995       1.67231006      11.18379997       1.05548824      -0.87981925       0.39151377
Cl       0.64317498       6.36897996       8.27146000      -1.24302789      -0.24648811       1.06181604
Cl      12.51519104       3.13346003       8.30407997      -0.18414799      -0.82641140      -0.87268362
Cl       4.58555995       2.76413998       4.85107005      -0.27446813      -0.75214750      -0.11206946
Cl       0.77803494       6.35676995       5.04888003      -0.98658507       4.28405897      -2.40025411
Cl      11.77809995       7.29629997      12.14740006      -1.94847242       0.79954711       3.40852404
Cl       4.16532006       5.37390001       7.70936000      -1.06418102       1.43978179      -0.35009418
Cl       0.70186897       0.43543494      12.03569999      -1.31304253       0.14381217       0.20351751
Cl       7.40968004       7.05345998       5.48407998       0.14154279      -0.04674417      -0.22313112
Cl       2.91547999       0.15818506       7.61249998       0.27447821       3.08522819       1.22079817
Cl       6.97194002      10.99870001       5.72994995       0.96301596       0.00188064      -0.36876965
Cl       7.36046998       8.90428001       8.78745993       1.12050584       2.08779051       0.29777388
Cl      12.11179996       9.65588997       9.83475001      -0.32301486       0.14140771       0.20061534
Cl      10.79289995       9.45749996       3.71013002       0.01043396      -0.35229400      -0.52177012
Cl       4.02780001       9.04672999       0.03393487      -0.46241898      -1.33438009      -1.24426708
Cl       9.43409006       3.62317001      11.90399998      -0.22613271       0.02919416      -0.39897748
Cl      10.62559998       3.61539006       4.75532994       1.84752958      -0.05555709       0.46178116
Cl       6.50063996       0.04377695       1.60850995       0.20101027       0.66182432      -0.11715967
Cl      10.88060000       1.05869000       1.68990005      -0.31736448      -0.44022016       0.43405650
Cl       2.01575006      12.21540003       2.60666001       0.04290722      -0.12902970       0.07825629
Cl       9.67161002       5.48780003       8.61855000      -0.76851362       0.34817347       0.07585313
K        4.30158995       2.72724001       7.64929003       0.56224824      -0.91713669       0.66226418
K        1.54366994       2.82058998       1.57949001      -0.17805596      -0.68828242      -0.14931011
K        4.70921005      10.62000003       1.90915005      -0.58646000       1.15743984       1.63172001
K        2.55290997      11.24930002      11.37400000       0.48609386      -0.26805642      -0.65382662
K       12.61396112       0.70518996       5.28189005       0.14950352       0.29845231      -0.56073906
K        4.92784003       5.11188999       3.87293002       0.38196853       1.56738507      -0.06693977
K       10.70600002       7.51316994       6.40156005      -0.09413759       0.30770729       0.51158539
K       10.08380001       6.07954001       3.73183998      -0.48394630       0.47708098      -0.66984870
K        1.80411999       2.23456997      10.26239995      -0.74444985       0.07683385      -1.36937539
K        0.99000298       8.19731994       2.95623000       0.46933420       0.28525091       0.09341239
K        6.66667994       8.32736001       2.84777003       0.21182066      -0.40332813       0.43848318
K        5.79826000      11.26390003       9.98282998       0.47816552       0.25023453      -0.11845960
K       12.13869997      10.22880003       0.81443705      -0.01680135       0.50789581      -0.14294737
K       11.45719995      12.10310000       8.39194005       0.17406400       0.17146539       0.05630622
K        4.95702996       0.04024293       4.87993994      -0.39365730      -0.31724143      -0.13581536
K        6.57680001       6.48917000       8.67551995      -0.21091071      -0.36001961      -1.10257627
K        8.83041999      11.13969994       1.56358002       0.58007083       0.03467367       0.24519588
K        8.27994000       2.58223999       4.48461995      -1.61401619      -0.66969879      -0.02610554
K        6.39297998       2.83787999      12.28940001       0.44736309      -0.54735205       1.47587155
K        3.32077003       6.03974005      12.37190005       0.50271304       0.27950344      -1.67062669
Li       2.66889005      11.17870004       6.57503003       3.32500873      -1.62190379      -0.61077789
Li      10.85299995       2.20501998      12.47540004       0.82735775      -0.43911735       0.13701399
Li       9.88327000       9.14731006      10.38549995       0.22627098      -0.17904374      -0.80399410
Li       2.24324999       7.46319005       7.68882005       1.52489783       0.61326630      -0.52102696
Li       9.42529002       5.82431004      11.81500005      -0.05072851       0.66528662      -0.01901822
Li       5.75843998       9.38127997       6.52631001      -0.03929640      -0.21187699       0.21869908
Li       1.02860996       4.82380999       5.88228001       0.48240265      -4.43513873       3.00182040
Li      11.54939997       4.87685999       9.26346997       1.02675873      -0.51348520       0.09738354
Li       0.17493505       6.85006999      10.68569998       2.09961136      -0.96397319      -3.03421915
Li       8.39841003       3.46175999       9.27701999       0.18659498      -0.24033635      -0.57953254
60
Lattice="12.62016507 0.0 0.0 0.0 12.62016507 0.0 0.0 0.0 12.62016507" Properties=species:S:1:pos:R:3:forces:R:3 energy=-534.60695427 stress="-0.006385203832828266 -0.004342763363084021 -0.0033215436993099833 -0.004342763363084021 -0.016940874706090334 -0.0023396345517314393 -0.0033215436993099833 -0.0023396345517314393 -0.008559613654300054" free_energy=-534.60695427 pbc="T T T" config_type=melt 
Cl       8.54379004      11.69239994       8.83868998       0.22230443      -0.22317372      -0.02285625
Cl      11.91390000      10.94430003       7.35271994       0.63674309      -1.21633879      -0.14561627
Cl       8.78378999       2.86196999       0.43055296      -0.07287727      -0.27149928      -0.03294550
Cl       8.46032999       2.82296005       8.93945001      -0.02657856      -0.21526616      -0.23538041
Cl      11.37899998       6.38480994       5.17958998      -0.44474134      -0.00577049      -0.16971273
Cl       1.80991996       2.36964006       8.83834999       0.32318682      -0.48697686      -0.17154485
Cl      11.28170002       1.97187997       3.76531005       0.27272638      -1.22113906       0.36741313
Cl      12.03179998      11.37169997      12.19459998      -0.62593155      -0.73702103       0.48561709
Cl       4.46604004       6.12909006       1.47482997      -0.43979492      -1.01561767       1.91822653
Cl       2.02427006       0.23865502       5.79725998       0.80110551       2.51500439      -0.61967927
Cl       2.81736995       9.39507999       8.89589000      -0.32782707       0.86603880       0.39509871
Cl       2.91490994       7.61819003       5.78987996       2.28584881       0.96390414       1.22606690
Cl       5.15985999      10.48050001       4.73054999      -0.32561726       0.19988343      -0.30740024
Cl       9.44246001       8.68050997       8.45491000      -0.19002037      -1.31408386      -0.15573996
Cl       5.91226994       5.26352001       9.69382997      -0.21842767      -0.67873638      -0.85377694
Cl       6.56651003       7.85818998      10.84439994       0.66003724       0.78002229       1.38538083
Cl       8.20146996       6.35536003       1.80235998      -0.00641385       0.15461359       0.21432008
Cl       6.59237998       5.84060003       5.46809995      -1.45678452       0.47598515       0.89412866
Cl       3.47372000       9.08360006       0.43371898       0.16870997       0.71876375       0.31485152
Cl       1.64610000       4.23250995       5.77930994       0.22542034      -0.08609584      -0.37838493
Cl      11.26000002       3.97807997      10.06769996      -0.64105149      -1.41761768      -0.32784331
Cl       4.85136006       0.64193101      11.29740001       0.41917946      -0.40122106       0.26552959
Cl       9.73510005      10.63700002       2.89663998      -0.33449227       0.28181672      -0.27766649
Cl       5.71689995       2.24019995       6.92914000      -0.81066025      -0.03347286      -0.06461172
Cl       0.06431552       5.69714005       0.46408095      -0.46637037       0.51547158       1.32509800
Cl       2.20463001      12.49560000       1.87748000      -0.30887222      -1.01833785       0.80205283
Cl       0.55041096       6.63136998       9.97929002       1.34719788       1.24875751      -1.31821988
Cl       2.75086004       3.82380994       0.39159299      -1.41983508      -0.24713353      -0.12899004
Cl       1.02482000       8.10488001       3.20619004       0.04406424       0.12395642      -0.43480550
Cl       6.05902000       1.51817999       3.18741994      -0.86904589      -0.13801121      -1.00049019
K       11.06980000       1.22912003      11.35150001      -0.69173211       1.08261507      -0.26465273
K        6.76271006       4.22942002       3.50610006       0.19509248      -0.62496984      -1.63546928
K        8.66320002       5.09724997      10.82780001      -0.33648851      -0.04173470       0.54963240
K        2.12194004       2.35017005       2.86947003      -0.16104787       0.76382712       0.86951271
K        5.19444000       2.83548001       0.38999894       1.35440280       0.33884911       0.16518539
K        2.23677004      10.40379994       6.16473004       0.06311710      -2.29280670       0.26415540
K        6.51196997      12.04580003       0.95421598       0.00039591      -0.00070793       0.08857518
K       10.06919999       8.36195996       1.01382998       0.33332415      -0.01152897      -0.15944093
K       11.06389995       4.43944999       2.73886003      -0.48325058       0.83945590      -0.44123222
K        2.03991995      12.06739995      11.90039995       1.27125007       0.11700837      -1.23938528
K        3.13213996       4.92671002       9.68240998      -0.87543702      -0.02199095       0.47048701
K        7.81315000       0.55251600       4.95466002       0.54838931      -0.38052044       0.74323182
K       10.85999998       9.28268001       5.10413995       0.40208095      -0.25864927       0.36539696
K        5.41885001       8.62540995       8.48092004       0.30197471      -0.16199640      -0.55223597
K       11.83470000       5.60239996       7.87240003       0.11663429      -0.30496671      -0.85013147
K        1.04265002       8.94382996      11.21190003       0.37659191       0.32704971       0.50752825
K       12.15840004       0.82085504       6.77717996      -0.39196330       2.22703418      -0.19891396
K        4.10246003      12.56519996       8.76310996      -0.38063264       0.05846317      -0.93301087
K        8.38465998       6.49650004       7.15370006       1.19761063      -0.37585666       1.07769581
K        6.74925002       8.26915998       3.99208003       0.08786624      -0.22388882      -0.60321663
Li       7.62667002       0.83333600       9.43397004      -0.25958362       1.02579033       0.06522077
Li      12.26930000       5.33068996      11.09339996      -0.02863695      -0.62402321       1.29677582
Li       2.98288000       2.40415003       6.44187997      -0.25978101      -0.15815085       0.32786856
Li       1.83927005       5.89576996       1.91311001       0.56504907       0.46977901      -0.59048757
Li       1.49593000       6.57025001       5.04697994      -1.87183915      -1.20905407      -0.81481976
Li      10.57060003      10.33490003       8.80885995      -0.47336231       0.73804775       0.53347815
Li       5.48568994       4.40348996       7.71191003       0.63932156      -0.38381470      -0.46305368
Li      12.52809996      11.94280005       1.87218003      -0.11917757       0.00732258       0.16051903
Li       5.42201994       7.24923004       0.16944805       0.70372980       1.24432288      -1.39699730
Li       3.42612002       9.67200995       2.94603998      -0.24508056      -0.28160942      -0.29033498
60
Lattice="12.62016507 0.0 0.0 0.0 12.62016507 0.0 0.0 0.0 12.62016507" Properties=species:S:1:pos:R:3:forces:R:3 energy=-533.97543923 stress="-0.009420540066589893 0.00022999213396086528 0.0016963824117236803 0.00022999213396086528 -0.017034946544390372 0.0007884720658133325 0.0016963824117236803 0.0007884720658133325 -0.01396293531535222" free_energy=-533.97543923 pbc="T T T" config_type=melt 
Cl       6.73696000       1.49152001       5.41188999       0.09967267      -0.06599116      -0.11682928
Cl       9.30581996       0.31059703       9.83973006       1.33035630       0.04856094      -2.87701342
Cl       7.06680000       3.05705995      10.89429995       0.82773236       0.15773220       0.10098330
Cl       7.83837001       8.87856995       6.29887002       0.13518082       1.06234887      -0.30588184
Cl       0.86235102       5.06413995       6.65695004       0.06282249       1.76002395      -0.99164439
Cl      10.59169994       2.11611003       5.03458996       0.48309532      -0.36866737      -1.84266944
Cl       7.38605004      10.83950004      12.55129998      -0.17209144      -1.17573822       0.33976248
Cl       1.61391997      11.82190000       1.48258002       3.41709181       2.39565067      -1.78111817
Cl      10.80290004       6.89036000       4.59707004      -0.80352677       1.00855276      -0.59161015
Cl       0.59438794      10.26440000       4.20211996      -0.18448771      -0.65960285      -0.79623542
Cl       4.04387003      11.16709996       8.37060995      -0.18360191      -0.36529600       0.20517662
Cl       0.76489394      11.17950003       7.14506004      -1.91240786      -1.88488291       0.06255574
Cl       3.67552994       4.17641003       9.03494995      -0.09746806      -0.07006045       0.02346652
Cl       4.54995001       5.97095005      11.81809994      -0.61643892       1.35967455      -0.43618307
Cl       9.90063005       5.66794001       8.61016996       0.01145403      -0.58843583       0.48658743
Cl       9.31849995       9.02810995       9.72581994      -0.97162672      -0.33883711       0.04091328
Cl       4.17763002       0.81193094      10.87359998      -0.55296234       1.36329945       0.15809264
Cl       3.88908004       7.27735004       6.05839000       0.17038101       1.59477654       0.59208538
Cl       7.97040003       7.03276001       1.56253999      -0.25287086       0.22092317      -0.11807585
Cl       3.29999005       8.29654006       1.15647003      -0.75589896       0.86733262       0.08950847
Cl      12.52959999       2.96928998       9.60040995      -0.81228748      -0.21819773       0.95731631
Cl       4.41345005      11.16999995       3.36400003       0.10921081       0.41824970      -0.79582357
Cl       1.68949002       1.38685001       7.03670002       0.89678637       1.21449007       0.22269853
Cl       7.44599002       5.79445995       5.69959000      -3.03153812      -4.39030985       0.84779416
Cl      11.76209998       9.80511004      11.80319995      -0.00470296      -0.59726435       0.23466947
Cl      12.03410000       1.29946003       0.36215406      -0.58826643       0.79089071       0.59703724
Cl       0.99977705       3.87011004       3.62607000       0.07876889      -0.20278051      -0.49797581
Cl      12.57520005       5.53807006      12.50500001      -2.53706279       2.03523179       0.71361121
Cl       4.25753005       4.82053997       2.45915994       0.11562890      -0.07190425      -0.48335279
Cl       8.73506000       1.84756995       2.37581006       0.03174460       1.13726168      -2.88008533
K        8.56588000       0.59732200      12.12810004      -0.64445056       1.38197055       2.66545618
K       12.01650004      11.05869994       1.76339005      -3.95990204      -0.78681224       0.43114172
K        9.71777004       6.63837001      11.63569994       0.02555569      -0.03673544      -0.41615603
K        0.70250603       0.90708698       4.39159003      -0.18842983      -0.12052279       0.11017722
K       11.29160003       3.63618998       1.87234006      -0.40566003      -0.25499889       0.46966020
K        0.27183697      12.35260003      11.02099997       0.26829715      -0.03478835      -1.23694550
K        6.96075995       9.89065002       2.95978005       0.14365266      -0.31185724       0.04638533
K        0.49931494       6.65443005       2.84962002       0.58583470       0.36635942      -0.09534166
K        1.86802005       7.69811000      11.00979995      -0.20488694      -0.01681236       0.06230449
K        1.89927995       4.20240997      11.97710002       2.36396350      -2.03805409      -1.02298085
K        3.87751997       4.79588005       5.42565998      -0.38497830      -1.63762426      -0.32347036
K        3.40074995       1.70778005       1.33261005       0.14670405      -0.07544107       0.25603357
K       10.83060004       9.08848999       7.41913002       0.37456513      -0.05653145      -0.59389286
K        3.10644997      10.01519995       5.45792002      -0.05896477      -0.30376584       1.21073635
K       10.02710001       2.45909999       7.47172999      -0.53134239       0.24433027       1.80388827
K        4.44158999      11.09270005      11.99209997       0.08404967      -1.15405135       0.68964561
K        6.33274999       9.89372997       8.44403003       1.45143307      -0.35835939       0.26955484
K        4.85099004       1.29574996       7.70974996       0.00619734       0.52926656       0.27926432
K        5.75831996       6.12650999       8.15389004       0.35137392      -0.05410038      -0.00506986
K        7.16312000       4.50417995       2.99421998       0.15783515      -0.31669794       0.23386513
Li       2.21941996      12.09700004       8.05675995       0.27571932       1.29001103       0.44277475
Li       1.16420001       3.74361005       8.03383996       0.97062627      -1.66563425       1.10726002
Li      10.25739997       3.23692998      10.48419999       0.23848091      -0.12598481      -0.56141664
Li       5.32644996       4.19529005      11.35700000       0.34904633      -1.40177015      -0.84615456
Li      11.72720005       5.33773996       5.51202999       0.13242823      -1.22981890       0.57274064
Li       9.33556001       9.71904998      11.70249999      -0.00652103       0.73765440       0.25471182
Li       8.48843005       7.16308997       5.25441999       3.02109994       2.99261234      -1.22087942
Li       2.27305996      10.20799998       2.47638003       0.98465173      -1.06180958       0.88268948
Li       4.96321006       6.89930000       1.10669004       0.39253909      -0.52254092       0.66028575
Li       8.50611001       0.92097598       4.02134000      -0.23160500      -0.41452395       2.71597179
60
Lattice="12.62016507 0.0 0.0 0.0 12.62016507 0.0 0.0 0.0 12.62016507" Properties=species:S:1:pos:R:3:forces:R:3 energy=-537.78013616 stress="-0.005807264286102357 -0.0002829937749145316 0.0003901287173244964 -0.0002829937749145316 -0.008601752354318214 0.003678706444397519 0.0003901287173244964 0.003678706444397519 -0.0091822285314925" free_energy=-537.78013616 pbc="T T T" config_type=melt 
Cl       1.26530999       2.73752002       9.86291999       1.05137211       0.07222073      -0.43461054
Cl       1.99810997       6.33939994      11.25019996      -0.19146261       0.02620728       0.27528309
Cl       3.06749998      10.28609999       1.35902002       0.13567333      -0.25472411      -0.37796532
Cl       8.19662003       5.53121996       7.87034004       0.68110703       1.86150830       0.49433498
Cl       0.44507006       4.42853998       4.93725000      -0.40352614      -1.08850494      -0.59634247
Cl       9.76835999       6.58330002       4.81302000       0.00135801       0.10774924       0.16984229
Cl       2.31960994       0.71039199       5.59175006      -0.20347769      -0.27691677       0.02855582
Cl       6.83605000       2.13806003      10.04480004       0.33605807       1.32456627      -1.30366614
Cl       6.06523000       4.06753006       3.39834997      -0.03776039      -0.01213081      -0.12879431
Cl       9.78972997       1.39544005       3.71820995       0.03375237      -0.61454231       0.52233684
Cl       7.22524996       9.81287005       8.40869004      -0.22908343      -0.03448933      -0.01977672
Cl       0.52134899      10.86490001       3.36233000      -0.21625735      -0.06351028       0.26053877
Cl      12.22029994       8.94167002      10.17970001      -0.04287219       0.41862715       0.54153855
Cl       2.03002006       6.50313005       2.61144002      -0.07783297      -0.19445995      -0.12839368
Cl       1.58779004       2.98569001       1.72167005       0.40389380      -0.81027874      -0.06996977
Cl       9.51558995      10.28400000       1.14414997       0.44314059      -1.60665051       2.37456638
Cl       5.97705998      11.32889994       5.04758003      -0.10289341       0.36193834      -0.46376694
Cl      10.83759994       4.47212006       1.24664994       2.44286741       0.96807474       0.62821832
Cl       5.43639999       7.79448995       3.01418003       0.23875143      -0.25427657       0.55174266
Cl       3.92461994      11.51679994       9.95806997       0.31356032       0.34222088       0.00237208
Cl      11.98559995       6.06510002       8.37620005      -0.41141912       0.31328862      -0.54864021
Cl       5.11499001       1.52359000       0.48121396       0.48802128       0.21683565       0.25801583
Cl       8.76686004       5.21745994      11.93749996      -0.35693671       0.26443844      -0.27910648
Cl       7.33745004      11.72969998      11.77879999      -0.59901380      -0.67264603      -0.22275983
Cl       9.84533000      11.37320000       6.77103003       0.15277991       0.25900141       0.01952969
Cl      11.25259994       0.30515206      11.78890004      -0.35777462      -1.29967790       0.43706679
Cl      10.00759996       2.96440004       7.34461994       1.19415575       1.01020166      -0.32759280
Cl       3.06227006       4.67100995       6.97534999       0.18488412       0.33081011       1.08371494
Cl       0.33618605       8.26190995       5.23683997       0.34775560       0.32772215       0.76462967
Cl       5.38348995       7.83443997      12.05689997      -0.38726801      -0.01061384       0.07902230
K       11.35020000       2.63548005      10.58219999      -0.91969878       1.47292576       0.05092357
K       12.24990003       8.43274003       1.73067997       0.22944481       0.26755815       0.51289056
K        2.62723000       0.47629096       0.01953488      -0.62548935      -0.18881557      -0.25789726
K        5.81916998       8.65918000       6.04319999      -0.01201956      -0.42063139      -0.02132465
K        8.38873995       6.56706999       2.27626005      -0.41956317      -0.13251507      -0.38889890
K        9.51208003       8.21153996       7.92574005       0.28029732      -0.40642999      -0.30345063
K        6.78395005       5.17622999       9.97333003      -1.33354447      -0.01189538       1.25733128
K        3.78127998       4.74938004       0.72424098       0.32125079      -0.16288281      -0.11510253
K        8.73996003      10.91430001       4.06422004       0.52749848       0.28072672       0.17192609
K       12.27039997       0.60973002       2.27752005      -0.23764423       0.50366253      -0.51744966
K        7.83899004       4.14376999       5.81208994      -0.19253751      -0.86663615      -1.81040237
K       12.17839998      10.44050001       7.96843003       0.52957092       0.36268137      -0.69158186
K       11.37110001       6.60828997      11.32879999      -0.35590050      -0.87486103       0.43665103
K        2.47717005       9.31901006      11.10199998       0.23727854      -0.41059878       0.29196555
K        4.79519995       1.37497998       3.69526005      -0.18085014      -0.16853281      -0.05417853
K        6.10745001      10.36630001       2.01309995      -0.27783191       0.21129362      -0.67014245
K        3.50129998       1.28323996       8.23497006       0.00188080       0.47868665       0.00108949
K        9.17717000       0.98812195       8.79049004      -0.73543867      -1.59112129       0.69539876
K        8.80461995       2.93183005       1.70989001      -1.70008875      -0.36914299      -0.57800370
K       11.84319994       1.54600000       5.79606006       0.55523664      -0.56788452      -0.34275785
Li      11.82210003       4.60010999       6.82236999      -1.20660300      -0.94379135       0.04526414
Li       0.36609597       4.60752004       2.42271997      -0.46415547       0.40384668       0.02534754
Li       1.17754002       5.67735996       9.34207997       1.18139969      -0.78175680       0.16857125
Li       6.13516995       0.63937000      11.10870002      -1.38064470      -0.17877823       1.08288965
Li       1.72819998      10.13840002       5.10725006      -0.23532240       0.09134036      -0.71002340
Li       9.28868998      11.18920002      12.07770002       1.10527120       1.03470264      -1.60989050
Li       0.55964097       6.21057001       5.95653997       0.35668347       1.52014621       0.48336679
Li       2.80663006       4.78250002       4.94505999      -0.04018183       0.00896159      -1.14729297
Li       3.67896994       7.78394000       1.49882999       0.33516830       0.64469926      -0.03882586
Li       6.08385005      10.60040003      10.05090000      -0.17501922      -0.21694626       0.44368365
60
Lattice="12.62016507 0.0 0.0 0.0 12.62016507 0.0 0.0 0.0 12.62016507" Properties=species:S:1:pos:R:3:forces:R:3 energy=-535.44811741 stress="-0.005144292559883046 -0.0009325982045936493 -0.002237426475621682 -0.0009325982045936493 -0.012671481649671567 -0.0006062949473791249 -0.002237426475621682 -0.0006062949473791249 -0.006475496612114839" free_energy=-535.44811741 pbc="T T T" config_type=melt 
Cl       0.44093204       1.03377994      10.25000001      -0.04571599      -0.25478594      -0.64089503
Cl       1.83583005       4.21827995       7.99579004       0.09279686      -0.44005249       0.09407578
Cl       6.86978004       1.78849004      12.05459994      -0.00688960       0.53209333       0.21976901
Cl       8.96428006       8.49314002       1.96161006      -0.47429932      -0.03337420       0.22704249
Cl      10.26460003       5.49083001       0.57920803      -0.10116823       0.11648830      -0.96498823
Cl       5.15905003       3.44758994       6.30224996      -1.22924625      -3.26533888      -0.22017311
Cl       3.26255006       3.77158000      11.79750005      -1.58050689       0.07423278      -1.89885774
Cl       9.94890004      11.81840005      12.13709998       0.56673753       0.20688820      -0.03171602
Cl       9.11342996       9.32767998       5.62232998      -0.56779668      -1.54998818      -0.10719650
Cl       1.77717000      11.30399998       3.02530004      -0.26225350      -0.12654433      -0.22352677
Cl      10.50729994      11.46300005       8.53076994       1.72163531      -1.75227190      -1.92162211
Cl       3.86816994       4.37759994       2.86130995       0.56725742      -3.19108865       0.41322686
Cl       8.27204003       5.61413003       7.39080002      -1.94352201      -2.28590022      -1.18496593
Cl       0.88329103       1.19239005       5.69786003       0.84794862       0.93222033       1.89898304
Cl       5.47325996      10.36899996       7.38055005      -0.08400664      -0.55140535       0.21273048
Cl       6.31787006       5.75070003       0.90940998      -1.60691399      -1.16065466      -0.46290632
Cl      11.56619993       4.71952994       5.16523000       0.01155907       0.00973847       0.20350191
Cl       4.18372001       0.28711595       6.18715998      -0.31586694      -0.12124389      -0.67272099
Cl       0.11893004       8.40903002      10.36940002      -0.51694651       0.66956276      -0.66721778
Cl       9.47212004       2.24181003       9.10716001      -0.50505433      -0.03213483       0.05325398
Cl       3.26711994       7.44198994       4.52389000       0.43733745      -2.02043765      -0.72986555
Cl       0.08810730       8.78921994       5.85694996      -0.09310901       0.90529840       0.40973471
Cl       2.96428003      11.25379999      10.91870003      -0.53062803      -0.13716787      -0.25810790
Cl       0.32242099       2.01389994       2.75799005       0.36291925       0.12025331      -0.38978593
Cl       8.00139995       8.81224998      10.94889996       0.30726172      -0.55761141       0.17402233
Cl       8.39771996       3.86885005       2.63727994      -0.78564050       0.06016165       1.00278865
Cl       5.15451005       7.02612003       9.25657999      -0.59218922       0.14021729       0.11479686
Cl       1.57198997       7.90284997       1.22971999      -0.04321592      -0.58926198      -0.15230655
Cl       9.88083002      12.20949998       3.92469995       0.28301195      -0.50709899       0.65385022
Cl       5.58443995       9.92036004       2.74572994      -1.38904453      -0.27640592      -0.59039250
K        5.35081003       5.78458000       6.58801996       0.17367819       4.22832810       0.15373689
K       10.52670003       8.74812995      12.20780004       0.29552475      -0.09369393       0.02468153
K        0.23597803       0.35465503       0.42140700       0.21115822      -0.44915553       0.04745758
K        7.36755002      10.98670000       0.74028399       0.34457827       0.05817859      -0.13584608
K       11.64290000       8.52031994       3.04810001       0.22031416       0.03450486       0.09619654
K       11.80239995       2.69957004       7.50971996      -0.18802390       0.00631348      -0.01793079
K        6.72696003       4.79028994       9.87080999       0.22127006      -0.43782151       0.42604912
K        1.25467006       6.17947001       6.06699001      -0.34320384       0.40023629      -0.02557429
K        1.44037995      11.53949996       7.36252997       0.25177062      -0.09458513       0.35743853
K        8.94247001       6.32455004       4.53617005       0.04743109      -0.11198689      -0.47786611
K        3.19604999       9.85800999       5.10167005       0.51265559       2.19896397       0.99769727
K       10.09569994       1.80722998       2.39107995       0.31081686       0.17932673      -0.61383997
K        5.55241995       9.88273996      10.26869994      -0.49028181       0.06703839      -0.48750942
K        3.67887996       1.09684000       3.44518000      -0.18027805       0.20290798      -0.24052556
K        0.25666904       3.91662999      10.94259997      -0.02994074       0.04135777       0.26128760
K        9.80534995       7.23203999       8.31918997       1.84351723       2.51138552       1.21837680
K        4.02517994       1.50721003       8.70902006      -0.17248442       0.22230684       0.67551076
K        6.90840002      10.86129998       4.91936003       0.32785763       0.52895767       0.51356614
K        2.50597999       7.09504999      10.76640000       0.78765186      -0.29711520       0.27833862
K        7.51683004       2.18368003       6.29854998       1.06481747      -0.32358310       0.01053372
Li       9.63544000      12.55320853       9.87923004      -0.84944910       1.60358549       1.70594021
Li       8.01339996       3.75259006       0.44157301      -0.15464829       0.05975347       0.19877392
Li       3.06584005       9.16164000       2.05626003       0.54839003       0.78448135       0.29164261
Li       0.18891403      10.92890002      10.17160001      -0.01194584       0.03031403       0.31017002
Li       4.53120994       3.83583998       0.63437405       1.71253127       0.36568811       1.69483598
Li       0.14581301       0.18718204       4.17738999      -0.88415090      -0.78386224      -1.94733937
Li       7.91023996       6.84541000       0.52229298       1.84160791       1.21723456      -0.11469740
Li       2.05178000       3.26995999       5.72687000       0.08628839      -0.36426388       0.19620759
Li      10.74570003      10.18429994       6.39718994       0.90878235       0.68833491       0.52150258
Li       3.29686996       6.16152994       2.67885001      -0.93068614       2.61248187      -0.47934637
60
Lattice="12.62016507 0.0 0.0 0.0 12.62016507 0.0 0.0 0.0 12.62016507" Properties=species:S:1:pos:R:3:forces:R:3 energy=-536.83349231 stress="-0.007863781162721607 0.0005897911364654461 -0.0013141340053687046 0.0005897911364654461 -0.006981804131191577 -0.0023132060172925475 -0.0013141340053687046 -0.0023132060172925475 -0.012515173015062386" free_energy=-536.83349231 pbc="T T T" config_type=melt 
Cl       5.69401996       3.02032997       8.08781994      -1.15912400       1.96761453      -1.53579718
Cl       3.93526997       0.81296100      10.21879993       0.53165191       0.20978176       0.45386961
Cl       4.36742998       5.63849995      10.65879997      -0.49577747      -0.29105737       0.12026103
Cl       0.57327403       4.44879004       4.10126995      -0.49581202      -0.19178031       0.00837552
Cl       0.51582805      11.54889996       3.71085997       0.42306015      -1.03598171      -0.48294097
Cl       0.94843595       7.13067999       1.65368005      -0.48764150       0.32629049      -0.27765020
Cl       5.35687995       1.31902003       3.83223996       0.08706571       0.49109195      -0.07049423
Cl      10.96630001      10.19060005       5.16094003      -2.62011315      -0.71971009       0.10828977
Cl      10.17520004       1.10218994       4.56170998      -0.37890717      -0.14032580       0.75048746
Cl       3.68903995      12.01429997       7.06586005       0.22004276      -0.24930759      -0.18034164
Cl       7.19966005       3.35193995      11.23299994       0.49285545      -0.16501854       0.82416236
Cl       8.43376996       9.83870997       9.11862998       0.81201434      -0.89302010       0.13512463
Cl       9.57932999       5.24207002       8.69472002       0.19702555       0.36602790      -0.44653756
Cl       0.06233491      12.20390003       7.76370003       0.01440724       0.00731691      -0.02950445
Cl      11.44959996      10.02580000       0.94335494      -0.21330041      -0.53025640      -0.49636225
Cl      11.04760000       0.86037597      11.57219994       0.02563265      -0.84012406      -0.35724705
Cl       8.44198998       0.23045103       8.29420003       0.24041704       0.43224654       0.48337026
Cl       6.08228994       9.08920000       2.73403004      -0.18249970       0.15596986       1.13308778
Cl       9.65348999       6.47833003      12.29800002       0.12970040      -0.29885412       0.53972215
Cl       2.61645995       9.93553995      10.45280001      -0.20082078      -0.94824406       0.30391992
Cl       8.45506006       4.13898001       3.52784006      -0.08729417       1.34576980      -0.75432451
Cl       0.87038805       3.40456995       9.51457996      -0.33320902       0.87877405      -0.41923855
Cl      12.61730004       8.25047002       8.21300996      -0.76507318      -0.24752039      -0.12985570
Cl       2.92965004      11.21320004       1.40117995       0.14155986      -0.35966605       0.00590792
Cl       7.30824004      12.57340004       0.85519198      -0.55801848      -0.18028567       0.13356745
Cl       2.86107004       5.95308002       6.32443002      -0.15284190       0.66093123      -0.28488805
Cl      11.77380001       1.70355002       1.89548998       0.72708160      -0.74187520      -2.13303125
Cl       7.19577001       6.80591002       5.69350998       0.03925567       0.34542824      -0.10328860
Cl       6.03502995       8.69788995      12.23670413       0.76153984       0.19716616      -0.27043828
Cl       4.32461999       5.41924994       2.09383998       1.17424735      -0.16934551      -0.43397764
K        8.34955005       2.42983004       1.67900998       0.06688210      -1.48287811      -1.42446688
K        7.06454995       6.23776003      10.89739997       0.54518167       0.25275422      -0.68882511
K        0.84948401       9.74553996       5.81768004       1.50018284      -0.07623692       0.83721814
K       10.18839998       3.28673004      10.67250004       0.16677544       0.35396837      -0.21077523
K        4.54663999       3.22002994      12.43919998      -0.15352354      -0.24033459      -0.10643976
K        5.10529999       4.54369003       4.94936006       0.43883197      -0.02425587       0.02130774
K        1.27782995       1.36644004      11.36569996      -0.09969383      -0.47266707       0.47004577
K        9.02368002      11.48940005      11.65529994       0.37465375      -0.37914043      -0.20017282
K        8.87434005       4.45420006       5.97298998      -0.04218335      -0.39567285       2.28101888
K        6.12716006      10.99870001       9.87159004      -1.21250490       0.36456735       0.22465344
K        2.50655005       0.48391998       3.92661999       1.50714237       0.84417792       0.00400727
K        2.37444001       6.98280006       9.07774998       0.32713295       0.01589595       0.04582259
K        6.48526999       1.02006005       6.53899996      -0.34623879      -0.78630307      -1.10385770
K        9.40927995       7.88651998       7.36105000       0.26698399       0.17085002       0.07414988
K       12.13410004       5.64196999       6.71836002       0.42381112      -0.03558275       0.52555970
K        3.49210998       7.60425005      12.57509997      -0.51381417       0.51659113       0.11659399
K        2.24126004       3.33878002       6.92234000       0.15624522      -1.12530166       0.49041669
K        7.25477004      10.02700005       5.11436998       0.15622187      -0.00913973       0.38265017
K       11.69189993      10.57790004       9.97946002       0.21173695       0.10082876       0.05702620
K       10.72400003       5.74642003       2.59868003       0.23038039       0.29936652      -0.32692067
Li      11.39229999       2.69887000       3.46452999      -0.16612217       0.80375478       2.20431996
Li       6.06759995      10.89670005       1.54230999      -0.70021047       0.19857152      -0.43445243
Li       6.57903996       2.12133995       9.57654005       0.63937752      -1.10977662       1.02762816
Li      10.73899998      11.93689999       6.58687998      -0.02457961       0.57548021       0.05307996
Li       6.59711999       7.45863997       1.54999997      -0.02958421      -0.27212211      -0.48662098
Li       0.91563904       9.86262998       1.93662995       0.26598253       0.62321477      -0.15594099
Li      11.22860004      11.99880001       3.19319998      -1.11167861       0.49256335      -0.34671474
Li       2.83035004      11.67979997       9.32196002       0.08572254       0.65871756      -1.03717743
Li       2.48608998       5.96517002       2.78086006      -1.27694792      -0.02143249       0.76628964
Li      11.53670005       7.47994003      12.52200000       0.42671177       0.77750543       0.34634878
60
Lattice="12.62016507 0.0 0.0 0.0 12.62016507 0.0 0.0 0.0 12.62016507" Properties=species:S:1:pos:R:3:forces:R:3 energy=-529.8878106 stress="-0.017978932301244574 0.00632074313064399 0.0029759465767383642 0.00632074313064399 -0.018936693156120732 -0.007571631412236371 0.0029759465767383642 -0.007571631412236371 -0.018820026137283154" free_energy=-529.8878106 pbc="T T T" config_type=melt 
Cl       7.42588004       4.78308004       5.83897001       2.27982721       1.71082715       0.72026896
Cl       4.17184002       4.88961001       8.08353994      -0.03388369      -0.05132156      -0.04630623
Cl       9.81636003       5.05253003      12.13130001      -0.50649748      -2.22073713      -0.55850160
Cl       2.58428004       2.67541000       2.93931999      -0.00172847       0.09289638      -0.01734142
Cl      12.56740003       9.20013996       5.66782997      -5.96408163       0.08460247       5.18462718
Cl       2.61219004       9.84880004       6.77439002       2.47145670      -2.98630816      -1.55613766
Cl       3.22664998       7.54589996       4.11846000      -0.90173766      -0.56310947      -0.54408272
Cl       7.14612001      12.02159998      12.17750003      -0.01425350      -1.20987003      -0.64358750
Cl       8.61726994       5.99592006       8.84313001      -0.79743162       1.15170616       0.73580664
Cl       9.97171994       7.78402001       0.69188894       1.35261356       0.32706113       0.26042675
Cl       3.99368998       2.95890005      11.06829997       0.24044900       0.60830405       0.37429383
Cl      11.66760006       1.82660004      11.55459998       0.56161687       1.04379703       1.27622834
Cl       5.61580006       8.94831997       5.63628006       3.06378462      -0.26094183       2.10621418
Cl      10.08749999       1.21322001       6.89829997      -0.07872188       0.36000281      -0.05876874
Cl       4.14659994       9.79165000      10.41350005       0.59073912      -0.05579892      -2.73922946
Cl       5.39623998       0.80892595       6.66566995      -0.09946751      -0.50779927       0.72066265
Cl       4.32762005      12.07850001       3.04839002      -0.00196505      -0.74606072       0.58394260
Cl      12.37279999       3.87710994       7.28860003       2.62244340       0.65222631      -2.08133988
Cl       8.16968998      11.08380006       8.87243996       1.19810043      -0.09244036       0.27500922
Cl      11.08349995       8.51756004      10.31649995      -0.88595958       0.04356822      -2.78153538
Cl       5.66761000       6.83180003       0.23321598      -0.80223307      -0.04121875       0.19568985
Cl       7.55835000       7.02922005       3.32924006       0.37532580       0.08226626       0.11292093
Cl       9.46646003       2.17685997       2.28635997      -1.00346858       2.22740396       0.96796277
Cl       0.15790199       5.23765006       3.06020994      -0.65435925       0.40141417       0.13437989
Cl       1.38916997       7.46538002      12.24960005      -0.19009367      -0.19969123       0.21925566
Cl       1.41258997       0.48277596       8.11624005      -0.51505373       1.44603335       0.34406692
Cl       2.99904000      12.55239996      12.50879994      -0.73245654      -0.04366833       0.03631221
Cl       9.05470001      11.08429994       3.74606997       2.61209433      -1.60420692      -0.77533495
Cl       0.23395704       9.95197002       2.48814997       0.32563816       0.63098211      -0.41665337
Cl       6.46621000       2.18454994       1.89674001      -2.18578251       1.67052075       0.94012367
K       11.10909995       0.31237799       9.65370996      -0.59657668      -1.65637369      -1.69487710
K        1.41917000       3.38306998       9.34812995       1.07240209      -0.54592753       0.81733288
K        1.61857996       5.32593001       5.43329000       0.80346446       0.07734580       0.19847293
K       10.94280000       0.36835902       1.68921995       2.05591194      -2.65436393      -0.96786816
K        4.72295997       0.30772203      10.38140003       0.26535222      -0.22826813      -0.36548010
K        9.90887998      11.06840005       6.47442005       0.19734962      -0.56489211       0.27434074
K       10.89340000       3.13845004       4.82681005      -0.27332572       0.13275654      -0.59041528
K        8.24947000       9.37949005       1.84608002      -1.67538145       0.48399925      -0.13765722
K        5.66260004       3.16847998       5.34927996      -2.26341816      -1.18022246      -1.14548206
K        6.84910998       8.41105001      11.00890001       0.52147719       0.60050648      -0.89251424
K       10.43669996       7.04363001       6.59468000      -0.32414899       0.15715790       0.00271818
K       10.20249998       3.97955994       8.29756002      -2.80045046      -1.20245405       1.59751580
K        7.64707999       5.05699997       1.20081994      -0.21604638      -0.58188559       0.65850545
K        7.48935001       0.12908700       4.50639996      -2.64402105       2.43848673       0.79114566
K        2.40474002       7.65064998       9.54159998       0.17010141      -0.07843446      -0.44317786
K        3.02640998       5.14322005       1.37803002       0.20794334       0.56313112      -0.02212484
K        1.85649998       0.39543003       4.75917997       0.67978271      -0.14538659      -0.18344498
K        5.63780003      10.85340001       8.15453001      -0.91694242      -0.34337404      -1.08561053
K        3.76062998       9.80133005       0.20553302      -0.56506730      -0.12383975       3.35980235
K       12.06919996       4.12862996       0.50945903       0.77345769      -0.14512629       0.55564238
Li       6.27038000       6.89770998       5.11204004       0.12890173      -0.24291050       0.07167726
Li       6.20722996       3.88738995       9.23365004      -0.80242164       0.57585687      -0.25905109
Li      11.95239995       8.59735002      12.01700006       1.23283165      -0.16714067       2.29666661
Li      11.48569994       8.36519994       2.50720996      -0.42257156      -0.74179548      -0.19850450
Li       4.14095002       9.45881006       4.58768001      -1.94434197       1.34758517      -1.42836236
Li       1.85130994      11.26899997       7.55790994      -1.37387121       1.83338471       1.66623218
Li       9.88540003       6.77867999      11.23509993       0.05783946       1.52129892      -1.22799807
Li       1.07115001       9.02548003       4.39991000       4.96068125      -0.80208311      -5.06580578
Li       3.90420998       1.73254005       0.74435097       0.22512953      -0.03215927       0.55351568
Li       7.45988003       0.87049305       0.88543002       1.14104492      -0.24531142      -0.10456723
60
Lattice="12.62016507 0.0 0.0 0.0 12.62016507 0.0 0.0 0.0 12.62016507" Properties=species:S:1:pos:R:3:forces:R:3 energy=-533.50221704 stress="-0.008521597177708612 0.001443872585561074 -0.00413312744302404 0.001443872585561074 -0.017116565024090008 0.006628177107401217 -0.00413312744302404 0.006628177107401217 -0.011181673036181656" free_energy=-533.50221704 pbc="T T T" config_type=melt 
Cl       1.80935004      10.14880004       2.59700003      -0.24735105       1.10573763      -0.84863940
Cl      10.20500004       1.75497000       9.04383001      -5.83318065      -1.83879505      -0.29593465
Cl       6.70523997       6.16164996       0.76455598       0.34756171       0.04131037       0.33593310
Cl       6.13810994       0.14383896       9.51182005       0.21449629       0.47240332      -0.20662082
Cl      11.35640004       4.96315996       1.96101994       0.21569746       1.25371652       0.49821127
Cl       9.45947994       9.59713994       4.34292995       0.30838148      -0.04285575       0.33453443
Cl       5.09400999       3.08622994       4.92326004      -1.82184461       0.44600146      -1.63445863
Cl       8.99190005       5.64360001       8.71798996       0.46267235       0.03712238      -0.12329352
Cl      12.27650005       4.34602000      10.37460004       0.18259895      -0.04780167       0.67639254
Cl       7.78339998       2.17619994      12.54319998      -0.34787130      -1.00990777       0.53005486
Cl       6.66723005       5.26573005       5.83944995       1.48219828       0.85827511       0.88426652
Cl       3.04982998       5.60791005       6.08915001      -0.81884331       0.33282378      -0.34547923
Cl       2.29382000      12.13319997       6.29064003      -0.01411778      -0.11835189       0.42384964
Cl       0.53970502       8.81173003      11.77640002      -0.40012788       2.70176357      -2.01153309
Cl       3.96363998       5.60917005       2.73962998      -1.25317329      -0.64557728      -0.34523459
Cl       1.97284995      12.40949994      11.24350004      -0.06678498       0.47954491      -0.72070021
Cl       5.02376994       8.50850999       4.18916006       0.41299092       1.77207563       1.81034041
Cl      10.87829998      11.94319998      10.70290000      -1.33222327      -1.91501612       1.28810888
Cl       4.64869005      10.71389999       0.08091091       0.37177630      -0.23977681      -0.12103754
Cl       4.02524001       6.86602996      10.83560003      -0.82040693       0.90606560      -0.63524684
Cl       7.37449994       9.80772002       8.77291002       0.45986924      -0.21794755      -0.31651468
Cl      12.44480005       3.75982999       7.06846006      -0.11805053      -0.37323787       2.23838901
Cl      12.00879998       0.60426398       3.07022997      -0.30321679       0.75929534       0.42346161
Cl       9.07774001       0.81581694       5.52331002      -0.17120411      -1.90405276       1.75323491
Cl       8.70505000       2.79453994       3.18883996      -1.50265173       1.45190931      -1.26561410
Cl       5.20242996       3.78030003      10.59999997       0.45394181      -1.27052849      -1.51632899
Cl       2.71243996       2.30259001       1.96785994       0.07779288       0.15488320      -0.58173685
Cl       8.60860998      10.76760005       0.69507894      -0.40010943      -0.08568516      -0.27692261
Cl       4.80900994       0.07453495       4.24928000       1.42727522      -0.64889185       0.00819679
Cl       0.42412097       8.70777003       6.81826995      -0.45219811       0.37591127      -0.56311215
K        4.44628002       1.14112997      12.22749999       0.27137094      -0.08385228       0.04445672
K       11.24200001       2.62479998       0.60457797      -0.07773647      -0.77044497      -0.44795132
K        4.00434001       4.74725001       0.04696923      -0.68576320       0.11333651       1.08921042
K        3.10988001       2.20123998       8.52156997      -0.07295990      -0.12474901      -0.14870791
K        6.83126999       2.10403998       6.42507003       0.97922927      -0.12660774       1.29759376
K       11.46020001      11.04780003       1.35506006       0.08219079      -0.29302675      -0.59717312
K       10.65160004       9.71355996       8.39237999      -0.25824202       0.03029098       0.54379422
K        7.14737004      11.48390005       3.19412996       0.49631857      -0.25051554      -0.02398257
K        6.35163001       8.41390999      11.40660003       0.55710812       0.31870818       0.26728495
K        2.10533001       8.23006006       4.32012998       0.19211921      -1.76256185       1.33266888
K        8.37589995       4.39553004      11.01739994      -0.20576529       0.09281434       0.41821596
K        8.43471004       7.30987006       6.65805999      -0.16694484       0.75044063      -0.49931595
K        0.90011800       6.93299003       0.60089995       0.46025918      -2.78849374       1.85281474
K       12.43730001      10.98489999       5.20448995      -0.38941699       0.57207751      -0.55058219
K       12.34810006       0.81451000       9.32386995       4.66612176      -0.31575730      -0.51222492
K        1.21816005       7.36941995       8.96954002       0.25860365      -1.09349008       1.04677705
K        0.03458115       3.79222002       4.61211997       0.64497771       0.03742459      -2.56801652
K        9.23245995       7.36592997       2.50220997      -0.22038020      -0.37097432      -0.33194275
K        4.17944001      10.37129999       9.34484000       0.06561443       0.29967197       0.08759770
K        4.65925994       5.46765004       8.25405995       0.89944560       0.20215633       0.32229234
Li       3.43544998      11.20170004       4.37506001      -0.89682938      -0.65024778       0.02413324
Li       7.99806003      12.47089994      11.67370002       0.25767433       0.06911927       0.09315537
Li       3.91569004       1.81590003       3.69632002      -0.83510752       0.63775450      -0.28641353
Li       5.01884997       5.38394995       4.59506003      -0.87884197      -0.09496236       0.49591288
Li      10.90610006       3.40988001       8.76271999       1.53218605       4.31516201      -0.85468070
Li       8.24930000      12.53240003       8.12930003      -0.01150773      -0.03215694       0.36711587
Li       4.87877005       7.40461002       2.62363994       0.76890656      -0.24592262      -2.14613515
Li      10.11070002       1.83412998       4.12577995       1.86472611      -0.81573532      -0.13528691
Li       2.42809995      10.83859997       0.05155615      -0.22566979      -0.49742970       0.41329217
Li       6.67752003       3.32807004       2.32549005       0.41441585       0.08755813       0.00953120
60
Lattice="12.62016507 0.0 0.0 0.0 12.62016507 0.0 0.0 0.0 12.62016507" Properties=species:S:1:pos:R:3:forces:R:3 energy=-532.50977397 stress="-0.019356577406874617 0.0008184835323244283 -0.00434947359706224 0.0008184835323244283 -0.014810283705270755 0.00433847444143157 -0.00434947359706224 0.00433847444143157 -0.009426823918113685" free_energy=-532.50977397 pbc="T T T" config_type=melt 
Cl       0.22380197       5.71496994       2.40445998       0.37042832       0.86739282      -0.90905110
Cl       0.67130797       6.34241994       5.71398999      -0.59173775      -0.93327601       0.63118947
Cl       2.40654003      10.64469996       3.41900994       1.02219188       0.11890711      -0.79702334
Cl       6.53933995       8.67034998       1.81809001       4.35992223       1.32787020       0.46714616
Cl       4.54862994       6.46386000       8.58836005       0.43093118      -0.09987412       0.99606932
Cl       0.87150897       9.18738994       8.26701001       0.18791766      -2.31505256       0.96615265
Cl       2.71210995      11.13179997       6.78405997      -0.48186687       1.12313363      -0.02931133
Cl      10.27060003      11.39060006       6.06678001      -0.69207196      -0.67196359      -0.28528987
Cl       2.16342997       1.19660001       9.78849004      -0.49798008       0.80188404      -0.59297215
Cl       6.30875994      10.68590001       7.62777000       0.60849924      -1.21801270       0.41876314
Cl       3.94575998       2.33575996       2.97730000       1.16309520      -1.13273937       0.00140743
Cl       1.66427998       6.31482002      10.80920003      -2.47867280      -2.43421576      -0.35783817
Cl       3.82055002       7.66567996       5.89785002       0.51746239       0.40985222      -0.97647201
Cl      11.69560004       8.21630004      12.00090001      -2.56573253       1.82393215      -0.73560847
Cl      12.59190701       3.34131995       8.38869995      -2.72640494      -1.11939520       0.79051955
Cl       6.96582000       0.24746301       3.26480995      -0.40369024      -0.66136982      -0.38840618
Cl       4.10196999       3.12062002       6.68244000      -0.46905709      -0.78445992       0.02871727
Cl       0.71092595       2.41514005       5.18267006       0.01432309      -0.75614500       0.11332317
Cl       3.21565996       4.67732003       0.50479297      -0.53072671      -0.09313421       0.32170057
Cl       2.62532006       8.85765998      11.45319999       0.40402382       2.10775067       1.56800987
Cl       5.64427998       0.13125300      11.56310004       1.24832484       0.55943197       0.85092685
Cl      10.13899998       6.34345997       9.64131998       0.41743668       1.52750709      -0.66722337
Cl       2.30195004      12.33060005       0.26474002      -0.16137092      -0.02409691       0.26042375
Cl       6.24245006       4.22330000      12.42509997       0.78346274      -0.34507743       0.03168445
Cl       9.95407001       0.93433796      11.79490004      -0.01935450       0.06526012      -0.10642447
Cl       7.95621005       7.52326998       6.10521006      -0.56498062      -0.72061730      -1.04113295
Cl      10.38679995       3.98416996       4.94168006      -1.57910048      -0.59897479       0.25240901
Cl       7.17000998       1.99429994       6.46985004       0.81553892       0.20887036       0.17963777
Cl       9.85635006       4.43979994       1.25766003       1.44008635      -1.22659707      -0.46272175
Cl       9.85074998      10.19540000       2.95354001       1.18579611      -0.17422000      -0.67929106
K        6.08239999       4.95231002       6.45840999       0.56926340       0.26247979      -0.23944732
K        2.48519004       4.35559000       3.86546999      -0.44107771       1.12028178       0.59195172
K        8.72894995       6.67758994       1.56506996      -0.76561129       1.61613263       0.19806601
K        5.01170001      12.61661174       6.22477994      -0.03802281       1.18397169      -0.73920275
K        3.55249999      11.54380003      10.46179995      -0.35653155      -1.03036456      -0.85664804
K        0.34676705      10.04140004       1.37529006       0.02925169       0.57940567      -0.31800422
K        4.34858000       8.08897999       1.38517998      -4.79462729      -1.45574510      -0.92732859
K        7.96974997       1.58699005       9.21758002      -0.22461409      -0.45835173       0.25970755
K        8.18811997       2.30615003       1.46529001      -0.74553005      -0.65271673      -0.33247297
K        0.87460394       2.91426000      12.30859995       0.19691309      -0.12732770      -0.23106978
K       11.78000004      10.99610001       8.07400995      -0.28090720       1.47575239       1.21588039
K        9.76424998       0.86182300       4.56385995      -0.43451519       0.92128249      -0.31914522
K        1.76512002       0.70034798       2.75120002      -0.81881934       0.28452817       0.98727751
K        8.89412999      10.47559997       0.31533805      -0.31119092       0.46692401      -0.23680850
K       10.51240000       4.06964003      10.59159999       0.34860389      -2.03013464       0.97376399
K        1.99987995       4.55545997       7.66416996       1.68360226       1.89361146      -0.44717913
K        0.81583095       8.78974999       4.51776000      -0.55300862      -0.27258205       0.73824801
K        7.54027995       9.68451995       4.35055998      -0.17635927       0.90064755       0.28746661
K        8.40987002       8.08880999       8.58907006      -0.47712661       1.05990088       0.93830110
K        4.08421001       3.69381000      10.27439996       0.12519559      -0.01386672      -0.05371821
Li       0.47463002       7.24711995       0.21418200       2.38297622      -2.31902762       0.78215705
Li      11.59619996       4.63018005       6.49340999       1.04583170       0.27830415       0.50930814
Li      12.32130000       7.69690995       9.80928996       0.48662083      -0.35865358      -0.09234172
Li       1.19643998       1.16126001       7.38568002       0.45273902       0.56628435      -0.00482017
Li      11.13129996       4.65185998       3.18308996       0.33487230       0.24541537      -0.83131013
Li       2.78377002       9.08531993       7.29336995       0.40807402      -0.54302273      -0.06344942
Li       4.76824996      11.94849995       1.80431005       0.10110894       0.52515337      -0.16948726
Li       4.61672999       2.98447999       1.07812000       0.30846634       0.53009411      -0.66755418
Li       3.33341998       7.30549995      10.32450000       1.29128164      -0.11202099      -0.94990470
Li       5.90655995       8.59085000       6.69137003      -0.55355214      -0.16892628       0.14845000
60
Lattice="12.62016507 0.0 0.0 0.0 12.62016507 0.0 0.0 0.0 12.62016507" Properties=species:S:1:pos:R:3:forces:R:3 energy=-533.70646275 stress="-0.008836737676855258 -0.0022731166668637985 -0.000551664915419043 -0.0022731166668637985 -0.01712758616231582 0.0003218543095095949 -0.000551664915419043 0.0003218543095095949 -0.01755909961159758" free_energy=-533.70646275 pbc="T T T" config_type=melt 
Cl       5.14093000       7.96597995       7.43346994      -0.03120821      -0.46864230       0.18909375
Cl      10.01660003       4.15238994       0.60290996      -0.32865352       0.05744292       0.05319816
Cl       0.59009797      10.42309996      11.24839995      -0.36138548      -1.42014729       0.31705592
Cl       7.58614996       1.48301995       7.48522006      -0.04707732      -0.70393001       0.02708561
Cl       0.74026001       4.52628000       1.92948000       1.79757448       1.21364479       0.57533816
Cl       4.56716000       8.60940998       4.09358994       1.02864361      -1.93310018       1.04388081
Cl      12.58029999      10.74150004       7.11157004       1.09877367      -0.02620651       0.06957691
Cl       3.35407995       0.51523490      11.14749996      -0.24832046      -0.64228071      -0.54610209
Cl       4.59439002       0.25004598       4.51537000       0.92961735       0.69137322      -0.12580608
Cl       5.79683001      10.91279997      12.10173904       0.81321862      -0.37620405       0.19041042
Cl       4.05114997      11.98919998       7.36563996      -0.07412262       0.92462716       2.37921386
Cl       5.09237000       3.38361000       0.65273197      -0.07778970      -0.03702450      -1.12906608
Cl       1.97716996      12.11170001       3.11080999       0.24298693       0.82529553       1.90862088
Cl       6.94455995       6.98743002      12.31860004      -0.04530541      -0.69795993      -0.36888128
Cl      12.50100004       1.77468005      12.21289998      -0.65515718      -0.53139187       0.11451408
Cl      11.39330001       7.31446998       3.51995006      -0.02609353       1.40768885      -0.54709943
Cl       6.59018003       3.36760006       9.99046998      -1.06816841      -2.85485415       2.05586774
Cl       5.72896003       3.67373005       6.01885001      -1.04321968       0.72630911       0.23133111
Cl       0.69977402       4.31837995       5.68568005       0.22573556       0.70469536       0.11759774
Cl       2.79495994       5.39154994      11.15910004       0.04798318      -0.30413940      -0.75494358
Cl      10.30690004      10.82490002       0.46503201      -0.11267383       0.04332889       0.17180556
Cl      10.85059998       6.54285000      10.35480001      -0.56936600       1.04881072      -0.07920819
Cl       9.35923999       5.00599999       6.03517003       0.03219361      -0.22630204      -0.01225927
Cl       6.87269997       5.38289996       2.86079000      -0.03095099      -0.19601750      -0.08976479
Cl      10.99519994       1.85449994       5.19066001      -0.07684421      -2.28709099      -3.65790034
Cl       1.43798994       7.59623006       7.09932999       0.43857161      -0.30778108       0.14560334
Cl       8.77438999      11.12570001       5.09527996      -1.13128944      -0.47852569       0.56726818
Cl       3.15295995       8.90000997       0.94224702      -0.97179181      -0.16910570      -0.49898260
Cl       8.32725994       8.80045000       7.31325996       1.90557167      -0.54720310       1.38729209
Cl      10.80539997       1.95890000       8.35075995       0.63403787      -0.01012025       1.97220525
K        2.38309997       2.36098995       0.39112794       0.29065122       0.53090342       0.65238663
K        4.48709994      10.66490005       2.68691997       0.60181940       2.06402456      -1.41997674
K       11.87499998       8.43417999       0.35382198      -0.50320018      -0.71538830       0.61756133
K       10.48549999      11.96019997       3.31886994       0.66783898       0.36647312      -0.69667440
K        3.06648002      10.04579994       6.01666004      -1.18585906      -0.84575182      -0.29688101
K        2.56331997       6.67529005       3.98029002      -1.02393181      -0.39313749       0.33163928
K        1.11430000       1.54510006       5.34939001       0.78972504      -0.73419361      -0.04424854
K       11.25680006       8.11185000       6.84876999      -0.26846923      -0.18527631      -0.27100930
K        0.76948201      11.38850006       1.09885998      -1.28251052      -0.04457395      -1.26415688
K        7.45694004       7.31866000       4.79841001       0.27012159      -0.34143840      -0.20168920
K        6.63554006       0.67806797      10.92440005       0.11589525       0.03096576      -0.04267718
K        7.90664006       9.17092996      10.26189994      -0.13909079      -0.20034315       0.48464888
K       11.56050004       3.91269994      10.41200002       0.08512334      -0.63250535       0.26014105
K        3.83754005       2.72561996       9.31603006      -0.20053313      -0.44981992      -0.00641290
K        0.67420405       7.90398995      10.29529997       0.96310275      -0.98231605      -1.08588018
K        4.10613994       6.15978003       1.06161005       0.40641733       0.14454110      -0.00077705
K        5.54409998       2.68967003       3.14445005       0.26021999      -0.40170473       1.17581290
K       10.28639997      11.95670002       7.65195995      -1.32153661       0.17319610      -0.25925703
K        7.22078999       5.16064005       8.63143999       1.60399778       3.52596915      -2.93814845
K        3.32170998       5.32425998       7.58986003      -0.20972550       0.68716785      -0.27272667
Li      11.38559995       5.49876001       4.37695998       0.21323170      -1.58436266       0.81864073
Li      11.82879995       3.33426995       1.60325000      -1.22312231      -1.12833337      -0.78960737
Li       6.68121004       9.17480006       6.31483996      -1.78726701       1.15167260      -0.36629434
Li       5.94272997       4.53450002      11.61040004       0.03798075       0.85388282       0.76781322
Li       8.49433994       5.62929997       1.28197000      -0.35401846       0.13827203      -0.25492430
Li       3.86969004      10.14620004      11.84620000      -0.46671019       0.00482772      -0.13293018
Li       5.69135004       0.39753495       6.59173004       0.62209633       0.43859315      -0.62724871
Li       1.12638999      11.84750001      10.09689999       0.91202961       2.15703204      -1.54748378
Li      10.57500005       2.92890999       6.62548999      -0.75763640       2.82705840       1.49560535
Li       7.74671998       2.94453994       5.78223000       0.58786977       0.11937604       0.20780898
60
Lattice="12.62016507 0.0 0.0 0.0 12.62016507 0.0 0.0 0.0 12.62016507" Properties=species:S:1:pos:R:3:forces:R:3 energy=-533.35810242 stress="-0.012909148087351746 0.0022560847993120334 0.004824559570804593 0.0022560847993120334 -0.016512420619887756 0.0038688036259728704 0.004824559570804593 0.0038688036259728704 -0.016408605636045993" free_energy=-533.35810242 pbc="T T T" config_type=melt 
Cl       4.74491995      12.17830003       9.37146994      -0.22579168       0.36792381       0.62992487
Cl       2.82290995       3.44073000       1.67199999      -0.49228319       0.36309790      -0.40625395
Cl       2.66172999      11.66909997       0.52100496       0.67472739       0.45747354      -0.32058246
Cl      11.72410003      11.67190000       9.46756000      -0.68429855       0.30456047      -0.53596926
Cl       2.94074998       4.48943000       6.46582004       0.54759855      -1.75794577       1.61275825
Cl       0.20553201      10.54089999       2.85756997       0.98202742      -0.18954557      -0.30514740
Cl       8.99724999       0.37243495      11.07580001      -1.46700370      -0.19716537       0.13957757
Cl       1.11019996      10.98959999       6.46448003       8.00178188       2.19543093      -4.98794852
Cl       3.52847006       5.59035995      10.55269997      -2.06053322      -0.00506015       2.37209054
Cl       7.08051004       8.19804005       7.30758000       0.81455199      -0.28600033       0.24192289
Cl       8.54968997       2.21142004       7.41637996      -1.16913573      -2.19012954       0.79674546
Cl      10.56189994      10.01560001       6.80901003      -1.20948209      -0.78719042      -0.62125878
Cl       6.87071999       6.53961002       2.09310006      -0.19286031      -1.18117788      -0.18375346
Cl       1.68841996       2.01810006       9.84189997      -0.43048339       0.37311566       0.64378579
Cl      10.40680001       1.49791995       4.12881005      -0.18527599       1.61407786       1.21054844
Cl       4.30061997       9.08113004       5.54761999      -0.40607732      -0.38131086      -0.63420034
Cl       1.82305995       7.09446996       2.00075995      -0.15626404       0.77294880       0.30213489
Cl       5.74425996       9.75333998      11.40229996      -0.75083993       1.07587417      -0.09869354
Cl      12.10280001       4.73546000      12.26400003       0.53091725       0.85683819       0.60748359
Cl       0.52666296       8.99456997      10.31589999       0.72970165      -0.37699106      -0.65464593
Cl       7.72758995       5.52432001      10.65799998       0.29848619      -0.35585377       0.13282913
Cl      10.44460005       2.90113995      10.45380003       0.02582481      -0.13689117      -1.45348820
Cl       4.94061996       0.49739503       5.42241003       0.54529566      -0.47971228      -0.36386922
Cl      12.30270002       6.48203998       5.70122002      -0.99466913      -0.99340320       0.35702126
Cl       6.27546000       0.80939605       0.61574997      -0.13878614       0.63195692       0.18571197
Cl       7.72073001       9.21036003       3.75603006       1.01618803       0.37577831       0.60276180
Cl      10.02269998       9.15243006      12.51079998       0.04615969      -0.11511716       0.14589518
Cl      10.20840003       0.25353495       1.45501997       2.05821222      -3.19305294       0.15944134
Cl       9.70145999       3.62154996       1.38220995      -0.81199583       0.24028585       0.34938699
Cl       7.16000005       5.05539001       5.59298999      -0.26893475       0.70962810      -0.13924501
K        6.79143002       2.45719006      10.99509998       0.01848255       0.51686503      -0.57780695
K       11.11210002       7.76975998       8.84741998      -0.09201836      -0.16957425       0.03765862
K        3.24597006       1.41375998       7.57399005      -0.28105018       0.34576358      -0.38107249
K        0.83196596       8.75185996       4.98282003       0.44748883       0.06121954      -0.39837452
K        7.72452994       2.87388999       3.98025001       0.44607458      -0.39048593      -0.16502886
K        0.78085404       9.48202006       0.34287802      -0.37026703      -0.46846867       0.20151329
K        5.22045004       5.62749996       8.75918004       1.77619250      -0.17612836      -2.09255645
K        4.33162998       2.67897002       3.83634000      -0.11952601       0.43966785       0.18069556
K        2.04271001      11.79280005      10.17219997      -0.32460390      -0.60943245      -0.04670407
K        9.97527997       6.62523999       2.20765002       0.16249511       0.08835473      -0.10837302
K        9.78299005       4.31492000       6.72630000       1.24969821       1.33657882      -0.32522210
K       12.51559994       2.39436006       2.15272996       0.01073284       0.19565577       0.07928696
K       10.68400004      11.48260005       3.97442997      -0.94073845      -0.59302051       0.84736016
K        3.25174000      10.25420000       3.00723995      -0.07173383      -0.00157381       0.29283239
K        6.68880006      11.98670005       7.55150003       1.01074397      -0.08945864      -0.81948040
K        4.77043994       8.99484004       8.37882000      -1.06046369       0.46765795       0.78848228
K        2.85358995       6.01416995       4.49340006      -0.06574736       1.24641891      -1.39276018
K        7.32364005       7.95004005      12.43100003       0.66858011      -0.76252274      -0.26121699
K       11.89600006       0.73765105      11.59639999       0.53189724       0.40354469       0.60918312
K        7.00913998      11.55890005       2.39798003       0.38765322      -0.42476007       0.51761147
Li       8.81509999       8.50716998       6.12390002       0.27669223       0.55429582      -0.44089003
Li       1.01768002       3.86304994      11.05950005       0.59649965      -0.13736895      -0.61386160
Li       9.70812003       4.32061006      11.80839996      -0.04321284       0.71923237       0.12180967
Li       9.46072000      10.99299999      11.42410003       0.38663527      -0.79428287       0.09214864
Li       9.02097994       1.56270999       0.94200900      -2.13828750       2.14064884      -1.29868981
Li       9.72132994       0.95169195       9.12547995       0.57173807       0.56303827      -0.57492017
Li       6.73515998       7.31924003       4.00603995      -0.44286910      -0.30295756       1.12941492
Li       2.44818002       6.03708994       0.26710895       0.32176688      -0.77270469      -0.68596960
Li       4.96453000      11.85149997      12.23860006      -0.40734541      -0.31698769      -0.55851548
Li      12.43800005      10.77920000       7.42825995      -7.13226530      -0.78165804       6.05848176
60
Lattice="12.62016507 0.0 0.0 0.0 12.62016507 0.0 0.0 0.0 12.62016507" Properties=species:S:1:pos:R:3:forces:R:3 energy=-533.68748998 stress="-0.012481857312344575 -0.0002977760715056366 0.007638930259691879 -0.0002977760715056366 -0.0053492926489718505 -0.0024042134680985604 0.007638930259691879 -0.0024042134680985604 -0.016999391019949153" free_energy=-533.68748998 pbc="T T T" config_type=melt 
Cl       0.86044601       1.13768996       8.21958002       0.75945553      -0.19339612      -0.88065048
Cl       6.07366002       6.19281003       0.86961898      -1.05711464       0.61702641       0.27640943
Cl       4.56301995      10.35450003       2.89395996      -0.99733851       0.11821317       2.45008058
Cl       3.72196003       5.12704996       9.86807002      -6.01146718       1.31984318       5.88315322
Cl       6.46298997      11.52160002       8.57494998       0.99670360      -0.37367590      -0.30353538
Cl       3.14303003       2.03007004       5.23670001       0.27114896      -0.28996894      -1.05401116
Cl      11.45239999      11.07550003       5.07999000      -0.80916142       0.28356334      -0.13825506
Cl       7.66511004       8.26516999       7.17823997       0.02866354      -0.34060552       0.80287452
Cl      11.01830001       4.96221004      11.10660003       0.08744439      -0.26228902       0.19006508
Cl       7.19665001       1.22916003       4.12581995       0.08518298       0.07381157       3.10484655
Cl       4.19916999       2.74536004       8.32286004      -0.05072044      -0.56857138       0.28551113
Cl       4.42938995       0.77943200       0.75961304       0.59468207       0.77045240       0.64409179
Cl       2.30095002       7.91074994       7.90091997      -0.22133692      -0.56902108      -0.11795399
Cl       3.58629995      11.48970003       7.08602998       0.02290675      -0.89691709      -0.55901316
Cl       1.99922004       7.80278001      12.15760005       0.12375844      -1.23182675      -0.37692714
Cl      12.45530003       7.80539996       4.44188997       0.59512657       0.10178031      -0.32781230
Cl      12.46210003       9.92995994       9.82094002      -0.67161008      -0.14516892       2.36263186
Cl       9.32638995       4.91379000       2.72351996       0.28069043       0.07992539      -0.51544131
Cl       9.80639995       4.34810006       6.97652001       0.20313770      -0.44423161       0.19616967
Cl       8.33781002       9.17175002       3.10639003       0.23423003       0.22645517       0.25490505
Cl       6.93455001       5.88153000       9.03003995       0.08270939      -0.21690228       0.23414024
Cl      12.56610003       0.95110397       0.26378795       0.66705379      -1.32620897      -0.86320707
Cl       3.01851998      10.52809999       0.55414400      -0.31466561       0.45024439      -0.60134999
Cl       5.38301997       5.88807002       5.07591999      -0.69189767       0.41714377       0.56582258
Cl      12.52279999       2.78151997       3.72927998      -2.55448160      -0.04434835       1.32953480
Cl       7.47075003      10.85689996       0.31828397      -0.31558652       0.37083497      -0.67240974
Cl      12.15829997       9.42213006       1.08681997      -0.33330320       0.34676322       0.46740473
Cl       8.16154001       2.20836003       0.65648105      -0.25016557      -0.40174854      -0.17843396
Cl       9.18821000       8.24170998      10.95039999       0.71876176       1.93705595      -4.14155982
Cl       2.36134003       4.22279002       2.12488004      -0.05104174       0.98396447      -0.34072562
K        8.27188997       5.93084001       5.13266997       0.01070946       0.70539532       0.08579447
K        9.99491000       6.86001001       8.50170999       0.13558290      -0.36326805       0.30107260
K        8.22697998      10.39260005       5.86378996       0.46354574       1.55759428      -1.38366961
K        4.91101003       8.35610004      11.14069996      -0.03689265      -0.09244734       0.28668151
K       10.23170001      10.92719996      12.17700002       0.43035889       0.20355627      -0.32997831
K        4.61608005       8.35074998       6.51224004       0.71057912       0.60756312      -0.09107235
K        8.53285997       7.57645994       0.47748596      -0.64881709      -0.93716508       4.28249495
K        5.10555997       4.36104002       2.87417003       0.60592649      -0.95463544      -0.50296885
K        1.09456004      10.92059999       3.44732000       0.87690025       0.05118108      -0.41971771
K        7.52537995       4.78125996      11.68540004       0.74465449      -0.64493384      -0.45503276
K        0.09103720       6.59749998       1.64257998      -0.41770542      -0.33424260      -0.10604011
K        6.40535999       0.70427399      10.66799994      -0.26553117       0.30769346       1.11979854
K        2.64707003       2.94091000      12.19340005      -0.00370032      -0.22094382      -0.59243227
K        3.15715994       7.41901997       3.07580001       0.22458972       0.17541265      -0.31367214
K        1.74614005       4.30773004       6.60209006      -0.09620655      -0.13502814       0.24656977
K       11.50599998       3.09719005       1.20038000      -1.41704718       1.51752754      -0.17195055
K        9.71472000       2.65413000       4.60573000       0.38627927      -0.06748702      -0.06398674
K        6.10907006       1.62733003       6.82645994       0.38126083      -0.40891514      -0.51805445
K       11.74090000       1.98887996       9.94286999      -0.89299996       0.61571256       0.93930735
K        0.49700696      10.09329996       7.40461999       0.66515470       0.63306333      -1.97420132
Li      11.10749997       9.97284995       2.99425999      -0.81099298      -0.66006935       0.71453813
Li       1.75327006       2.65421999       3.44168005       2.48867529      -0.50716230       0.15036993
Li       8.13303004      10.01270002       9.00564000      -0.30424334      -0.82704201       0.26526141
Li       4.05841994       0.19670900       2.93852000       0.08055490      -0.37086792      -0.07512207
Li       1.26280994       9.91849995      12.18770003      -0.52451858       0.07291187      -0.53133768
Li       3.04198996       0.83440304       7.58734004      -0.58519497       0.63438530       0.01886602
Li       6.90698000       0.98184897       2.31136998      -0.16426204      -0.10319358      -4.19203216
Li       6.38025002      10.50900000       2.14885002       1.72277341      -0.50577848      -0.36418684
Li       4.95046003       5.11779004       8.71109002       5.05319594      -0.49941224      -4.86536995
Li       1.81226996       7.41354005       9.92302996      -0.23439400      -0.24160168       0.56371614
60
Lattice="12.62016507 0.0 0.0 0.0 12.62016507 0.0 0.0 0.0 12.62016507" Properties=species:S:1:pos:R:3:forces:R:3 energy=-532.36631929 stress="-0.016073677318510025 0.005377466771234015 0.00153309585105138 0.005377466771234015 -0.011181063065977801 -0.0012664901881958607 0.00153309585105138 -0.0012664901881958607 -0.010683366732347715" free_energy=-532.36631929 pbc="T T T" config_type=melt 
Cl       2.34410997       0.66072205       3.99137999      -2.18287145       0.81076884      -0.43186577
Cl      11.05779999      12.41389996       5.42275002      -0.02198659       0.41648373       0.12066029
Cl       2.11083001      11.40069997       1.45393994       0.22602321      -0.55778436      -0.63184767
Cl       0.64529605       9.12798997       6.55363998      -0.61062026       0.45988634      -1.21994015
Cl       6.73875004       2.68393000       9.66648005       0.08107391       1.42127643      -0.21624235
Cl       9.93822994       0.43831802       1.33409999       0.50710427      -0.24231880       0.25302616
Cl       9.64720994       8.66526998       4.58458996       1.12045113       0.07340880      -0.46757662
Cl       4.59558995      11.37600004       6.73334003       0.44723609      -0.21118010       0.38567950
Cl       7.79014003       5.71810997       5.53000994       0.34591435       1.24342192       0.05246414
Cl      12.53130005       0.02545235       8.96769003      -2.10083387      -0.07179979       2.24707773
Cl       8.40647002       6.78111000       8.69633994      -0.00414070      -0.05198619       0.16517663
Cl       5.54308998       1.21280998       0.00381028      -1.10639638       1.38803296       0.03557288
Cl       5.69930996       8.19097995       2.05949004      -4.54420409       3.18883485       1.10558998
Cl       3.16591001       4.04359996       1.29774003      -1.33171504       0.48888006       0.09090443
Cl       4.39021001       6.29011996       7.76136997      -0.09210218      -0.20429193       0.35800376
Cl       2.46316003       3.59941003       9.97703001      -0.96938280      -0.27522854       0.36744012
Cl       8.82823001       6.51832005       1.84085994       2.54606318      -0.74494677      -0.21895788
Cl       3.13355998      10.22029997      10.32630001       0.25409105      -0.05988570      -0.01858849
Cl      12.15480002       6.90810004       1.09637003      -0.10575467      -0.07269413       1.11367998
Cl       9.25035005       2.82294995       7.24118001      -0.44188014       5.15818179       1.49405898
Cl      12.44400801       4.90296997       4.31211000       0.82510005      -1.27704777       0.73247843
Cl      10.79320006       8.57881996      11.41929995       0.16658162      -0.36816716      -3.03937301
Cl       7.55277000      11.68520001      12.25380004       1.43523178      -1.05307406      -0.75271354
Cl       1.82450004       6.81972001      11.31180000      -0.51930520       0.23187310      -0.90649587
Cl      11.20880002       3.17826994      12.41519996       0.44559609       0.32192827      -0.92327830
Cl       6.68537002       0.53712596       3.59753997      -1.27271958       0.28013738       0.03204094
Cl       8.32175994      11.33920002       7.78515999       0.89200298      -0.56979607      -0.58728779
Cl       4.60089004       2.45041997       6.44255994      -0.55894249       0.14055161       0.09379106
Cl      11.72250005       5.32865003       8.60550997      -1.20209490       0.83196920      -1.59900840
Cl       7.25365997       3.45852999       2.02877003      -0.26069599       0.05780344      -0.09288683
K        7.16827004       3.19557004       5.47728996      -0.64855820      -1.28555748      -1.23640737
K        3.01168995      10.82579996       4.59141999      -0.13863917      -1.77850955      -0.27196114
K        0.51248105      10.07239996      11.73289995       0.78431079       0.09491523       0.06007240
K       10.60090004       6.64358996       6.48518001      -0.54122852      -0.36260675      -0.21473982
K       10.28949999       3.98807994       2.39282002      -0.29546093      -0.24170343       0.02251094
K       12.50119995      12.48462008       2.74793001      -0.61573224       0.29663723       0.36840549
K        2.81420001       4.52645000       5.40710998      -0.19618584       0.37413916       0.17543372
K        2.17723996       1.08382003      12.03250002       0.34356207       0.23971122      -0.26647609
K        6.74292000      12.54285899       9.55809997      -1.43924208       0.01425558       0.39161237
K        7.04934000       8.87189994       5.33638001      -0.91642037      -0.30305389       0.48302520
K        5.41289998      11.41559997       1.25864995      -0.88551535      -0.59761341       0.67021730
K       10.71939998       9.23592999       8.22101001      -0.28456430       0.72627861       0.12804861
K        4.09074006       6.44241001       0.06103490       0.97957800       0.18851316       0.26926565
K        6.23391997       8.60713999       9.42799995      -0.46824650       0.27805139      -0.26688799
K        9.93837002       9.27003006       1.00555002      -0.88894319       0.56020829       2.22225268
K        9.93459003       0.90173894      10.56079997       0.24005632       0.04962511       0.12639342
K        1.75119998      12.60027973       7.31718004       1.76151631      -0.10123569      -1.48769042
K        1.62988006       7.98165003       8.67697998       1.07786267      -0.59389067       0.81705795
K        8.78148997      11.53100002       3.80163000       0.80842571      -0.27393078       0.18862054
K        9.83533003       5.72956996      11.04579998       0.06497564      -0.03457062       0.56794183
Li       4.88109001       3.01801000       1.72050004       1.78381839      -0.94051799      -0.40492087
Li       3.96314994       1.48208000       4.54403998       2.70195993       0.52947692       0.99129659
Li      11.45169995       6.55012994       3.93530001      -0.81183478       2.06455027      -1.47820215
Li       7.91527995       1.28826001       0.77363694      -0.77758485       0.12497117       0.35970306
Li       1.10576006       5.67309005       0.28510606      -0.32529902      -0.70770731       0.72059589
Li       7.91199997       4.24227000       8.23892004      -0.35939244       0.58064998       0.28278156
Li       0.15126000       4.74049002      10.03429994       2.42941916      -1.30394541       2.34877574
Li       4.35176003       4.09922005       9.21712999       0.81284975       0.12663123      -0.72821331
Li       9.66052005       1.17279005       6.90261998       1.83890208      -6.36686163      -1.43773157
Li       7.12611995       7.25536003       1.69196004       1.99878757      -2.11014730      -0.94236255
60
Lattice="12.62016507 0.0 0.0 0.0 12.62016507 0.0 0.0 0.0 12.62016507" Properties=species:S:1:pos:R:3:forces:R:3 energy=-534.80577975 stress="-0.010709918917323901 -0.0014227879438546357 -0.0011071691828297087 -0.0014227879438546357 0.0013485142224339717 -0.001799477237759479 -0.0011071691828297087 -0.001799477237759479 -0.017804517079868753" free_energy=-534.80577975 pbc="T T T" config_type=melt 
Cl       2.96715995       5.85701003      11.03219999      -0.39296248       0.49460583      -0.69923361
Cl       7.84970002      10.85960005      11.17790005       0.58630509      -0.01853017       2.10657690
Cl      11.30579999       3.72469003       1.84940997      -1.57072588       0.43718221       1.06521925
Cl       7.00741998       1.47657004       2.56934004      -0.09329142       0.77276631      -0.34601065
Cl       4.55914998       5.64829004       3.07906005       2.13198665      -0.37671441      -0.33608954
Cl       2.40398003      10.74410004      10.38140003       1.07090932      -0.34627648       2.42678781
Cl       8.47799001       2.80644997      11.13920006       0.69739717       0.23843652       3.84569459
Cl       2.15386994       1.04801006       8.09618004       0.24375184      -0.26411281       0.21903100
Cl      11.80729999       3.22533003      10.17790000       0.08493885      -0.01404410      -0.21508540
Cl      10.17269999       9.68865002       8.44182996       0.02380755       0.46517024      -0.53200446
Cl       9.55610005       1.17708999       6.99785995      -1.51782142       0.12517394      -0.44668375
Cl       1.18301995       9.18368996       7.94371999       1.80402453      -0.48272662       2.59313791
Cl       8.73447998       5.61391006       4.85985002      -1.33780370      -0.43353855      -1.94480129
Cl       7.95686995       5.69229996       9.41161001       1.63562664       0.10056586       0.62566164
Cl      11.78050006       8.26158005       4.86783997      -0.60257253      -0.94981916      -0.74124474
Cl       3.16319995       2.26981998       0.05225796       0.95208342       1.32552045      -0.12479377
Cl      12.54529998       3.28389997       5.49569003      -0.14315729       0.06999132      -0.31873529
Cl       7.57084005       7.38720996       0.82908894      -0.36197287      -1.35069743       0.31157583
Cl      10.36869998       9.65876004       2.04019999       0.58202864       0.08152858      -0.13612563
Cl       2.75772995       5.48905006       6.52954001       0.46912610       0.42067584      -0.41751744
Cl       2.92572000       1.81535004       3.31490002       0.11012844       0.35873886       0.20045483
Cl       6.50305003       4.80029004       6.71105004      -0.96046716      -0.54920593       0.20696863
Cl       1.85373995      10.52560006       4.78610005      -0.00849091       0.10548610      -0.14457551
Cl       2.61912003       8.21941999       1.92251001      -0.37081134       0.15005821      -0.13934298
Cl      11.75349997       7.93953994      11.53399996       0.05745921       0.01158913      -0.26195176
Cl      11.46770005      12.41610003       4.57512004      -0.14211669       0.08799365      -0.73737963
Cl       0.05698383       0.10288703       0.97555504      -0.30661358       0.14259083      -0.11503033
Cl       5.71696999       9.08667004       6.65217003       0.15506823      -0.42791532       0.53020927
Cl       6.50503998      10.51100004       3.15558002      -0.21941807      -0.66131000      -1.70828670
Cl       5.71149006       0.50720999       7.55881001      -0.22104087       0.82954640       0.87249778
K        9.71375998       2.49623003       3.84002004      -0.32826288      -0.26193413       1.28223976
K        2.23204000       4.79849002       3.66178002      -2.12286375      -0.42062608       0.47036534
K        8.96672004      10.89029999       4.14922001       1.02099637       0.31098935       1.01755587
K        8.06533005       4.29700997       1.06109995       0.20776228      -0.04667741      -0.11512443
K        0.58046601       3.47170001       0.18171195       1.13145934      -0.18424181      -1.40916577
K        9.24432998       0.26144199       0.71266299       0.03179212      -0.18190838      -0.34618957
K        7.17785001      10.96260003       8.70092006       0.20498128      -0.36765108      -1.42008173
K       10.26369996       6.50880003       2.81861000       0.94015936       0.71787288      -0.79603505
K        5.58632995      11.55129994       5.35765004      -1.07772965       0.75803123       0.14372623
K        1.05265996       4.75483006       8.50901000      -0.18933544      -0.20956639       0.35160131
K        7.90918996       2.39642005       8.84460997      -1.53817480      -0.19302219      -3.51148897
K        5.35060003       6.57046998       9.01421994      -0.30094228      -0.06377582      -0.86703272
K        2.99685002      12.47559994       1.16349996      -0.11751809      -1.45588034       0.66100967
K        6.64276006       7.77172999       4.08782001       0.10860547      -0.59172737       0.09275436
K        3.96716000       2.76993996       5.91230995       0.41968045       0.05011998       0.61778941
K       12.26140003      11.12809999      10.93499998      -0.69005210      -0.23802132       0.14572448
K        4.88693996       6.35258006       0.38026299      -0.23589888       0.56444797       0.07520188
K        3.50003001       8.06319005       4.96267004      -0.49860733      -0.02044757       0.02321073
K        4.03729000       0.98807298      10.37139994       0.28909060      -0.26446677      -0.79418028
K       12.07140003       0.72804306       7.23358003       1.09196845      -0.15776417       0.15277657
Li       2.23854002       8.27359003      10.71380004      -0.52732148      -0.13925769       0.05796842
Li       0.05654654       1.49413996       3.76544003       0.54190313      -0.03703040       0.03534856
Li       8.75597994       9.03144003       0.84716606       0.07471932       1.11869298      -0.78704683
Li       0.43918402       9.62048005       2.96680999       0.20153323      -0.02720836       0.39762224
Li       9.90492999       4.30342997      10.03880003      -0.54556305       0.23754855       0.32914215
Li      10.21009997       8.15423003       9.87072998      -0.03693813      -0.32353199       0.54039342
Li       0.08872784       9.25620000       6.42202996      -1.21316862       0.83502142      -2.00433859
Li      10.02260003       5.76460997       6.25045995       1.45575268       0.26451565       1.68166776
Li       4.97544998       2.93126997       2.05856006      -0.54023372      -0.56567278       0.43109963
Li       2.21978002      11.17649996       8.46116998      -0.11316930       0.55044277      -2.09543680
60
Lattice="12.62016507 0.0 0.0 0.0 12.62016507 0.0 0.0 0.0 12.62016507" Properties=species:S:1:pos:R:3:forces:R:3 energy=-534.90003531 stress="-0.015607081557284451 0.001872506452192515 -0.006263004951969401 0.001872506452192515 -0.013343155206774567 0.004641248707203705 -0.006263004951969401 0.004641248707203705 -0.009119731426803755" free_energy=-534.90003531 pbc="T T T" config_type=melt 
Cl       6.43186006      10.28489994       0.03563493       1.27238418       1.32086168      -0.92408811
Cl      10.31480002      12.59610006       0.92875000       0.56235689       0.86977825       0.35466947
Cl      10.67499997       2.21323002      10.02910005      -0.90707717       0.02070507       0.20442675
Cl       9.46030000       6.16348998      12.14129997       0.63185208      -0.66274176       0.36702946
Cl       0.10483104       2.88894004       1.37976997       0.17740761      -0.57046769       0.31078608
Cl       6.39298995       1.60265003      11.28930001      -0.59803135       0.75770822      -0.37449614
Cl       3.86218004      12.25029996      11.40950001      -0.93324310      -3.84329229       0.88334674
Cl       7.38488003       2.45872997       2.41263999       0.00209310      -0.64552362      -0.47309792
Cl       3.08646998       0.44898395       7.94770002       1.32418405       0.69545686      -0.03937699
Cl       9.90837000       3.97453005       3.29245000       0.60245687       0.40519312       0.50197038
Cl       3.01700001       2.61995005      12.31949999      -0.15103247       0.76221312       0.28036773
Cl       3.53394002       9.92654001       5.89272005      -0.38849772      -0.45703302       0.16144375
Cl       9.93342002      11.91059995       4.76299997       0.35560900       0.47536739       0.28239867
Cl      10.67209998       7.54181998       9.21389001      -2.64045263       2.47401829      -3.80025944
Cl      10.59449998       8.39951000       4.39399001      -0.11405728      -0.50279216      -0.62247402
Cl       1.89410000       5.93886000       2.40029999       0.72022586       0.03104264      -0.11471682
Cl       0.48719605       5.01422998      10.21680002      -1.29483469      -1.25874504      -0.14864936
Cl       8.93034002       4.37320005       7.24430994      -2.46195333       0.21448145      -1.44739502
Cl       1.00235005       8.24114006      10.76129994      -0.72740733       1.38664518       0.25467818
Cl       0.34619700      10.91760005       7.74835997      -0.37612530      -0.34060737       0.67393888
Cl       1.36826000      11.38579998       2.64997002       0.13275429       0.42072747      -0.29759099
Cl       4.44157005       3.61536002       3.46204003      -0.63505131      -0.01637981       0.20688543
Cl       0.39984103       0.39486099      11.11669994       0.96499380      -2.06131938      -0.28913198
Cl       0.49178095       6.37484001       6.74468997      -0.32854355       0.51577570      -0.33801069
Cl       4.38542003       6.82888995       7.96520002      -0.09185322      -0.58399439      -0.12940896
Cl       8.57319995      11.36510000       8.55609003       0.60009089      -0.07078991      -0.30773452
Cl       5.20946002       6.44228003      11.57269995       0.52396453       0.40218146       0.20324810
Cl       0.72810402       2.45581004       6.96770003       0.35023912       0.24485088      -0.27274873
Cl       5.63898002       7.91051003       3.85820001       0.27783697      -0.28177375       0.47745161
Cl       6.17427997      12.19379999       4.27875995      -0.24111532       0.08128319       0.22241741
K        6.70401001       5.89789002       9.24137004       0.78310007      -0.40627444      -0.19733775
K        2.05975998       8.35010004       7.95639001       0.31723814       0.46728601       0.28418416
K        6.10669999       4.44039006       0.80173801       0.01497178      -0.71654942       0.08041085
K        5.89062005      11.13309997       9.07895003      -1.00453133       0.20115960       0.30521020
K       12.02899994       5.69215003       1.48779000      -1.42812767      -0.18023249      -0.41918258
K        5.53352996       0.12990706       1.49014000       0.15252504       0.50641487      -0.34541780
K        8.74630999       0.19882502      11.36829997       0.03949339       0.07232732      -0.68938128
K        8.51400001       8.60180002      11.66439996      -0.12097703       0.71069246      -0.65275587
K        0.65098799       9.88450993       5.06966001       0.19941166       0.24922264      -0.65428016
K       12.13420000       4.19729994       5.25332998      -0.38164099       0.22495492      -0.97896926
K        8.06324003       6.48433004       4.10917004       0.44151905      -0.21059128       0.09056996
K        2.98535999       6.86887000       4.83991003       0.70719411      -0.00325900       0.33192335
K        5.25790997       8.37517000       1.21796002      -1.38879746      -1.04526270       0.31348815
K       11.20980004       0.96390297       7.55323997      -1.00105940      -1.20750167      -0.04616779
K        7.27933999       3.23965998       5.12543004      -0.30433825      -0.49259625      -0.28417747
K        2.66455994       3.61940996       8.61372998       0.24516452       0.10379064       0.00972243
K        2.47434995       6.15956006      11.21679994       2.19316027      -0.28945653       1.39889106
K       10.25139997      10.37599999       2.30376999       0.00955178      -0.56497922       0.40395393
K        3.35901999       0.02037664       5.02289006      -0.10862744       0.29682180      -0.19872691
K       11.06469994       4.43855004       8.44907999       1.93110935       0.51235037       0.79874168
Li       4.00770997       1.38094995      10.78009995       0.87012856       2.44457558      -0.69235201
Li      12.55835213       9.85326998       9.80144994      -0.59088542       0.32893856      -0.16892507
Li      10.64640003       1.56882004       2.79448000      -0.39355773       0.16087067      -0.65242431
Li       2.39898005       3.51838995       2.19779998       0.11837670       0.26792590      -0.33354055
Li       7.82084994      11.70010001       5.49369996       0.48626563      -0.16214225       0.29264819
Li      12.43260001       2.33214000      11.26570005      -0.08369132       1.29968022       0.67273863
Li       1.79138006      12.09890001       9.20462997      -0.49239110       0.03588161       0.96949526
Li      11.63320001       6.79529999      10.53510001       2.32427904      -1.89224812       3.35201099
Li       1.69138002       0.29393488       0.60758901      -0.17765966       0.02269611      -0.31927550
Li      11.06619997       8.39641996       6.39577005       0.03362225      -0.51732573       1.52304655
60
Lattice="12.62016507 0.0 0.0 0.0 12.62016507 0.0 0.0 0.0 12.62016507" Properties=species:S:1:pos:R:3:forces:R:3 energy=-532.31647599 stress="-0.010860843470123368 -0.001681926552301368 -0.0027607209545920243 -0.001681926552301368 -0.009920419137100917 0.00368766237960074 -0.0027607209545920243 0.00368766237960074 -0.018878694575443902" free_energy=-532.31647599 pbc="T T T" config_type=melt 
Cl       2.71154999       8.78965004      11.21160005       0.76979490       0.17012795      -0.05014067
Cl       9.78918995      10.56540002       1.74866004      -0.53298559      -0.30882331       0.07884696
Cl       0.41363487       5.08439999       1.94404001      -1.38498067      -1.73729608      -1.42715717
Cl      12.13089995       5.99827006       9.41572999      -2.18375405      -0.90351789       0.52115599
Cl       5.20862999       2.03948001       5.38410998       0.22213831       0.28191089      -0.09993215
Cl       0.69857599      11.79769995       6.36300002      -1.56830292      -0.91202930       0.39662669
Cl       3.21697006       7.76178000       6.19136994      -0.30657023       0.39395553      -0.05423018
Cl       7.95879996       6.92183002       0.67774994       0.01867945       0.31194366       0.32693716
Cl       9.08933996       9.35756996       5.73156003       0.14765254       0.35552217      -0.37523385
Cl       5.67835001       8.91561001       4.01983997       0.39602307       0.26496187       0.58489654
Cl       6.65192999       6.88952000       7.48242999      -0.97893796      -0.62897790       0.10755644
Cl       2.75280001       1.33359998       8.67021002       0.66894289      -0.07171273       0.64802881
Cl       9.02267003       9.02250003      10.72140003      -0.08678241       0.44825909      -0.32847198
Cl       1.51967005       3.57348000       5.40427006       0.90641763       0.31685159      -2.03424279
Cl       2.23387005       1.05751998      11.60479997       0.18697526      -0.61735658       1.46293197
Cl       5.28967000       0.42883700       2.05787996      -0.65085572      -1.29289608      -0.17377198
Cl      10.43000004       4.95210999       6.64511006       0.13560285      -0.21248476      -0.01688903
Cl       5.89539994      11.01980004       8.97626000      -0.28193653      -0.14744122      -0.21940417
Cl      12.44478503      10.83809996      11.11810002       0.38504809      -0.08028397       0.40605595
Cl       8.13636000       4.61503005       3.87050998       0.18287396       0.06026397      -0.95422477
Cl       4.11170998       5.19167000       8.70240002      -0.33095475      -0.37813438       0.41056044
Cl      10.48620003      12.59170004       9.71208996      -0.51132307       0.88962745       0.57229915
Cl       4.97406996       5.34431002       2.07902000      -0.58063983       0.21778627       0.05503263
Cl       9.05474998       1.57659999       0.10775804       0.08896245      -0.07034900       0.15992586
Cl       9.68948005       0.67241401       4.76601998      -0.38366929      -0.13370901       0.32219756
Cl      12.15500005       2.50845998      10.66169996      -1.46482318       2.26220010      -0.34500911
Cl       6.86899002       2.42955000       8.76656006      -0.41251926       0.92496458       0.68140514
Cl       0.56048500       0.27699899       2.52129002      -0.19906445       0.11381999       1.73730653
Cl      12.58490004       8.42863999       2.66687006      -0.49844051      -1.13808926       1.57961870
Cl       2.30750001      10.34359999       1.51876998       0.88520535       0.24492075      -4.52055996
K        6.34837994       7.58827999      10.86250004      -0.97043895       0.25088824      -0.69900879
K       11.49059997      10.77360006       8.02753001      -0.33798723      -1.26166555       0.33032268
K        0.47626105       4.95340999      11.85760005       0.64380265       0.34042264      -0.51976138
K        7.66084000       4.15984001       6.53647997      -0.14643158      -0.21621949       0.37985811
K       11.03110001       3.07673996       3.89949004       0.22293128       0.59389769       0.40544586
K        5.92825995       9.14279999       1.27097001      -0.31182731       0.46780882      -0.37155786
K        9.26014001       6.20726996      10.90800002       0.88171360      -0.59216284      -0.11122789
K        9.10146996       7.50245996       7.96185997       1.94672622       0.28069507      -0.10831288
K        2.47830006       9.65743000       3.68936000       0.77139868      -1.55316575       5.13537323
K        2.79968001       0.36666299       6.19879994       2.90351162       1.27810433      -1.36150132
K        3.75549004       2.76497998       2.17202001      -0.60474184      -0.07937480       0.13249360
K        1.52094002       7.42844004       8.99468002       2.11259691       1.11060897      -0.80553712
K        1.58600000       6.01226002       3.89820001       0.99750631       1.39351885       1.82736475
K        0.67013796       2.76815004       7.60715004      -1.63893823       0.22408774       1.72702958
K        7.41351001       1.88603003       2.60960000       1.01656169       0.70858262       0.26739783
K       12.11980001       1.90366003       0.75104003      -0.46971275       0.40022683      -0.19247143
K        4.35639996       5.12112997       5.72341006       0.15553214      -0.16036964       0.01731679
K        6.86831004      12.20329994       5.01870004      -0.07814891      -0.47398113      -0.24252597
K       11.88579994      10.73569994       4.34724996      -1.26091286       0.05703908      -1.01384370
K        8.34868002       0.35048697       8.16238000      -0.60855377      -1.00829331      -1.06304170
Li       0.33460500       0.76303487      10.27519996       1.06757021      -2.29605543      -0.02468216
Li       4.62013996       2.98765005       8.84477000      -0.15384107      -0.14443707      -0.01142934
Li       9.81028999       1.87827999      10.75309999       0.34785226       0.14775971      -0.33359740
Li       0.38420805       9.37892997       0.96764106       0.07466596       0.86622365      -1.86189883
Li       5.82856998       8.67289004       6.63971001      -0.60807254       0.29630670      -0.49404536
Li       7.06180002       5.76321999       2.26142000       0.11778872      -0.36336252       0.46875175
Li       3.37172004      11.52230006      10.25659998       0.08100358      -0.01743750       0.09220219
Li       1.84288005      12.22179997       1.07060003       0.44784356       1.14188351      -1.48538235
Li       9.57257996      11.47770002      11.71509996       0.44812255      -0.54613162       0.36184243
Li       8.83675998       8.69153999       3.29521003       0.31470281       0.53058781       0.10231196
60
Lattice="12.62016507 0.0 0.0 0.0 12.62016507 0.0 0.0 0.0 12.62016507" Properties=species:S:1:pos:R:3:forces:R:3 energy=-534.15421043 stress="-0.013930073314174278 0.0016114332817507057 0.0021496397433887707 0.0016114332817507057 -0.012890932361556529 -0.0007343394009909647 0.0021496397433887707 -0.0007343394009909647 -0.011760718684430327" free_energy=-534.15421043 pbc="T T T" config_type=melt 
Cl       7.55768000       5.58589998      11.67580001       0.41152146      -0.90071488      -0.50987574
Cl       7.78142997      11.73579994       3.43992004       0.20420240      -0.12430831      -1.04907837
Cl       0.96793006       9.18704995       0.32380996      -1.12114435       1.33448383       0.96972827
Cl      12.10869994       7.48247997       6.11857002       0.17234055      -0.26005857       0.34800826
Cl       6.59199002      11.51690002      10.88979998      -0.45323609      -0.68470973       0.55682639
Cl       9.22465993       8.33601997      11.25539997       0.57104124       0.44134393      -0.13837578
Cl       3.94139997       7.66709998       9.37208996       0.09546385       1.24295138      -0.48515680
Cl       0.39228294       3.69620997       4.82389997       0.20737491       0.27161514       0.22297375
Cl       2.50670994       3.52206002       1.36550994      -0.83936701       0.07479540       0.14344215
Cl      10.55789998       3.62303005       2.38397997      -0.47968522       0.20980776       0.15750609
Cl       0.18806999       5.62517999      11.69070001      -0.98808144      -0.41359612       0.65743285
Cl      11.36270003      11.84300003      11.35659994       0.33541566       1.26810464       1.16767282
Cl       7.02743001       9.00026999       6.90572997      -0.40931220      -0.28132087      -0.21943504
Cl       2.57907006      12.61539995       3.07206999       0.27749802      -0.43140577      -0.40355434
Cl       2.50726006       7.63884003       4.50491999       1.33182420      -1.18801446       0.26912261
Cl       0.07743658      10.09199996       9.12097001      -0.17386118      -0.96711166      -0.24304980
Cl       4.70410002      11.54839995       5.16174999      -2.67031816      -1.65944587       1.98487618
Cl       5.82693996       8.55321995      12.55399994      -1.54107946       1.04143438       2.74408948
Cl       2.96966000      11.20350005      10.26360001      -0.32039848      -0.50475902       0.61739378
Cl       6.67094997       2.34155994       4.07394994      -0.09297760       0.23835212      -0.09346382
Cl       5.36220995       3.73813000       7.80995003       0.20145893      -0.10936382       0.14147798
Cl       1.31601996       1.42152997       8.56614994       0.93535413       0.44375709      -0.93514023
Cl      10.28009999       8.93426994       3.34840996       0.41591915      -0.17217516      -0.44209278
Cl       9.22080006      12.34220000       7.74646000      -1.85755428      -0.03300405       0.04534683
Cl       9.02314000       1.59889995       0.10855803       0.14341313      -2.03425890      -3.00504615
Cl      11.65449995      12.12740000       4.94362003       0.32761625       0.22594607      -0.20980373
Cl       6.63283998       6.12962995       2.16988998      -0.48085227      -0.21805815       1.10231436
Cl       1.76772002       4.87383998       7.82847000      -0.36783808       0.23555865      -0.69881929
Cl       3.98188003       5.03181996      10.58039997       0.33419254      -0.72779144       2.26659516
Cl       9.00182000       5.09564001       7.24803996      -0.24277599      -0.42200635      -0.00615804
K        2.68334001       7.43360005      12.32940000       1.42816163      -1.58605801      -0.77245572
K        0.54742200       7.04918995       9.37632996       0.17859515       0.51526822      -0.71540068
K       11.71810003      12.38409996       7.83829000       2.04308605      -0.15788011      -0.52068821
K        0.26100306       1.44198006       2.94860995      -0.37355848       0.21813321      -0.20063229
K        9.57971995       7.83981994       7.31010997      -0.03734292       0.09306708       0.42606882
K        3.25962003       2.76514001       6.13037000      -0.61455082      -0.18940829      -0.97777752
K        3.33937001      12.10570000       0.30857503       0.22601959       0.04195730       0.33394127
K        3.16801997       9.68227999       7.32495002       0.07725732      -0.31256901      -0.04408065
K        7.68064003       0.96421696       9.72472994       0.31569162       1.29712497      -0.08523479
K        0.14953104       5.27536997       2.20690000       0.81703341       0.16596247      -0.14566557
K        0.44964298       9.15904997       4.04421999      -0.87598640       1.59480522      -0.55764237
K        5.15344996       3.19529997       1.05979994       0.83859850       0.11462704       0.16041332
K        9.23844999      10.85960005       1.32298995       0.35117924       0.13346744      -0.94822044
K        9.32042995      10.51119995       5.26881000      -0.35381129       0.20031288       1.42376266
K        3.71622997       0.26609605       8.32960994       1.29765923      -0.00938769      -0.52939331
K        9.99751998       2.85222003       5.49992006      -0.13023981      -0.06898716      -0.21342434
K        9.41623997       6.95215994       1.82669999      -0.45130827      -0.85033439      -0.63941531
K       11.96120000       1.85649998      10.13870000      -1.12886618       0.86909094       1.45610376
K        6.17087000       5.68620001       5.62168004       0.40895269      -0.02709667      -0.14247867
K        4.72896995       9.01817006       3.17097006       0.38985031       0.28798941       0.06442571
Li       6.21976001      12.39340001       4.50075004       1.58144532       2.42267251      -0.52255175
Li      10.22729999      10.49519997      10.35680005      -0.59318869      -1.33074051      -0.66968256
Li       5.46267000       6.02259000       9.27453003       0.13462109      -0.18951863       0.05550224
Li       3.38759002       4.04316999       8.90960004      -0.08531213      -0.35187018      -0.22975064
Li       0.75991706      10.70600002      11.38200004      -0.01204370      -0.12113506      -0.86796776
Li       6.02392004       6.63606998       0.15310494       0.27301711      -1.88116424       0.07691116
Li       8.75981004       2.70614995       1.56358999      -0.58141384       1.72851593       2.73301945
Li       6.30139999       9.31269000      10.90049998       0.74734300       1.16519281      -2.81474566
Li       0.93021306       5.79117000       5.71212006       0.14637231      -0.08603698       0.30122157
Li       9.80589994       5.80527000      11.50480006       0.05658433       0.41795226      -0.38991879
60
Lattice="12.62016507 0.0 0.0 0.0 12.62016507 0.0 0.0 0.0 12.62016507" Properties=species:S:1:pos:R:3:forces:R:3 energy=-532.98342793 stress="-0.014818297216286531 -0.002772451708714885 -0.0013778654683512406 -0.002772451708714885 -0.019586461843595516 -0.0016328759676281506 -0.0013778654683512406 -0.0016328759676281506 -0.012249588307062131" free_energy=-532.98342793 pbc="T T T" config_type=melt 
Cl       8.37148995       5.36879995       2.88995003      -0.14246175       0.51687590      -1.83567092
Cl       7.37814995       0.49331203       5.72654995      -0.47086823      -0.02237158       0.72649499
Cl       6.73249006       0.63298596       1.79084004      -0.05275567       0.27521508      -1.32885856
Cl      11.22970002      12.59289996       3.09888999      -0.01886705      -0.79353284      -0.64822127
Cl       0.05256475       5.41235000       9.88528999       0.87680908       0.53206771      -0.01032378
Cl       4.25739994       6.82471999       4.86698004       0.11981162       1.06610028      -1.16128504
Cl       1.19306005       3.46809001       7.19292000       2.50190382       1.12683815       0.37004811
Cl       6.65575996       5.22714996       6.72093996      -1.21113263       0.02651920      -0.25127955
Cl       9.83857001       6.99561003      10.59570003      -0.40552709       0.05480053      -0.19352423
Cl       5.21688004       2.66252002      10.29009995      -0.07779216       0.11557729       0.10964764
Cl      10.98839994       3.86735001      11.91599999      -0.47659860      -0.97363305       1.65752092
Cl       7.73526995       9.10791003       5.95405001       0.09316492       0.58314031      -0.43076793
Cl       5.10533003       5.89210999       0.14761302       1.39472211       1.52015199      -0.49165086
Cl       0.01596274       9.00350000       6.41734006      -0.01943474       0.07434817       0.05533494
Cl       4.57982004      11.80549997       7.37187003       0.84506145       0.67671596      -0.20167229
Cl       6.88620001       9.56715998       0.36358102       1.74581355       1.22247631       0.41276349
Cl      10.83699998       9.30232998       0.47392897       0.12954328       0.03990591       0.00880448
Cl       9.77237005       4.20483998       8.46658000      -0.67148323       0.97165655      -0.75780356
Cl       2.58420003       9.99590005       4.01169000      -1.33172648       0.32377643       1.60749722
Cl      12.11740003       0.37621595       7.97778005       0.80168348       0.66435980      -1.11528631
Cl       9.18254001      11.99460002      10.04309998       0.60621503       0.77379746      -0.21882217
Cl       0.46849296       6.43074999       3.67555001       0.00910819       0.69117384       0.46570574
Cl       3.33501000      11.70069998       1.19332003       0.77581395       1.52787088      -0.02610847
Cl      10.80140001       2.40898002       5.21434995      -1.11135017      -0.09647524      -0.82294179
Cl       3.49710996       8.53104998       1.14419995      -0.38192337      -0.34950405      -0.06942510
Cl       4.05369003       7.68778002       8.85816996      -0.02244698      -0.06245373       0.14548798
Cl       2.39383998       0.13327500      10.22809999      -0.84547927      -0.15978999       0.06449171
Cl       0.84498303       3.43786005       2.51961999       0.88316243       0.32286474       0.28305557
Cl       4.57601999       2.53241003       4.34316002       0.19342102      -0.17746476      -0.11058823
Cl       7.62734003       9.41200994       9.58397004      -0.33228856       1.15998021       0.77847282
K        8.82038001       4.43078006       5.26099005       0.55961317      -0.64982543       0.99698030
K        7.51189000       7.28906004       8.14551000       0.47455584      -0.52949480       0.23025288
K        5.98209000       2.60247996       7.05378003      -0.32390245      -0.55245788       0.83651092
K        9.87746006      12.20169996       5.71285001       1.04834714      -0.24172867      -0.05340372
K        8.96958999      12.07170002       0.20935604      -0.06710508      -0.34462414       0.74304393
K        5.04406001      12.00900001      10.87359998       0.43982026       0.06071390       0.20958323
K        4.70423998       3.54066000       1.00156003      -0.41716539      -2.28296976       0.77073840
K       11.43110006      10.53699998       8.50071994      -0.85166001      -1.22568689       0.78957817
K       11.97450001       6.14641994       7.12443995       0.05284654       0.06535596       0.00380567
K       11.60919999       9.21150000       3.60773000       0.10232673       0.42986521      -0.07808163
K        1.20055996      10.77260004      12.55880002      -0.62076201      -0.38272708      -0.30203748
K        8.12443003       5.01786004      12.19140001      -0.65739399      -0.12113390       0.16340154
K       10.74109998       2.01669001       9.56941003      -0.31149295      -0.64625089       0.80834193
K        6.54390996       7.62579002       2.56007002      -0.29565951      -0.02874353       0.76850307
K       12.04719998       1.92457997       0.88821201       0.01243916      -1.11430972       0.46967076
K        1.83054005       3.12668994       9.67014999       0.85225002      -0.62934371       1.53804526
K        2.78230002       6.59452995      11.38419999      -0.61367141       0.17960820      -0.37661263
K        2.80295999       4.66584994       5.34466994      -0.49648814      -0.47785184      -0.86554034
K        2.02138004      11.56719996       7.32739000      -1.44462705      -0.62133877       0.11926274
K       11.00379995       6.07317995       1.66028999       0.37085012      -0.21652508      -0.26151894
Li       3.29022002       0.90960294       4.84333994      -0.16329024      -0.20931625      -0.18117116
Li       2.26864000       7.86770003       3.83894000       0.29327679      -0.53245140      -0.06336746
Li       6.57207994      11.10080005       7.50974003       1.01589380      -0.76582398      -0.20376542
Li       9.37074996       8.81731003      11.24049998      -0.86701307       1.73984083       0.53311429
Li       4.05583003      10.77660000       2.95166996       1.05420327       0.01614632      -1.15245753
Li      10.35619996       5.08686004      10.49960000       0.90046321      -0.21623198      -2.05411545
Li      12.26170001       2.87426001       6.42109001      -2.02682491      -1.36324226      -0.57793326
Li       4.71459003       6.90913994       6.92095001       0.43854291       0.01719102       0.41263932
Li       6.68547995       0.45276306       3.77590998      -0.20689029       0.24309748       0.46850147
Li       5.40760002       8.36141995       0.00373494      -1.65558046      -1.23072838      -0.70306439
60
Lattice="12.62016507 0.0 0.0 0.0 12.62016507 0.0 0.0 0.0 12.62016507" Properties=species:S:1:pos:R:3:forces:R:3 energy=-536.20541286 stress="-0.005168066399486935 -0.0034081200593686755 -0.0023286631021597792 -0.0034081200593686755 -0.006416581472064382 -0.0018150277829843617 -0.0023286631021597792 -0.0018150277829843617 -0.012694263432607444" free_energy=-536.20541286 pbc="T T T" config_type=melt 
Cl       0.64118604       3.93562006       6.93165999       0.08792111       0.92282728       1.66278098
Cl       1.51070001       0.73256297       6.56342995      -1.33990068      -0.87212664       1.09014759
Cl       8.30972005       4.16785003       9.04459996       1.06756138      -2.43782625       0.41607110
Cl       3.30253995       5.92702998      11.93710002      -0.31887524       0.00481520       0.06483312
Cl       4.79484999       1.32827995       0.16137405      -1.99504824      -0.38404388      -0.27422255
Cl      11.68089995       6.46289002       0.03673490       0.84588659      -0.30801206      -0.33240886
Cl       8.70296995       9.37065000       0.33757402       0.16839251       0.90520125       0.13858378
Cl      11.14409996       0.60588706       4.62692998       0.27046800      -0.73529194       0.37550752
Cl       7.76074994      10.16790003       9.30840003       0.04166451       0.45990387      -0.01708814
Cl      11.71399999      10.39210004      10.18969998       0.14753588       0.04879414      -0.61307533
Cl       7.66379994       1.36321004       0.69498795       1.04543514       0.17078761      -0.28778901
Cl       3.57184998      12.35069994       3.55764006      -0.33276651      -0.02056416      -0.01654352
Cl       4.24272004       8.11458996       5.25610995       0.19381774      -0.00227395      -0.07503299
Cl       2.42241999       3.83000000       2.55874995      -0.13705899       0.23416081       0.09124047
Cl      11.06450004       1.78228004      10.07009994       0.10105534       0.37778754       0.43295143
Cl       4.06625000      10.23409999      11.97069995      -1.23439198       0.47052974      -0.56470874
Cl       3.43314995       8.81287998       2.18180998      -0.41492559      -0.45487154      -0.01110464
Cl       7.70239997       6.49793003      11.92859996       0.73305072      -2.13540801      -0.00977459
Cl       3.56746006       3.23083003       5.45260996       0.21286812       1.22010815      -0.49958486
Cl       5.84288996       7.48850004       8.74040994      -0.18660039      -1.11853864      -0.89933605
Cl       2.32189002       8.54853005       8.59131998       0.00976011       0.04634802       0.48277982
Cl      10.45549996       3.31479994       1.61986003       0.29016120      -0.09821730      -0.55959828
Cl       6.58401003       4.79003994       4.43840996       0.11317671      -0.25751975      -0.27979403
Cl      10.47370001       7.72214006       8.02056002      -0.09737618       0.33138924       1.43849004
Cl       4.75006001       1.17112002       7.39065994      -0.80375276      -1.77386307       1.37754048
Cl       0.25295998       8.52280006       5.70935006       0.44913048      -0.35355496      -0.44349447
Cl       0.66175098      11.29359995       0.59849606       0.31049546       0.30715129       0.50667116
Cl      10.77990005       6.75055002       4.35941000      -0.08619581      -0.50754190      -2.61459874
Cl       3.72831996       4.83095994       8.73683995       0.49392426      -0.54233884       0.52255057
Cl       7.11394995      10.42879999       3.93018001       1.68388963       1.31773886       0.38936915
K       11.35729998       0.44248495       7.53543002      -0.08467575      -0.27053979       0.20259831
K       11.42529996       4.38600005       8.93311002      -0.37612076       0.60167039       0.41942563
K        6.44188994      11.49210000      12.31110000       1.05276985       0.20894796       0.09817467
K        5.38574000       2.79682003      10.54409996       0.35570115       0.44964287      -0.29061795
K        5.15600996      10.01779995       7.25256997       0.24465482       0.03902757      -0.00035605
K        5.23505005       2.08129996       2.89042998       0.14591874       0.40478626       0.28379713
K        9.03854001       0.37373799       2.93772001      -0.73635927       0.03195620      -0.25083170
K        1.01273001      10.34070000       3.85287001       1.33259868       1.10216443      -0.95288177
K       10.67949994       0.13053491      12.48829999      -0.07450792      -0.30934166      -0.15038938
K        1.33565997       8.58316003      11.83689995      -0.04512780       0.13572816       0.04512035
K        6.09928994       8.40592004      11.19609996      -0.11441677       1.14702143       0.85056753
K        2.29110995      12.17709997       9.46712006      -0.02163843      -0.35394084       0.09556367
K        0.20993493       2.98866004       4.61794998      -0.06564601      -0.77066579      -2.02792602
K       10.52460004       9.79903002       4.67110006      -1.02730082       0.17485376      -0.06134946
K        4.59460999       5.74816994       1.82882005       0.62349035       0.27126910       0.65587568
K        1.04324001       6.49076998       3.00146004      -0.01476271       0.22539723      -0.25160082
K        6.53071003       2.98846001       7.03206994       0.79698558       1.42575984      -1.04401982
K        2.43378003       6.24638995       6.59125994       0.39102020       0.43077019      -0.39062679
K        9.45568001       6.86714003       1.75061995      -0.55770152      -0.24962142      -0.16708023
K        1.31885003       3.69771998       0.04947938      -0.53220287       0.03224899      -0.42521029
Li       9.68677996       9.13030994       9.95516002       0.05324474       0.29726070       0.29897248
Li       3.85617006       6.56791995       9.95269997       0.23282163       0.80700529      -0.49437275
Li       9.56103996       3.87549002      11.87380005      -0.13994628      -0.00134485       0.73192376
Li       3.04147997      11.82630002       1.10502001       0.08402644      -0.28435700       0.06534746
Li      10.62399999       6.81640999       6.25471005      -0.01244832      -0.52211085       1.00573558
Li       3.18682995       1.16273998       5.51890003       1.09659216      -0.64473910      -0.71509523
Li       5.76380998       9.01649006       3.61964999      -1.89786211      -1.15994403      -0.08061622
Li       0.25123493       8.75214997       7.73176003      -0.25398938       0.20921788       1.63816863
Li       7.63943999       5.95136999       8.89415005      -1.19179144       2.93090600       0.19387516
Li       2.97172996       3.33919005       7.55549999      -0.58262870      -1.17457904      -0.77353398
60
Lattice="12.62016507 0.0 0.0 0.0 12.62016507 0.0 0.0 0.0 12.62016507" Properties=species:S:1:pos:R:3:forces:R:3 energy=-537.75318875 stress="-0.0030422598150047857 -0.0006890812259192342 -0.0011075875823939622 -0.0006890812259192342 -0.01096232061558241 -0.002685403072385164 -0.0011075875823939622 -0.002685403072385164 -0.00859122321553227" free_energy=-537.75318875 pbc="T T T" config_type=melt 
Cl      11.78940005      11.22559998      10.72569997       0.90558092      -0.10230296       0.25483481
Cl       8.18617002       6.18418995      10.81089997       0.23375695       0.06352262      -0.66983893
Cl       1.85750998       9.80570003       7.55306998       1.44760276       0.07499702      -0.47602729
Cl       3.42065006      12.17380005       9.77889001      -0.80064810      -2.16008135      -0.69505160
Cl       0.49482304       9.61857996       3.67575004       1.32604509       0.63215000       0.15898075
Cl       3.16972003       2.06093997      11.67009999       0.04964922       0.68656129       1.20325474
Cl       4.92801999      11.86539994       1.61504998       0.11896468       0.11761009       1.61183179
Cl      12.35559997       0.11956799       6.81456997       0.67847846       0.27227533       0.20249065
Cl       7.77750005       8.15873000       2.86023005      -0.15988724      -1.09568470       0.28406243
Cl       7.28240997       9.50722000       6.69693994      -0.58608751       0.24160547      -0.45333816
Cl       8.64202995       0.92520197       6.39852995      -0.12653295      -0.17490922       0.46779043
Cl       7.06406004      10.14410004      10.25760000       0.27418558      -0.94855933      -0.41954885
Cl      11.35380003       7.87623997       0.24006494      -0.35468278      -0.04759446       0.60223903
Cl      12.21990000       4.04938996       0.27314202       0.23355071       0.32994012       0.60768858
Cl       1.51590003       7.23803002       9.74484004       0.01952431      -0.14575657       0.00825205
Cl       9.92128005      11.36229997       4.41481000      -0.06490430      -0.21963857      -0.59443476
Cl       2.75224005       4.69000002       3.93673997      -0.28457334       0.44482115      -0.06119276
Cl       3.63362001       8.87161006       0.00123488       0.07553396      -0.18838339       0.07095753
Cl      10.84299999       4.58465003       6.98445999      -0.07204790       0.10587982       1.57720386
Cl      11.90609998       6.48812000       4.07769005       0.10605908      -0.50660588      -0.11308200
Cl      10.55830004       2.12911006      10.07280002      -0.04348543       0.24200544       0.01229402
Cl       7.52682004       0.57263494      11.99560004       0.16754328       0.41992926       0.38304540
Cl       6.65920994       4.50553005       5.81542002       0.25083688       0.54654787      -0.54050184
Cl       5.06123997       1.98084003       8.32001003      -0.16004475       0.21680891      -0.30153761
Cl       3.38197001       0.28830502       4.29371005       0.31844233      -0.05973610       1.17176836
Cl      11.44690000       9.25851996       7.44693994      -1.56801551       0.04185192       0.75821573
Cl       1.66855001       2.29210000       7.97549997      -0.13434974       0.74475730       0.47493877
Cl       1.00933998       0.35279104       1.90048997      -0.67769070       0.76556693      -1.17972609
Cl       5.76354004       3.27510005       1.42352004       0.09937084       0.83795468       0.59411457
Cl       9.30760004       4.40288003       2.53909998      -1.36957690      -2.87478160       1.10952855
K        7.29595002       7.98469994       0.12038704      -0.53960393       0.63943752      -0.81046922
K        7.79955998       3.00631994       8.20127005       0.36874155       0.08334367      -0.12833342
K       10.52430006       8.78114001       3.10719002       0.23568302       0.55089882       0.18362417
K        2.54678995       2.94569002       1.59284997      -0.26500328       0.25072123       0.51442248
K        8.56715994       0.34289001       2.36101998       0.00896920       0.11244337       0.05962641
K       11.33539996       3.40766000       4.64522001       0.25731667      -0.30907471      -0.71624357
K        0.19791801       1.38891000      12.06280002      -0.46157979      -0.21984601      -0.70905664
K        5.76194005      11.84049998       7.81139996       0.51656394      -0.05860290      -0.09198564
K       11.01079997       7.47054003      10.03880003      -0.00040994       0.20681924      -0.46952963
K        3.89880994       9.19500002       9.56337002       0.05036167      -0.47455917       0.18703737
K        5.78320995      10.09489995       3.80760994      -0.04359532       0.10603631       0.44800497
K        0.69976203       4.57537005      10.35929998       0.25359138      -0.23902300      -0.45468147
K        5.20682001      11.41849996      11.70229996      -0.07918689       0.04801058      -0.32823062
K        1.41761999       6.78614999       1.31458000      -0.24586517       0.02816467       0.30234993
K        7.94266003       3.63236001      11.88159995       0.14289853      -0.77459770       0.33392934
K        1.06238998      10.57090002       0.09844133       0.32358757      -0.54334439       0.48074747
K        4.73144994       2.76279997       4.56087995       0.62967532       0.25153811       0.24690929
K        7.72634005       6.78081002       7.19513004       0.50670685       0.02777933       0.38568236
K        9.38181999      11.84380003       9.74408006      -0.87164594       0.48054700      -0.37493286
K        2.06933995       6.61256997       6.18589998      -0.40512363      -0.18483712       0.01586754
Li       9.67241001       6.06703999       1.84118996       1.94273954       3.22035391      -1.65101588
Li      10.52300005      11.70950002       6.67766996      -0.76746583      -0.39385824      -0.84722345
Li       7.73629004       5.85101002       3.46784001      -0.44215945      -0.46758805       0.70307828
Li       5.32118003       1.29284997       1.06281995       0.12001558      -0.53939150      -0.81317955
Li      11.86879994       2.57087995       8.29663004      -0.17233581      -0.28295591      -0.80798392
Li       0.63237300      11.00020004       9.00089999      -0.31021568       0.14795407      -0.53932210
Li       2.68396004       0.73580295       6.52778997      -0.48856841       0.02879992       0.25805044
Li       3.00268003       1.51411995       9.74758998       0.20428312       1.11821656      -1.71488749
Li       0.36302296       9.30126005       6.05163001      -0.05571308       0.44020354      -1.02236674
Li       1.58087003      12.04439995       3.54069004      -0.31525966      -1.51434023       1.31089995
60
Lattice="12.62016507 0.0 0.0 0.0 12.62016507 0.0 0.0 0.0 12.62016507" Properties=species:S:1:pos:R:3:forces:R:3 energy=-534.77622915 stress="-0.015234701207793333 -0.001843932249195382 0.004361352000324982 -0.001843932249195382 -0.005460232196892134 0.0036048763881700503 0.004361352000324982 0.0036048763881700503 -0.008684516849991475" free_energy=-534.77622915 pbc="T T T" config_type=melt 
Cl       3.30118997       5.83817998      11.42390000       5.90107191       1.00216913      -4.97751331
Cl       5.05388998      10.48440002      11.51350002      -0.48424724      -0.74812965       0.06818273
Cl       3.55040996       1.49395003      11.93459997      -1.46278581      -0.78721255      -1.85045331
Cl       0.89936294       8.13167994       4.72738006       1.08236862       0.25210532      -0.21034647
Cl       3.29082995      11.78849998       3.79734003      -0.75332523       0.29076232       0.43020807
Cl       8.82927004      10.95939993       3.39583995       0.30097496      -0.17735867       0.26759816
Cl       0.36293298       9.70234997       1.09068994       0.02180959      -0.28370368       0.42918373
Cl       3.15160000       6.57030996       7.46522997       1.31577252       0.58985920      -0.88592263
Cl       9.19177999       7.05274997       1.43141004      -0.42382063       0.46082426      -0.37937457
Cl       0.43123495       1.17885000       1.02088995       0.37054173       0.32742119       0.18199332
Cl       5.65081003       2.29361997       1.65278995      -0.02204716      -0.15975827       0.21527966
Cl      11.14730006       1.57696005       4.28855004      -0.13113803      -0.11921354       0.34265206
Cl       6.93321000      10.25659998       7.18334003      -0.36434314      -0.99236776      -1.07638686
Cl      10.79969995      11.88800001       9.66611003      -0.76514983      -0.42073413      -0.65117018
Cl      10.61580004       6.70494996       5.73319005      -2.19471652      -0.30261681       0.36086356
Cl       6.21081004       5.30732006       4.20676001      -0.52855592      -0.00440352      -0.00401947
Cl       2.17977006      11.38499998       9.24621000      -0.13482543       0.91530651      -0.55520749
Cl      12.16609999       4.19967997      10.09550004      -1.78039281      -1.07399753       1.27036007
Cl       9.43860000       3.68250006       0.90314394      -0.16361534      -0.01501255      -0.07225271
Cl       5.40114001       1.49793005       6.61611005      -0.64734403       0.54129259       0.26657551
Cl       1.68935006       5.00747996       1.97384001       2.17293158       0.82645850      -0.18900581
Cl      12.04820001      10.98859997       5.89504998       1.56058773      -1.13767600       1.65042641
Cl       8.14970999      11.83999997      11.95809998      -0.06043736      -0.49947062       0.42765310
Cl       4.51959005       8.41918004       3.73443999       0.02569675      -0.02839318       0.10565349
Cl       6.38525997       3.82264005      11.14929998      -0.84718349      -0.20827491       0.31190392
Cl       7.97351999       3.49382998       8.27032002      -0.02538185      -0.16047103      -0.15811743
Cl       0.92996204       4.06120004       6.23416997       0.15365798      -0.05282250      -0.62096235
Cl       8.54116997       7.79409999       9.75367996      -0.50185685      -0.09782466       0.14835922
Cl       5.53371005       0.60623487      10.07679998       2.34638309       0.87388619      -1.99595869
Cl       0.27440202       7.35094996       9.00404001      -0.59486249       0.57296930      -0.02034529
K        7.52922998       2.84215002       4.06129999       0.76054763      -0.34523877      -0.10245702
K        7.36143000       8.94512000      12.56287861       0.20120137       0.64727564       0.13487486
K        7.42284994       0.14270100       7.87493997       1.07145560       0.96994630       0.46506378
K       12.59419517       0.86879400      10.78579997       0.80212701       0.59390523       0.31624694
K        8.38932995       1.95210001      11.25959997       1.03400554      -0.00564135      -0.20737579
K        1.63989996       4.88253994       8.87524997       1.43249227      -0.05632273      -0.12178342
K       12.09659998       3.87532003       2.27139006      -2.29447088      -1.61199961       0.41477384
K       11.23600000       7.55804005       3.19860002       0.34452374       0.61758502      -0.77235560
K        4.19618999       2.21139997       4.25129001      -0.54840302       0.06333884      -0.38320294
K       10.73190000       4.24810998       7.40074004      -0.25952190      -0.12688129       0.09544233
K        5.77596005       5.89416001       9.56148002      -0.02411851       0.75988989      -1.04177920
K       10.57759994       6.61877001      11.41960006       0.50795283      -0.49993869       0.05313753
K        2.44050002       8.98683002      10.58190000      -0.07835141      -0.56465924       0.44068955
K        0.58850101       1.07455001       6.64079005      -0.15588336      -0.24338842      -0.17854997
K       10.62100005      11.55509999       1.09288005       0.07416503       0.27357188      -0.18702687
K        3.01448998      10.01859995       6.29233000       0.31269624      -0.33788357       0.10257787
K       10.78139995       9.24323997       8.20770003       0.14948230       0.33186005      -0.22756503
K        5.24270002      11.82740000       1.72479998       0.36216403      -0.32167972      -0.23911790
K        7.49993000       8.05257005       4.89335000      -0.31316028       0.13595635      -0.21850749
K        6.73443003       5.73307004       0.71318900      -0.22495067      -0.79650713       0.76768278
Li       2.02178995       5.65895004      12.48880013      -5.72787511      -0.84124391       5.03237687
Li       5.52998003       1.74963003      11.89920003       1.33252889       0.74932745       0.67225815
Li       7.40126996       9.49177002       9.00308000      -0.06141681       0.03617452       0.93380027
Li       2.65060999       2.16657996       0.82454694      -1.87079326       0.90858005       2.42858258
Li       1.41778001      10.02790000       3.60034998       0.23980230       0.19209655      -0.81274393
Li      11.01519999      11.84090004       4.53527995      -1.94903540       1.40141615      -1.85795106
Li       4.91476995       2.59516998       8.90894997       0.93629353      -0.58495492      -0.19095744
Li      12.53283782       6.94738005       6.14480002       1.70972565      -0.24315762       1.22527518
Li       3.81792995      12.36150002      10.52709997      -1.34959742      -1.36736457       0.37487668
Li       3.18623996       5.73485995       4.84617999       0.22064675       0.88232469       0.25385801
60
Lattice="12.62016507 0.0 0.0 0.0 12.62016507 0.0 0.0 0.0 12.62016507" Properties=species:S:1:pos:R:3:forces:R:3 energy=-530.71322244 stress="-0.011631013770938182 0.003833765110698587 -0.0035721058375838216 0.003833765110698587 -0.01687853986815584 0.005150192933086144 -0.0035721058375838216 0.005150192933086144 -0.009297596935699837" free_energy=-530.71322244 pbc="T T T" config_type=melt 
Cl       5.44927004       9.37443997      11.54380003      -1.81847242       1.23833404       0.10921205
Cl      11.62179997       5.74638999       5.94617995      -0.26572976       1.39279260      -2.19503567
Cl       1.07217995      12.33800001       3.36488003       0.29418549      -0.15096248       0.59061009
Cl       9.11888995       7.91135003      10.63369998      -0.10911575       0.26753631       0.08514800
Cl       9.43494003       2.80533006       8.10584999      -0.01930155       0.99238014      -0.58143623
Cl       7.05551997       8.99593004       1.66565999       0.45890065      -1.03428747       0.15934813
Cl      10.24309994       1.61236996      10.97150002       0.32708421       0.47990522       0.91516018
Cl       6.10882005       4.10360001       4.73348002      -3.95033001       2.47403497      -0.82828472
Cl       1.22557995       5.99547999       9.70663994      -0.05678529       0.07598275       0.56064588
Cl       6.58196998       1.47818996      11.25450003      -1.90823342       0.34818267       4.61235021
Cl       2.35824001       2.49897997       1.94186000       0.09882098       0.37185256      -0.49618707
Cl       5.19087001       0.13648595       6.47203005       0.51548844      -0.80158182      -0.35507605
Cl       5.36374999       5.83490000      12.11610003      -0.19924507      -0.20281292      -0.03223235
Cl       8.04947004      12.50059999       2.25696003       0.19024122       0.21785367      -0.06600562
Cl       7.52695002       6.50894996       7.79742994       0.17353989       3.20846252      -1.07956412
Cl       4.34968995      12.06720004       1.71173003       1.73191383      -0.08354557       0.14314913
Cl      11.29320002       2.29608002       4.66578003       0.62727141      -0.30896461       0.02045126
Cl       1.31218999       2.28567002       7.70742999       0.39221145      -0.37433774      -0.12237467
Cl       3.43599996       8.50419995       2.42547003      -0.00728400      -0.48405790      -0.51643969
Cl      12.13180002      10.76929999       0.31643802       0.91341617      -0.47780410       0.64731668
Cl       5.61200000       7.77450996       5.32454002       0.14401039       0.44671563      -0.59757790
Cl       6.23235999       3.96718006       8.68363005      -3.41910099      -2.63468418       0.62313481
Cl       9.32560005       7.45881994       4.11345005       1.24625868       0.09352856       0.45422900
Cl       3.81871997       5.38574997       7.10239997      -1.72813117       0.02922420      -0.19263585
Cl       0.19605906       5.41267004       2.63292005      -0.25692894       0.10753608      -0.73233826
Cl      11.65859999      11.44350000       9.83677997       0.64833968      -1.73697137       1.41112395
Cl      11.87150003       9.27340999       6.41370002       0.26613757       0.99672029       0.50576468
Cl       9.23059002       4.08471002       2.51742005      -1.61786959      -1.73738507      -0.89879826
Cl       2.85336001       9.67749001       7.93252995      -0.02479280      -0.18752321       0.15519910
Cl       9.07615997      11.73569998       6.09439003       0.05365389       0.18795629       0.66942762
K        4.01417995       7.36424997       9.15862997       0.15063942      -0.26897279      -0.02875021
K        4.08966003       2.53400004       6.85451002       0.27570393       1.09246705       0.22396115
K        2.43973006       6.40970006       4.17642997       0.34791779      -0.57975585       0.46035961
K        5.04834001       1.50677994       3.12781995       0.22177532       1.14020175       0.61543075
K        9.65708005      11.59690000      12.21300005      -0.69885317       0.05058718      -0.17060179
K       11.19239998       0.51376402       8.19012001      -1.02542458       2.47466599      -2.50297614
K       12.21059995       8.80241003       9.84561004       0.05282076      -0.74473005      -0.30013370
K        1.61483998       6.95171003      12.42929997      -0.01458209      -0.21162767       0.80864638
K        7.37557998       1.19373006       9.10166002       1.39902768      -0.68274834      -4.33638756
K        2.00217998       2.45147994      11.38889999      -0.35530434       0.07551421       0.09407497
K        7.90960996       2.68888998       5.04645999       4.39524086      -2.94922542       0.92413642
K        9.23605001       4.79065997      12.53580002      -0.18377734       0.18575140      -0.94078246
K        7.00465995      10.87599995       4.41489001      -0.59193163      -0.59482517       0.73161361
K       11.64890000       1.88440001       1.39331002       0.14257563       0.07364386       0.54000701
K       10.89319998      11.80950006       3.75664996      -0.06474055      -0.14136311       0.10114497
K        1.54222998      12.09760000       7.87866001       0.01938267      -0.44787206      -0.09424978
K       12.08299999       4.33200998       7.86326998      -0.13513704      -1.15070494       2.15096505
K        1.81041997       9.42942994       5.10899997       0.33996134       0.39794838      -0.24455262
K        2.64200001      10.56570000       0.68189099      -1.81182456      -0.55606612      -0.82958417
K        8.18981006       9.85532997       8.25627996       0.14634380      -0.31540484      -0.36254953
Li       7.82754999       4.89455005       8.75344001       3.30527020      -0.79317063       0.91703159
Li       6.83344999       8.26852001      10.73249997       1.74766830      -1.67381535      -0.34630242
Li       5.13428005       7.93847998       0.74702000       0.14396544      -0.08850395       0.26414176
Li      10.59440003       7.65012006       6.20791006      -0.63967416      -0.71324431      -0.65374025
Li       1.28527004       2.41280998       4.88176002      -1.19629101      -0.38334005      -0.56159810
Li       6.45278997      10.95500004       1.82131004      -0.74885437       1.21682472      -0.82393353
Li       5.77886003       5.65837999       6.45382003       0.88069863       0.39542390      -0.43684641
Li       5.24706003       3.08507002      11.65090005       0.61991843       0.90654467      -0.03322310
Li       7.48621995       7.51204006       3.30994004      -1.46479908      -0.14985325       0.20516236
Li      10.40310003       5.27838997       3.46575995       2.04213053       1.72157074       1.66125182
60
Lattice="12.62016507 0.0 0.0 0.0 12.62016507 0.0 0.0 0.0 12.62016507" Properties=species:S:1:pos:R:3:forces:R:3 energy=-534.06933447 stress="-0.008369160588115855 0.0001147488408039564 -0.006707278923240172 0.0001147488408039564 -0.016562946478865512 -0.002485898706979809 -0.006707278923240172 -0.002485898706979809 -0.010996025956990422" free_energy=-534.06933447 pbc="T T T" config_type=melt 
Cl       7.63648006       0.46050099       9.84843002      -0.93856427       1.53035635      -0.08092488
Cl      10.89460006       0.17095402       8.62573997      -0.31132113      -2.38425433      -0.66291225
Cl      12.49519994       1.25006004       2.34157004       1.67707347       0.68478890       1.73664254
Cl       1.43579997       4.49816997       4.68539000       0.14569863       0.43425233      -0.51587121
Cl      11.29890004       3.19030996      10.47570005       0.42752747       1.22240015       1.13200972
Cl       6.57664995       7.32508998       4.03804999      -0.18384147      -0.03095181       0.26409252
Cl       0.55769797      11.29870001       5.18037003      -0.17783558       0.77716043       0.09322876
Cl      12.33140004       7.79267000       8.98269995       0.04219441      -0.82468899      -0.15938771
Cl       9.67610999       8.50608995       6.20474000       0.72051804      -1.82589497      -0.76448301
Cl       4.91290002       0.24657506       2.04728003      -0.72824181      -0.70185522       0.09203498
Cl       4.48171997       6.42579998       7.56720999      -0.20192825      -0.35174698       0.21491603
Cl      11.31460003      10.75330002      12.29950005       0.39984073      -1.45430792      -1.19972784
Cl       7.44394997      10.44739996      12.06640005       0.35988091      -0.16679911      -0.05857537
Cl       4.48988004       3.63547000       1.46824994      -1.47698208      -0.39048049      -1.13797005
Cl       0.22356698       6.43082003       0.18279501       0.25030493      -0.63328380       0.03019860
Cl       0.67366302       8.43330996       3.53804006       2.45635746      -1.57905756       1.18500546
Cl       6.62905001       2.70872004       7.05387001       0.04433399       0.25966831       0.27523915
Cl       5.92781004       2.84938996       3.99913003       0.01270584      -0.06997905      -0.12644292
Cl       5.71999996      10.71709996       6.51274005       0.28144551      -0.41086806      -0.19872923
Cl       3.90389006       8.61825999       0.20562805       0.41055924      -0.11329964       0.90944162
Cl       9.43981002       8.06451996       1.74623003      -0.18227534       0.01636484      -0.01496512
Cl      10.30999994       4.00290005       3.29614998      -4.13104953       2.48098874      -0.67699426
Cl       1.68188006       1.36113995       7.27178000       1.61904517       0.20541875       0.44043304
Cl      11.67479999       2.51752997       5.99019000      -1.08155594      -0.36148109       0.06637269
Cl       7.55882995       5.12745002       9.71040996      -0.10120040      -0.05660563       0.06222152
Cl       7.79598001       9.68953002       8.85667006      -0.32321899      -2.17451500      -0.64581220
Cl       8.46133998       1.93142994       0.64171899      -0.62945585       0.39301192       0.15501507
Cl       4.71322995       2.94758998       9.92330003      -0.11828937      -0.01483875       0.14118676
Cl       8.61128003      11.23899994       3.56830006       3.16772114       0.85597315       2.61090890
Cl       2.68582000      10.44169994       8.96344006      -0.08363737       0.08269285      -0.16585427
K       11.03009999       0.54046602       0.47353497      -1.87039425       1.21093270      -1.61363115
K        9.29041995      10.97380005       6.69029997      -0.82192992       1.96486990      -0.13222434
K       10.32130003       4.65672998       0.02349244      -0.12662515      -0.01516082       0.92115439
K        6.77662000      10.57779996       2.22990997      -3.10363683      -1.33366071      -1.94529981
K       12.30380000      10.30270005       2.27770001      -0.79875819       1.81376288      -0.75946467
K        3.89848005      12.20490005       5.20889994      -0.45025703       0.58041115      -0.70200600
K        9.61865997       7.01736997      10.23980002       0.68814525       0.72405755      -0.00503275
K        2.84605003       5.89970001       2.51325994      -0.70564122       0.78038222      -0.20428448
K        6.01789000       5.78604002       1.53269999       1.25046595       1.08343791      -0.03612777
K        3.63143003       7.97628999      10.21860003      -0.39124096       0.12404485      -0.73905370
K        4.45422997       0.09957689       8.29763006       0.26539944       0.55363735       0.27891954
K       12.24020004      10.28310005       7.73344003       0.23718105      -0.18645489       0.68706262
K        0.26621203       4.76300994       7.24341000       0.08244482       0.26890879       0.54687693
K        2.55314004       4.16374999      11.27289998      -0.67500143       0.02333320       0.52740354
K        2.24740998       9.15533005       5.95673003       0.56041472      -0.60105479       0.34709353
K       11.24850003       6.86441003       3.83210000      -1.00998413      -1.05030810       0.05014404
K        7.29243000       7.41885995       7.46807001      -0.47910460      -0.55622366      -0.67241812
K        2.44916994       2.10499999       3.52606996       0.39744661      -0.28256156      -0.15513495
K        4.77750004      11.77580005      11.72200004       0.04394899      -0.25844659       0.11390314
K        8.63672998       1.80962995       4.98220000       0.09224864       0.13841410      -0.38718992
Li      12.48530005       0.48771095       6.73707004      -0.39144475       0.07313613      -0.52107617
Li       5.41201998       4.37510002       5.44903997       0.30224724      -0.08642730       0.60921147
Li       5.31016995       5.01805994       9.22405000       0.36771747      -0.50983243      -0.50927202
Li       8.39497002      11.25359996       9.72004003       1.20472222       0.93858392       1.91053786
Li      11.23999997       2.05211002       8.92165999       0.39112530       0.63843657      -1.51392564
Li      11.88469996       3.15987000       3.41743999       3.86968413      -2.18104348       0.84988261
Li       6.12099006       1.88255002       1.32259999       0.72268404       0.56745851       0.15829042
Li       9.51306996       9.77767998       0.21177697      -0.61049064      -0.19107806       0.20268598
Li       7.64288996       2.55756997       9.08193003      -0.41611373       0.24505205       0.15380985
Li       8.37063002       8.74828997       4.33527002       0.02893741       0.12522427      -0.46113147
60
Lattice="12.62016507 0.0 0.0 0.0 12.62016507 0.0 0.0 0.0 12.62016507" Properties=species:S:1:pos:R:3:forces:R:3 energy=-535.4561458 stress="-0.007769291280623336 -0.0007759514924011554 0.006151764969007343 -0.0007759514924011554 -0.007879366741537214 0.0020513855946536607 0.006151764969007343 0.0020513855946536607 -0.010052423759596531" free_energy=-535.4561458 pbc="T T T" config_type=melt 
Cl       8.30688001       7.12224998       5.06248999       0.11261461      -0.51163437      -0.21723643
Cl       8.68928994      12.42930602       0.39705096      -0.00848519      -0.28640071      -0.06977040
Cl       9.00488001       3.12613995       8.83928994       0.11900043      -0.59210640       0.03229947
Cl       9.05710995       2.83857006       3.08940997      -0.12685045      -0.10236277      -0.32874558
Cl       0.36575396       7.69872006      11.75470002       0.85154945      -0.13107275      -0.19388298
Cl       5.06713005       7.62610994       8.28859995       0.97446954       0.41971006       0.97364149
Cl      10.53809995       9.49526000      10.02100005      -2.87728354      -0.79266555       1.78842684
Cl       3.44576999      10.20370003       7.48403995      -0.03085313       0.95443704      -0.19271231
Cl       4.38643002       4.67569998      10.29590006      -0.11907972       2.26339566      -0.29091536
Cl       8.47792994      11.66430001       7.64645996      -0.19580573       0.50781093      -0.08406311
Cl      11.76590004       9.26984997       3.59749996       0.56902011       0.34997305       0.01894340
Cl       2.53531998       1.82829000       5.96334994       0.48825709      -1.22832565      -0.71864376
Cl      11.64299995       9.42132994       6.94587005       0.43961216      -0.37506368       0.49098714
Cl      10.98079995       5.31610003       2.32694995       1.69033931       0.02166571      -0.40788557
Cl       9.20370996       7.70135995       1.79480000      -0.03818113       0.62689970      -0.38821766
Cl       5.91191999       4.28313006       6.61566999      -1.23143264       0.28578912       0.49345357
Cl       2.10255004       5.92379001       5.93823997      -0.04658584       0.28336316       0.14502289
Cl       5.96265002      10.12060003       4.76504002      -0.78513953       0.04650289       0.19878455
Cl      12.59227842      12.41510001       4.73382998      -0.06837650       2.12325136      -0.75918653
Cl       5.41977002       0.42286097      10.24060001       0.58260891       0.52479771       0.04776288
Cl       0.42887397      12.08240002      10.55760000      -0.90511996      -0.37352932      -0.30558785
Cl       0.85808301       3.10329998       9.00143004      -0.62519773      -0.07809249       1.42072768
Cl       2.19723005       0.01853498       1.12525001      -0.60359671      -0.19942047       0.01598553
Cl       4.61781999       6.48929998       1.47943999      -0.05527829       0.10789191      -0.29997530
Cl       4.43914003       2.55540006       0.21372300       0.57874742      -1.16698043       0.29990454
Cl      11.03979998       4.15472001       6.29111001       0.84282421       0.83854999      -0.55437649
Cl       8.90020003       6.57903996      10.58979997       0.46303713      -0.62425503      -0.47639632
Cl       4.43467994       0.77372301       3.57926004       0.49665717       0.24224628       0.18173367
Cl       0.71637698       3.11946994       2.49649001       2.15694776       0.30404107      -0.83458835
Cl       3.92786004       9.36931996      11.66079994       0.37744508       0.67450669      -0.14605818
K        4.43645005       3.49092002       2.54911004       0.05723890       0.74423515       1.82878041
K        5.05645995      11.79290000       1.30836002       0.02086782       0.10595356      -0.42336553
K        2.88982004      12.49669998       9.29329003      -0.39502455       0.11345586      -0.36175700
K        8.35106005       3.74572002       5.67303995       0.45631485       0.31531643       0.26011627
K        4.73009996       7.30816003       5.63423004       0.62241118      -0.07907360      -0.91309591
K        2.88920998      11.49520002       5.01334000       0.36243650       0.18042769      -0.30211705
K        0.40144101       1.99131994      12.12310006       0.24388906      -0.00115874       0.08415840
K       11.41520004       6.18782999       8.49545998      -0.47047938      -0.33218745       0.47847298
K        9.80517996      12.38659610      10.21529998       0.02184481       0.04753667      -0.02154344
K        5.99777005      10.28810004       9.77725002       0.03654055      -0.06241159      -0.44278367
K        7.70944001       2.59268002      11.37509997      -0.42766559       0.01931558       0.23057268
K        8.45645004      10.01950002       3.65015003       0.67399655      -0.22048719      -0.05664686
K        2.31463002       8.04223994       8.56213004      -0.72425097      -0.74662193       0.50991361
K       11.06339994      10.32420002       1.12580000       0.11506871       0.26241956      -0.82220548
K        6.16894000       0.99805301       6.47930999      -0.24268183      -0.06494972       0.04729423
K       11.16469998       1.52892000       7.15099000       0.18414346      -0.39131171       0.20980007
K        7.41212999       7.97522005      12.33109994      -0.87844988       0.20467298       0.18626099
K       12.07619999       7.01622002       5.10388994      -0.73205789      -0.93174170       0.09306196
K        8.16918000       8.84644002       7.32197002       0.09060064      -0.28453657       0.20649887
K        2.20581000       6.57267006       2.97772997      -0.59188429      -0.10673336      -0.17004314
Li       0.11243494      10.62559998       5.47122004      -0.63814126      -1.88815245       0.16719687
Li      11.31800003       6.83280005       0.15887198      -0.94479163      -0.36456712       0.51399008
Li       1.99198995       3.11819998       7.33048005       0.17868283       1.44654102      -0.04326843
Li       5.39023000       5.59054004       8.77053995       0.90329811      -0.52099248      -1.11795008
Li      11.48829995       3.05086004       3.13348994      -2.39152045       0.45896445       0.77315964
Li       8.93995999       5.45667000       2.76753001      -0.47319313       0.27262169       0.35274829
Li       3.38557004       7.38834994      11.95510004      -0.13221548      -0.92586457       0.56517831
Li       1.63564003       1.22518001       2.95719002       0.43562647      -0.65424760       0.33676948
Li       3.98315000       2.97015004      11.00830005      -0.72088381      -1.97132995      -0.91185682
Li      12.07690003      10.02390004       9.12219997       2.33441538       1.26198442      -1.09677117
60
Lattice="12.62016507 0.0 0.0 0.0 12.62016507 0.0 0.0 0.0 12.62016507" Properties=species:S:1:pos:R:3:forces:R:3 energy=-532.03075784 stress="-0.01650242906852433 -0.0014692528335762372 -0.0020014226761084944 -0.0014692528335762372 -0.01586222505687932 -0.001777208394526587 -0.0020014226761084944 -0.001777208394526587 -0.02388793160699702" free_energy=-532.03075784 pbc="T T T" config_type=melt 
Cl       6.12442994      11.07970002       1.40854003       0.39619944       1.02016313      -0.96381540
Cl      10.16599994       4.05273999      11.66400003      -0.33952423       0.01387279       0.21132230
Cl       2.93408994       9.79367996       1.94640995       0.51253849       0.12584360       0.44690204
Cl       8.82438994       7.40909005      12.54501009      -2.00745259       2.57809006      -1.44387508
Cl      11.73909998       8.08598005       8.18262994       1.04525089      -1.89433438       0.63894481
Cl       2.70529998       1.74054995       7.06026995       1.88548671       0.71449366       2.49189919
Cl       7.13122998      10.26029996       8.68514005      -2.32852871      -0.95767443      -0.81308388
Cl       4.71905000       2.66823001      11.83449997       1.68239938       0.45283134       1.57397146
Cl       0.95648206       6.39651994       1.11732997      -0.19940878      -0.32026212       0.44750834
Cl      11.77330000       3.18447995       6.47797995       0.10063729      -0.00945041      -0.26999621
Cl       0.08446424       9.45324002       5.26000996       0.32642002      -0.42101937      -0.18644185
Cl       4.50742005       1.54847002       2.13969005      -0.04977100      -0.14603126       0.69689596
Cl       3.87016002      12.25780000      10.95760005      -0.09023021      -0.06692028      -0.06954933
Cl       3.37810003       5.76976998       8.95838997      -0.35547756      -0.53313642      -0.87888886
Cl       6.22240003       8.27847997       3.59731003       0.11029125       0.72806251      -0.96877640
Cl       3.40303004       4.60845999       4.91559998       0.67388311      -0.34217586       0.40694971
Cl      12.35780004      10.56079997       9.55611002       0.10685792      -0.14397156       0.73396957
Cl       2.77726003       8.56613000      11.34290000       1.02344861      -0.91816090       0.02088656
Cl       4.76861998       6.35989004       1.45446999      -1.34727817      -0.22521149      -1.00172090
Cl       7.40155997       1.96067995       5.19270006       0.31682342       0.59657774       0.72540775
Cl       4.72635000      11.35529994       6.01956999      -2.01535602       1.73656333       0.52314152
Cl      11.81469995      10.31489997       1.28948998       0.11272001       0.65624261      -0.35971002
Cl       0.42016000       3.78852004      10.04629995       0.68114729       0.27993446      -0.66808081
Cl       8.99721995      12.17899994       9.50327002       1.43734576       1.37267432       1.55947463
Cl       9.19462003       0.11439006       0.88602103       0.47240493       0.19377667      -0.59153241
Cl       8.98544004      10.87439997       4.24625002      -0.18461121       1.05647048       0.66431299
Cl       9.06057999       5.82239001       2.65199000      -0.39058493       0.55430127      -0.74481847
Cl      12.25399994       0.55465499      11.21770001       0.86448484       0.85011624       0.63053006
Cl       0.36209803       0.60617505       4.54797003       1.05881833      -0.84555446       3.27752699
Cl       9.19050005       7.53355996       5.96454002      -1.04668015      -0.43846615      -0.07211866
K        5.71604001       6.54070002       5.51128994      -0.02192939      -0.96159295       0.64409551
K        6.78522001      11.58870005      11.10610001      -0.05701345      -0.27922136       0.28577716
K        2.55210998      10.61790003       4.50025003      -0.47074187       0.40706984       0.04692300
K        4.56920005       2.68601006       9.37809994      -0.62467459      -0.18552616      -2.58249102
K        9.47395994       3.87041002       4.31672999       0.44974030      -0.78251041       1.19101559
K        1.33584006       6.18286004       4.56458006      -1.13096305       1.01455903      -0.70755464
K        9.28808005       8.88303005       9.13213999       0.91426472      -0.40626368       0.52408550
K        0.31444706       6.93157998      10.88400000      -0.48743294      -0.50467852       0.01635235
K        2.07344996       8.35985000       8.70466004      -0.34671889       0.36605602      -0.82068789
K        2.45141002       2.99748999       0.60765805      -0.87217492       0.60133116       0.13378213
K        7.35432005       0.47091995       2.88075006      -0.15837092      -0.46194502       0.49589028
K        1.45543997      10.62379996      12.41560002      -0.44798303       1.49865641      -1.02551137
K        4.54308994       1.91193999       5.11482001       0.44609619      -0.26289647      -0.79376829
K        9.10506999       0.06701472       6.88696997       0.17732346      -0.05510855      -1.02678320
K        7.84751004       2.48834003      12.56526609       0.02384637       0.44189942      -0.16637441
K        5.49206994       6.56580999      10.39180006       0.53230360       0.55657362       1.05997975
K        9.95515005       8.91214994       2.62143002      -0.47058475      -0.88076971       0.22151119
K       12.37380001       0.59653097       2.32408000      -1.71384871      -0.47513654      -4.78285870
K        6.72688999       9.92864997       5.85580001       2.36263741      -1.24363915      -0.12125912
K        1.75748999      11.77140003       8.23348996       0.51126731       0.34247634       0.10682691
Li       1.09767003       1.48332006       6.17640003      -2.84627673       0.51629137      -0.71828295
Li       5.00531004       0.44383101       0.28267706      -0.71581313      -0.29590443       0.00210086
Li       6.67915005       6.83018995       1.88809999       1.71823875       0.14851437       0.32946767
Li       5.14165995       9.35294997       1.68033005      -0.61153348      -1.23345828       0.55442961
Li       9.91956005       5.96924999       0.46724003       1.43738184      -2.43547753       0.75082953
Li      11.36270003       2.29053005      10.18709997       0.00204073       0.44143889       0.32325450
Li       2.56224006       7.97017994       0.97987404       0.10581430      -1.15473421      -0.38152081
Li       0.99874598       4.01512003       7.27198003       0.35010121      -0.12459908       1.09690690
Li      10.65799998      11.97780006      11.87419999      -0.46837776      -0.61537989       0.01884534
Li      11.16449995       8.22868004       6.23941996      -0.03887271       0.35633030      -0.69221698
60
Lattice="12.62016507 0.0 0.0 0.0 12.62016507 0.0 0.0 0.0 12.62016507" Properties=species:S:1:pos:R:3:forces:R:3 energy=-533.30613502 stress="-0.01505810903541553 -0.002644007885900116 0.0007730795181504624 -0.002644007885900116 -0.01881461130355798 -0.0010264742654769365 0.0007730795181504624 -0.0010264742654769365 -0.00807670421101179" free_energy=-533.30613502 pbc="T T T" config_type=melt 
Cl       1.57920997       9.74615999       5.41619006       0.13389744       0.07850349       0.02130943
Cl      12.14430004       0.60991201       7.00304999      -1.17988683      -0.83294765      -1.74562637
Cl       5.10647001       4.29965995       3.05855998       0.77681916      -2.38948654      -0.58646882
Cl       7.03536998      10.34040002       4.94634005       0.24865543      -1.76650848       0.03078387
Cl       5.38701994       7.99027995       2.83348994       0.47040035       2.42624965      -0.90757088
Cl       9.89880997      12.45890006      11.40989995       0.30751055       0.37079218      -1.15361891
Cl       7.49880996       3.87793000      10.35799998      -0.40766629      -0.57924372       0.46204828
Cl       5.69875997      12.23099994       7.51579001      -0.04134203      -0.11139512       0.82078798
Cl       1.34903002       1.21826000       9.55944995       0.44904337      -0.07176328       0.15602051
Cl       3.73083996       0.41571896       3.43052004       0.70813252      -0.03312486      -0.31976084
Cl       0.67752404       5.84236003       9.10984003      -0.05844831      -0.38466523      -0.54290705
Cl      10.39760004       7.74418004       3.80876001       0.07650951       0.48095940      -0.13522528
Cl       5.32849001       9.53646004      10.23300002       0.66852351      -0.74301162       0.20532336
Cl       2.72612994       2.96181001       6.30832000      -0.13612830      -0.37110746       0.00897629
Cl       1.30170995      10.89139996       0.15808902       1.53822792       1.83668884       0.66415216
Cl       9.30330994       5.61215005       1.06912006      -0.06610480      -0.29857856      -0.05990318
Cl      11.80049999       3.41072001       3.98519005      -0.43154424      -0.59122037      -0.79215013
Cl       2.31143005       7.29259999      12.23879996      -0.19405160      -0.08912982      -0.29390701
Cl       1.90405996       4.04048000       1.75405996      -0.57642348      -0.49702159       0.51074913
Cl       2.65010001       6.08236996       4.29963004       0.07750773       3.55567361       0.90355223
Cl       9.41382006       7.90523998       9.64740997       0.63585430       1.09053828       1.03187306
Cl       8.18798001       1.89741002       4.33715004       1.37116829       1.03129220      -0.48572610
Cl       7.98614003       7.40499998       6.34168999      -2.88163079       0.15611858      -0.83011077
Cl       8.94240994       9.74482995       0.82255699       0.59013168       0.51857307       0.64035603
Cl       5.46255995       0.59484000      11.85989995      -0.17893961       0.30848610       0.48863376
Cl      10.53759994      12.36590004       4.05626000       0.17063568      -1.01113367      -0.31212652
Cl       3.42221004       3.76876999      11.35519999       1.12679747      -1.06436719       0.19064510
Cl      11.62539999       3.22453004      12.56679994       0.08877492      -1.63864202      -1.20078367
Cl      10.18209999       3.93888994       7.60313998       1.68576278      -1.72720384      -1.39435803
Cl       5.06097999       6.80571996       8.23208004       0.59494339      -0.88386810      -0.27663496
K       10.28619995       7.10471994       7.02638998       3.43169018       0.47344289      -0.24471798
K        9.98988995       1.09244995       8.58339994      -0.59102138       0.04005603       0.87730518
K        3.95890994      10.69849998       1.68274997       0.17290685      -0.20727010      -0.46429548
K       11.12139995       5.00749005      10.56510004      -0.74207887       0.34514472       0.24066545
K        4.94278003       2.86948000       8.41353997      -0.00479266       0.05841003       0.47980128
K        8.70478006       5.59339005       8.66295002      -2.91197077       0.94852461       0.60786369
K        1.12248998       8.10327005       2.93289002      -0.25647755      -0.13038962      -0.19054883
K        5.81434996       6.53819000      11.04080000      -0.13702449       0.20657553       0.19733672
K        0.25935701       4.37376001       6.22979002      -0.07822062       0.98953645       0.91885215
K        1.43981002       1.53849997      12.32100002       0.09847536      -0.04804739       0.18845345
K        4.49397995       9.32927000       5.41201998      -0.54402682      -0.53163619       0.13223930
K        7.52615003      11.12819994      11.59530002      -0.95854794      -0.19734516      -0.69208701
K       11.98299994       9.34656997      12.46059999      -1.79083373      -1.54931106      -0.70651554
K        2.52553999       7.57812997       8.07575999      -0.42911082       1.04089776      -0.37422119
K        6.46804005       0.13957499       4.97187001      -1.87522253       1.68315322      -0.59798273
K        1.13055995       0.34433805       4.26395006      -0.61238577      -0.23999713       0.44616940
K        7.51612003       2.86600996       0.70849796      -0.09824830       0.11239508      -0.16597383
K        7.80323005       4.53245000       4.90140002       0.00380748       0.99903251      -0.05851581
K        3.86500001      11.69870006       9.86270999      -0.90048222       0.85177494      -0.03178175
K       10.90189994       0.32014797       1.18917998       0.31583624       0.08689986       0.73867363
Li       3.64944002       3.06648002       0.98928994       0.58731272       0.42689551       0.18888140
Li       8.90328995      10.14089995       4.12843006       1.71514719      -0.49329770      -0.71460663
Li      11.34559995       3.96998994       1.73405006      -0.17271240       1.26918496       1.80253191
Li       2.51704005       4.22963999       4.33007001       0.36059538      -3.37937057      -0.88180067
Li       8.72247997       7.80038003       1.43923000       0.17299331      -1.16111345       0.77499798
Li       2.35669997       5.25378999      10.49969995      -0.72766176       1.32403834       0.29084479
Li       0.99418001       1.77630994       7.53686998       1.76530004       0.84730980       0.53738667
Li       5.03865997       6.20949995       3.44970004      -1.06049517      -0.25188420       0.94009085
Li      10.71830001       1.68449004       5.08611999      -0.34284449       0.09787360       0.05358266
Li       6.94462999      10.31920004       7.16883997       0.04296380      -0.38093958       0.60903830
60
Lattice="12.62016507 0.0 0.0 0.0 12.62016507 0.0 0.0 0.0 12.62016507" Properties=species:S:1:pos:R:3:forces:R:3 energy=-535.63225478 stress="-0.007768858675384312 0.0021956971686701073 0.002559247143397088 0.0021956971686701073 -0.006248837937106416 0.0005183656965268333 0.002559247143397088 0.0005183656965268333 -0.006824738769774464" free_energy=-535.63225478 pbc="T T T" config_type=melt 
Cl       5.17656998       9.25927995       4.60010002      -0.09889508       0.37683819      -1.25892590
Cl      11.02120000       4.33061999      10.58569994       0.42901186       0.03422211       0.28500240
Cl       4.78417005       7.75766002       7.75270004      -0.82371961       0.46421625       0.06727168
Cl      11.10790003      10.29899995       7.65096006      -1.67952983       0.32893124      -0.64803425
Cl       5.47643999      10.82090006       1.61261996      -0.33123579       0.34989795      -0.11527339
Cl       8.24142994      11.86149993       9.98069995       0.60492531      -1.02249191       0.12438831
Cl       3.35209000       4.08081998      11.48730005      -0.91010901      -0.22424635       0.07738525
Cl      11.76609994      12.55960001       5.53783003       0.67950002       1.93569890       0.52755681
Cl       7.57728000       2.15266005      10.35740001      -0.66440188       1.32201712      -0.20475758
Cl      12.09449998       9.91056994      10.93360003       0.21577215      -0.90802950       1.33435943
Cl       9.48204997       2.61403006       6.75199995       0.56664712      -1.74961490       1.42551428
Cl       4.59768994       3.91567994       7.62033003      -0.04395191       1.66223004      -0.62580709
Cl       1.36230997      12.12030002       9.06540998       0.17316112       0.15716817       0.06657092
Cl       0.81800894       3.04873001       6.50110994       0.44872647       0.00165868       0.57402379
Cl       0.71319304      12.10780000       1.02922002      -0.42081415       0.08166127      -0.35333254
Cl       3.69229002       9.13431003      11.63600005      -0.31997448       0.13469188       0.17714752
Cl       8.50440995      10.88940004       4.94497998      -0.70379835      -0.46951187       0.10802554
Cl       1.70023003       4.51969997       2.93758005       0.29223189       0.20033088      -0.10165591
Cl       7.87206005       5.25542001       8.85845997       0.35956575       0.19757391      -0.66839736
Cl       6.46100002       4.18329004       0.93145804      -1.91600252      -0.97965833       1.70022491
Cl       0.75582106       8.44415005       1.71391004       0.00624662      -0.03268560       0.34855019
Cl       8.81580003       9.28888004       2.37212005      -0.39726342      -0.63443792      -0.32738228
Cl      10.61279997       5.04238001       2.92984994       0.04335920       0.14341879      -0.30212997
Cl       5.81848003       1.28897002       7.09843005      -0.17221724      -1.84003836      -1.05466821
Cl       7.23006998       7.98412005      11.16339998       0.47517804       0.12514203       0.68978919
Cl      10.31749997       1.08920997       2.10848997      -0.13848681      -0.23232902      -0.15150419
Cl       1.67904002       9.45625006       6.20755997      -0.40940197       0.33777353      -0.21659970
Cl       7.44549998       7.06449001       5.59676998       0.70868463       0.11702154      -0.58286510
Cl      11.67749995       5.86204005       7.06105997      -0.01021322       1.12856835      -0.05995744
Cl       3.84700997       0.63347701       3.25036996      -1.14370276      -0.04714400      -0.34022898
K        3.78174996       7.60368000       2.27313997      -0.06648696       0.22018165      -0.60027974
K        2.38040998       5.28151006       8.89130004      -0.29072955       0.29029986      -0.19602849
K       12.04879997       2.55226003       4.07809995      -0.39521991       0.19284114      -0.40044620
K        6.42979994      12.50299996       3.87151000       0.28736813       0.12064847       0.16356499
K       12.04840004      10.47689998       4.14956997       0.60634387      -1.23641339      -1.73262865
K        8.33584998       0.82621596      12.56740003      -0.24195935      -0.14119806       0.51880424
K       10.37720004      10.29680000       0.30290201      -0.16704315       0.50042595       0.45629791
K        5.91757003       5.09841001      10.83939996      -0.34414319       0.27870681      -0.19769410
K        8.57695003       4.18716001       5.00770005      -0.71463811       1.67705205      -1.50690893
K       12.32269995       5.86179004       0.31387095       0.04967639       0.17655155       0.46099239
K        4.04644997       2.00734995       9.41662993      -0.13007025      -0.93876730       0.62046783
K        9.91289004       7.54416999       9.45539000      -0.23341055      -0.25032334      -0.09918338
K        2.15393998       0.35095998       5.88123999      -0.09407143      -0.16218052       0.45530826
K        4.16671005       3.25703000       4.20030997       0.05055959       0.55418981       0.33033341
K       11.06589999       0.69377300       9.64677000      -0.18474581      -0.00441676      -0.29100440
K       10.28440006       8.66196993       5.73425999      -0.82117215      -1.71635255      -0.55898988
K        1.23504999       2.66899997       0.59515096       0.00979622      -0.23662730      -0.02290527
K        8.47392001       5.10006994      12.44570000       2.32464925       0.80035993      -0.93533857
K        5.89509996      10.59490004       8.52366996       0.21523177      -0.11968879       0.36122033
K        1.23005998       6.87365998       5.01712996      -0.40627455      -0.77598258      -0.19371771
Li       2.75502999      11.91159997       1.20114996       1.51174585      -0.18240430       0.71355982
Li      12.45185611      10.14390001       9.03994994       2.27338290       0.61779852      -0.79752580
Li       1.73174006      10.11839996      11.74389994      -0.37844900      -0.11359969      -0.04442785
Li       7.20803000       2.46216997       8.18999999       0.77668633       0.68076620       0.24647537
Li       7.14164995       9.25526005       4.00619000       1.20524037      -0.46963196      -0.00919113
Li       6.45702000       6.38920996       7.43543994       0.07962169      -0.38455902       0.25948909
Li       3.79554998       9.19363995       5.96461006      -0.78548370      -0.54486446       1.80187638
Li       9.82229000      11.96040000       6.00014996       0.28924110       0.88644259       1.32922913
Li      11.29589998       3.72918003       7.38066994       0.29865061       0.00522979       0.21341870
Li       6.95747000       9.50169994       0.92992103       0.45641144      -0.68335739      -0.83905810
60
Lattice="12.62016507 0.0 0.0 0.0 12.62016507 0.0 0.0 0.0 12.62016507" Properties=species:S:1:pos:R:3:forces:R:3 energy=-535.71809435 stress="-0.014775351170821429 0.0010757983967706142 0.0008004418572526958 0.0010757983967706142 -0.00987386004428208 0.003486080265739451 0.0008004418572526958 0.003486080265739451 -0.012487094662516249" free_energy=-535.71809435 pbc="T T T" config_type=melt 
Cl       1.12328997      10.87129995       9.39382000      -0.76794775       0.02494511       0.26479843
Cl      12.03750000       1.88517994      12.37350003       1.94811831       0.86098312      -1.80690822
Cl       6.27477005       7.68585002      10.72790004      -0.66694252       0.04592669       0.11879140
Cl      10.76220001       8.13798005       0.27659401      -0.21078438      -1.47314781       0.89647168
Cl      10.97050000      12.12000004       1.86745000       0.27184449      -1.62006978       0.60928570
Cl       5.13467999      10.81340002      11.91609994       0.00469143       0.02079928       0.56080786
Cl       9.45127002       5.69438002       6.70804998       0.74620305      -0.41906244      -0.00111689
Cl       5.63306002       4.48157004       8.06986006       1.40321522       0.77671922       0.06669152
Cl      11.29379998       2.01017005       6.83348003      -0.04021108       0.35416752      -0.01786328
Cl       8.35405999       0.63068795      12.31760002       0.68970328      -0.05189107      -0.61083187
Cl       8.19117001       5.19424994       0.78784195       1.04763793       0.88559653       0.79137678
Cl      10.89429995       4.91023994      10.86529995      -2.20577051       0.99420390       0.27786380
Cl       9.31554998       9.20828994       8.55274001       0.37472516      -0.19304299       0.57949933
Cl       5.44856003       4.28176001      11.38040006      -1.02197327       0.39103122      -0.99235090
Cl      10.85000001       9.13620002       4.30311005      -1.09313448      -0.10302713      -4.40148778
Cl       7.06919998      12.59099999       2.99036995       0.77472741      -1.15161812       1.34820310
Cl       5.71016999       8.25328999       3.94596001       0.07478924       0.58212957      -0.48175047
Cl       0.72931694       7.95109004       7.59814000       1.38928494      -0.09116097      -0.55551507
Cl       1.82509003       9.43512996       1.75262000      -0.73822352      -0.53442979      -0.08825465
Cl       1.66305999       6.00131000       3.12490999       0.04492895      -1.53527638       0.91299189
Cl       2.30246002       4.82946003       7.90723005      -0.43349379       0.43493290      -0.51876468
Cl       5.87686003       0.38365706       8.01486996       0.52714348       0.17656309       0.33491556
Cl       3.40523995       0.53793996       3.83895994       0.80617640       0.88946454       0.71395699
Cl      10.60950005       2.83485001       3.20155995       0.53194456       0.76893905      -0.12619195
Cl       2.07493005       6.52711000      12.23089999      -0.03778193      -0.58881065      -0.88891521
Cl       5.61692994       2.15333005       1.51846003      -0.27376602       0.87703151      -0.57480357
Cl       3.88444996      10.01119999       7.24694995       4.44051218      -0.86056877       1.42744186
Cl       0.98026905      11.15239999       4.83069996      -0.20951191      -0.12345081       0.28428787
Cl       5.11966994       4.18305000       4.60119999      -0.53518806       0.16271653       0.42235162
Cl       3.54611999       2.57539002       9.53558004      -2.16661841      -1.09040641       0.40815204
K        3.76498003      11.38390001       2.01044997       0.52805942      -0.51090926      -0.83386959
K        3.26031995      12.41530004      10.40200006       0.26587765       0.32725863      -0.30598298
K        9.89887004       0.76131701       9.46739998      -0.05869982       0.17222298       0.05839135
K        4.29091998       7.93859999       0.82280801       0.68112297      -0.03893518       0.05769333
K        1.22253003       1.86480001       4.45732001      -1.08584284       0.11104951       0.59306197
K       11.13410000       4.71129995       0.98284205      -0.04920260       0.38955183       0.27815381
K        3.00021002       7.70040006       4.94237997      -0.16667465       0.07025757       0.45476901
K        8.78608005       9.89875002       2.00582998      -0.07981713      -0.28478041       0.10842907
K       11.13889995       9.21045998       6.63129994       0.97813918       0.59565864       2.62412873
K       11.53429994       7.25917006       9.47151995      -0.43678554       0.14920442       0.48627629
K        7.76821994       3.88002003       3.61363005      -0.12206640      -0.08853413      -0.46457448
K        6.87565006       6.49562004       5.91645997      -0.53770555       0.02322288       0.15676816
K        7.87757001       5.52705998       9.89451003       0.37100662      -0.03440929       0.09330005
K        2.94158998       3.43103002       1.51569003       0.41046710       0.22267941      -0.00233222
K        0.10340294       3.62778003       9.84289999       2.36472316      -1.53416058      -1.23303437
K        7.14314001      10.14849994       9.66164993      -1.39617386       0.89376019       0.43233095
K        3.04633003       8.64292005       9.95470001       0.05840128      -0.15736706      -0.20590566
K        9.52981994       0.61063905       4.25922002       0.22069286      -0.78533100       0.78588362
K        5.77500003      11.57940000       5.27534006      -0.60668836      -0.13968069       0.61731559
K       11.29119998      10.26889997      11.64529997       0.72058454       1.73186336      -0.86907740
Li      10.69039998       1.32255998       0.99435303      -2.07099408       0.19614991       0.96578823
Li       4.12346995       3.56667004       6.92214994      -0.54342464      -0.09178293      -0.56016948
Li       6.63195997       0.25405806       1.04434996      -0.29074968       0.34916088      -1.48264066
Li       5.53130994       2.69958998       9.47465001       1.41358331      -0.34148381      -0.02903610
Li       2.23137000      10.23720001       6.59007995      -4.73725543       0.84677586      -1.24469440
Li      11.15929994       4.28675003       5.92396000      -0.38581785      -0.20937987       0.25263940
Li       6.83836996       3.91913005       0.11370605      -0.23172705      -1.68734552       0.96090648
Li      12.18280000      10.40189998       2.95959996       0.61995765      -0.10781430       0.28537350
Li       3.87710994       4.85091999       9.63577001       0.03503380      -0.06982559      -0.02524702
Li       1.05310999       6.90550003       1.46222003      -0.54232243       1.59273688      -0.90777806
60
Lattice="12.62016507 0.0 0.0 0.0 12.62016507 0.0 0.0 0.0 12.62016507" Properties=species:S:1:pos:R:3:forces:R:3 energy=-535.8515398 stress="-0.009477716921382755 -0.0031102152005637357 0.0009783985421140907 -0.0031102152005637357 -0.012640046388823201 0.0007328678903164282 0.0009783985421140907 0.0007328678903164282 -0.00736033556906587" free_energy=-535.8515398 pbc="T T T" config_type=melt 
Cl       4.55318998       8.58434999       5.03643995      -1.32541937      -1.16995612       0.25129598
Cl       4.09848998      11.95609993       1.81167000       0.06196578      -1.10468441      -0.20965799
Cl       1.94698000       9.72027994      10.88879995      -0.46435029       1.21122579       0.00239265
Cl       2.51564994       5.62300996      11.40550005       0.39538649       1.53572669      -0.51879101
Cl       0.21461903       4.94880994       7.55145005      -0.21537551      -0.14075465       0.05280392
Cl       6.14792995       9.74788996       8.10815999      -0.01721270       0.73949855       0.45194446
Cl       0.01453490       8.97584000       1.93686999      -0.12980350      -1.53601172       2.53802623
Cl       1.79324002       7.95059003       7.42912999       0.05002127       0.59063237      -0.27075893
Cl       8.48937996       0.25514402       0.23661396      -0.33807229       0.21674274      -0.97159045
Cl       4.13109001       4.51205001       5.01590997       0.48063882       0.58432955      -0.66217067
Cl       1.90302006       0.63198102       9.49660998       0.31551311       0.05531286      -0.17171595
Cl       9.68340003       1.40367004       6.83434994      -0.27988720       0.25094762      -0.12749631
Cl       4.99714000       5.59054004       7.89921006       0.13766519      -0.49576482       1.88639839
Cl       5.23512994       2.27668005      10.42459999      -0.50037701      -1.90759647       0.10859333
Cl      10.50500004       3.22995999       2.69535996      -0.17642974      -0.84157548       0.31863308
Cl      11.49189998       3.39904004      10.36169996      -0.50393125      -0.44190074       0.47222720
Cl       7.29965997       4.40405004      11.71559997       0.27535760       0.16943950      -0.16389400
Cl       0.68681096       1.34018000       0.90805899       0.49695207      -0.44413041      -0.11910592
Cl      10.22700001      11.15420001       1.90916999       0.16659759      -1.00603701       0.61446034
Cl      11.27770006       6.99683002       3.82155005      -1.14958267      -0.41268187       0.67792338
Cl       8.84335995       5.48897005       6.38176999      -0.09822764       0.48970102      -0.11382282
Cl       6.51740004       2.32518995       2.69036994       0.00671705       0.28538307      -0.23420165
Cl       8.75835001       9.91323999       5.45919996       0.58161345      -1.69259875      -2.14340061
Cl       2.15423000       4.58785997       2.24755006       0.13781734      -0.73578613      -0.83444737
Cl       4.95992995       0.80843604       5.85331005       1.64612432       1.42789506      -0.23402355
Cl      10.14319997      10.77990005       8.02644000       0.60134346      -0.51463673       1.58379473
Cl       1.59683996      12.48339996       5.71993005      -1.34276096       0.28769673      -0.52064466
Cl       5.92837996       8.29110001      11.90890001       0.41346045      -0.51947219       1.08394306
Cl      10.03650001       7.46573995      10.50920003       0.36470288      -0.43255462      -0.38594926
Cl       7.72791000       7.16857002       2.50866001      -0.26792248       0.55062224      -0.04390123
K        6.71269003       3.41823001       6.20142998      -0.14436878      -0.61577423      -0.24308863
K        9.74850002       5.40412998       1.45617005      -0.57762331       0.91061280      -1.22475256
K        0.29881598      10.89460006       0.42792897       0.17894289       3.20977816      -1.66400026
K        2.50953005       2.95214006       6.54422004      -0.30656738      -0.71693039       0.57624173
K        4.00332005       8.23750002      10.24069996      -0.41505757      -1.07149003      -1.95394876
K        6.47917003       9.84685994       3.86542998       0.49225196       1.09380848      -1.16540068
K        3.57419998       1.85891006       2.79900003      -0.23073653       0.58930148       0.17804309
K        1.66831994       3.12045003      11.04360004       0.08843447      -1.20422833       0.28369228
K        1.57967994      10.10269997       3.99033996       0.53382635       0.44598964       0.42600993
K        9.25183998       1.18963002      10.05290004      -0.01181275       0.33752305      -0.10306689
K        7.41982994       7.25302997       8.40210004       0.48160836      -0.04269866       0.51488282
K        8.83604997       0.82275601       3.30736994       0.21683189      -0.45814091       0.17669365
K       11.00700004       3.72243998       5.29441998       0.34325022       0.16669663       0.99948946
K        1.49098997       6.73943999       3.50960998       0.09375118       0.59531295       1.03770746
K       12.25280002      12.53790002       7.94934998       0.23680500       0.35486357      -0.12261655
K        7.75514002      10.09240002      11.54109994       1.38787202       0.80266990      -0.14382711
K        4.69521000       6.95361996       1.47109996       0.03308924      -0.72589718       0.15136282
K        4.32611005      11.67570006      10.49380002      -0.29472832       0.48835873       0.01949111
K       11.36929999       7.91052000       7.16937998      -0.06993091       0.16728508       0.01360320
K        0.61797503       7.88702996      12.32730000      -0.15292964      -2.01891871      -1.60342226
Li       1.97467004       6.10258998       8.47199998       0.01709045      -0.27994933       0.29168504
Li       8.47514997       6.85301996       4.48025994       0.60957317      -0.02812903       0.64727677
Li      11.57620003       2.47264004       1.08197004       0.15571177      -0.23586906      -0.61875022
Li      10.26300004       8.88715003       2.78063000       0.14458291       0.55018504       0.01512489
Li       3.52961004      12.17839998       6.16423003      -0.13321028      -1.48249949       0.78529200
Li       4.89806994       6.40242996       6.01462996      -0.66035836       0.68919360      -1.22423029
Li       8.35725996      11.00769996       7.03872998      -1.24126583       0.91229994       1.08980406
Li      10.94660006       5.29541003       9.52962004      -0.09440298       0.42073751       0.03427677
Li       6.85410996       1.65139996       0.41113305      -0.48257348       0.86730612       0.15936190
Li       5.66279995       4.15002000       9.85669004       0.47941997       1.27959099       0.35020086
60
Lattice="12.62016507 0.0 0.0 0.0 12.62016507 0.0 0.0 0.0 12.62016507" Properties=species:S:1:pos:R:3:forces:R:3 energy=-538.29839043 stress="-0.005107636382756534 0.0015132841401651292 0.001631281992303055 0.0015132841401651292 -0.017058055157710115 -0.003988154974330781 0.001631281992303055 -0.003988154974330781 -0.005125711624664346" free_energy=-538.29839043 pbc="T T T" config_type=melt 
Cl       4.62780002       8.25622002      11.79109998      -0.40157921       0.10840796      -0.30418078
Cl       3.54909002       5.58004006       9.17006005      -0.13083783      -0.00891435      -0.12698377
Cl       4.64964994      10.46080006       7.67779002      -0.09285308       0.15440479       0.24988455
Cl       4.61199995       0.99660194       3.96128001       0.17784856      -0.57205775       0.07134787
Cl       8.12466994       8.22058004       0.60852694      -0.21265583      -0.25548871      -0.20560435
Cl       6.57314003       4.07547004       1.66277994       1.28150682       1.31367939       0.11688298
Cl      12.12760003      12.09789998       4.86976001       0.22189489       0.88422396      -0.05001684
Cl      11.77480003       8.75273000       6.30022000       0.50124888       0.65454122       0.32446800
Cl      11.55099996       8.58737996       2.45712999       0.21529773       0.58385989      -0.15980147
Cl       3.76252995       4.12181999       4.92664994       0.36203935      -0.23106298       0.29676998
Cl       4.94660003       1.66868997       8.09854999      -0.01523116       0.34767047      -0.26345464
Cl       6.02064006      10.65690000       1.59049000      -1.41200021       0.95021833       1.41027651
Cl       2.72194004       8.18169996       4.92705000       0.52880141       0.04491087      -0.44723992
Cl       0.32483497       0.78834196       8.74730005       0.19633467       0.17716213      -0.24463218
Cl      12.50062712       9.28205998      11.52630002      -0.37302572      -1.52782893      -0.61025127
Cl       5.01698004       1.59001005       0.40242097      -0.92422419      -0.44823134      -0.53480413
Cl       7.45230995       7.33588994       9.08455995      -0.27650650       0.14396140       0.17465867
Cl      10.79400005       2.49211005       0.01764564       1.91554198      -3.37485730      -1.87133158
Cl      10.88589997       5.01892001       7.45443001       0.26367243      -1.01183282       0.76587185
Cl       9.85000994      12.10549997       1.18018004      -0.51255386      -0.72559131      -0.02559231
Cl       7.32037004       6.09477999       5.26263004       0.15768172      -0.46708324       0.03589580
Cl      10.52269995       5.66022998      12.28780002       0.40126262      -0.42997641       0.21022199
Cl       9.90480997       2.32906005       3.21508006      -1.53391226       1.13148896       0.42789829
Cl       0.73247198      11.57300006       0.79384195       1.14569900       1.16253893       0.52511320
Cl       2.77760999       4.63741002       0.38339796       0.34865408       0.57145623      -0.17282928
Cl       6.77607998      11.38750004      10.66500000      -0.31854598      -0.02604595      -0.29569790
Cl      11.97310005       4.58038997       4.01873003       0.57812396       0.43929635      -0.36552314
Cl       8.87012000       9.59341005       5.22955006      -0.73000647       0.56426552      -0.23969466
Cl       7.48831995       3.70673002      10.73069995      -0.53395273       1.85953142      -1.42182155
Cl       9.38315003       0.70965005       8.12336994      -0.55081660       1.08228149       0.20720099
K        5.00743995       6.53366996       6.93838995      -0.22091010       0.13385498      -0.65503623
K        4.53481994       3.60395000      10.92990005       0.16452176      -0.55549686      -0.40651967
K        9.50303995       7.16988996       6.91155001      -1.20281275       1.01761703      -0.53728080
K        0.33869999       6.42822003       6.07992000       1.21085073      -0.81355293      -0.38434329
K       10.69690000      10.86419997       7.67473001      -0.16692565       0.64579955       0.19368030
K        3.07931005       9.26199997       1.47347999      -0.50917832       0.40062831       0.39902028
K        8.44873003       1.51657003      11.23230002       0.80636011      -3.28734450       0.46622419
K        1.91193002       6.77562995      11.10149996      -0.37659400       0.36088250       0.12991547
K       10.81139998       3.56100005       9.88412994       0.16898464      -0.29281573       0.20131576
K        2.35445005      12.56498352       6.25250000      -0.28100371       0.01851049       0.00604514
K        9.70560004       6.38567000       2.58622998      -0.22098156       0.12400176       0.54492004
K        1.85053998       2.09573995       0.47712301      -0.61619318      -1.21713934       0.19410939
K        5.42901997      10.25249994       4.54197999       0.21463287      -0.10224758       0.38666460
K       10.85630000       2.55344002       5.96497996       0.36592118      -0.58485329      -0.12589948
K        6.48434001       5.88060002      12.02299993       0.05787767       1.13574733       0.25208704
K        9.96610006       7.87185005      11.03819999      -0.41809611       1.02973689      -0.74286526
K        2.43187994       5.70511006       2.92744997      -0.55773066       0.41083467       0.94480102
K        7.56993001       3.51200996       7.60028997       0.14176869       0.16558333       0.06945211
K        7.31051003       1.38654005       2.11129001       0.42077915      -0.78050931       0.37589250
K        1.16554998      11.39049998      10.53090002       0.56138048       0.54415697      -0.25519305
Li      10.18109997       3.96678000       0.90118895      -1.11454247       2.14494777       2.18456584
Li       5.14551995      12.44869994       9.29165004       0.54961913      -0.70874371      -0.15207103
Li      11.00760000      10.25949997       4.70654000      -0.13643397      -0.90007874      -0.70126594
Li       5.87670001       9.02448998       9.01095006       0.22434468       0.28007653       0.37622312
Li       7.99549006      10.12160005       1.60396998       1.68162807       0.17717665       0.30055913
Li       5.97944999      10.00209996      12.27530000       0.30871902      -0.47349197      -1.10882700
Li       4.78270005       3.22296994       2.03657005      -1.03524985      -0.59683288       0.44812024
Li      11.17759994       0.91896206       2.62745994       0.75101198      -1.57406200      -0.51653857
Li      11.53899995      10.39879996       0.60825006      -0.43001853      -0.26230827       0.84558083
Li       5.06027995       2.15917003       5.78541003      -0.61863578       0.46499410      -0.21036761
60
Lattice="12.62016507 0.0 0.0 0.0 12.62016507 0.0 0.0 0.0 12.62016507" Properties=species:S:1:pos:R:3:forces:R:3 energy=-531.23984839 stress="-0.01778657772185612 -8.105195664080933e-05 -0.0025505780117797113 -8.105195664080933e-05 -0.013087046233099048 -0.0021870573721456217 -0.0025505780117797113 -0.0021870573721456217 -0.012049447763356104" free_energy=-531.23984839 pbc="T T T" config_type=melt 
Cl       4.19237997       0.31111294       3.27760995      -0.55673092      -0.48567138      -0.34912901
Cl       9.84819995       2.85330006       8.19495997      -0.13487735      -0.03523721      -0.60071265
Cl       6.61767003       3.27557003      10.55089996      -0.35868782      -0.16705738      -0.25009428
Cl       2.92269002       5.46629994       7.97285996       0.05865460      -0.32916631       0.57970606
Cl       8.68192999       6.39968003      10.43190000       3.35247870       0.99449844      -2.51991835
Cl      10.44940001       8.95212999      10.34040002      -0.74812584       1.23876487       0.64309398
Cl       1.96276001       9.83650005       8.81896996      -0.03762188      -0.13449020       1.76273238
Cl       0.75320199       4.69365002       5.51182996       0.29147477      -0.41046273       0.09551658
Cl       1.08147003       2.77643998       1.31393006      -2.15206073       2.19641859      -3.83577580
Cl       4.82026006      12.29560004       0.07693492      -0.72645751      -0.22060829      -0.83490919
Cl       6.50755998       7.24475001       1.87529999       0.34335221       0.34483095      -0.33634687
Cl       0.59629800       1.29362005       6.38865997      -1.02966912       0.12852144      -0.97950824
Cl      11.84389998       0.11583494      11.67630002      -1.10714160      -0.03696476      -0.06342197
Cl       0.46226201       3.94382998      10.12630006       0.12031079       0.41374769      -0.45916428
Cl       5.17307999      10.72610003       8.36678995       2.63976702       2.53290010       0.57256166
Cl       8.60159999       5.80909997       5.01334000      -3.05127439      -0.37466623       2.23590784
Cl       8.96076004      12.04350000       6.48786999      -1.63255618       1.81106667       1.54924610
Cl      10.92450000       4.75103000       2.25733006      -1.27593724      -0.56271364       1.58753417
Cl      11.48229994       9.76817006       6.80830999       0.43223684      -1.64930041       0.23155305
Cl       0.87812800       7.11463005       0.00642594      -1.04168007      -0.84848513       0.61481848
Cl       1.69127994      10.51039995       0.78623704       1.88727188      -0.64555330       0.25195901
Cl       7.98514001       3.97275994       1.19013003       0.28031616       0.44444981       0.03830182
Cl       4.86888997       3.65195004       4.80067003       1.18553077      -2.06332899      -0.10772869
Cl       8.06308000      12.50940003      10.87590000       0.03932214       0.04827066      -0.21510698
Cl       2.65399005       1.07483005       8.64982997       1.89717065      -1.11161013       1.74644551
Cl       8.67920996      11.62450005       2.34678002       0.11877680       0.62634516      -0.71019235
Cl      10.80259994       7.81015006       2.95827005      -0.12368776       0.61876751       0.32533387
Cl      12.44968002      10.89200005       3.52459996      -0.23805325       2.12501705       0.77046792
Cl       5.50761003       6.77876997      10.41519999      -0.46058503       0.53120463       0.15390064
Cl       2.53622006       8.80347997       5.96525003       1.44603908      -0.83644038       0.35608564
K        3.49609997       5.71256997       5.16015000      -1.12598580       2.18708001       0.00779224
K        6.15580998       4.24600002       7.50089001       0.21122629       0.29604746       0.40485499
K        8.28685004       8.87817999       7.62806998       0.26959194       0.00520929       0.57481336
K        1.74485001       0.50006899       0.01953488       0.62799511       0.12825522      -0.92412993
K       11.01820006       6.08918005       5.29147999       2.14894547       0.59642406       0.12978477
K        5.91400004       9.79782997      12.24570004       0.74107765      -0.81961693      -0.17957770
K        9.37542005       7.74315995       0.48183904      -0.17655739      -0.20288228      -0.41436949
K       10.28730004       3.44611995      10.91389995      -0.35268872       0.05219196       0.34375893
K        3.89232002       4.40117000      11.13749999      -0.45885215      -0.00159264      -0.27872793
K       11.69339997       9.97619001       1.11014998      -0.77861456      -0.29680841      -1.00047154
K        1.91789999      11.42600000       6.64147999      -0.08565444       0.63021426      -0.70518161
K        2.84506995       8.09765004      11.15760001       0.58094394       0.50691366      -0.36114494
K       12.56998136       7.89626994       9.20247002       0.40298106      -0.58710655      -0.33310865
K        2.03650998       2.15234997       3.31876002       1.57526462      -0.81516587       4.81335931
K       11.30089996      12.00909996       8.22171005       0.63185882       0.80618531       1.14039416
K        9.89002999      10.48679999       4.76815998       0.43516900      -1.57345384      -2.36765920
K       10.40219996       1.58388006       3.26713004       0.22001239       0.18758678      -0.03644732
K        6.13564005       0.92419703       4.92151000       0.97354654       0.11291567       0.69194333
K        6.31076996       1.86047004       0.69414202       0.35227980       0.17205842      -0.01203827
K        1.26656999       8.72230997       3.67202999      -0.16965481      -1.16553300      -1.19005206
Li       4.92604998       0.13083489       9.61240996      -0.34708202      -0.05355298       0.01942185
Li       2.01794004       2.52574002       7.42510996      -0.29144802       1.18253946      -0.58682627
Li       3.75394004      11.38559995       1.81897998      -0.54161564      -0.28022363      -0.17936719
Li       7.43202998       5.69720996      11.51760006      -3.51782887      -2.09756186       2.45852987
Li       8.62631999       5.84169003       3.06241998      -0.21706925      -0.10401215      -2.44678504
Li       3.96343995       9.34046005       8.05815006      -2.34210236      -2.51987607      -0.92224900
Li       0.52929995       4.83072003       7.81158005       0.51858182      -0.35397453       0.36606124
Li      12.19597406       4.80790997       0.79938599       2.09186574       0.26631045      -1.38700254
Li       9.75584003      12.48439998      12.44980004      -0.33546584      -0.22155338      -0.21998840
Li       8.86811995       0.95917798       8.23139994      -0.45827604      -0.18006501       0.34125697
60
Lattice="12.62016507 0.0 0.0 0.0 12.62016507 0.0 0.0 0.0 12.62016507" Properties=species:S:1:pos:R:3:forces:R:3 energy=-536.23107156 stress="-0.007103044996573202 0.0010656896298658063 -0.0005879647772725757 0.0010656896298658063 -0.0038957752528453325 0.0010737276450464108 -0.0005879647772725757 0.0010737276450464108 -0.001813266216897727" free_energy=-536.23107156 pbc="T T T" config_type=melt 
Cl       8.96744002       0.10171601       3.93560996      -0.12657490       0.42309287       0.08756432
Cl       2.81957999       8.33044994       8.91117996       0.60445473      -0.58776411       0.09233497
Cl       8.23732006       5.11103005       3.79658004      -0.63550328       0.22791972      -0.06035664
Cl       0.61268201       5.71351004       5.47997995       0.02985936      -0.64603087      -0.47870688
Cl       8.11327002       2.05051003       9.95754005      -0.02900025      -0.01964776      -0.01903605
Cl       6.24332994       4.87134005       8.17232002      -0.63050776       1.27775634      -0.46957869
Cl       8.97936002       5.96325995      10.89499999       1.09835352       0.84620023       0.05786606
Cl      10.92219998       1.53927005       0.62893602       0.04607658      -0.60628156      -0.19971295
Cl      10.37520000      12.14319994       9.18192995       0.79784930      -0.14323709       0.02640343
Cl       1.70975005       2.83973995       0.25730295       0.50551714      -1.15494300       0.10024517
Cl       6.45321994      12.53370003       6.61393005      -0.08468459      -0.12683203      -0.31050560
Cl       2.73786000       0.60519901       8.86068996       0.78249626      -1.09389595       1.14000107
Cl      10.50900000       9.08055999       3.42636005      -0.64602146       0.11379116       0.40058311
Cl      12.09760000       8.05375004       7.44009994      -2.05489389       0.45945762       1.81166686
Cl       0.65532100       2.98163995       8.39968997       0.19720727      -0.60712054       1.28647010
Cl      12.16069994       1.68408998       4.61882001       0.07318659       0.41970911       0.46265795
Cl      11.32250000       9.93465995      12.05669994       0.10786223      -0.10870377       0.10678896
Cl      10.01950002       4.35403002       7.27901994       0.22559757       0.40581426      -0.09885162
Cl       2.55200006       5.92659005       1.78745998      -0.99122992       0.19085768       1.21698056
Cl       2.20049994       8.70689999       5.37124006       1.50503360       1.31568877      -0.55368856
Cl       8.25253998       7.83704994       7.22507000      -1.14887049       0.10525652      -0.54771192
Cl       1.64822006      12.14270005       3.20863999       0.55825413      -0.35853349       0.31201801
Cl      11.40019996       5.24714005       1.38912996       0.41015670      -0.16395259       0.59955588
Cl       7.25889999      10.22770005       9.52774001      -0.50000495      -0.16150490       0.08660851
Cl       2.36587004       9.88152994       0.50342697       0.04173736       0.34065523      -0.17046835
Cl       6.13897998      11.68590006       1.49669996       0.34090565       0.14028591       0.28835328
Cl       2.99703996       3.28205995       5.67662004       0.88418866      -0.45112360       0.26920601
Cl       5.40836000       3.65410999      11.39079996       0.07340346      -0.74099102      -0.98900135
Cl       5.87509005       8.89571003       5.45570998      -2.36907512      -1.35474105       0.94908955
Cl       6.09000995       8.07253995       0.67175195       1.07100255      -0.07153626       0.70939157
K        3.15007006       4.43885999       8.62364994      -0.01958411       0.08402692       0.36994083
K        9.95679004       2.86599999       3.16230998       0.11170785      -0.00147918      -0.32302904
K        4.99093997       0.88494705      12.39030000      -0.26915336       0.62948573      -0.72461007
K        8.70442001      11.04349996      12.07950003      -0.21220013       0.34320541      -0.17178109
K       10.77160002       2.80538003      10.63289998       0.08950827       0.59888017      -0.00767027
K        4.39761994       6.02091997       5.31406996      -0.05361158       0.15322446      -0.47561480
K        4.32700002      10.42710005       3.31750002      -0.81429886      -0.67585287      -0.38771312
K        9.19384995       7.05709005       0.88611404      -0.09202575       0.23195385       0.55106874
K        4.75364994       9.47410002      11.48920002      -0.51781575       0.54930642      -0.57648335
K        9.69331999       1.44913999       7.13865001       0.05191798       0.45220307      -0.58535172
K        5.76451002       1.34828000       3.78126004       0.43468957       0.00202463       0.26976472
K        0.43483599       7.96818002       3.37248002       0.30209339      -0.87721303      -1.45368733
K       11.32829998      11.58670000       2.14772998       0.14248743       0.38022742      -0.00978870
K        0.56140300       0.37339800      11.15329994      -0.24970598      -0.17761264      -0.01495928
K        4.82854999       5.59868004       0.46890703       0.22548794       0.27980649       0.39433206
K        0.33456297       7.90707003      10.62780005       0.03637648       0.12481406       0.43257969
K       12.35730003      10.23409999       5.78265997      -0.39159846       1.20838034      -0.47556107
K        5.78227997       2.08502000       8.44096005      -0.23431169      -0.32838134       0.18783093
K        7.65635997      10.27679994       4.39339004       1.81807869       0.80985308      -0.99415639
K        3.75428002      10.56510004       7.24722003       0.47763850       0.07911641       0.05229882
Li       5.91783998       7.37049998       8.51522001       0.65582319       0.07163711      -0.36832340
Li       0.35239703       4.40659995       3.07602995       0.23472462       0.17720552      -0.41467320
Li       8.72519999      11.34639995       8.10525003      -1.04404394      -0.40740881       0.30052159
Li       1.12278996       7.51400994       6.56231004       1.12530433      -1.36009613       0.31974609
Li       7.57610998       4.86091996      10.01469994      -0.88744661      -1.53898647      -0.39118194
Li      12.44159996       4.04257003       6.90844999      -1.11431128       0.59291498      -1.33161401
Li       8.68357995       6.35453997       5.55320997       0.25905282      -0.42923512       0.20652278
Li      10.00120002       7.72913996       8.15558001       1.09752789      -0.54749467       0.93389303
Li       2.74399000       1.43142001       7.03203006      -0.76822759       1.05412109      -1.42679778
Li       1.87514994       0.95005398       1.59791999      -0.53085989       0.65172727       0.00833050
60
Lattice="12.62016507 0.0 0.0 0.0 12.62016507 0.0 0.0 0.0 12.62016507" Properties=species:S:1:pos:R:3:forces:R:3 energy=-536.99613824 stress="-0.00015428887601453637 -0.0019050705086908232 -0.0015377930735063188 -0.0019050705086908232 -0.0077468635223265905 -0.0026576015058027242 -0.0015377930735063188 -0.0026576015058027242 -0.0063693641309686" free_energy=-536.99613824 pbc="T T T" config_type=melt 
Cl       7.87773004       0.43939995       8.24195002      -0.26536318       0.31931765       0.29988668
Cl       5.35446004       3.10862001       0.18208298      -0.89997066      -2.96435619      -2.55108649
Cl      12.19569995       2.60144006       5.59835003       0.60053589      -0.06325014       0.12178618
Cl       3.10894006      12.21129999       4.17943004      -0.26193053      -0.19345485      -0.50716990
Cl       3.67000004       3.96924005       8.84626006      -0.07704723      -0.25376340      -0.35136136
Cl       7.46001999       6.38561006       7.29451006      -0.91344574       0.61334313      -1.42745764
Cl       8.22073994       9.40653999       9.30944006      -0.24300197      -0.05989585       0.23975275
Cl       5.31362005       7.73030000       4.90636997      -1.03721348      -0.21837224      -1.00410325
Cl       5.41489006      10.56560005       7.37087998      -0.80539653      -0.32109368      -1.37885109
Cl       0.91205706       7.53872994       6.38190995       0.91111020       0.10154558      -0.19997201
Cl       5.19196998       8.66856006       0.72419000       0.90705385       0.00722267      -0.38153903
Cl      11.96790004       7.09690995       2.17109003      -1.42040653       0.36930693       0.70723678
Cl       1.75908001       2.39824997      11.37840002       1.69327707       3.97985532       0.15757765
Cl      10.50779995       5.42657002       5.78722001      -0.77028952      -1.52607097      -2.27472800
Cl       2.10991000       9.06306995       1.77535005      -0.58794412       0.41078978      -0.70771728
Cl       1.43865995      11.98949996       0.31144195      -0.25598374      -0.11514742       0.31667163
Cl      12.28429995      11.72520001       4.90089004       0.52386837      -0.77001575      -1.03628948
Cl       6.24624999       5.96726004      10.65320002       0.04270172       0.31482139       0.38234222
Cl       1.88103005       8.06127002      10.68829998      -0.03110796       0.54884487      -0.19879440
Cl       9.76588997       7.40322003      11.63169998      -0.17665961      -0.45671438      -0.28387612
Cl       4.86145001      11.22379996      10.62240001      -0.21616505       0.13604471       0.91162354
Cl       8.57230997       5.10836997       3.08470000      -0.40265594      -0.64532833      -0.76706487
Cl       8.46683997      12.02330004       4.63555006      -0.09379710       0.58729681      -0.49722522
Cl       5.14521997       2.95795997       3.76944000      -0.01159498      -0.32154250       0.73787164
Cl       8.71983995       8.64012001       4.28485006      -0.07768723       0.82899111       0.61024242
Cl       2.25614994       4.59003001       1.49344005       1.31580626      -1.80017452       1.17201093
Cl       9.17675000       4.31509997       8.97349997       0.66861023      -0.30182560       0.39149394
Cl      12.30329998       0.08825875       9.66858005      -0.58282703      -0.35764104      -1.04236533
Cl       8.55839006       2.12556998       0.26663001      -0.07451926      -1.34739199       0.46363464
Cl       9.81718994      10.98939996       1.11526001      -0.29036771      -0.02367307       0.63801722
K        9.71435995       4.32229005      11.95859999       0.12414438       1.16977510      -0.24675957
K        6.56359994      12.19749997       1.98742006       0.39111557      -0.11742968      -0.30017206
K       11.82650005       9.23797004      12.46810003       0.56277607       0.19697629       0.08342014
K        1.11615996       6.46562001       0.33697797      -0.29994897       1.40710254      -1.63476337
K        2.61286005       1.47871004       6.42637004      -0.45130592       0.35913178       0.05723982
K        8.74279995      11.91469999      11.13640002       0.15052519       0.21112031      -0.26683493
K        3.99711005       5.63991000       6.31126000      -0.03696854       0.07256178       0.39841988
K        2.45340994       8.97915999       4.38772006       0.46889638       0.03371444       0.84650932
K        0.40624198       5.10354995       3.88587995      -0.09717196       0.04062538       0.41927736
K        1.86757998      10.35600006       8.07433997       0.15956043      -0.42840995       0.38611609
K       10.58870000       0.35715206       6.61993005      -0.68315987       0.01887390       0.81513006
K        8.37087005       7.77064995       1.65794996      -0.14383898       0.08994085      -0.68080858
K        5.65980998       5.04199005       1.51368998       0.51468199       3.17523688       2.34619286
K        5.63672000       0.24378398       5.26882994       0.77510411      -0.20496850       0.62631240
K       10.40119994       1.94596004       2.98284000      -0.23712427      -0.13863170      -0.03852955
K        7.62105998       4.03191002       5.78666005       0.27659074      -0.26745292      -0.14540310
K       12.13869997       3.10995005       9.07892000       0.07503332      -0.09351688      -0.16252698
K       11.35150001       6.61356002       7.70469003       0.26986936       1.44198171       2.81573052
K        3.25497998       1.39881998       1.52158996      -0.03939512       0.70193549      -0.24047263
K        6.36153003       2.79041996       9.87336002       0.19299166       0.17198045       0.15752716
Li       6.80314999       8.44415005       6.14031999       0.71077150       0.39723291       0.73565792
Li       8.25212995       6.81573999       9.10960997       0.16425651       0.06037356       1.53381596
Li       6.78907005       8.51468996      10.94829999      -0.48224070      -0.27217612       0.11547257
Li       9.31689996       6.62633996       4.40864997       0.49844725      -0.29672213       0.31364791
Li       6.27030996      11.45769996       9.05666004       0.74562793       0.01744491      -0.20353589
Li       0.86999897       0.83414205      11.21740003      -1.30549915      -3.48100901       0.44122300
Li       9.96122994      10.48369998       3.69036999       0.10669545       0.20645812      -0.07395464
Li       1.31571998      11.55610002       2.64650995      -0.08643499      -0.42814687      -0.01216477
Li       3.11753994       9.48572004      12.38899999       0.30507986      -0.06290144      -0.23897369
Li       3.88263997       4.68799997      11.48470004       0.20333232      -0.45876926      -0.38733998
60
Lattice="12.62016507 0.0 0.0 0.0 12.62016507 0.0 0.0 0.0 12.62016507" Properties=species:S:1:pos:R:3:forces:R:3 energy=-534.20322501 stress="-0.011140020262614982 -0.0013306245905245456 0.0017821481120940846 -0.0013306245905245456 -0.010959268761038709 -0.004308454998271811 0.0017821481120940846 -0.004308454998271811 -0.014223183807676244" free_energy=-534.20322501 pbc="T T T" config_type=melt 
Cl       3.55105006       8.35061999       8.48010995       0.47487139      -0.90134957      -0.27126252
Cl       1.15445004       8.59832001       1.44157003      -1.17357622       0.27109871       1.07199708
Cl       2.32626001       0.66246995      12.14189994      -0.10749870       0.28569413       0.01258836
Cl       2.14508000       5.01770999       1.71794004      -0.61419639      -0.36789378       0.56502869
Cl       0.29059104       3.26563998       7.05962998       0.57802490       1.03448223      -0.75594762
Cl      10.46500005       7.47324996       8.27007999      -1.07051197      -0.08803333      -0.04138270
Cl      10.59189997       2.93121999       3.11136994       0.38109753      -0.06048544       0.16689758
Cl       0.62501002       9.04442997       9.96153004      -0.03978169       0.53611688       1.28499795
Cl       7.33206994       2.84098997      10.65760004       0.21353865       0.19974174       0.65329768
Cl       4.97463004       3.45327003       6.14522999       0.17782673      -0.09545944       0.42302862
Cl       1.88469999       0.56633697       7.57064999       1.70474461      -0.69144642      -0.40682473
Cl       0.40931903       8.37375994       5.99038006      -1.30807113      -0.23501124      -0.28138242
Cl       2.93107006       6.63863995       5.29819997       0.42988932      -1.61680495      -0.10077572
Cl       6.97361005       3.85229996       1.84735996       0.40496231       0.18966898       2.83652086
Cl       7.68275997      10.26809998       4.20567998       0.05369014       0.59519716      -0.06993443
Cl       2.84031997      10.76049995       4.28340997      -0.09357608      -1.08832485      -0.41453649
Cl       8.80396004       6.74960995      11.91860000      -0.98277254      -0.04169535       0.36905911
Cl       4.19581997       5.52632006      11.86080002       0.65550018      -0.13873731      -0.30764571
Cl       5.80754996       8.58862002       1.85423996      -0.00920362      -1.03161567       0.24032121
Cl       8.30714996      12.26389996      10.10349996       0.31299615      -1.80133593       0.39924580
Cl      11.25129994      12.47520001       5.73396001       0.01998257      -0.76312515      -0.34230892
Cl       2.82364999       1.80113999       4.26043004      -1.20707077      -0.49501097       2.22448738
Cl       6.12936997       0.44808401       1.72979996       0.70219069      -0.28841968       0.09287938
Cl       7.20615994       7.48712999       7.75846001       1.08071609       0.58016497       0.33463932
Cl       9.70012995       2.26283005       7.24520004      -0.49528747       0.60614191       0.01675790
Cl       9.69152994       7.22730995       3.11350994      -0.64220728      -0.50958057       0.23510475
Cl      10.36199994      11.06619997       0.03865885      -2.32961748       0.19620617       1.76623575
Cl      12.31739999       4.94256006      10.77390004      -0.74318094      -0.61029816       0.56076369
Cl       5.65569000       9.80508000      10.26980004      -0.01265927       3.77436469       5.40077556
Cl       5.56940000      12.46219998       6.59384001      -0.85130388      -0.25746649      -0.56504537
K        0.26286201       5.38981997       5.02556995      -0.07905098      -0.03277828      -0.34544544
K        6.31839001      10.64640003       0.25197396       0.18421159       0.73321780      -0.31140866
K        5.18311997       6.21963003       6.65703006      -0.20801490      -0.05959327       0.45848477
K        3.06582995       8.27620001      12.37190005       1.39103195      -0.31409046      -1.23537860
K        1.88363006       6.05402002       9.55444996       0.68802160       0.09928751      -0.04645070
K       12.39769996       1.32973997       8.91322998      -1.36209648       0.23806320       0.67292775
K        0.50614194       2.61215004       0.94888901       0.09195861       0.54844575       0.05514093
K       11.05280001       6.24843000       0.76442498       1.22025130      -0.48429331      -0.00855703
K        5.21341997       1.84850006       8.80657002       0.00985532      -0.15642737       0.12316207
K        9.18465994       0.27180201       2.50447996      -0.34066605      -0.20550628       0.54553846
K        9.10892999       9.41596006      10.90950005      -0.43735799      -0.57961256      -1.07828643
K        3.79852998       1.97875998       1.96921005       0.67785876       0.68155933      -2.09053102
K        9.48586000       5.21552994       9.43535006      -0.32363450      -0.93252990       0.12001679
K       11.37669995       9.38656996       2.64460998      -0.05073626       0.75239499       0.36380281
K        0.06046927      11.57590005      12.04870002       2.81957516      -0.23021772      -0.78265904
K        9.57916996       9.15220996       6.12890997      -0.14770453      -0.07289486      -0.41541954
K        4.63225998       6.20687003       2.87392999      -0.43151055      -0.66249530      -0.29941864
K        7.91395003       3.80158999       4.80361999       0.21138746      -0.31114855       0.12937715
K        1.71848005      10.15789994       7.56296002       0.49856140       1.23036222      -0.03863152
K        8.21204994      12.24880005       7.61253001       0.32566017       0.14839534      -2.63046920
Li       6.64911002       4.18565998       0.01203497      -0.84556841       0.50172541      -3.25596509
Li       4.99324996      11.43140004       4.23912998       1.09311207      -0.05369419       0.02394567
Li       7.61597999       7.04603996       1.52539001       0.34688128       0.24286802      -0.09206257
Li       2.82969000       2.63536003       6.72344001      -0.51934858      -0.21933138      -0.89892937
Li       8.25739003       0.83598598      11.57739995      -0.49332300       2.05786979       1.57119739
Li       5.81240002       8.83470996       8.86140994       0.02355844      -3.64125391      -5.09335257
Li       3.01965996      12.28407001       5.68109994       0.04256970       1.56531574       0.64898682
Li       2.12823006       8.24878005       4.53411006      -0.62998918       1.99742301      -0.88923596
Li      11.64070005       2.04170002       5.21676003      -0.25434885      -0.11464798       0.47489234
Li      12.26329999       8.22806001       8.35398995       0.98933963       0.08680396      -0.77285163
60
Lattice="12.62016507 0.0 0.0 0.0 12.62016507 0.0 0.0 0.0 12.62016507" Properties=species:S:1:pos:R:3:forces:R:3 energy=-535.57251816 stress="-0.006982102319290066 -0.001734621859987136 -0.0038804456695265247 -0.001734621859987136 -0.0008937075921661085 -0.0029428111724946722 -0.0038804456695265247 -0.0029428111724946722 -0.007236539461055654" free_energy=-535.57251816 pbc="T T T" config_type=melt 
Cl       4.45526002      10.76480002       8.35162001      -0.01174181       0.75808094       1.77686839
Cl       1.07364994       9.97278004       5.66959994       0.79403690       0.46159102       0.38850215
Cl       7.87623997       8.12004995       4.40692000       1.33594773       0.33208368       0.17408771
Cl       5.90553999      12.54840000       1.50758006       0.08106691      -0.11648594      -0.50919564
Cl       0.74001998       2.63852000       8.81053994       0.58114443      -0.65365474      -0.10493214
Cl       1.32545000       0.56660503       3.15989006       0.15668292      -1.87648970      -0.38165131
Cl       1.90514996       3.64049005       1.60816000       0.42901908       0.07940495       0.44017306
Cl       1.26950998       0.50714802      12.34660002      -2.70713391      -1.41489906      -2.24772846
Cl       3.83159002       5.66467000      11.78019995      -0.30672919      -0.31919468      -0.16890481
Cl      10.77479998       6.65336996      12.47310001       0.36058447      -0.35502597      -0.26284249
Cl       5.07835998       1.65953000      10.25750005       0.14432647       2.01191948       0.76585143
Cl      10.42779996       7.24526996       7.15611998       1.07085952      -0.39872222       0.18105169
Cl       4.79694998       0.22519094       5.09448994       0.58994268      -1.40269727       0.21489859
Cl      11.74550005       2.73738006       4.78648004      -0.13926008       0.76772216       0.25146668
Cl       7.42006000       8.04506005       9.36323995       0.37067682       0.18105372      -0.35758766
Cl      10.42749998       3.95351002      10.07709996      -0.79341574       0.14186992       0.08890174
Cl       6.55854002       4.87903002       6.87137006       0.24237481       0.12691757      -0.47743445
Cl       9.58994998       0.38757701       9.79270997      -0.48593784      -0.69562670       1.10536949
Cl       3.62796996       9.79773002      12.09319998      -0.31901408      -0.38799334       0.35691492
Cl       9.89566995       2.52897002       0.95018497       0.03673089       0.01207685       0.51141323
Cl       7.38048001       4.78930002       3.62103998       0.50230996      -1.03487820      -0.50779494
Cl       4.00802005       2.97209002       4.96024003      -4.18985075       3.02929035       1.22198218
Cl       8.57830001       1.32850004       4.93884001      -0.22644588       1.25702514      -0.15176963
Cl       2.86280999       5.77711997       8.19066003      -0.30990966      -0.28300688       0.19334248
Cl       5.07189000       7.88706000       4.12568997      -1.21557949      -0.39185314      -0.53398727
Cl      12.14779999       9.44337005      10.80690001       1.00779593       0.09180112       0.56475029
Cl      11.19680000      11.48309993       6.99986996      -0.50521999       0.29147444       0.05796301
Cl       7.14755997       5.71911996      11.84939997      -0.40229796       0.16134844       1.35230013
Cl      10.33209999      11.24709994       3.24971005       0.02032863       0.14953125      -0.86459958
Cl       0.80368202       7.80114999       3.50892003       0.11262230      -0.61129608      -1.11050234
K        0.94812801       5.89549005       5.85017999       0.00351458       0.17472014      -0.09173601
K        5.97130998       9.20491998       1.26409997      -0.12165258       0.00006304       0.24870151
K        3.95151995       1.15010000       7.92945000      -0.35558823      -0.08736379      -1.61190263
K        7.40600997       1.97048001      12.18649998       0.02025596      -0.06134622       0.22842068
K        3.96153001       5.71884004       2.64628001      -0.30699641      -0.55318997      -0.24156803
K        9.83193004       1.71002997       7.46000005       0.62052818       0.28997386      -0.09234715
K        9.13096000       6.56705005       2.15155995       0.12215592       0.25414816       0.07150767
K        1.51789995       7.39163005      12.55980004      -0.28102691      -0.02660380       0.12922522
K       12.22350003       6.38021999       9.40015999      -0.14617503      -0.15917677       0.14942656
K        1.16360004      10.37380004       1.77472005       0.07187778       0.17700924       0.35723911
K        4.15760005       9.81806994       5.98635006      -0.57771045      -0.16935096      -1.47778117
K       12.55659995       3.14628994      12.31409994      -0.56010742       0.25295102      -0.62633964
K        4.63512994       7.71552002       9.40867999      -0.27601887       0.22333473       0.29577673
K        0.48980905      11.89489996       9.23995999       0.15034807      -0.02081652       0.16604929
K        5.46136003      11.78240002      11.05010005       0.22168781      -1.25486754       0.12447171
K        7.15910995       4.51175003       9.44468002       0.38329933      -0.14762440      -0.18066810
K       11.06640000      12.02670004      12.04699995      -0.14391354       0.14875674       0.71052440
K        7.55474000      11.45379995       4.35072997      -0.35219038      -0.50344480      -0.11448521
K        9.86039999       9.70994996       9.39009995      -0.85666393       0.01714514      -0.93717757
K        1.00353003       0.37099701       6.18321997       0.09439360       0.14008763      -0.47180795
Li       8.52465005       7.53740999       6.42801003      -0.79305345       0.16027947       0.19719263
Li       9.34114999       4.09512001       5.02896995      -0.54445980      -0.19385098      -0.03754837
Li       9.04539995       4.88091005      11.88540000       1.76795148       0.06977744      -0.11340403
Li       2.77887996       1.00338995       0.66588395       2.64888241       1.18765981       2.45301470
Li       5.56701996       2.36343006       4.25010006       3.29346938      -1.75556614      -1.17067968
Li      10.12140002       1.94501997       3.43923994       0.08657351      -0.66684636      -0.74078324
Li      11.78929997      10.56709996       4.67341005       0.02428165      -0.26829978       0.76942644
Li       3.65680994       3.86189002      10.19380002      -0.33861949       0.50042246       0.00309364
Li       1.23958997       2.50094997       3.59533005       0.20770146       1.57574851      -0.07698569
Li       6.31254006       6.00882001       5.02056997      -0.28665873       0.78490357       0.11423774
60
Lattice="12.62016507 0.0 0.0 0.0 12.62016507 0.0 0.0 0.0 12.62016507" Properties=species:S:1:pos:R:3:forces:R:3 energy=-537.17318395 stress="-0.00527088342219305 -0.0008263064026854636 0.00027960755024393876 -0.0008263064026854636 -0.0005051408749154556 -0.0007280064163073326 0.00027960755024393876 -0.0007280064163073326 -0.01702220186335152" free_energy=-537.17318395 pbc="T T T" config_type=melt 
Cl       0.59598906       2.28033005       5.64766004      -0.70251052       0.39110147      -0.43418714
Cl       6.51410997      11.95319995       5.94990000      -0.07222507       0.29537263       0.14068597
Cl       3.90659999       1.80089995       4.20815997       0.27418023       0.01725104       0.35883390
Cl       7.37653002       4.30267996       1.21364998      -0.15924404       0.50448560       0.13207498
Cl       6.53152996       4.39953001       9.65046001       0.35842628      -0.39150344      -2.95098474
Cl       7.94912004       1.04425001       0.68802502      -0.30370282      -0.84187081       0.76289543
Cl       2.68426999      12.02839998       6.96845004      -2.57676646      -0.29900514       1.48065816
Cl       3.79877999       7.74966994       5.61241003       0.09622364      -0.63048439       0.28112823
Cl       5.33751002       7.98908002       2.38230995      -0.71861259      -0.69241402      -1.51090941
Cl       0.88613701       5.36296994       3.36392002       0.53004403       0.03737943       0.13798709
Cl       9.60102998       2.62394005       6.26892994      -0.81861523      -0.73680859      -1.23080957
Cl      10.56230000       6.91991996       9.34449004       0.66533347      -0.15722326       0.43405788
Cl       0.28532906      11.56130003      11.49529997      -0.27074071       0.24726371      -0.86882709
Cl      10.94079996       1.49611994       2.09182997       1.39114785       0.60789010      -0.42998371
Cl       8.23960002      10.29629999      10.78410004       0.56347477      -1.27642692      -0.36460511
Cl       3.99355002       6.83087005      11.90700005       0.18336641      -0.70144981      -0.37206705
Cl       2.33927998       2.90330999       8.66262997       0.23520100       0.66513164       0.56558668
Cl       7.99023994       6.59174998       6.26088005      -0.26736410       0.19867966      -0.02880731
Cl      10.09169998       1.13112003       9.40606004      -0.28672728      -1.02506084       0.05600392
Cl       1.91231001      11.26210002       3.13408006       0.23781762       0.73375597      -0.18431841
Cl       3.80347999      10.95580003      12.14930002       0.98957714       0.01462558       0.43987870
Cl       3.83197998       3.03320001       0.85710394      -0.69029344      -1.01362767      -1.15944588
Cl       2.06680999       8.63109003       9.33026005       0.39913546       0.17580546       0.34284813
Cl       7.67082003       7.06032005      12.12600004       1.29040795       0.31742357      -5.32721448
Cl       0.52755798       9.02523003       0.76659098       0.24590388      -0.68519816      -0.21100225
Cl      11.75730003       4.14070998      11.64709999       0.02739782      -0.07946307      -0.68543615
Cl       9.88546995      11.11500001       4.93024000      -0.58500468       0.44049301       0.44853331
Cl       9.96943999       8.79103005       2.47006995      -0.60474801      -0.38461185      -0.50971693
Cl      12.42320001       8.89724994       5.80187000       0.17107852      -0.77836314      -0.46086668
Cl       6.42168997       0.37233197      10.25579999      -0.48860581       0.28258749      -0.08200452
K        4.56737997       4.66210996       7.16737994       0.00546485       0.19164773      -0.11767957
K       11.05230000      11.47220002       1.20831001       0.09618103      -0.77780898      -0.19696500
K       12.31520004       9.81721000       8.38368999      -0.21697704       0.35041436       1.07429809
K        4.30710004      11.21170000       9.05219995       0.51000419      -0.31701906       0.48177295
K        1.81888003       4.79677999      11.01540002       0.58583877       0.44835662       0.07597918
K        8.85165001       1.60635998       3.66204996      -1.27918558      -0.04007436       0.27614984
K        1.17448001       1.98060997       2.57234995       0.57716789      -0.02064590       0.63910846
K        1.96838002       8.35751994       3.31171002      -0.10909991      -0.01326976       0.07538363
K        5.07055996       0.25951199       1.85548002      -0.00754267       0.17484975      -0.10172579
K       10.97819994       3.38863005       8.33041006       1.39282413       1.26156452       0.80586964
K        0.65281804       5.85163005       6.27739997       0.24564191       0.17235231      -0.06916813
K        2.17493994       0.88550701      12.04740001       0.31543410       0.28907134      -0.25509665
K        6.67064999       7.81471995       9.59653001      -0.09503383       0.16545100      -0.15853011
K       12.58659997      11.88779998       5.17951994       0.61360858       0.26815208      -0.07844892
K       11.45009997       4.48523998       1.70130994      -0.75128007       0.15635919       0.58749389
K        9.04496002       3.01770005      11.61070003      -0.12641881      -0.09453342      -0.04901239
K       10.36349997       7.83452995      12.26770001       0.68314487       0.41704534      -0.16498511
K        6.58540002       9.18116996       4.30072004       0.81781340       0.56076031       1.55615894
K        7.54647001       2.05466005       8.20229001      -0.61637882      -0.23476414       0.13108051
K        4.02196003       4.96230999       2.64641000       0.27720950       0.82608418       0.71582449
Li      10.70059998       8.88821996       4.44161005      -0.12660926       0.32836298       0.24520096
Li       6.28099003       4.84113003      11.45860003      -0.53301479       0.97600194       3.67606224
Li       7.16606997       6.89182002       1.16944002      -1.81328848      -0.93461863       5.41274763
Li       2.04880000      10.06109999      11.43040002      -1.45683625      -0.85808694      -0.16364770
Li       9.18998994       0.02477856       6.72424998      -0.00918455      -0.09289382      -0.17922811
Li       1.49247006       1.47830001       7.33793996       0.53636276      -0.63868542       0.08906066
Li       4.02880004       8.61690004       0.46825204       0.15240599       0.45094026       0.18293081
Li       9.51545996       7.11770003       7.63193995      -0.39089829       0.10892961      -0.77389998
Li       7.81239998      11.99930002      11.87819995      -0.42939589       0.71487478      -0.32200650
Li       4.04294005      12.48549996       5.70844999       2.03848694       0.92544687      -2.16471392
60
Lattice="12.62016507 0.0 0.0 0.0 12.62016507 0.0 0.0 0.0 12.62016507" Properties=species:S:1:pos:R:3:forces:R:3 energy=-530.9836156 stress="-0.02516291562154344 -0.0011486305355530003 -0.004994774968070736 -0.0011486305355530003 -0.02133165304392888 0.0004955217606430823 -0.004994774968070736 0.0004955217606430823 -0.009990436124331693" free_energy=-530.9836156 pbc="T T T" config_type=melt 
Cl       9.18648002       8.79507999       4.35831002      -0.10591012      -0.53320244      -0.45596534
Cl       4.26741000       1.39427003       2.14922004       0.73671187       0.08248028       0.10999252
Cl       8.69591995       6.62611002      10.40479997      -0.66435177      -1.13323756       0.09239731
Cl      11.81640001       6.59325998      11.60979995       1.25498318       0.03314591       2.16169005
Cl       2.76290005       3.16336995       9.21258004       0.88808549      -0.05958115      -0.63478522
Cl       5.02290003       9.40217000       4.16992995      -0.80032023       0.74655048       0.98092398
Cl       9.89612995      11.39670001       6.29430998      -0.71039058       0.58066064       0.78273605
Cl       4.92935003       7.24081996       0.87077700       0.02956988       0.00744041       0.77406637
Cl       7.40353995      12.61619994       3.36887999       1.24011885       1.38359008       0.90424598
Cl       4.00946001       8.07664996      10.48830003      -0.73652812      -0.04032903      -0.66477721
Cl      12.39860003       8.95551005       8.18325994       0.52831448      -0.60920587      -0.18199040
Cl       2.91417002       4.03425006       0.10463303      -0.18240844      -0.20210270       0.99316059
Cl      12.60128291       1.65965999       3.14572001       1.02693944      -0.61355775      -0.05829202
Cl       0.04493498       2.81480995      11.13389997      -0.38359483      -0.39558381       0.12777941
Cl       2.98824004      12.29270006       6.95032004      -0.19808986       0.17601628       0.80206766
Cl       9.78258002      11.53479995      10.86729999      -5.82651587      -1.21385512      -0.24543375
Cl      11.52669995       5.02903002       2.24324002      -0.63580670      -0.94456133       0.43858112
Cl      12.32209999      11.50989999      12.40129998       2.08504089       0.22465265       1.07693393
Cl      10.88840002       5.22422006       6.77754001       0.57081390       0.10200975       0.05915134
Cl       7.59188001       2.27360994       8.34078005      -1.54926859      -3.48068039      -0.23288810
Cl       4.92684000       4.77179004       3.88123005      -0.89888246      -2.07446561      -0.17298107
Cl       7.69815001       6.78153000       7.19408004      -0.93473677      -0.38726893      -0.94014618
Cl       6.02964000      10.09840003       9.17588994       0.30353483       0.53383074      -0.89057612
Cl      11.99989998       0.40038004       8.75482999       0.31310931      -0.21505206      -0.25651186
Cl       6.39856996       3.68446994      11.94070005       1.86349028       0.70151123       0.99592359
Cl       6.66497003       9.93563006       1.62876999      -0.19914153      -2.38182522      -2.93173976
Cl       8.08785995       3.70548996       2.87397997       0.22334508       4.13900928      -0.74775641
Cl       0.14336495       9.04950996       3.45238005       0.97181490       0.05940308       1.12545547
Cl       3.77028996      11.08850006      12.01990004      -0.88410962       2.66785952      -0.84463416
Cl       2.24522000       6.10477996       5.25995999       1.38186379      -0.36494938      -0.24766868
K        2.82611004      11.30230004       4.42791995      -0.03576746      -0.24247046      -1.04521221
K        5.20380000       1.46698995      11.63019995      -0.94080074      -1.62474478      -0.41862223
K        4.73843003       5.62559999      11.25849999      -0.03990985      -0.17443120      -0.72896300
K        4.43410005       4.25174005       6.79399002      -0.09468036      -0.35648275       0.08765923
K        8.57826000       4.45086000       8.41512001       1.74348346       2.49329820       0.32693522
K        1.93309997       0.58574401       0.58887306      -0.61241906       0.53040345       0.03377491
K        1.70116998       4.05421995       3.45570004      -0.10528048      -0.76013106      -0.46619879
K        7.28198997       8.65779998      11.27020002      -0.92363240       1.18929541       0.74336559
K        9.65671002       5.85614996       4.22381995      -0.05676858       0.62584138       0.60221526
K       10.06139997       2.44927999       3.64291994       1.86622663      -1.67285050       1.31283772
K        6.14110004       7.00014004       3.74127002       1.40795314       1.16165817      -0.59014212
K        0.65033705       6.82837997       1.61414006       1.41099772       0.73924260      -0.29790189
K        9.66553997       4.16487003       0.19193492       0.04345441      -0.05848074      -0.61128131
K        5.13538003       7.83830994       7.01298004      -0.32851429       0.96583965       0.23754005
K        0.04033493      11.43140004       6.33128997       0.05758830      -0.06454529      -0.24112060
K        1.44717995       5.30482001      10.64099998       0.05655761      -0.12257999      -0.47056090
K        5.94612000      12.56110005       7.29423001       0.29005897      -0.38768959      -0.00798313
K       11.44569995       9.49492001       1.21652005      -1.20289902      -0.36612134      -0.31883974
K        9.54516998       8.62186999       8.09313000      -0.23267673       0.94330899      -0.69879444
K        2.02465005       9.94363995       9.70842998       0.21095304       0.56381579       0.17106456
Li      10.61699996       7.09711995      10.23110005       0.16881547       0.68844486      -1.71149865
Li       6.89111998       2.32833994       2.70986002      -2.90248511      -3.35295729      -0.15702781
Li       1.05356003       7.09672998       6.42848997      -2.07589057       1.12317687       1.16902425
Li       4.66062999       4.15182999       1.53995002       0.12610313      -0.00592305       0.01847733
Li       4.38618999       9.50105997       0.24236800       1.02948355      -2.68942787       1.06258554
Li       9.81188997       0.20968000       8.40682995      -0.45023147      -0.38224014      -0.21308871
Li      11.50640004      11.87289998      10.64870005       3.74214203       1.33295340      -1.67549612
Li       8.25924999       9.89749003       2.78512000       1.02001949       0.47612681       1.44214708
Li       6.12444003      11.66469994       2.19120001      -1.89651426       1.81065981       0.13612654
Li       1.13263003       1.55478995       9.29786005       0.01695273       0.82830867       0.39001927
60
Lattice="12.62016507 0.0 0.0 0.0 12.62016507 0.0 0.0 0.0 12.62016507" Properties=species:S:1:pos:R:3:forces:R:3 energy=-533.49948292 stress="-0.012876415441450437 -0.0011405174787081753 0.0006030039931038295 -0.0011405174787081753 -0.008673085575959492 -0.004933144041293952 0.0006030039931038295 -0.004933144041293952 -0.01329843017517086" free_energy=-533.49948292 pbc="T T T" config_type=melt 
Cl      11.29500003       1.68858995       6.75114998       0.01009042      -0.49104964      -1.52513143
Cl       0.56313398      12.41740003       3.72267004       1.07371884      -0.84245774       0.16950763
Cl      10.22629997       5.50354003      11.00899996      -0.96318663      -0.43198645      -0.13058573
Cl       3.27331998      10.00880001       1.29040999      -0.06860970       0.07829356       0.32236483
Cl       0.49216296       3.20470995      11.49169995       0.32151636      -0.11558750       0.54136376
Cl       6.85888997       2.11847997       7.98926996      -0.03120722       0.32549314      -0.42332965
Cl      10.26090005       0.22415395       9.66036003      -0.47995151      -1.11807297       0.57230368
Cl      12.02360002       8.01456998       0.04853488       0.27587014       0.02091791       0.79573020
Cl       1.47373997       6.48950998      10.93889999       1.50698959       0.02237905      -1.25071462
Cl       3.20029996       9.03170998       9.72903998       2.08041592       0.96232803      -1.08514145
Cl       3.18920999       6.62615003       3.14622002      -0.03979777       0.01066426      -0.38138693
Cl       3.45093000       1.08875994       1.67551003       0.03443427      -0.37632413      -0.39994655
Cl       8.46264995       9.73472006      11.71059999       1.05552625       0.94991199       2.32424165
Cl      10.17710001       4.36873996       2.34509005       0.41666472       0.69992567      -0.32420351
Cl       4.89143994       8.45209003       6.26529004      -1.22120726       0.36968232       1.00303755
Cl       8.54446004       7.46207998       7.63955004       0.21022253      -0.71718285       0.67492648
Cl      11.38899994      11.87850005       0.39543394       0.93922487      -0.30746460       0.21795040
Cl       8.45906002      11.64929994       5.03796005       0.13245892       0.21403781      -2.92576761
Cl      12.18049997       9.64702001       9.69629999       0.18080170       0.05556617      -0.66899356
Cl       4.84185998       3.10824002      11.56030001      -1.37500130       1.39077352       0.29286080
Cl       6.08119994       7.81243999      10.98460001       0.20518152      -0.42460706       0.01992251
Cl       0.35549503       5.86155001       6.67790002       1.57462552      -1.05972437      -1.23820760
Cl       6.74778999       8.17463002       3.93841997       2.51008489       1.03796642      -1.35463753
Cl       0.60927002       3.44789005       3.73186005       0.27268259      -0.19745904       0.18637384
Cl       8.71005996       2.23316004       0.32300202      -0.33598451      -1.62223114       0.18781082
Cl      11.12449996       8.54673003       3.69839995      -0.11426770       0.10399217       0.31947165
Cl       7.28360005       4.16991001       3.48636995      -1.10483787       0.37175536       0.05951670
Cl       4.15468000       2.21331004       4.99253995      -0.11100837      -0.49094118       1.87016747
Cl       2.34095001       1.74950004       7.97354006      -0.34479664      -1.25046009      -1.05896410
Cl       6.75275994      10.82300005       8.94884004      -0.60461683       0.59723057      -0.57482610
K       11.45329994      10.89819996       5.36014996      -0.32735037      -0.05633769       0.42329951
K        6.88956997       1.75048000      10.81180004       1.20832294      -1.25749562      -0.46895514
K       11.37489994       6.92242998       8.29245996      -1.05462466       1.07927911       1.69948085
K        7.46478006       9.39370995       6.17241004       0.16074652       0.68656763       0.58855050
K        3.63152999       7.36038997      12.35219997       0.38971553       0.29788184       0.39952529
K       11.18799996       1.18230994       2.35441004      -0.33671668       1.11622308      -0.32374338
K        8.57915995      12.43410004       7.39240001       0.60476692       1.18056750       2.46836243
K        6.81644003      11.44110002       1.15162994       0.24854705      -0.15944149      -0.20718091
K       11.37310005       2.57992003       9.26321000       0.22856461       1.13078434       0.74431135
K        2.42073002       3.94414006       9.35954994       0.26551532       1.27110310       0.89201810
K        2.85714000       4.58549003       5.29937996      -0.37874853       0.77667801       0.47401872
K        9.10065003       2.36051997       4.78833003      -0.09692488       0.24662968      -0.00620284
K        8.90856001       6.59867997       4.62424997       0.85019752      -0.83532470       0.17317797
K        2.55130002       3.94415003       1.44511996      -0.10175325      -0.34550165      -0.44643609
K        2.92114998       9.89805995       4.69715994      -0.23120670      -0.07980278      -0.25480038
K        0.29916202       6.53231998       2.62617003      -0.86685872      -0.22990934      -0.08191779
K        4.76965004       0.13013006       7.08942998      -0.02054928       0.53982430       0.18049828
K        8.26731996       6.73901002       1.18451002       0.44943337       0.54961147      -0.09905697
K        6.87663001       5.54416005       9.49341998       0.19282397      -0.31808512      -0.33299538
K        1.81469998      12.52190560      12.14319994      -0.21228990       0.27332831      -0.35240963
Li       1.17739994      10.58240001       1.90504004      -0.90485894       0.16043026      -0.03828311
Li       1.46583003       8.77694002      10.53439997      -2.55119452      -0.42690214       0.77439676
Li       8.85618998       4.20647997       0.00421110       1.21002693       0.65155384       0.14973896
Li       4.99579002       9.62701995       8.43296997      -0.48664659      -0.98081106       0.23297866
Li      12.47969998       5.47606000      11.43499994      -1.68285901      -0.67438342       0.90372833
Li       5.13884994       7.48809998       3.31989003      -2.35083453      -1.20337221      -0.65437708
Li       0.80593800       1.96339998       5.80900002      -0.10009104       0.02567284      -0.15299287
Li       4.66749006       1.91177997       3.16335998       0.99952275       0.01833183      -1.53221567
Li       7.87796994       9.23916000       9.92247000      -0.44754958      -1.12213322      -1.17888156
Li      11.08050001      11.04299995      11.02250000      -0.66316196      -0.08033588      -0.18935053
60
Lattice="12.62016507 0.0 0.0 0.0 12.62016507 0.0 0.0 0.0 12.62016507" Properties=species:S:1:pos:R:3:forces:R:3 energy=-534.92959827 stress="-0.015383331668947545 -0.0014209999324938348 -0.0009274520553533221 -0.0014209999324938348 -0.012530787435891663 -0.0012369856383314416 -0.0009274520553533221 -0.0012369856383314416 -0.004264782940465187" free_energy=-534.92959827 pbc="T T T" config_type=melt 
Cl       2.07741004      11.10989995       9.65932997      -1.05336777      -0.51684569       0.27181287
Cl       7.43146005       9.00299002       0.56513503       0.08220752       0.05998529       0.24738938
Cl       6.60075005      12.47250005       6.98866995      -0.33117811      -0.28663063      -1.07146122
Cl       3.18403004       2.88354997       7.90115003      -0.15623116      -0.11712492       0.38210655
Cl      10.54909994       1.02021995       1.14753003      -0.01642574       0.52332326      -0.38732135
Cl       7.33544003       4.00089004       5.86365997       1.76384144       0.36706367       0.30298386
Cl       7.83295003       3.35351002      11.06580004       0.98416437      -4.74790396       0.22580068
Cl       4.13210997       5.80595995       5.63045005      -0.47997077       0.35559313       0.14361350
Cl       4.34418995       7.73490005       1.43020002      -3.02031980      -1.49254641      -1.62794044
Cl       7.83676006       8.10728995       4.51851999      -0.49546337      -0.54758167       0.15208871
Cl       5.55290999       4.66743996       2.90771001      -1.32494884       0.42260945       0.09865901
Cl       9.63199002       9.94520006       7.10360002       0.15979017      -0.00736029       1.15039641
Cl       2.93617000       6.34593996       9.15664999       0.30521022       0.45698559      -0.32800686
Cl       3.10364994      10.26090005       2.45779002      -1.02876486       0.84493512       0.61804961
Cl      11.27429993      10.53900002      12.14540001       0.22632674      -0.51510354       0.00618043
Cl      12.43509994       0.38080099       4.98120995      -0.06976196      -0.42849943       0.04614972
Cl       4.81817003       4.00317997      11.05410001      -0.38324008       0.88194647      -0.54322476
Cl       6.84902000       0.68863294       2.19237003       0.01686826       0.32250764       0.11134335
Cl       5.48496996      11.14859993      11.01469998       1.25941162       0.58432954      -0.72187281
Cl       1.33418000       5.59824995       3.02160006      -0.54551586      -0.13254314       0.39652618
Cl       1.30766995       2.72069002      10.80660002      -0.22102140       0.30785485       0.51860272
Cl      10.65979999       5.56617996       9.15723001      -0.17738533       0.64110854       0.72664317
Cl      11.74299999       4.26065001       6.13877995       0.49346106      -0.42752313      -0.38445525
Cl       0.07470166       8.62715999       6.13397002       0.17998254       0.17799530      -0.46862509
Cl      11.23689995       1.83906005       8.67755003      -0.99605258      -2.38053423       0.40389719
Cl       7.29170005       7.28554002       9.40130994       1.57524830       1.05175147       0.56268236
Cl       8.48337996       5.73571005       0.29873496      -1.03370438       0.41640999      -0.26195675
Cl       9.60651004      11.01020001       4.18184995       0.91684205       0.11349543      -1.24808358
Cl      11.65259998       5.91355998       0.64716396       0.48160530       0.11510316      -0.09908767
Cl       2.46123999       2.41218996       4.85099004      -0.22394467       0.52385408      -1.96808666
K        3.03295997       8.51610998       4.94750994      -0.15233087      -0.22638703      -0.01198302
K       10.64779998       3.49860999      11.62510001       0.49413705       0.15001453      -0.17783111
K        9.19719997       9.32137003      10.19909998      -0.12760914       0.20904959      -0.04837775
K       10.23829998       6.57393005       5.53695999       0.27722104      -0.15268595       0.05498254
K        3.33215001      10.18390000      12.17620003      -0.48644484      -0.32331143       0.57468104
K        5.33087005       7.07274006      11.31129999      -0.60325275       0.14346467       0.84267563
K       12.13999997       2.71145004       2.61581998       0.94887538       1.15402814       0.91653796
K        8.63261997      11.71479998       0.36209399      -0.68221544      -0.19107913       0.10620456
K        5.06497995       2.72540996       5.51942995      -0.04453326      -0.48515371      -0.21427085
K        8.04759001       1.02552004       8.90903995       0.49037904       0.67149864       0.65186730
K       12.43449998       0.28673697      10.81020005       0.24602761      -0.17081765      -0.16966126
K        6.99882994      10.74620004       3.69883005      -1.02617999       0.29257415      -0.12523515
K        7.74393004       3.66976997       1.92973001       1.24666379      -0.89583804       0.09530178
K        4.95303997       2.73098997       0.89409604      -0.33316941      -0.81993905      -0.13110070
K        4.13746004      12.43169994       8.54569001       0.60399099       0.57317088       0.03563859
K        6.01040006       5.76222994       7.85989004      -1.42302907      -1.70435675      -1.46561330
K        0.00083495      11.88480004       2.12796996       0.21966839      -0.38259117       0.29655702
K        0.28531606       8.12405004       2.31421002      -0.03661607      -0.02901834      -0.16752403
K        0.98743200       8.34096998       9.34022001      -0.64508582       0.19345231      -0.33742653
K        9.50779006       1.06259001       5.07281001      -0.30852892       0.56750449       0.38315249
Li       1.54981003       1.48338998       6.37730006      -0.87890670      -0.20844165       0.76963048
Li      11.26399999      10.55520003       5.45598005       0.47592234      -0.12430418       0.72138320
Li      10.05630004       6.69374994      12.01799995       0.60749251       0.15755971      -0.22791019
Li       3.32665999       5.27274005       2.58727001       1.10051505       0.29363437       0.21843423
Li       5.94054000       8.06290004       2.31808997       3.33797293       0.17783972       1.05824370
Li       7.48964002       5.10979996      10.69010000      -0.39116862       3.37603210      -0.32708055
Li      11.59000005       3.70995005       8.31913003       0.35030765       2.06044557      -0.67038358
Li       8.29391001       8.33266995       6.70565997      -0.56684956       0.24683783       0.01476347
Li       2.40693997       4.76069995       6.75944004       0.06192390      -0.07879873      -0.32837610
Li       2.64837004       4.34225995       9.87845995       0.35715985      -1.04103882       0.40791686
60
Lattice="12.62016507 0.0 0.0 0.0 12.62016507 0.0 0.0 0.0 12.62016507" Properties=species:S:1:pos:R:3:forces:R:3 energy=-530.55284709 stress="-0.0188896058631091 -0.0009165520960271899 -0.00029699965897792235 -0.0009165520960271899 -0.004268765422744084 0.0013745989246181365 -0.00029699965897792235 0.0013745989246181365 -0.02186308097699587" free_energy=-530.55284709 pbc="T T T" config_type=melt 
Cl       8.78142005       6.35251002       1.09330004       0.31589145      -0.23363361       0.51319785
Cl      11.75230004       7.51205002       5.30989003      -1.19634383      -0.62328596       1.01683949
Cl       2.85420001       6.48530002      11.14820000      -0.16118229      -0.20391044       0.87012692
Cl       7.55124005       3.27138998       5.35124000      -0.97962740      -2.20420851       0.28481614
Cl       3.33397994       9.92428996       2.03021996      -0.13110773      -0.16883865       0.24189161
Cl       8.23038995       8.78488996      11.39960000      -0.14310725       0.62894866      -0.30261714
Cl       4.81279006       7.12959996       8.82030000       4.64049825       0.60291672      -0.84461417
Cl       9.76257996      12.60622547       6.14580004       0.47271078      -0.04444691       0.96082396
Cl      10.81500001      12.25059994       9.93334000       4.62146585      -1.75937242      10.84561911
Cl       0.87906403       6.63433004       8.24757003       0.91018380       0.47803343       0.38963765
Cl       4.60762997       2.41973997      10.92349998       0.24053459      -0.22834175      -0.70752105
Cl       1.89028000       2.10650003       2.15849006      -0.35439621      -0.30945892      -0.39751796
Cl      11.70809994      10.79250002       0.87388699       0.79695037      -0.97143716      -1.82806228
Cl      10.68710006       3.51439996      11.67000004       1.79993433       0.71498814      -3.33260107
Cl       5.31121994      10.96130003      11.81469995      -2.41750830      -0.41615373       3.09637583
Cl       4.62204005       0.60837197       3.93194002      -0.77688035      -0.35488457      -0.19079627
Cl      11.91469999       4.00858001       7.24441999      -1.39418339       0.04893110      -0.27735497
Cl      10.47080002       8.23565003       8.59035996       0.07957150       0.03725458      -0.08600718
Cl       5.84942998      11.76629997       6.98239003      -0.12566197      -0.69315368       1.14349864
Cl       7.40481005       7.61162994       5.18151998      -0.55872224       1.31004300      -0.03360865
Cl       2.97095004       4.35814003       4.79699996       0.38572268      -1.11003256      -1.19535297
Cl       2.02508002       2.64057002       7.92584000       1.23357929       0.39445185       1.60386741
Cl       0.32764902       5.73576002       1.15367996      -3.55477005      -0.23517704       0.00421505
Cl       1.91600999      10.92570006       9.51683998      -0.78596569      -0.48633233       0.57469234
Cl       7.62163003       4.85806995       9.59921003      -0.04992210       0.93270189      -0.53117850
Cl       2.79221001       7.44692997       5.69795998       0.19548834       1.05164949      -0.27021246
Cl       5.31813996       4.30280994       0.89617004      -0.27496300       0.77989164      -0.06904103
Cl       8.84154996      12.39429996       2.50838994      -1.28912514       0.56478110      -1.24446033
Cl       1.16545003      11.43649997       4.30384000      -0.07652747      -0.19755640       0.99299273
Cl      11.01010006       2.48903995       4.07032997       0.62061226       0.38885652      -0.54412824
K        8.43057000       9.30899999       1.81537995      -0.21710205      -0.13370225      -0.34059433
K        8.88787998       5.36608005       5.19133002       2.29965634       1.63031776      -0.38168097
K       11.09709994      11.45550001       3.26062005       0.82617566       0.39243516       2.19662934
K        7.59787005       9.26795997       8.15566999       0.23341577      -0.66402792      -0.09855334
K       10.26939998       3.28359999       1.35857995      -0.83830296       0.00083129       3.44932855
K        6.17618006       6.60895000      11.98150004       0.29783691       0.07521613      -0.23882071
K       11.07949999       7.31644996      11.89680005      -0.68095205      -0.09793149      -0.36203394
K        5.62995004       5.63235998       6.29861005      -0.66164928      -0.26204812      -0.02975315
K        0.87264201       4.52862003      10.23019998      -0.22580835      -0.71034865      -0.03105133
K        2.93231996      12.61562017       7.55553003       0.93223969       0.20794741      -0.60004910
K        0.37608395       8.23103004       3.22910006       1.26420606       0.57093969      -1.40304308
K        4.48193994       9.58662999       4.99272004       0.26112725       0.26317413      -0.19058257
K        0.55447806       1.68991002       6.05041999      -0.70238934      -0.38991049      -1.58089649
K        2.69428005       5.83094005       1.50700003       4.08535676      -0.39089965       0.69542554
K        2.63167999       0.25463606      11.52870000       0.71440146       0.79369064       0.51830794
K        2.54162994       9.16066005      11.98550000       0.27198233       0.31534594      -0.17804464
K        8.66488999       2.53053997      10.33800004      -0.49641080      -1.14726372      -0.25330846
K        6.46594006       2.48305004       2.49782005      -0.04649951      -0.37452822       0.29599032
K        0.12900497       9.74670997       7.07087000      -0.01511355      -0.46770932       0.16323834
K        7.17029999      12.58218014       4.65904994       0.24509473       0.15372060       0.56872887
Li      11.61449996       6.29631002       7.29667997      -0.53616904       0.25550393       0.04295119
Li       5.68552003       4.04908998       9.70544998      -0.97081446      -0.35352790       0.39013569
Li      10.20799998      12.50189999       8.51119001      -4.66359144       1.77927708     -11.50209233
Li       9.77377001       2.31946001       5.83624998      -0.28912223       0.04019040       0.20220988
Li       6.24213998      11.21510000      10.28990005       1.89722786       0.46942561      -3.04304540
Li      12.29259998      11.40519995      11.45970000      -0.42302618      -0.08355934      -0.35668528
Li       1.91520003       5.53167000       6.02154997      -1.07428817       0.38539836       1.19186795
Li       2.84871995      12.05390003       2.95765002       0.24918416       0.47192984      -0.09862615
Li       3.02011997       6.94390004       9.00404001      -3.98150952      -0.30246327       0.11921615
Li       0.54714297       3.68533000       2.93788003       0.20169487      -0.12064711       0.17131105
60
Lattice="12.62016507 0.0 0.0 0.0 12.62016507 0.0 0.0 0.0 12.62016507" Properties=species:S:1:pos:R:3:forces:R:3 energy=-534.47660933 stress="-0.013537973003981062 -0.0029306623183999966 -0.0030604466051636944 -0.0029306623183999966 -0.014154214707412613 0.0033106111468231957 -0.0030604466051636944 0.0033106111468231957 -0.004355810101957019" free_energy=-534.47660933 pbc="T T T" config_type=melt 
Cl       9.19996997      12.23649994       8.46392004       0.04719509       0.31157385       0.22082604
Cl      12.18489999       7.99974002       3.69855997      -0.07106559      -0.11148516      -0.04474531
Cl       9.08983997       1.23428003       4.79295999       0.18162091      -0.24256494       0.18037699
Cl       9.51161005      10.14579998       4.38787995       0.29887324       3.20831739       1.39134891
Cl      10.88149995       8.82109999       8.82308994       0.17883482      -0.15484652      -0.12606378
Cl       5.75440998       0.29524699       6.54298995      -0.15737440      -0.65334360      -0.32736019
Cl       1.19627996       2.62358996       7.16799000      -0.63846946       0.08896611       1.09756995
Cl       9.43267004       7.49672006       1.38714002      -0.12924090       0.18985405       0.51136586
Cl       6.80096001       2.51784005       8.88536995       1.06505383       0.11098421       0.78118836
Cl      12.30950002       2.20034004       0.13173900       0.01665653      -2.60442760       0.07344591
Cl      10.40789998       6.32905001       6.44783997       0.08693340      -0.24689790      -0.06108621
Cl       0.72190701      11.25259994       1.31617998       2.26040140       1.65602614       0.39852290
Cl       6.49362996       4.35133006       2.78818998      -0.18887573       0.56463348      -0.64260210
Cl       9.03170998       2.08738994      12.09379994       0.33805371       1.12901453       0.62250011
Cl       3.27397004       1.85318997       1.29419995       0.80512348      -0.13707413       0.91008107
Cl       2.96537003      10.31959997       6.07518000      -0.37712782       0.47344119      -0.55685648
Cl       7.08514997       6.21489999       5.50882005      -0.19224753      -0.07609587       1.19997907
Cl      10.74150004       4.33951002       2.12900998      -1.49426915      -3.58538328      -0.00910534
Cl       2.01900998       5.42846998       4.00995005       0.72402813       0.00036152       0.08378053
Cl       5.72494997      10.56310000      10.65840004      -0.68389335       0.30381665      -0.10035094
Cl       9.14355001      11.34529997      12.24659998      -0.11684041       0.11172820      -0.18644397
Cl       8.90684001       5.78320995       9.71719999      -0.97849261      -1.12140775       0.72060735
Cl       1.92073006      12.57940004      10.65179994       0.31375969      -0.29185586      -0.10436733
Cl      12.17139995       5.15581006       9.88906001      -0.10061334       0.37873641      -1.13300184
Cl       3.78955995       4.00052001      11.01820006       0.25987599       0.04375783       0.32763195
Cl       5.76258999       8.56168998       1.48938001      -0.65610496      -0.16793693       0.98039518
Cl       1.77696000       7.03688996       0.23225104      -0.33677254      -0.15131348       0.43848376
Cl       4.23309994       7.68307005       7.00652003      -0.16508428      -0.96037691      -0.12353952
Cl       6.20435003       6.87378997       9.76218999      -1.38174402      -0.72951760       0.73213264
Cl       4.41884996       3.49865997       7.39336999      -0.84763997       1.20733504      -0.93553030
K       11.22940004       9.99936997       0.99246101      -1.71296317      -1.94422386       0.01145239
K        8.20635005       4.75295003       0.39864502       0.39195922       0.15911180      -0.37222967
K        3.68612003      11.51320004       1.25913002       0.36695972      -0.52612771      -0.16987003
K        0.48188498       3.19004998       4.66092997      -0.80080115       0.11062501      -0.92230438
K        0.65061204       4.34063005      12.06939999       1.71817158       1.96454794       0.92156854
K       11.53399996      11.37429998      10.00590002       0.11873724      -0.12096358       0.25418736
K        6.89476002      10.73470004       4.63213000      -1.17831636       0.62577902       0.04787681
K        4.96515003       0.50343100       9.76244000      -0.34225825       0.69911620      -0.34647442
K        3.48852004       9.90517003       8.92228999      -0.32085890       0.06740749      -0.24372237
K        2.25881002       5.22620004       9.05529997      -0.08824110       0.02415880      -1.05577382
K        7.14130996       8.31708001       7.77785998       0.81179509       0.34717886      -0.52768968
K       11.14149996       2.49947001       9.81678003      -0.22968700      -0.29960552       0.11375027
K        7.38170000       8.77481996      11.77179997       1.47799951      -0.50444721       0.20987955
K        2.98884000       8.14311999       3.92540997      -0.30397233       0.32669419      -0.06697258
K        2.79507996       0.56742395       6.19680002       0.44019445      -0.14542707       0.02572237
K        8.96028994       3.92513005       7.12932005      -0.36326575      -0.19323533       0.10736985
K       10.73130004       0.85944296       1.92585006      -0.73190208      -0.04131114       0.26926379
K        4.09744995       7.42467002      11.46360001       0.23121507       0.24986670       0.30123637
K        3.96707001       4.55725001       1.30211998      -0.26633707       0.53005017       0.18343697
K        6.13972999       2.87938001       5.09266998       0.42510381      -0.72580257       0.49568902
Li       4.49653995       5.57564004       6.03076004       0.03759397       0.02885654       0.50634123
Li      10.61679993       6.31428997       8.92282004       1.16687398       1.37101429      -0.89393047
Li       1.89057001       0.78476805       0.25708904      -1.97341041      -0.26516284      -1.04455034
Li       5.31033994       4.29677006       9.30638005       0.76854725      -0.06090965       0.12583352
Li      11.59130005       5.93200006       2.32110997       1.64927656       4.03408459       0.50191350
Li       6.65818997       6.53491999       3.56655999      -0.02836531      -0.08216791      -1.67266973
Li       9.63580005       8.40506994       3.77346999       0.90339269      -3.67485232      -1.48464979
Li       9.59385996      11.66359997       6.38273998       0.05100084       0.47747940      -0.40929799
Li      12.21120004       7.31685999       5.88442999       0.05015805       0.30999219      -0.24165543
Li       8.26509994       0.59784902      11.01850004      -0.32915431      -1.28574555      -0.94291410
60
Lattice="12.62016507 0.0 0.0 0.0 12.62016507 0.0 0.0 0.0 12.62016507" Properties=species:S:1:pos:R:3:forces:R:3 energy=-532.78961579 stress="-0.007491082109291506 -0.003112079614237747 -0.0002630255581869492 -0.003112079614237747 -0.014991817679880105 0.0026773523931825434 -0.0002630255581869492 0.0026773523931825434 -0.011889150773207938" free_energy=-532.78961579 pbc="T T T" config_type=melt 
Cl      11.19130001       4.54154005       3.38599004       0.40278476      -1.03847291       0.67412605
Cl       1.31302999       0.22100004       2.39748999      -0.20983180      -0.24126691       0.17636415
Cl       0.86960699       4.85353994       0.49271106      -0.84001841       1.62511892      -1.13712246
Cl       9.03429004       8.84515996       9.77611004      -0.92758204      -0.77642946       1.07563294
Cl      10.27519996       1.49505000      12.59150001       0.30986799      -0.71643759       1.28818983
Cl       0.49251103       2.08560002       8.00536004      -0.13384654      -0.07367620      -0.52381124
Cl       3.06399006       3.58721996       4.04825995       0.35704296       0.02599175       0.70304869
Cl      11.61109996      10.30250002       1.53030001       0.14537057       1.61518019      -2.06080641
Cl       2.13411005       5.66979000       6.88511998      -0.24197935      -0.20115342       0.58722452
Cl       5.83654996       5.80036997       1.23797004      -0.11690550       0.30583298      -0.42198607
Cl       2.40966996       9.55532997       3.93172005       0.73559678       0.86625377       0.18416623
Cl       9.05781996      12.38954506       8.74400000      -1.00076738      -0.17017583      -0.63393084
Cl      10.25429995       7.23241001       2.08394994      -1.08772125       2.25135969       0.11192915
Cl      11.12780001       6.54289997       6.41282999      -1.29485664      -0.39828455       1.03526069
Cl       1.01592998       0.14303493      11.22780005       0.45447420      -0.29495598       1.18254467
Cl       6.19806002       9.78757003       5.45226998      -1.47161164       0.74437744      -0.15087980
Cl       2.14327001       8.30297003      10.78170006      -0.09735726       0.19668837      -0.21877558
Cl       3.74207001      11.48849998       8.20515997       0.40909973      -0.06697613      -0.99712581
Cl       9.99536004       9.75232002       4.56114005      -0.41867434       0.06712489       0.43872362
Cl       5.40504002      10.22620002      11.44019995       0.43259650       0.18590315       0.32508714
Cl       5.78604002       1.46209004       6.99875005      -0.26853886      -0.54841761      -0.62901618
Cl       0.02823497      11.09259997       8.91859001      -0.72427077      -1.15127571      -1.19028665
Cl      10.32409994       1.14280996       4.19828002      -1.19566892      -1.12210684      -1.66957081
Cl      11.51770001       4.86649000       9.76239002      -1.15804148      -0.33950299       1.87143434
Cl       4.77545999       3.48357004       9.61007006       0.05830295       1.05529383      -0.71881852
Cl       4.11375003       2.52128005      12.52696704       0.16976272      -0.25894796       0.64149161
Cl       8.51459001       3.33140997       1.57588001       0.53934055       0.85228650       0.17195133
Cl       7.11937006       4.94509999       4.56232004       0.46465746       0.33229583       0.52750588
Cl       0.49706602       7.46697004       4.57463000       0.44280318       6.04761056      -4.41398395
Cl       7.21923998       6.77729998       8.03928998      -0.03298608      -0.13006518      -0.20652672
K       11.11689997       0.85682995      10.14940001       0.84749880       0.39747647      -1.23572468
K       10.02550002       9.74674001       7.55191006       0.91074884       0.68367399      -0.86937865
K        3.93177002       5.96142006      11.21309996      -0.04669791      -0.32751100       0.26348337
K        2.29264002       9.08104006       1.18358004      -0.24727635       0.21361974      -1.02857827
K        3.06532994       2.60737002       6.76352999       0.32187198       0.53094452       0.46752328
K        1.77409005       2.88702001       1.81817002       0.61491963      -0.85448966      -0.15990786
K        4.26169004       7.19219005       3.47371003       0.25072096      -0.63128642       0.32352341
K        8.15114995       0.62680700       5.65808001      -0.58175124      -0.63584255       0.66957068
K       12.39184003       2.22071997       4.96776998       2.40903532       1.80154687       1.21061368
K        7.18784000       3.79123994       7.54698996       0.07604433       0.84764010       0.02449953
K        8.42868997       5.99539998      11.26609998      -0.06493559      -0.05110805      -0.25773743
K       11.69159995       8.59139999      10.38309997       1.36462444      -0.35656819       0.26256740
K        5.60931001       9.13055995       8.67889004       0.18132688       0.25811458       0.21835938
K        2.40991997       8.57356997       6.81989000      -0.24665413       0.10406825       0.15465296
K        2.00574000       2.74502006      10.63910002      -0.51680412       0.43488983      -0.23070756
K        3.34046001      12.02200004       4.87778997       0.75299722       0.43835665       0.21808290
K       12.55919996      11.63790001       4.46650005      -0.65230416      -0.80744358       0.38250892
K        8.98334004      10.01699996      12.23515602      -0.49198680       0.49549129       0.75171527
K        6.55695000       1.62213998       0.89710898      -0.37522443      -0.83963333      -0.29132796
K        5.61036001       0.88118296       9.88869996       0.02674531      -0.99888157       0.14354679
Li      10.75670002       2.40067002       2.15130994      -0.76808419       0.35904043       0.01876963
Li       9.49509998       6.11864006       4.50809005       0.29413904      -0.40823161      -0.17281904
Li       2.14755002      11.19470001       9.50109001      -0.76020754       0.07356539       1.17026995
Li       0.43567700       5.98217001       5.40472994      -0.24249742      -5.63826808       2.88582257
Li      11.78959907      12.46130003       0.80872302       0.74265238       0.24198892      -0.33053645
Li      11.59229995       9.02136005       2.98015998      -0.33220086      -2.30629548       1.92307782
Li      12.38229995       5.59974998       8.17981994       0.90130098       0.39056558      -1.76444357
Li      10.71640004       5.44932001       1.48913001       0.99627429      -1.89086311      -0.75939524
Li       7.91941002       8.86210001       5.74788005       1.20778639      -0.94629037      -0.16509548
Li       6.79865001       4.21233005       2.53640999      -0.27310413       0.77855777       0.15502483
60
Lattice="12.62016507 0.0 0.0 0.0 12.62016507 0.0 0.0 0.0 12.62016507" Properties=species:S:1:pos:R:3:forces:R:3 energy=-536.22279826 stress="-0.00497032278253052 0.0010151938362375087 -0.0038402178574593266 0.0010151938362375087 -0.006549740255703026 -0.0016198681570475705 -0.0038402178574593266 -0.0016198681570475705 -0.009674776362833318" free_energy=-536.22279826 pbc="T T T" config_type=melt 
Cl      11.83860001       6.64656996       7.31993994       0.35916382       1.23562967       0.84387430
Cl      10.17580000      12.02650001       2.52541997       0.07391729       0.43071745      -0.21818071
Cl       5.16283002       9.78696994      11.35259998      -0.23839714      -0.09361138      -0.01728119
Cl      11.60949997      11.54300003       9.61117003       0.34387504       1.28665777      -0.97302089
Cl       5.61179997      11.34390002       2.15688995       0.77775728      -0.17215297       0.73962198
Cl       3.19541999       7.87103996       1.49401994       0.81889622       1.35108234       1.03136281
Cl      12.25259999       8.88044998       4.37878006      -1.15406173       0.84303032      -0.86111442
Cl      11.47720001       9.71103996      12.11900002       0.19788513      -0.40724633       0.23529964
Cl       6.61600001       4.48644003       3.71714998      -0.72822120      -0.47291023      -0.81574816
Cl       6.21703002       1.87290001       7.12761001      -0.31664331       0.15755882       0.07039870
Cl       4.70969997       1.28780001       0.36305401       1.68918212      -0.74987628      -0.13410578
Cl       8.46515001       3.78987002       8.86227997      -0.38937823      -0.77722788      -1.23865049
Cl       6.77208999       7.91455997       7.64871001      -0.09436795      -0.36463000       0.22794425
Cl       2.40625999       1.20425994       7.77696004      -0.36526926       1.02760166      -0.42992837
Cl       2.72234995      10.60109994       5.08489003       0.33132435       0.21228484      -0.09952780
Cl       1.38937997       0.28283494      11.80649999       0.36283839       0.08005267      -0.00500922
Cl       2.97533996       4.15349004      11.09889996       0.26095306       0.07528815      -0.42732609
Cl       3.50889997       3.00887994       2.46363997      -0.53646316       0.82526151       0.39471038
Cl       1.94264006       7.17576995       9.90765999       0.01928134      -0.02321357      -0.07766207
Cl       8.39120997      11.18979998       6.48556000      -0.11986655      -0.17787356      -0.10404571
Cl      10.24409996       1.75661996       5.59595005      -0.91383526      -0.80534877       0.96684074
Cl       3.53730001       6.04428003       6.90302004       0.49527200       0.74821700       1.07309732
Cl       7.71677005       7.96656994       4.22153002       1.63167043      -0.97500186      -1.59097918
Cl       2.92912996      11.05850003       8.86772999       0.02472127      -1.35900191       1.23985122
Cl      10.34530005       4.54557005       4.18208999       0.24568607       0.30251509       0.04302900
Cl       8.62732998       7.19774002       0.23894705      -0.80013084       0.14584654      -0.86395443
Cl       0.58169799       2.41725001       5.11907995       0.80604011       0.08572726      -1.33549274
Cl      12.29839995       3.46306000       8.27325005       0.06669829       0.51347953       0.88152536
Cl      11.18550004       4.54146004       0.21341103       0.68986614      -0.40880335       0.97421105
Cl       7.92248997       0.68239895      11.58939996      -0.01096551       0.25298072       0.59040400
K        2.08721995       9.63694003      11.66590000      -0.15850470       0.06231458      -1.08181186
K        7.47961999       1.33076006       2.07605994      -0.25298965      -0.35082866      -0.19612320
K        5.55602994       6.35767999       1.44954004       0.35451158      -0.08977405       0.12415291
K        2.96017999      10.79900003       1.48821997       0.21769942       0.70218550       0.46665096
K       11.06190003       0.12946901      12.26220002       0.03655219       0.11139907       0.25279945
K        0.07767800      12.07049996       4.43164997      -0.41120150      -0.45613407      -0.05927915
K        8.77824002       5.08583995       1.95936998       0.41682603      -0.28880517       0.15193865
K        5.26607004       0.19458995       4.83522000      -0.08523298      -0.19911056      -0.06539156
K        1.55039006       7.53812997       5.51508003       0.34875918      -0.10676269       0.33012486
K       10.30309999       8.76740006       1.89217997       0.33027540       0.21839604       1.10926608
K        9.84239998       5.11809002      10.63269995       0.61556641       1.05038194      -0.05575068
K        8.82030000      12.28100003       9.21721000      -0.01273474      -0.20127062      -0.96051009
K        7.47865000       5.01959998       6.19872005       0.24672458       0.64879160       0.68937645
K        7.81159002      10.12010002      12.46210003      -0.24910413       0.26510025       0.22026945
K        4.70413006       0.32619303      10.45079996      -0.06847899      -0.77198740      -0.74118395
K        3.36950002       3.94625002       5.33504997      -0.06949887      -1.52201251      -0.99968067
K        5.45139994       8.63575003       5.11357996      -1.85852215       0.72429286       0.63593550
K        6.02214994       3.78799997      10.30579994      -0.41032086      -0.31184830       0.06302799
K       11.44849998       8.82217006       9.24785996       0.16931187      -0.48851536      -0.05858320
K        1.60540994       6.22900996       0.43270394      -1.67521486      -1.81985524      -1.01613157
Li       2.48731994      11.74769999       7.02375994       0.02000964       0.04200222      -0.76051275
Li       0.97732704       0.46043499       9.38100005       0.11926755      -0.55745306       0.79102281
Li       1.65378997       4.70764995       8.99003996      -0.21686938       0.17538789       0.22140375
Li       8.63642003       9.03100994       5.78491001       0.18726981       0.55051528       0.74953939
Li       8.39807004       2.17407003       6.98433997       0.45825429      -0.13318607      -0.05770916
Li       3.22682994       2.56406001       0.00555287      -1.31063560       0.55282660       0.59453769
Li      11.24800001       2.26104998       3.68008998       0.05874122       0.59500640       0.35100438
Li      11.16599999       5.20540996       6.13662998      -0.21431785      -1.45833710      -0.71603175
Li      12.61357835       1.76771006       7.05069995      -0.12980542      -0.08428619      -0.08828100
Li       4.07272995       7.39445003       8.76491994       0.01623432       0.35453356      -0.01421320
60
Lattice="12.62016507 0.0 0.0 0.0 12.62016507 0.0 0.0 0.0 12.62016507" Properties=species:S:1:pos:R:3:forces:R:3 energy=-532.09047698 stress="-0.01890376654284032 -0.0015001056243099564 -0.00250613419761118 -0.0015001056243099564 -0.006065316191636692 -0.011657632446711084 -0.00250613419761118 -0.011657632446711084 -0.02581386611380518" free_energy=-532.09047698 pbc="T T T" config_type=melt 
Cl       8.84115003       6.56644996       0.16756197      -0.79917419       1.01419333      -1.34145945
Cl       8.02702003       4.94210005       6.23110996      -0.74596296      -0.27959717      -0.56684420
Cl       4.21061005       4.19766996       6.87709999       0.38601451       0.21322079       0.01703286
Cl       7.42091994      11.12300006      10.34200000       0.61799424       3.38662958       0.56648121
Cl       1.86640997       2.16804996       3.35743994      -0.84702206      -0.46509747      -0.07848729
Cl       4.96433994       7.37103003      10.41410002       0.25836221       0.07437968      -0.06796930
Cl      10.86789995      11.05170004       8.86658004      -0.27289488       1.85117474       1.25015168
Cl       3.11151003       8.26940998       6.75996997       0.16606929       0.69859681       0.10254965
Cl       8.53356001       1.00141994       5.98663995      -0.19346869       0.77328037       0.93863041
Cl       2.39265003       8.56970997       3.37328002      -0.19290683       0.20410528       0.08352201
Cl      10.13229993       7.79892001       3.08599003       0.39193895      -0.74462148      -3.01581067
Cl       8.98216006       3.02783997       3.28242000       2.04334865      -0.51521424      -1.69487426
Cl       0.15701404       1.29275002      11.74600006      -0.45810261       0.28492402       2.01608495
Cl       5.56008998      10.40650003       7.21482002       0.08632944       1.44320970       0.51962061
Cl       9.37073002       9.30516006       6.43378994      -0.46136848       0.56212597       0.18447452
Cl       9.79568997       2.40667002       9.06872997       0.30247704      -0.50285624      -0.31347398
Cl       5.36555998       2.57174998       3.90920996      -0.01469432      -0.15569452       0.01644427
Cl       0.50466500       3.88468002       6.96670998       0.97083884      -0.48089082      -0.28051926
Cl       1.23534000       9.52501999      12.07740004      -0.15138073      -0.02008962       0.24548380
Cl       0.90139996       0.53989697       6.67986006       0.16838013       0.00006195      -0.97671557
Cl       3.75509995      11.77549995      12.27060000       2.58512393      -0.33795905      -0.56983599
Cl       3.38125003       1.55448000       9.60284994      -2.67361004       0.86853668      -2.61100300
Cl       7.77196005       2.39765998      11.67030002       0.48090622      -0.10601845       0.17543596
Cl       9.26812997       6.71713006       8.59408998      -1.05382421       0.81312832       1.67823989
Cl      11.74249998       5.43663006       0.93101002       0.66449478      -0.16604660       0.15242719
Cl      11.89849999      10.92450000       3.18311003      -1.52366508       0.48111100      -1.04712624
Cl       0.09243930       7.72199000       8.51497997       0.18177586       0.33182754      -1.03760522
Cl      10.63070004      10.29550000      12.56595553      -0.66354507      -0.01399598       0.19335310
Cl       4.31332002       4.92768000       0.78440194      -1.53380909       0.15104366       1.30894762
Cl       6.55166998      10.08309997       2.86961995      -0.56064772      -0.61087911      -0.47737206
K        3.13963003       9.60021005       9.19958998      -0.28064556       0.02487894       0.84367635
K        6.73503997       4.81819994       0.22061096       1.54581769      -0.36612855      -0.11595946
K       10.99119997       8.41503003      10.58119996      -0.12556274      -0.41340253       0.12078151
K        9.83105003       0.09593976       0.85436094       0.33253285       1.30268876       0.18634248
K        6.98290001       9.17364001       8.97196006       0.84779945      -3.32156711      -0.68397273
K       10.78050001       5.11541998       7.18407995      -0.30586300       0.01225223      -0.31825427
K        6.49907001       4.82666997       8.89513001       0.23244090       0.01535805       0.01615223
K        8.08560006      11.85980000       4.16264004       0.51705880      -0.51533553      -0.48511103
K       11.82340003       2.13530997       4.69185001       0.15558919       0.22726422      -0.46885342
K        7.52969996      10.11300004       0.12330406       0.05419100      -1.05617395       1.14029060
K        0.95884203      10.87199999       5.06663004       1.38275324      -0.48573323       1.00666271
K        1.73034995       4.84856002       0.22945795      -0.73340724      -0.41348496      -0.66094600
K       10.32749994       4.48133000      11.19070005      -0.11806541      -0.25145364      -0.15750373
K        4.52019999      10.17970001       4.92079999      -1.09340528      -0.23344139      -1.92033092
K        3.70791997       8.70296995       0.86327406       0.31529011      -0.05302279      -0.50949983
K        5.62454999       7.18703004       6.38538996       0.71878293      -0.68794564      -0.12829436
K        5.42834000       1.13670003      10.75200002       2.57135655      -1.05405372       1.87167205
K        1.50390999       6.70138994       5.43160004      -0.84127248      -1.14870706      -0.08694773
K        0.62833795       0.61978199       9.31693000      -0.16678214      -0.41484018      -0.11227210
K        5.33635994       0.94369102       6.56862996       0.13354439       0.39027895       0.02812671
Li       2.70751002       2.69053994       7.34308002      -0.88496063       0.15515390       0.33856468
Li       1.95495999      11.92220003       0.29736706      -2.59273698       0.16185642       0.26777103
Li      11.26899997       9.62840993       7.55667998       0.33279112      -1.65839693      -0.53217314
Li       3.25710004       3.64751002       3.11827999       1.46877109       0.14799066      -0.12730465
Li       9.24709998      12.56596840       9.88671998       0.11302599       0.12621020      -0.26541976
Li      10.12290006       8.55723001       4.70150999       0.09813089       1.59453830       3.10047656
Li       7.45782004       3.33136996       4.45816001      -1.40721128       0.51401910       1.47751138
Li      11.87780001       9.35315997       1.57129006       0.15359224      -0.17212987      -0.17095858
Li      10.24459997       1.38463996       7.15082998       0.23067378      -0.04916950       0.78529522
Li       9.99381003       6.25652003       1.80151001       0.18779338      -1.13009184       0.19069494
60
Lattice="12.62016507 0.0 0.0 0.0 12.62016507 0.0 0.0 0.0 12.62016507" Properties=species:S:1:pos:R:3:forces:R:3 energy=-534.83609882 stress="-0.00944597627597588 -0.0030547556845238423 0.00272472036061806 -0.0030547556845238423 -0.00397079668833475 -0.0017143301770491048 0.00272472036061806 -0.0017143301770491048 -0.01594229122332728" free_energy=-534.83609882 pbc="T T T" config_type=melt 
Cl       9.43008997       8.08818000      11.51519995      -1.17146465      -1.04642208       1.11548738
Cl       8.61575994       2.72343995       4.15761999      -0.60018689      -0.27034642       0.44594399
Cl      11.96560002       7.94053997       2.74915997      -0.42938932      -0.11274132      -0.52905531
Cl       4.10729002       9.77129002       1.28917005       0.48726877       0.60070247      -0.07286392
Cl      11.72650001       3.30310003       2.25414006      -0.79839306      -0.54766118      -0.53492588
Cl       4.11266999      11.45540006       9.45442998       2.20052248       1.13143585       3.57799812
Cl       9.75789005      12.19270001       6.79265998      -1.02219023       0.02701379       0.97715421
Cl       3.17446004       1.16385005       7.20256004      -0.91587665      -0.02783911      -0.09706475
Cl       7.40453000       4.84931004       9.60495006       0.38040284       0.30899807       0.00249091
Cl       8.21174996       6.97949004       4.31975996      -0.43368651      -0.59603021      -1.60163278
Cl       6.56832001       8.96997996       8.66148999      -2.90639804       0.99655425      -1.08383415
Cl       8.61430004      11.07860004      12.19849999       0.03641970       0.60673553      -0.04841608
Cl       1.15896996      11.18390005       6.94487999      -0.26515625      -1.16504545       0.17138461
Cl       5.89276005       1.65733005      10.22609994      -0.22502930      -0.04663682      -0.22213367
Cl       2.63868999       7.83353005       4.43983995       0.23922775      -0.10920093      -0.04687037
Cl       1.42194997       5.60763001       0.07365759      -0.27157877      -1.24986994      -0.85690172
Cl      10.92760002      12.10079997       3.32830995       0.06114795       0.18929857      -1.85759973
Cl       3.82920001       1.08243004       3.14778000       0.09413980      -0.29376727      -0.07563944
Cl      10.00389998       2.34968001       9.24124005       0.01397005      -0.32428904      -0.29717920
Cl       6.02976002       6.14786003       0.63881294       0.48840270      -0.91529125       1.89521368
Cl       8.94146002       2.18611005       0.37916100      -0.04564920      -0.44557688       0.49191111
Cl       3.12533996       4.66726996       9.00579005       1.20053111       1.86136899      -3.01243420
Cl      10.03629998       8.71519005       8.70950997       0.70085611      -0.34475754      -1.45047611
Cl       5.06181999      10.13970002       5.67730001      -0.14853019      -0.01763006       0.51065697
Cl       1.01372006       7.65096006       8.76863999      -0.06343678       0.14555658      -0.44107401
Cl       0.50192403       2.29725004      10.09320001       0.75743712      -0.12604002       0.39371005
Cl       5.09768006       3.69736005       6.50369997       0.72851929       0.17904537      -0.28138829
Cl       7.17260002      11.53819995       2.51517000       0.08157964       0.00319124       0.44290745
Cl      11.51079993       5.20274003       6.10481997       0.21894984       0.46979289       1.31175277
Cl      12.42479999      11.12460004      12.24620005       0.20545635      -1.96568931      -0.11475195
K       12.45530003       8.30638997       5.49380004       0.29792511      -0.12306784       0.56166971
K        1.55078999       3.96925999       2.89978997       1.32005945       0.38774359       0.28783753
K        5.43513999      12.20490005      12.48159995       0.20874452      -0.20156229      -0.00435585
K       10.10139997       5.09233996       3.83830003       0.37891693       0.37407096      -0.99299417
K        0.11515106       1.06795004       7.33457996      -0.08301076       1.33612609       0.58583081
K        4.10318001       6.82544994       6.92976003      -0.14931509      -0.38005591       0.17099695
K        5.77726005       7.91462004       3.03572997      -0.59020332       0.07977188      -0.06978509
K        9.97234994       4.81751000      12.08329997      -0.23291865       0.01826838      -0.25743669
K        8.93875994       9.00997995       1.81835995       0.31132623      -0.26722630      -0.19559596
K        6.33521004       2.68867001       2.47782996      -0.31407321       0.03656375      -0.28323397
K        2.25705001      11.27529996       4.37906994       0.33887065      -0.04454999      -0.72758145
K        2.29075002       7.71948995       1.37770001      -0.33575350       0.63186996       0.90793620
K       12.06510005       7.77949000      11.14680005       0.84838989       0.22183018       0.39855648
K       11.79210001       0.94756995      12.41090002      -0.25823278       2.32254365       0.03711462
K        1.58553002      10.97419998      10.00469997      -1.20010648      -0.19375601       0.23466653
K        8.21022999       3.49885003       6.75621004      -0.19654761       0.40173813       1.07159053
K        5.29454997       7.30351000      11.13419995      -0.46726801       0.58072695      -1.59621229
K        8.12267999       8.42012996       6.36629994       0.08900479       1.53096164       1.47951536
K       10.04040002      11.80200002       9.63447998      -0.06400698      -0.22743734       0.37884594
K        5.72913002       0.30994494       7.33539005       0.91011410      -0.00141618       0.00846885
Li       4.10504994       2.73165000       8.65133997       0.43689686      -0.10949937      -0.57503605
Li       5.45012997      11.34310003       3.96045995       0.14510203       0.67287406      -0.93595287
Li       2.57103997       4.04350997      10.61010002      -2.14598290      -1.31154085       3.72998835
Li       9.95743001       2.05080004       2.78363006       0.59061760      -0.58726599      -1.00902220
Li      11.08230002       6.58292003       8.08636004       0.46694311       0.05669186      -0.17823252
Li       7.99390004       8.21463998       9.60505001       2.80358473      -1.32631239       1.91139663
Li      11.01239996      12.21659996       5.29936002       0.69861692      -0.15112754       0.09127748
Li       3.58321999      10.76160005       7.86514003      -1.21508835      -1.35508079      -4.06479585
Li       9.70077005      11.99620000       1.35394002      -0.67955788      -0.00956143      -0.16587668
Li       8.01971005       2.33377002      10.03429994      -0.51091308       0.72282036       0.48804994
60
Lattice="12.62016507 0.0 0.0 0.0 12.62016507 0.0 0.0 0.0 12.62016507" Properties=species:S:1:pos:R:3:forces:R:3 energy=-530.42849555 stress="-0.021520281997863492 -0.005186858690929165 0.006980220229662211 -0.005186858690929165 -0.00853041995655614 0.007527782788378084 0.006980220229662211 0.007527782788378084 -0.016863880516811498" free_energy=-530.42849555 pbc="T T T" config_type=melt 
Cl       2.41838999       9.98181999      11.82400000       0.30847184      -0.29394829      -0.00362323
Cl       4.49418995       1.18648002       5.22347004       1.59709718      -0.28014270       1.08277380
Cl       1.43511002       1.38421996       0.81969802       2.54331145       1.12758896      -2.00948721
Cl      11.94970000       8.05190005       1.58128005       0.05358477       0.39066064      -0.19177281
Cl       5.92669000      10.64640003       7.58689000       1.59846961       1.03203005       0.20779573
Cl       5.07092001       2.92587005       9.23041006       1.05937613      -1.08615205       0.60083893
Cl      11.25580003      11.44190002      11.59260006       1.52145271       0.69186909      -0.86459537
Cl       8.35094004      12.43360609      10.93200004      -0.84501033       0.72452859      -0.90689283
Cl       5.75974995       7.49213995       8.98864998       1.01268427      -1.22113190      -0.13712776
Cl       9.75757000       8.73313997       9.74457994      -1.74711193      -1.28585937       0.67546923
Cl       1.03007996       8.08985002       7.31861003       0.98745783      -0.98008786      -1.86652080
Cl       2.43525003      10.87259995       3.05532997       0.11112759       0.31187181      -0.11723520
Cl      10.87350002       0.21460401       2.49749003      -0.74094287      -0.86568591      -1.38041675
Cl       7.74798994       5.02282002      11.65759997      -0.31025309      -1.24853000       0.67491948
Cl      10.92039996       4.55066999       0.81242300       0.71406361      -1.33338966       0.11414686
Cl       2.05732000      11.94379994       8.71575998       0.78861580      -0.19926135       1.77032529
Cl       1.60827004       5.71382996       9.95269997      -1.29986988      -0.41946373      -0.47418915
Cl       6.17909999       7.28911001       4.70876002       7.05773737       1.26918020      -2.40082412
Cl       8.40441003       2.74948999       8.39237002       1.38642863       1.70183516       0.80506330
Cl       9.53881004       5.41763999       5.79734996       1.17182303       0.71840379      -0.48469215
Cl       3.83250006       4.28148994      12.25986403      -0.15468580      -1.66886979       0.75651277
Cl       4.12484997       5.19951003       5.51766994      -0.11589280      -1.05258251      -1.36664741
Cl      10.23309997      11.15189998       7.74160994      -0.97992563      -0.34022999      -0.79022081
Cl       3.69758999       9.22011996       5.93189001      -0.53575018      -0.24519997      -1.07358086
Cl       2.66780004       6.34041005       2.27543002      -0.30046503       0.10006581       0.17917787
Cl       6.69188001       9.12386003       0.03643492      -0.27229622      -0.30073367      -0.54826152
Cl       5.31590998       0.54289805       1.21569003       0.06801820      -0.78147925      -0.50407928
Cl       9.55814994      10.22520000       4.10053003      -0.46979521      -0.45440637       0.06898345
Cl      12.48750000       1.02449995       7.40935999      -0.47245024       0.41907101       0.12646368
Cl      11.83759999       2.80660999       3.56777001       1.13356702       0.80951583       0.33482022
K        4.88853995       8.59885005       2.04152006      -0.70448716      -0.27884427       0.15212742
K        5.68645998      10.82880003       4.62721003      -0.06214715       0.14605959      -0.11164448
K        2.49712998      12.53521344       6.17234000      -0.81188941      -0.35429644      -0.59204558
K        7.04192995       5.13445005       6.43834001      -1.46228175      -0.50334990       0.50856571
K       12.21390000       8.43014003       9.30022002       1.00488988       0.17680348       2.05070127
K        8.51890005       8.51193005       6.19121005       0.03568580       0.07531506       0.50402231
K       11.48229994       3.58709994       6.92138995      -0.00927157       0.22364285      -0.40805312
K        7.38984998       0.81438506       7.11775000      -1.10942194      -1.71380125      -0.71242212
K        3.87109000       6.64279994      11.11650004       0.44523927       1.21652847       0.48170242
K        3.72973002       9.45051003       8.73290006      -0.89468630      -0.10362598       0.66554458
K       10.52609994       1.55893996      12.54540006      -0.22229460       0.15458251       0.08301669
K        9.11707000      10.35639999       0.12315199       0.24917753      -0.31880753       1.11670790
K       10.05110003       6.40115002       2.64229002      -0.67383202      -0.22187860       0.94440735
K        1.06770004       8.18967994       4.32987995       0.29965034      -0.16308422      -0.36626005
K        4.84331003       0.17243487      10.78839998       0.06866801      -0.30108723      -0.00425061
K        3.51588006       4.61690995       7.91529004      -1.23451034       0.44667599       1.14701082
K        1.73130000       2.21604003      10.67040005       0.29637216       0.37075578      -0.39676263
K       10.24470005       6.11325995      11.45199993       0.63806606       1.12308072      -0.79479992
K        0.29563494      10.69970003       6.86568997      -0.43804724       0.41655468      -0.37012891
K        4.77902001       2.43325995       3.05228006       0.03599115       2.29159633      -1.26740101
Li       4.52703999       7.18717000       5.14673994      -6.23232475       0.39214120       1.71988669
Li       9.90283000      12.32590005       4.15382006      -0.16836936      -0.21540396       0.96144053
Li      10.50069997      12.60469111       9.22836004       0.32971924       0.06568693       0.80047712
Li       0.11353492       0.90289999       2.01531997      -1.77150479      -0.40196876       2.78221274
Li       7.25919997       5.84337003       9.89646994      -0.91588630       1.06045169      -1.04762654
Li       1.22186003       4.06710994       1.92301002      -0.21177911       0.40112898       0.00392466
Li       3.16130996       0.04423494       1.62176996      -0.16719240      -0.72969908      -0.02093088
Li       8.21181004      10.08670000       9.69582004      -0.97476353       1.01012926      -0.20392883
Li       7.35265002       2.82008000      10.35530002      -0.50616431       0.19736989       0.16961912
Li       1.05050999       9.00689003       0.66702797       0.29855679       0.29787723      -0.07223602
60
Lattice="12.62016507 0.0 0.0 0.0 12.62016507 0.0 0.0 0.0 12.62016507" Properties=species:S:1:pos:R:3:forces:R:3 energy=-532.89021806 stress="-0.01871522972606342 -0.0012753684665425373 -0.0034899280063193394 -0.0012753684665425373 -0.012792164006092082 0.0009569823015108124 -0.0034899280063193394 0.0009569823015108124 -0.008955311539145885" free_energy=-532.89021806 pbc="T T T" config_type=melt 
Cl       7.62487001       6.60601998       5.32772005      -0.92461806       1.47715573       2.81037150
Cl       4.22287003      10.33479995       4.30514998      -0.11842297       0.04675193      -0.00780673
Cl      10.44360003      11.30349997       4.39533998       0.24286668      -0.39062551       0.54586473
Cl      11.12889998       2.20502995       6.07094997      -0.72308493       1.63559959      -0.57358011
Cl       8.74009002      11.76770005       7.82516995       0.39709862       0.10578677       0.88237823
Cl       5.37307995       4.07279002       5.08880998       0.41305733      -1.02668854      -0.20397599
Cl       9.77581006      11.34379994      11.33489995       1.64843173      -0.19609196       0.34766437
Cl       7.73543995       0.07482938       3.26492000      -0.39404779       0.81108894      -0.02458146
Cl       3.31125998       0.95619495      10.83670000       0.78243267       2.20022738      -3.17800036
Cl       3.16212004       4.77632005       9.13998002       0.13662446       0.10982700       0.31386687
Cl      11.99859998       8.33795994       7.77878996      -0.16125657       0.06880169      -0.23276342
Cl      10.78679999       6.10819006       4.51707006       1.10980836      -0.54635497       2.02078450
Cl       3.27588995       7.67569003       5.96357003      -0.26339255      -0.23528485       0.20509414
Cl      12.40040004       3.14438997       9.12054004      -1.10914772      -0.37402964       0.46983158
Cl       6.56283996       9.07825996       8.61963004       0.55759625      -1.26605124       0.28706860
Cl       3.50909003       4.13248996       1.73323997       1.61729752       0.25871534      -0.45734841
Cl      12.57689999       6.43073005      10.56480006       0.50299448      -0.25973658      -0.35705962
Cl       9.46395997       8.96287001       0.90652501      -1.06860712      -0.44627361       0.35333140
Cl       5.04716003       0.14193496       6.89585999      -0.03452596       0.02065246       0.26630645
Cl       2.24286003       4.45823005       5.77207001      -1.13278946      -0.02451453       0.14740523
Cl       0.60045105       0.61007897       0.88093295      -1.51629757      -0.83616139      -2.30956116
Cl      12.58629999       8.81078995       1.73461998      -1.14185097      -1.24565456      -0.60679579
Cl       2.49380002       0.34738594       3.02661001       0.47461721      -3.12334400       1.87765233
Cl       6.81591995       0.05533450      11.43190005      -0.48617357       0.31332813      -0.27750289
Cl       6.11025005       6.73932994       1.20066004       0.78120926      -0.15193210       0.08309391
Cl       1.87163005      12.05230005       7.22142996       0.41308393      -0.78835632       0.22354325
Cl       0.88030699       3.51468997       2.57585002      -2.33330204       0.97779513       1.10367989
Cl       8.00166006       4.75216001       9.96369996      -0.06433751      -0.16291133      -0.22780571
Cl      10.00339997       4.29170003       1.36267999      -0.11083126      -0.49280961      -0.32145309
Cl       3.54166999       9.74880997      12.39639995       0.09550008      -0.29069408      -0.20645071
K        8.58903005       9.14347997       6.68629003       0.62461780      -0.05848500      -0.03897743
K        2.09668002       2.13241995       8.07715994       0.56173586      -0.18062091      -0.33135259
K        4.95567001      10.89849994       9.48752005      -1.02769526       1.74141600       0.77871465
K        9.78591994       4.51956002       7.43382002       0.12255927       0.33112238       0.15487648
K        7.52847997       0.92943704       6.15921995       0.98043447       0.40737804      -0.97320553
K        0.66272500       3.97252003      12.03400005       0.12073183      -0.07104163       0.55757778
K        8.56574004       5.89971995       3.21263995      -0.50092085      -1.26906248      -3.84876332
K       10.53809995       1.84133004       3.26709003       0.10591465      -0.06986168      -0.48962213
K       11.83999997      12.55419997       7.10301003      -0.69015072      -1.48534408       0.25515266
K        6.75999003      10.06009997       3.53625998       0.80224180      -0.27823714      -0.56967563
K        8.10282999       7.77550001      11.35250003      -0.36378889      -0.40710368      -0.29689220
K        2.89985005       7.94598998       9.33497999      -0.21436673      -0.40706900      -0.22812697
K       10.29230003       1.52010002      10.69649994      -0.22239786       0.23498323       0.21153273
K        2.07199006       9.90418995       2.45035005       1.83413741       1.44039696       0.77426333
K        6.23235999       3.94378000      12.32720005      -0.10712796      -0.15889588       0.17090709
K       10.40269997       8.42697994       3.50570997       0.02099783       1.65593174      -0.30918375
K       11.04470001      11.27770006       1.55938003      -0.16843430       0.54126420      -0.18305890
K       11.59199997       8.93051001      11.55060002       0.29667627       0.03742005      -0.23999278
K        4.69465004       1.45270998       3.63035997       1.60804327       0.68040033       0.31612922
K        5.27481001       2.74394002       7.89419998      -0.08075552       0.95599015       0.61815940
Li       8.09376997      11.41999999      10.21249995      -0.66653911       0.11110145      -1.01532685
Li       2.90747994      12.51800004      12.26723912      -1.10825599      -2.17107067       3.14379203
Li       4.37174999       7.78037997       0.84020995      -0.68878095       0.53060715      -0.37109036
Li       1.80587003       1.76060995       2.01691995      -0.20663801       2.34498644      -0.91600732
Li       0.61934798       7.61069996       6.15744997       0.70546060      -0.07380758      -0.08972122
Li       5.53158001       6.08861000       5.52549003      -0.52509486       1.10860350       0.64274720
Li       3.66896001      11.27670004       6.18569995      -0.49915116      -0.24049167      -0.32213044
Li       0.89214799       4.91832000       8.68170005       0.34433118       0.85982413       0.22810107
Li       3.45961999       5.10780005       3.90897005      -0.40797588      -0.64298338      -0.10335294
Li      12.25140107       4.72861999       4.41942002       1.76025931      -1.63556626      -0.47872481
60
Lattice="12.62016507 0.0 0.0 0.0 12.62016507 0.0 0.0 0.0 12.62016507" Properties=species:S:1:pos:R:3:forces:R:3 energy=-535.59794763 stress="-0.004517348809138234 0.0060518778230320815 -0.0008129038541017263 0.0060518778230320815 -0.00521839141294253 -0.0027195877866600816 -0.0008129038541017263 -0.0027195877866600816 -0.006176246620712144" free_energy=-535.59794763 pbc="T T T" config_type=melt 
Cl       1.03724998       0.90063896       7.61409996       0.72264104      -0.55377043       0.41634985
Cl       8.89345001      11.00890001       8.52318005       0.52354353      -0.03905659      -0.12965118
Cl       7.55017996       4.95782995       4.76861001      -0.77138954       0.39538462       0.17418950
Cl       8.16628998       8.43119002       4.78976999       1.11999272       0.17733465       0.52142661
Cl       2.80785005       4.51218000       3.40165002      -0.39661862      -1.27946723       0.55321057
Cl       7.42943994       0.96646499       4.79172006       1.09715246       1.67800821       0.71524697
Cl       7.67373996      11.36950002       1.71158995       0.49537438      -0.13221116       0.17855459
Cl       3.00370997       8.09817996       6.77128003      -0.20366478       0.28171468      -0.44470202
Cl       9.87630001       3.65883005      11.88640003      -0.29421336       0.24477751       0.05976307
Cl       4.36440001       9.60514996      10.12799999      -0.59026334       0.90319494      -0.36143933
Cl      12.16379996       0.02742084       3.33643002       0.06075857       0.38708829      -0.57519901
Cl       0.57449200       9.94782997       8.52185001      -0.39937350      -2.21973898       3.46959003
Cl      11.63190001       0.44735797      11.23319997       0.45122822      -0.46432621      -0.74039862
Cl      10.78200004       4.27921995       3.70234994       0.18473905      -0.03842603      -0.17866743
Cl       7.02109001       7.06159999       9.28767002       1.01554771       0.06210336      -0.74752736
Cl       0.10396997      10.16350001       5.59637005      -1.20734116      -0.46324207      -1.17282385
Cl       9.03496005       2.28084004       7.65576998       0.87272417      -0.59851375       0.24432994
Cl       6.88989002       0.63020599      10.39950000      -0.63640388      -0.50583495       0.09078463
Cl       1.53026998       8.94931999       3.32584006       0.39335971      -0.52108651      -1.89338080
Cl       0.40768194       6.06287003      10.23590001       0.31921864       0.65764165       0.26713970
Cl      12.49619996       6.35430006       1.05604999       0.55705473       0.00788021       0.89793702
Cl       4.03628001      12.40479993       4.46731001       0.64778403      -1.77396200       1.02164653
Cl       4.97044999       8.72405004       0.57144802      -0.00355063       0.18882545       0.89039005
Cl       4.97452997       5.77223003      11.47229998      -0.65761816      -0.66138229       0.14922897
Cl       7.64699997       6.63063006       1.21280001       0.30529712      -0.02935869       0.49123765
Cl       5.24397996       1.75655004       1.76823001      -0.25035050       0.56044589       0.30389739
Cl       0.16062403       5.23456998       7.38586995      -0.50550512      -1.13272805      -1.53434061
Cl       4.57615994       2.65217994       7.58294002       0.35326614       0.56244644      -0.04155740
Cl      11.13400004       9.59342002      11.91180000       0.20613989       0.30514591      -0.01065052
Cl       2.51394004       1.93733000      11.87520001      -0.32341186      -0.95390169       0.81162053
K       11.08750004       9.29993998       2.87769005       0.10729310       0.20358610      -0.14908170
K       10.73009999       6.71505997      11.63600005      -1.02513042      -0.20940086       0.00485842
K       10.32409994       1.23504999       0.89557601      -0.76757113      -0.17465493       0.87164281
K        8.29138005      11.20059994       5.22281001       0.47745345      -0.73978728       0.22475173
K       11.75269998       3.13318996       9.79551998       0.27196054      -0.07472687      -0.31205597
K       10.07419998       8.44731001       7.47025999      -0.13249223       0.15444361      -0.07250044
K        4.98862997       5.18088998       2.21228995       1.53701567       0.26485732      -1.31123785
K        0.81190002       3.45068996       1.37136998      -0.36619275       0.23535237      -0.16554056
K        7.75930998       9.37598997      11.63379998      -0.32444003       0.33565921       0.26210945
K        1.21549997      11.35070002       0.24127004      -0.39452797       0.40102028      -0.11646529
K        2.18752994       1.43615005       3.84140005      -1.09387332       1.16164971      -0.08347453
K        2.35388997       8.13673002      12.23240002      -0.22401082      -0.53164739      -0.19036172
K        0.83673701       6.07712994       4.15712995      -1.16670121       0.87481835       0.50578187
K        2.53464998       4.24080998      10.55109999       0.68130831       0.49831703      -0.81916335
K        4.73033999      11.49340001       1.81368999       0.50637032      -0.48641317      -0.65601196
K       11.56749994       1.79604005       6.24130996      -0.66477270       0.46195379      -1.14851608
K        4.48128003       5.72426003       6.79953999      -0.01251555      -0.52974832       0.09048444
K        3.88708000      12.15060003       8.21323006       0.21075754       0.18962359       0.25393485
K        7.51059000       4.42929000       8.06506995      -0.89041651       0.95756758       0.82120706
K        6.37908998       2.80136001      11.90919999      -0.08880038       0.77694862       0.29096577
Li       5.19426004       7.69004004      10.24010000      -0.05825586      -0.42920147       0.42033786
Li       8.58956994       0.62444198       9.26056001       0.55238817      -0.41396623      -0.48509064
Li       0.55273105       7.15979005       8.00524999       0.99743358       0.96927166       0.59719057
Li       9.14091000       5.69275997       2.57215004       0.21639828      -0.54587818       0.30830478
Li      11.65129998      11.03390005       9.97212000      -0.24285011      -0.04063294       0.22522135
Li       6.57650002       7.47387996       3.98449998      -0.16187639      -0.58184146      -0.83644663
Li       7.92786995       3.03341998       5.87033995      -0.10246165      -0.84234645      -1.10634596
Li       0.62583197      11.25430000       7.17358994       0.25829270       2.70611947      -0.97031806
Li       5.69174001       1.17623005       3.87432997      -1.06046587       0.30775965      -0.76796200
Li       2.64543004       9.95155999       4.79128997      -0.12543441       0.05631199       0.88757629
60
Lattice="12.62016507 0.0 0.0 0.0 12.62016507 0.0 0.0 0.0 12.62016507" Properties=species:S:1:pos:R:3:forces:R:3 energy=-533.97788494 stress="-0.013185605498007779 0.003118572506385184 -0.0027114767770302496 0.003118572506385184 -0.012390269675816256 -0.0012783209749854813 -0.0027114767770302496 -0.0012783209749854813 -0.008522066283293004" free_energy=-533.97788494 pbc="T T T" config_type=melt 
Cl       4.50131000      10.16049995       2.43224996      -0.40543155      -0.76478874      -0.77828964
Cl       4.76822005       9.75287000       8.76187003       0.14926700      -0.01683466       0.27384796
Cl       0.24456706       6.86001001       8.20586001      -0.55764418      -0.30406445      -1.08769998
Cl      11.28729997       4.73713002      10.47589996      -1.17579486       1.81120383       0.10018776
Cl       3.22505996       7.22375005       4.41250000      -1.34677613       0.03066699      -1.36676102
Cl       7.34748004       2.04566995       5.21340003      -1.18810736       2.26934550      -0.44541528
Cl      10.38419994       0.74791200       9.81175001      -0.02023826       0.78494403       0.53436876
Cl      10.07759997       7.83463003       4.99904994       0.22419668      -0.62557695       0.28402060
Cl       9.90277005       5.01820003       2.31334996       1.60470218      -3.73625773      -3.27500569
Cl       1.66234998       8.60864002      10.49699999       1.78915165       2.35138446       0.97489192
Cl      10.71449995       1.69303995       0.52551301       0.11816960       0.28774785       0.00634018
Cl       1.20327999      11.78950000       6.73419997       0.24104008      -0.35059735       0.42537919
Cl       2.43865003       1.52270002       9.83508003       0.84940949      -0.38983299      -0.58237234
Cl      11.14130005       4.46216994       5.39790003       0.37542904      -0.22658475       0.38755018
Cl       7.62193999       9.94646005       0.43273801      -1.00130307      -0.98175209      -0.49204405
Cl       2.08822994       1.50650002       2.41868997      -0.00458550      -0.36112340      -0.21645832
Cl       8.24204997       4.37909998      12.00459999       0.23044340       0.12303621      -0.24561253
Cl       8.71269997      11.63669996       2.74785997       1.03824343      -1.28183443       0.22864543
Cl       6.97861003      10.05210005       5.86281997      -0.34098582      -0.69313736       0.17649366
Cl       4.02986997       5.67205999       8.64004000      -0.39614428       0.69073738      -0.04310859
Cl      11.13679995      10.35480001      10.02639996       0.40324004      -0.90820812      -0.19110925
Cl       5.86462996       2.20896996       0.02471382       0.27757163      -1.45701564       1.14305253
Cl       7.33615004       7.20010996       3.26301006      -0.13689794      -0.60450304      -0.09307784
Cl       4.52493999       6.39160994      11.58259997      -0.87544711       0.22271175       0.34430252
Cl       8.49083999       5.15176996       7.45385996       0.24079662       0.44613020      -0.12064880
Cl       7.15250998       1.63500006       8.93786996       0.10198427      -1.12472652       0.65190489
Cl      12.54789999       8.92301994       2.51538000       1.66994277      -0.35154322       0.54302484
Cl       3.66022004       4.06792999       6.04986003       2.07512514      -1.03897886      -1.49347770
Cl      11.14320002       0.76146000       5.38843996      -0.35327943       0.28688381       0.46775254
Cl       1.79492998       4.85620999       1.65579001      -1.08422031      -0.13521092      -0.24748675
K       11.29519994      10.28299998       4.97119004       0.45325643       0.93112466       0.29353215
K        1.48791002       4.05843004       7.21554997      -2.22594600       0.26905715       1.44873850
K        9.59557996      11.58549995      12.20899997       0.70962946       0.87221485      -0.34484763
K        5.10721005       7.08708994       6.09767001       1.40549652       0.20612811       1.21717276
K       12.27550003       2.90661004       2.72324005      -0.32654230      -0.03896471       0.43030042
K        5.51156999      12.02650001      11.09239994       0.00953023       0.07222971      -0.07570706
K        2.94176994       7.35618998       1.44187001       0.08533553       0.76706374      -0.38992543
K        0.31646503       2.89788004      10.83740004       0.65794788      -1.58777505       0.92784640
K        6.62775001       7.14557999       0.34925701       1.10713488      -0.33301767       0.06284160
K        1.27946994      11.12850005       1.67187997       0.47893013       0.82820520      -0.35965543
K        3.97325995      12.52049997       3.54099002       0.54522114       0.49461755       0.82978679
K       10.14189997       8.77916003       1.75131002      -2.22217636      -0.09457054      -0.47008477
K        0.34757500       6.38559996       4.23849998       0.15033415       0.31584887      -0.07307980
K        7.78049999       8.41777996       8.56319998      -0.16718899       0.20543502      -0.22901259
K        3.99099999       4.40541996       3.27314002       0.54877158      -0.31078798      -0.17750325
K        7.89021996       1.37787997       1.99021997      -0.13231870       1.59178991      -0.39813050
K        6.02657999       3.79403001       7.92768002      -0.13790847       0.68654206      -0.70067948
K        3.91931998       0.79248894       7.25653005      -0.12448236      -0.28716153       0.22719185
K        8.36127002      12.39150005       5.39179995       0.86737064      -1.65725673       0.73105018
K        4.46991002       3.50393002      10.88769998      -0.59678792       0.85535377      -0.61784315
Li       3.43418001       7.96470998       9.39957997       0.63457642      -0.53492123      -0.00734592
Li       9.08971996       3.46734000       5.61267000       0.00067834       0.22057662       0.26234377
Li       6.38033003       9.03796996       2.78893003       0.22895345       1.06363364       0.28876237
Li       8.96212996       2.55123994      10.37419998      -0.21146926       0.34921181       0.20978182
Li      10.69950000       0.94346297       7.78528001       0.39927630      -0.09844157      -1.17034341
Li       9.51687998       6.34915002       3.38704003      -1.66043553       3.73281834       3.81071434
Li       0.20655298       7.39912996      10.33529996      -2.20044253      -1.75144488      -0.43370476
Li       0.75426701      10.56560005       8.88418997      -0.24864714      -0.05318484      -0.05461719
Li      10.54110002       4.43835001       0.24079805      -0.73308247      -0.39000348      -0.87035524
Li      10.62609999       6.24662999       7.17492995       0.20312771      -0.27654158      -0.23042253
60
Lattice="12.62016507 0.0 0.0 0.0 12.62016507 0.0 0.0 0.0 12.62016507" Properties=species:S:1:pos:R:3:forces:R:3 energy=-535.69132278 stress="-0.0038123639683058847 0.0017267890281775359 -0.002077926925645475 0.0017267890281775359 -0.011101096788641893 0.00022700401146684868 -0.002077926925645475 0.00022700401146684868 -0.011252196222285557" free_energy=-535.69132278 pbc="T T T" config_type=melt 
Cl      10.54520006       2.07012997       4.07771996       0.00491622       0.88288262      -1.96777602
Cl       4.89163997       6.65730000       8.32224998      -0.03508895       0.83457768      -0.12972069
Cl       7.76097003       4.18073004      12.25949993       0.30810008       0.99219653       0.72264933
Cl       1.17889000       5.81001001       9.40373995       0.63058743      -0.34659965       0.42343815
Cl       1.22082997       1.11467999      10.08959998       0.12981297      -0.31691597      -0.22343821
Cl       7.73272005       0.52627199      12.01580000       0.67533237      -1.19733228      -1.50074932
Cl      11.64659998       0.27838797       6.37010997       1.38861045      -1.26407742       1.09846942
Cl       5.76435000      11.34299995       4.94563004      -0.34083442      -0.06942227      -0.10385445
Cl      10.23519996       7.67141999       1.76708006      -0.39813328       2.12614307       2.37563957
Cl       7.27065996       8.17879997       6.60449004      -0.30979860       0.30518624      -0.32059986
Cl      10.93800005       8.79598006       8.26948999       0.05487941       0.30094644       0.05279169
Cl       5.94581005       9.29661999       1.23887996      -0.20522870      -0.67018115      -0.43516103
Cl       0.85574197       8.66249998      12.21960002      -0.33185692      -0.29738591       0.49501564
Cl       9.56706003      10.15770004       0.01743488       0.02795301       0.75773039      -0.29478936
Cl      12.21520000       3.28350003       1.55443002       0.56423450       0.77789597      -0.32722161
Cl       4.77285001       3.75973004      10.25509995      -0.47640076      -0.34010442       0.09859434
Cl       0.28956401      11.97279995       3.15407002      -0.49077087       2.00697794      -2.82136204
Cl       4.32481005       2.86965996       2.69329997       0.25086727       0.27752667       0.33782476
Cl      10.62290002       9.72157994       4.48631005       0.45310286       0.85040100      -0.38646727
Cl      12.43570003       5.57983006       4.81594005       0.24368994       0.48095171      -0.00502944
Cl       1.93388002      10.09779994       4.47264001       1.70574876      -1.22465004       0.84950056
Cl       4.03695001      12.25289997      12.26690002      -0.15826033       0.07427120       0.32757796
Cl       8.41953000       4.83828001       4.20965003      -0.55351118       0.25354710      -0.05097127
Cl       7.80747004       0.69572900       7.67543005      -0.28074370       0.61862218      -0.08909195
Cl       3.05696996       3.62149998       6.72026995       0.21039318      -0.19518492      -0.11710341
Cl      11.32049996       0.12870297       0.27239099       1.24454330       0.21454971       0.82475033
Cl       3.26021002      10.97440001       7.72971001      -0.49198601       0.11691061       0.51298595
Cl      10.21589995       4.74150998       8.81652001      -0.64236424       0.35571881       0.13771740
Cl       3.63127001       6.47989998       1.72433000       0.56611618      -1.08992126      -0.97063734
Cl       7.91453006       8.61291005      10.71999995      -0.45123347      -1.63788392      -2.56180197
K        2.74231000       0.53093400       2.59668995       0.73756387      -0.38393072      -0.79508820
K        5.94780000       3.14711997       5.41605995       0.12852053       0.00078488       0.11557941
K        9.63205994       7.41910996       5.65543999       1.06677354      -1.22228699      -0.02197999
K        3.24720002       5.99192994       4.19684006      -0.46343095      -1.11010961       1.99282839
K        6.97762995       7.37179999       3.01868001       0.49174320      -0.45519244       0.41451004
K        1.13412994       7.94846000       7.67124003       0.02478138       0.13629120      -0.20622386
K        5.91237002       9.76370000       8.39826995      -0.23402296      -0.18038832       0.58875020
K        5.60900006       6.26715000      11.87289998       0.06117529      -0.13011133      -0.42325303
K        0.65255605       7.98531000       2.99143004      -0.93431029      -0.46840693      -0.39328935
K        1.94114002       0.95722602       5.79935001      -0.16147017       0.05151716       0.34810813
K        0.09553490       3.28582000       8.56440003      -0.17343178       0.12102759      -0.37609051
K        7.57514997      11.27180001       1.89825998       0.56107767       1.22166168       0.86630492
K        7.07707004       2.04120001       1.35418006      -0.56276958       1.19630393       1.28896505
K        0.21535794      10.75270006      10.47710001       0.02595102       0.46044646      -0.06210887
K        2.16245998       2.90306995      12.27810004       0.13058738       0.09112145      -0.07438618
K        4.35757995       0.77525194       9.13248995      -0.20228689       0.28068481       0.61223072
K        7.58732994       2.78653005       9.90581000       0.34401210       0.06637955      -0.54459980
K       10.60419996       5.75548004       0.34972194       0.47787761      -2.77797485      -2.21440333
K        8.92959000      10.84550004       7.12386006       0.51754092      -0.59207295      -0.48185502
K        3.19835998       8.93147003       1.10784996      -0.40182827       2.16290879      -0.63157600
Li      10.03440001       0.02788034      11.35889997      -1.42507050      -0.10284088      -0.24285312
Li       9.35924996       7.57702999       9.30828001       0.10381044      -0.56012845      -0.10473880
Li      10.61690001       4.45099996       3.94998004       0.36138791      -0.40780965      -0.09241788
Li       3.48657994       5.15462994       8.83057004      -0.55012528      -0.52994796       0.09634371
Li      10.89399997      10.05279996       1.66704998       0.37777117      -0.17876012       0.47223768
Li       0.03983492      11.08579997       4.81569005      -1.57497625      -1.00843894       2.39101372
Li       3.82731998      10.20740001       5.84693005       0.48392343       0.21931349      -0.90200198
Li      11.96820002       1.24663997       2.24036994      -0.68058321      -0.14905618       0.00446613
Li       9.99524999       1.25635005       5.75475994      -1.47176036      -0.09083047       1.42214738
Li       7.51550000       9.58734998      12.33510002      -0.35110745       0.76246913       1.00220054
60
Lattice="12.62016507 0.0 0.0 0.0 12.62016507 0.0 0.0 0.0 12.62016507" Properties=species:S:1:pos:R:3:forces:R:3 energy=-535.04307433 stress="-0.008259563919608533 -0.0028507055843315426 0.0022765918330394353 -0.0028507055843315426 -0.010772717237243063 -0.0011076991556110967 0.0022765918330394353 -0.0011076991556110967 -0.0034741764969836216" free_energy=-535.04307433 pbc="T T T" config_type=melt 
Cl       2.86943999       2.30494001       7.04920004      -0.34961675       0.09640755      -0.15059179
Cl       0.38608694       1.75105005      10.56499996       0.22716600      -0.45988040       0.45018997
Cl       0.48613494       3.65799006       4.25695003      -2.13905563      -0.15274888      -0.11656546
Cl       0.62773004       9.55188996      11.37790000      -0.05551203       0.06268761       0.61886697
Cl       1.57960006       2.66533002       0.97270402       0.58946401      -0.65736692       0.16988524
Cl      11.42009994       4.55734997      11.73640002      -0.32983929       0.22413098       0.57090858
Cl       9.21322998       3.06623998       3.86765996      -0.23002142       0.67544191      -2.08903683
Cl       8.57283005       9.97460996      10.08779997       0.03040790      -1.03515703      -0.07715244
Cl       3.42373001      10.68989997       6.56752999       0.15523729       0.38523129      -0.01679736
Cl      10.94839995       0.02055106       3.90125005      -0.80353054      -0.35115177       0.35473186
Cl       4.07665999       7.00085005       8.49532002      -0.06571942       1.85253419      -0.89633299
Cl       7.14935998      11.66209994       5.72350004       0.17752787      -0.50296161       0.02843381
Cl       3.83327998       4.13649005      11.85110004      -0.45560222       0.69448770      -0.06018821
Cl      11.60929994      10.69699995       7.06009995       0.44980690      -0.94055866      -0.18807511
Cl       0.53695799       6.65559994       9.29958005      -0.05163159      -0.21311389      -0.00474895
Cl       4.59360000       4.74900004       3.60702996      -1.66117522      -0.05015934      -0.55909618
Cl       4.58408995      10.77230006       3.02347996       0.12445666      -0.07724216      -0.34436538
Cl      10.51150005       5.11275005       6.65621997      -0.07771712      -0.84511775      -0.41709398
Cl       9.88302000       6.02784996       2.95706003      -0.51791477       1.63151527      -1.02231503
Cl       7.74444999       6.15454998      10.50210005       0.11579003      -0.19950586       0.05547097
Cl       1.96428995       6.32425006       0.89839598      -0.40674384      -0.20272433       0.16587554
Cl       9.92747996       0.53410305       8.16742996      -0.41422154       0.57199081       0.32857988
Cl       7.87848005       8.02921000       7.07758002       1.85566242       4.54264804      -1.56421600
Cl       7.14512996       1.37741997       0.18093493      -0.47086324       0.95607993       0.18345435
Cl      12.56950003       9.07070995       3.38964004      -0.49699373       0.03060957      -0.87936868
Cl       4.97926000      10.57560002      10.89399997       0.50798579       0.03248316      -0.10356803
Cl       6.41945002       2.76078996       7.66923999       0.55136685      -0.12217958      -0.46729838
Cl      10.14659997      11.02480003       0.12393494       0.00023682      -0.22753169       0.48955667
Cl       6.77182005       8.17924004       2.03405006       0.78207937      -0.26137333      -0.92310961
Cl       3.62117994       1.25678999       3.56785999      -0.02726988      -0.13699780       0.17327498
K       10.15809997       7.42701005       8.02728997       2.02587756       0.37190505       0.97704165
K        4.03929004       8.12191004       1.71989995      -0.76015334      -0.00242627       0.10275870
K        5.73526001       3.32388999      10.23040001       0.72542006       0.00196684       0.07344400
K        8.25803000       9.20613997       4.16966001       0.29995420      -0.01293021       0.16232188
K        6.25679995       6.44984001       7.35060997      -2.26076462      -4.63795989      -0.04390705
K        3.39510003      12.29622310       0.24708895      -0.13165041       0.24206160       0.36497096
K        4.43607005       0.33930096       8.45554997      -0.10167780      -0.08180422      -0.27218013
K        7.09793004       5.21209006       4.05765996       1.36521385       0.21029334       0.40813154
K       11.87670004       1.62145004       1.65483000      -1.15429058      -0.12844902       0.04003062
K        0.28031494       6.27802997       3.56664997       0.39830160       0.78997202      -0.36328401
K       10.70230004       7.59263003      11.41150006       0.44969491      -0.19960030      -0.08478612
K        7.99399999       4.67108996       0.65566995       0.30485210      -0.06780255       0.05254511
K        2.01970005       9.15642005       8.57243996      -0.35258219      -0.15465334       0.24283813
K       11.82069995      11.60230004       9.89657002      -0.15054949       0.16699453       0.22479689
K        8.63475998       1.50186994       5.72284997      -0.27546265      -0.67888434       1.85171456
K        0.87307400      11.46369996       4.42770995       0.58205456       0.35384212       0.62304090
K        8.18827002      12.61069995      10.74070005       0.46906239       0.07254810      -0.49813461
K       12.56770001       2.35481995       7.93042995       0.11896560       0.33617650      -0.93249836
K        6.95751000       0.23453491       2.81692004      -0.16867537       0.07428672       0.12075542
K        9.73682006       3.97025004       9.53223002       0.00023830      -0.23543317      -0.47032247
Li      11.65962008       9.58621997       1.13918002       0.54378689       0.42066356       0.17995365
Li       3.25022003       5.95479006       9.83503005      -1.83621893      -1.44880150       2.07851092
Li       1.46337995       4.03057001      11.87252112      -0.72415804       0.11270646      -0.33849973
Li       2.83054994       4.25704998       1.53518995       0.83455396       0.71069519       0.33602322
Li       2.35347994       3.11882001       4.51436997       2.45820404      -0.93358887       0.62618988
Li       4.34858000      12.05919999       4.99190995      -0.08833619       0.02019405      -0.36471760
Li      10.77390004       4.57627996       4.06801001       0.39285936      -1.13551343       1.30470919
Li       7.07801996       9.28078004      12.50360005       0.00108272       0.09268724      -0.27583101
Li       9.64820996      11.18829995       6.18779995       0.17936056       0.70051306       0.32118241
Li       6.88977000       9.73229005       8.70534999      -0.15872274      -0.28013630      -0.15610695
60
Lattice="12.62016507 0.0 0.0 0.0 12.62016507 0.0 0.0 0.0 12.62016507" Properties=species:S:1:pos:R:3:forces:R:3 energy=-530.09391556 stress="-0.02169174593413216 -0.0012967895443153881 -0.0019055391087129763 -0.0012967895443153881 -0.011134919239485636 0.0012964548371470035 -0.0019055391087129763 0.0012964548371470035 -0.016736011043908" free_energy=-530.09391556 pbc="T T T" config_type=melt 
Cl       9.58914002       8.95503995      12.20970001      -1.57929972      -1.21423139       3.09493202
Cl       0.14023704       7.15930001      11.95440000      -0.65079184      -0.58836423       0.13330777
Cl       7.00002999       6.24785995      11.86459995      -0.44212597       0.88675048      -0.62222925
Cl       2.42220002      10.73630003      11.71580000      -0.90864183       0.83490465      -0.16478468
Cl       9.25530005       4.66382996       4.05089997      -1.03403790      -0.32019488      -2.85637627
Cl       3.65351002      10.31980000       4.63351001      -1.13488314       0.45923189       0.92186208
Cl       6.23679004       5.23502002       4.79506996      -0.29184104       0.35996787       0.36112540
Cl       4.75455001       2.71138997       1.10947998      -0.28627329       0.13141842       0.25336884
Cl       0.05161256       9.87113004       1.40343997      -0.23705201      -0.05337739       0.92265529
Cl       6.03144999       9.92385002       8.60678006      -0.38163377       0.52899752      -0.48086398
Cl       8.32586995       3.55391004      12.12240001       1.12476338      -0.50167324       1.23808764
Cl      10.10330006       0.09795494       2.85926006      -0.68823588      -0.38495930      -1.08260591
Cl       2.25840996       5.28764005       2.83107999      -3.19234009       2.93539588      -0.06811832
Cl       6.13570997       8.79016002       3.52781002       1.03191941      -0.33563637      -0.61104882
Cl      11.09750000      11.71780005       9.17591997      -0.33517318       0.23677521      -1.05115737
Cl      12.19940006       3.24775001       0.34197606      -6.45997394      -0.63186183       0.27223801
Cl       5.09907005      11.91259999       1.65311997       1.65911200       0.68821491       3.35175044
Cl       8.66912002       9.30055004       6.61221004       0.05024109      -1.01870260      -0.84276121
Cl       3.07915003       4.56212001      10.94369994       2.01779901       1.92389967      -2.21545474
Cl      10.47100005       6.70417003       8.23896005      -0.58474360      -0.15790190       1.01553931
Cl       3.59361005       2.46254000       4.86090999      -0.32629028       1.82555285      -0.95761809
Cl      12.41930000       2.58185003       7.44431003      -0.11543255       0.37053614      -0.03298018
Cl       3.96829998       4.93029995       7.56665003       1.55415086       0.24275181       1.42945572
Cl       8.37425995       2.71867003       7.62147998       0.31417868       0.30886208       1.49494545
Cl       6.80099005       0.05044444      10.48239997       0.64852708       0.00981580       0.85524968
Cl       3.95459006       0.97939006       8.09821997      -0.52929140       0.32728768      -0.60732115
Cl       6.47977996       0.12606699       4.63270005      -0.53192136      -0.87070835       0.45342573
Cl       4.63417005       8.70404998      11.26450000       0.16101978      -0.37229956       0.42843463
Cl       1.04878998       7.24978003       6.79234006      -0.46684722       0.52153783       1.14094607
Cl       0.39782799      11.17829998       4.72485994      -0.99075300      -0.18550783       1.63034053
K        6.11442997       2.79301000      10.94610005      -1.45999682       0.17561990      -0.69769073
K        0.65993998       6.04949001       9.52389995       0.31510063      -0.32899140      -0.72511369
K       10.24249997       3.79815996      10.12170001       0.28368087       0.02441461      -0.39537108
K        1.81566996      11.77099997       2.68068006       1.11340932       0.64470943      -1.48854449
K        1.43629001       8.53027006       4.51461998       0.37129523      -0.07022715      -1.11240571
K       10.69500003       9.72281003       3.65953994      -0.45460451       0.27566659      -0.00402980
K        0.35402604       1.01511004       9.88109000       0.52082684       0.35075219       0.05629596
K        8.50112997      11.85240004       7.72992998      -0.39478725       0.40821128       0.24937999
K       11.41639996      10.43509997      11.47480003       1.99736253       0.85566349       0.23029246
K        7.66846006       2.29604001       5.14953998       0.42206863       1.80305728      -1.27504804
K        1.78338001       3.44787996       0.02371405       4.68361679      -0.74107543       1.87282631
K       10.55670006       4.97250001       6.06607997       1.83018100      -0.09384746       2.39349949
K        2.03860998       4.93331995       5.89655998      -0.87192167      -1.01842726      -1.30570878
K        7.80047999       0.71852102       0.94847494       0.01029369       0.16566807       0.04558325
K       11.11150006       0.56411696       5.21840999       0.51059402       0.74157223       1.42203305
K        8.48189002       8.71361001       9.95866994      -0.85257507      -0.08173160      -1.74728262
K        6.32220004       5.03200005       1.68369004       0.35332208       0.03280263       0.59598703
K        2.73231003      10.09249997       8.61753004       0.39715260      -0.29279396      -0.01770999
K        9.99747000       5.84620994       1.47910000       0.35943529      -0.26273698      -0.72606890
K        7.12686000       6.24871004       8.45218001      -0.30261311      -0.29076235      -0.07092511
Li       3.79872004       0.61653494       5.43291001       0.57240996      -2.31277147       0.83763514
Li       6.91851003       9.05698994       1.35555995      -0.27434290      -0.06536874      -0.14493593
Li       4.66871005       3.02494996       6.80478998      -0.08401901      -0.00456789       0.16539782
Li       3.61876999       4.10921005       2.82058998       3.27411582      -3.32638958       0.23743050
Li       5.38838998      11.12410003       3.94624005       0.74469734      -0.67425150      -0.89711006
Li       7.16030003       7.58798998       5.48817005      -0.20656976       0.34997605      -0.67890935
Li       4.51641002       6.52369006      11.46189995       0.06325530      -0.24039973      -0.16002002
Li       1.22069998       8.75978000      12.60846870       1.07379459       0.61352594       0.08709403
Li       4.36670003      11.43610004       0.06863489      -1.60544656      -1.43823477      -3.97055541
Li       5.44256999      12.38390006       8.92945004       0.21613578      -1.15554426      -0.18036997
60
Lattice="11.69144674 0.0 0.0 0.0 11.69144674 0.0 0.0 0.0 11.69144674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-461.90955941 stress="-0.02826547990532256 0.0029299847152032543 0.0026844940028224883 0.0029299847152032543 -0.025554326057732973 -0.00035254084516472806 0.0026844940028224883 -0.00035254084516472806 -0.024088713690460065" free_energy=-461.90955941 pbc="T T T" config_type=melt 
Cl       2.71776998       2.21302999       2.92463002       5.06477842      -0.51847764       1.11965692
Cl      10.62550001       3.56796006       1.77417003       1.17142680      -0.24882739      -4.63925825
Cl       7.79791006       1.11775995       7.19710005       0.04782401      -0.76121761       0.43013116
Cl      11.19799999       1.19213006      10.20260004      -0.41640991       0.43819464      -0.59934799
Cl       5.15536004      10.86610005       4.25231994      -0.31829918       1.61856149      -0.03541582
Cl       7.49809004       9.06069994       6.68861004      -0.68524221      -0.95623423       0.31088389
Cl       2.60513996       7.28154001      10.85180001       1.23258351       0.46249477      -1.54694701
Cl       4.17828000       2.61735997       6.36044001       0.34563490       0.55127100       0.05174455
Cl       3.40111002       4.49588996       1.25588995       0.14128103       0.90749037      -0.12808837
Cl       1.69254000       7.13916999       3.08290999      -3.01326743       0.29551547       0.02033989
Cl       8.82952999       4.76474004       9.01512002       0.88150957      -0.23010826       0.56519592
Cl       9.63106004       8.61122999       9.54885000       0.77817830       1.56502116       0.82914955
Cl       8.90373000       3.55351001       5.71674006      -2.90412375       2.97388315      -4.12451813
Cl      11.22270005       2.25260005       4.64899998       2.17600412      -2.25018018       1.27016651
Cl       1.83115999       9.68977998       6.68178995       2.12965158       0.64475500       1.09618511
Cl       2.72482997       6.54842994       6.59913996       2.97892612       1.95546506       0.60362781
Cl       4.46259003       7.95229000       2.57745999       0.51893203       0.60177233      -0.63206566
Cl      11.51430004       0.12862205       1.82389995       0.10189580       0.83192629       1.61065770
Cl       6.26617001      10.44629995       9.53551999      -0.49424520       0.99607473       0.27455334
Cl      11.09449994       6.78622999       6.58212002      -0.20974734       0.31500936      -0.03566309
Cl       7.74138998       1.17971000       2.31462995       0.63618411      -0.82218845      -0.08166536
Cl      10.03430003      10.49069997       5.78802000       0.92523838      -0.40780763      -0.51002059
Cl       7.24609996       7.87895002       3.89405006      -0.10099084       1.01860111       0.20475639
Cl       9.95623998       8.90380003       1.95582997       0.78068059      -0.79683388      -0.91434858
Cl       5.58156004       5.99124996       8.32892002      -0.44022837      -0.71279322       0.59457206
Cl       3.77044001       1.44784000      10.81370004       0.37909386      -0.78353300      -0.49539731
Cl       1.74317998       4.36456999       8.29050005      -0.89151734      -1.93939633       0.69422173
Cl       6.98539005       6.19294999       0.06531228      -1.26259984       0.40485326       1.03407685
Cl       7.16044000       2.19404998      10.76909997       0.01358712       0.84755135       0.13337831
Cl       9.34975004       5.84199999       3.34959996       1.04446874      -1.22997889       1.79688242
K        1.62226002       2.94695004      11.01039998      -1.06070272       1.07702312       0.63150581
K        6.68048998       3.73071996       7.60706999       0.29752996      -0.85793256      -0.29407195
K        4.81181004       0.04654914       1.50642000       0.11147152       0.21564615      -0.05371192
K        1.46164000      10.29759994       4.10958001      -0.18372115       0.35476961      -0.96722644
K        0.26294602      10.57120002      11.36029996       0.25929547      -1.76403865      -1.43733399
K        2.53063995       1.25177000       7.97072004      -1.01058836      -0.71627688       0.19678978
K        4.73964996       8.42546997       8.28990998      -0.73110817       1.23718675      -0.48866403
K        6.99685000       8.88283001      11.66270004       0.45717035       0.37255313       0.74414388
K        5.91608998       2.16646004       4.21663005       0.01436481      -0.14201429       0.05231322
Li       9.21083998       7.45626003       5.46181999      -0.44994911       0.30113698      -0.14486232
Li       8.21762995      10.16860003       8.40132000       0.10023280       0.40187265      -0.14517859
Li       5.23561995       8.92753998       4.74369999       0.58689441      -1.43410715      -0.10375101
Li       8.82573004       6.91009000       8.86685003      -0.57026604      -0.88660293      -0.89654773
Li       8.04100002       4.64058997      11.23770006       1.31649665      -2.24803728      -1.06563481
Li       3.43714995       6.10943003       3.03920000       0.94491456      -0.86355488      -0.46542420
Li       9.65215001       2.80330004       7.15172005       1.79092395      -1.82613247       4.00071087
Li      10.75169994       6.57037000       2.23248000       1.46374814       1.01229710      -0.93557846
Li      10.01370005       1.38914006       0.62131797      -0.32903862       0.44618944       0.12518896
Li       5.51831002       1.45084003       9.49676998       0.77725432      -0.69117432       0.08499941
Li       9.18004997       0.71708296       5.43534003      -0.04756216       0.72947856      -0.25499679
Li       1.73574995       7.65179000       0.80855497      -0.58704450       0.08943189       2.68947859
Li      10.28140004       3.57553004       3.58659996      -1.95263885       1.38603038       2.57703686
Li      11.61130000       9.39211002       6.99788002      -2.01424813      -0.78660718       0.24464498
Li       1.30565003       5.76209995       5.66164002      -2.77034094      -0.90829881      -1.29913892
Li       5.07104004       4.76876996      11.68615554       0.49032498       0.17510152      -0.39615727
Li       0.98679400       2.00488997       2.66461002      -5.38803740      -0.54597619      -0.31726581
Li       7.45108001       5.98991995       3.06948996      -1.97267589       0.00065393      -0.81306947
Li       8.67628997      10.18400000       3.00921003      -0.50897800       0.49835258       0.79684475
Li       3.60752005       4.60776997       7.20317002       0.56814943       0.30080912       0.04775340
Li       2.06714003       6.18983994       9.20650000      -0.21307891       0.30135685      -1.01024073
60
Lattice="11.69144674 0.0 0.0 0.0 11.69144674 0.0 0.0 0.0 11.69144674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-465.93841108 stress="-0.01441191686374157 0.004783954415820172 -0.0006990444345897174 0.004783954415820172 -0.0063439959041000134 -0.00043290682250354806 -0.0006990444345897174 -0.00043290682250354806 -0.020057497433681192" free_energy=-465.93841108 pbc="T T T" config_type=melt 
Cl       1.40676000       0.66789704       2.92230003       0.97709595       0.30879193      -0.39686463
Cl       1.40176997       8.70818003       2.00163998      -0.30322893       0.54052402      -0.00882547
Cl       9.20370002       2.45271997       6.82496002       0.13351542       0.03777123      -0.64597882
Cl       2.60564000       7.92801996       6.35702997      -1.53024096      -0.00503194       0.03506095
Cl      11.30749998       7.56106005      10.99550004       1.97065073      -3.16850068       0.07350029
Cl       3.97310002       5.96987005       8.87836996       0.16172121      -0.29998808       0.29889468
Cl       9.15807999      11.59830005       2.67360004       0.06354709      -0.78333306       0.65354692
Cl       7.20212001       8.22787996      10.88180002       0.52590922      -0.11892081       0.21907687
Cl      10.49099997       3.72772005       3.19343006      -0.12549051      -1.13280470      -6.89833143
Cl       5.15065996       9.20633995       8.63458003      -0.42145371      -1.52513467      -2.55926885
Cl      10.95630003       8.56539005       8.27800002      -0.98918134       0.50745005      -1.45972248
Cl       0.05326682       9.71570004       4.87580995      -1.32639381       0.19558166       0.28441180
Cl       7.79750997       8.97175995       5.32659005       0.37647496       0.18661038      -0.35571238
Cl       6.94630005      11.51550005       8.45862995       0.89236557       1.35167128      -0.08011450
Cl       4.67481995       1.07455000      11.62840003      -0.39612075      -0.55532101       0.24850239
Cl       4.68322996       6.73101994       2.10820004       0.22804503       0.25668070      -0.31485298
Cl       6.79118997       3.63002001      11.05759998      -0.26877518       1.10202996       0.20831198
Cl       2.74363999       3.63114005       5.18069997      -0.30230825      -0.28926239      -0.70076637
Cl       0.06027490       0.63675606       8.62012999       0.91138125      -0.45420175      -0.32795012
Cl       6.93551001       2.49856996       2.32511999      -1.21684339       0.52976047       1.29012966
Cl      10.59110003      10.32629999      11.65300000       1.46386599       0.74793726       0.69662651
Cl       3.69881997       9.61600005      11.29570004      -1.97819736       2.26320703       2.23561660
Cl       4.25349002       2.08807006       8.31315995       0.67513610      -1.13007009       0.37861126
Cl       9.58553998       4.21898997       9.88618997       0.37490035       0.21746305      -0.44267293
Cl       2.17170997       5.05951005       0.39105797      -0.43981353      -0.38770781       0.73524595
Cl      11.30809998       6.31821998       4.96046000      -0.39923352      -0.66694761       0.26847568
Cl       9.35294999       7.16445999       2.31612996      -0.86814580      -0.52114228      -0.36494289
Cl       4.03725999       9.56557999       3.98709994       0.77171457       0.73161378      -0.02705385
Cl      10.67950000       2.22361999       0.36709003       0.31630257      -0.16701764       0.55510976
Cl       7.05017002       5.64234995       7.04191995      -0.17702947       0.52678343      -0.13674385
K        2.17589995       6.41584005       3.59277001       0.37447924      -0.40019741       0.05306791
K        1.73688004       9.15053994       9.37097001      -0.19801946      -0.13983711      -0.40029936
K        9.81476003      11.17860003       6.48327000      -0.65386411      -0.16616775       0.47921534
K        8.20050000      11.17040000      11.25410000      -1.65221893       0.92388938      -0.12248459
K        1.20169004       0.67547100       5.67957002       0.08991322       0.79010392       0.85849323
K        6.64336999       9.75280004       2.93905001       0.19162465      -0.01482576      -1.03401698
K        6.08955995       1.64824999       5.72570003       0.23435185       0.07543840       0.12942357
K        6.79165003       5.92787998       3.86768000       0.30980691      -0.17708420       0.14063982
K        1.80532995       3.11456002       9.80321998      -0.03896061       0.30398511       0.64660727
Li      10.78270005       8.27672998       1.09895005       0.36800567       0.66238443       0.66944941
Li       0.28096698       7.75422005       6.43943000       0.11950990       0.24499021       0.43478566
Li       7.21920004       8.05660003       7.07518995       0.13940140      -0.77669979       1.45571286
Li      11.46460005      11.43930000       1.93832998      -1.07501214      -0.25855068      -0.69693634
Li       3.00003996      10.99240006       1.63521005       0.07601674      -0.13812351      -0.12323185
Li      10.39030002       8.09195006       3.92990994       0.04551022       0.13716342       0.54782600
Li      10.41129996       3.97312001       4.86742999      -0.44149646       1.37524465       7.77110345
Li       3.31970996       3.42287996       7.15486002      -0.00454039       1.59458575      -0.10103315
Li      10.49550001       2.28940004       8.95853997      -1.10647088       0.94045841       0.17841371
Li       2.05512005       9.86951996       4.56035999       0.64141121      -0.73233911      -0.43120292
Li       4.62237002       8.14038994       6.36252004       0.68391034       0.23848769       0.38960109
Li       9.59576999       4.73222004       1.08130005       0.14372368      -0.01326860      -0.81597479
Li       4.91969999       8.40582998      10.57640003       2.61029682      -2.70257722      -0.99475779
Li       6.90220996       2.51486001       9.32283001       0.05917197      -0.76191186      -0.89067958
Li       4.90175000      11.07250003       9.44346996       0.07818061       1.46315208       0.62699988
Li       0.64426197       3.44872998       1.93780001       0.36399776      -0.25831968      -0.85913448
Li       5.36208002       3.03683002       0.90215096      -0.49962438      -0.04013380      -0.28697404
Li       2.83263002       7.66718004       0.47957204      -0.20269676      -0.90236702       0.57774230
Li       9.88825994       8.75810999      10.34989999      -1.26530600       0.18270022      -1.11934987
Li       6.65330000       5.52809997       9.56788005      -0.14931197       0.16833068      -0.13784518
Li       8.86663000       1.96703003       2.24440995       1.65804036       0.08299744      -0.40648034
60
Lattice="11.69144674 0.0 0.0 0.0 11.69144674 0.0 0.0 0.0 11.69144674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-460.61517245 stress="-0.027881262621155332 -0.0014147015382537781 0.0011538198635534602 -0.0014147015382537781 -0.02103795063690896 -0.0005582571723917643 0.0011538198635534602 -0.0005582571723917643 -0.023313215493900686" free_energy=-460.61517245 pbc="T T T" config_type=melt 
Cl       2.84549997       6.42208001       5.49521999      -0.16051569      -0.11285636      -0.83846355
Cl       3.12168000       9.69942005      10.65999995       3.34248089       3.18081879      -6.20186052
Cl       5.46054001       8.08090000       0.28025321      -2.01916602       1.19368503      -0.22149108
Cl       4.09313996       5.96738001       9.02139996       2.08042009       1.07559558      -1.45175473
Cl      10.67749994       3.84329000       1.04032001      -0.91650424       0.79776356       0.20163453
Cl       3.65615998       2.14188006       5.39514004       0.38437657       1.05309364       0.71364025
Cl       5.00696004       3.08377995       9.98314001       0.35944609       0.53018124      -1.09520901
Cl       5.64859003      11.41310005       9.70951000       0.33204961       0.34082635      -0.44543779
Cl       1.48768001      10.55699994       4.97486000       0.87983653       0.06718305       0.46942927
Cl      10.47659997      10.93430000      10.11000004      -0.14525331      -2.28942375      -1.16997168
Cl       5.04603999       8.84597998       7.39965998      -1.13095145       0.71877052      -1.33088259
Cl       1.78431996       0.43376097       0.95990601      -0.61850790      -1.07769019       0.74630396
Cl       6.79997995       0.07511217       5.33236995      -1.07000382      -0.09766704      -0.00484588
Cl       0.78513899       2.38174996       3.71424999       0.01910536       0.16363304       0.08582284
Cl       1.59353998       0.64138295       8.42274002      -0.10716850      -0.08445501       0.61123311
Cl       1.59734005       7.44105998       1.40424003       0.24363552      -0.29435643       0.09349277
Cl       1.57425997       8.38534995       8.38327004      -0.24518276      -1.80135742      -1.18407853
Cl       8.23416996       0.55460798       0.89485305      -0.11010777      -0.81855941      -0.03415521
Cl       9.18592995      10.08060003       7.01021005       1.01348966      -0.13488584       2.70537988
Cl       8.75773995       8.61130002       0.09725331       0.04756282      -0.60147875       0.10237818
Cl       4.41877996       9.05098003       3.52489999      -0.11713784      -0.10259660       0.42179441
Cl       5.81746000       1.77190995       2.44824004      -0.61550517      -1.71995439      -1.06063163
Cl       7.94156999       6.72935999       8.92053002       0.13119730      -0.36431176      -0.36363805
Cl       9.24399997       1.85278998       4.20366996      -1.97250921      -3.85742929       2.08670568
Cl       4.50219001       4.56794996       1.95633995      -0.07479591       1.35988020      -0.91853325
Cl      10.80390003       9.61649998       2.82914001      -0.02373060       0.07879828      -0.03589343
Cl      10.33549999       3.38369000       8.68974998       0.13987220      -0.14815525       0.09790454
Cl       7.94836997       6.89792996       3.50837004       1.74447972      -0.15003533      -1.92637807
Cl       7.43382005       3.53948998       7.03785998      -1.85287801      -2.18784879      -2.23452755
Cl      10.42060004       4.99538995       5.11877996       0.40965935       0.38114104       0.43105369
K       11.22950003       0.83373495       6.49590004      -0.24663695       0.09681218      -0.52662631
K        8.42090002       9.50132006       4.72841997      -0.79480890      -0.29011610      -2.43327185
K        0.13026294       8.04346002       5.87894006      -0.42127393       0.02056904      -0.48506750
K        2.66209005       5.43153002      11.01210003      -1.03990498      -0.42765401       2.03856895
K        8.01021995       2.51358997      10.91430002      -0.22315712       1.28445712      -1.29792492
K        5.88574997       6.35721002       4.81065995      -1.76250224      -0.22028096       1.02883602
K        2.01410997       4.95400995       7.72475001      -1.13822272      -0.75650419      -0.31889202
K        4.16857996       1.30909001       0.10657502       0.25942809      -0.41634413       0.20500719
K       11.13459997       1.28194001      11.20030005       1.11418206       3.00508432       1.13202703
Li       3.83651002       0.32315322       4.34620998       0.17497499      -0.95685614      -0.20292470
Li       9.59704004       9.10708997       9.45662003      -0.49296719      -0.43679645      -0.14551739
Li       9.58626005      10.77529995       1.34213003       0.71453278      -1.48272085      -0.04713587
Li       1.34474003      10.10750006       9.34553995      -0.67034923       1.89050569       0.66382259
Li       3.48220996       6.37786004       2.53530998      -0.59258979       1.27238671       0.20233383
Li       7.55111998       1.61558000       6.60074999       0.24440755      -2.01961538      -0.68986036
Li       4.67066996       3.03403004       3.26243999      -1.77571674       0.64571880       2.30473993
Li       8.87383999       4.53807001       7.36689996       4.62548124       3.02276026       0.98378887
Li       5.96137995       4.31734005       7.85437004      -3.26916904       1.55555511       2.54485796
Li       7.74022995       1.60531000       2.66878001       1.52337702      -0.34491654       0.88347237
Li       6.74625998       8.39461005       8.09982004       2.59538074      -0.33135394       1.04091709
Li       9.94531000       3.34099996       3.52292004       2.78720524       3.98713943      -1.95355779
Li       0.96040301       4.38557999       4.48638002      -0.19699197       0.08784564      -0.07128361
Li       3.82926997       8.61515995       9.10577000      -0.04037521      -1.28463806      -0.36590291
Li       3.55726998       9.00830005       5.94821001      -0.91639537       0.00941812      -1.39209420
Li       6.11857005      10.09879998      11.37499996       0.46592499      -0.15069912       0.20677410
Li       6.72181994       6.69293003       0.51777805       1.80818698      -1.28191307       0.30999215
Li       3.63432001       1.03891996       8.23962998       1.16426145       0.08940395      -0.07203401
Li       9.63193000       6.41169999       1.42016997       0.32304772       0.29915076       0.29571212
Li       2.39220995       9.28811004       0.38212395      -3.78855987      -2.14971972       7.77890156
Li       1.27828000      10.52670004       2.71988005      -0.37846310       0.18501280       0.13332114
60
Lattice="11.69144674 0.0 0.0 0.0 11.69144674 0.0 0.0 0.0 11.69144674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-464.88359894 stress="-0.016811865851937415 -0.0018284730983886292 0.0023614676876952717 -0.0018284730983886292 -0.020069763172517265 -0.003218502656358322 0.0023614676876952717 -0.003218502656358322 -0.013495791462244262" free_energy=-464.88359894 pbc="T T T" config_type=melt 
Cl       9.88635003       2.18593004      10.55190002      -0.23405832      -0.30639969       0.06106279
Cl       4.00068003       0.27047998       2.42438996      -0.70907137       0.58562031       0.23797822
Cl      10.10940003       7.87694003       7.67955006       0.33958022      -1.29151894       0.06072331
Cl       8.65640995       5.20191994      10.29689998      -0.76971853      -0.53173385      -0.21624835
Cl       6.89052004       5.36200005       4.89482001       0.30820899       0.29364662       0.96718516
Cl       4.97540003       6.25569003      11.20460005      -1.46554693      -0.92217409      -0.36340451
Cl       2.77018998       4.55846995       4.29771000      -0.11976366      -0.27669995      -0.30007495
Cl      11.31579997       3.33757998       2.52272005       0.74739967       0.42313279       0.01828812
Cl       6.85107999       1.14747002       7.24825995       0.53198022       0.56235338       0.54876586
Cl      11.40287272       6.44202994      10.69619994       1.36679445       0.88459499       0.16444763
Cl       4.89867000       4.23118999       7.78712002      -0.25209821       0.12257424       0.30195531
Cl       6.58912997       8.59774005       9.59948998       0.12263964       0.34311110      -0.28525467
Cl      11.46860005      11.13130006       4.67109003       0.47053805      -0.17333152      -0.55176488
Cl      10.22570000      10.17279994       0.13317704      -1.78254702      -0.39277052       2.77097811
Cl       5.96330004       1.98552005      10.27459994      -0.07753496      -1.35171768       1.27746377
Cl       6.16026000       3.06972005       3.25021997      -0.78377454      -2.04789536      -0.73534456
Cl       8.01751003      10.98720005       4.06754002       1.83525245       0.75004588      -1.44431261
Cl       3.65441000      10.48140001      10.90039995       1.91942402       2.85273106      -2.36003959
Cl       1.72599004       4.10901005       8.65989996      -0.74129816       1.10685489       1.23331630
Cl       3.71832001       3.02847999      11.53504874      -2.94207879       0.52363626       4.45533784
Cl       0.36031496       2.26631002       6.02136000       0.03472607       0.86682355       0.02452072
Cl      10.06060005      10.89710004       8.15605999      -0.54141953       0.17855952      -0.11210390
Cl       7.80862994       6.87312995       1.86420995       0.04411575       0.14099022      -0.18396351
Cl      10.15249997       7.47425001       4.53026994      -0.31357564       1.01017865      -1.12690127
Cl       1.65819006       8.18855005       1.68707004      -1.10818423      -0.51701272      -0.55726914
Cl       6.19822996       9.24547005       5.55287999      -0.58683207      -0.71248420       0.64479027
Cl       1.46517000       8.53319005       7.16812000      -2.44665083       1.70806125      -2.80141553
Cl       1.07077997       0.04455330      10.27509999      -0.62934018       0.50840871      -0.38290232
Cl       4.64796996       8.83531001       1.83245996       1.28482140      -0.37722022       0.16737140
Cl       3.67256004       1.14488995       5.69153996      -0.40177022       0.21891048       0.29142353
K       11.43010000       0.67720694       1.84946002      -0.09654488      -1.08808331      -0.68975691
K       10.68250002       5.00157005       4.89211999       0.48061294      -1.37206954       0.60429647
K        2.11723998       5.07632002       1.31969999      -0.30269579       0.49684868      -0.09230272
K        8.52285002       3.78283003       2.36360004       0.32854143       0.69522808      -0.76036935
K        6.93767994       6.31541999       7.96411005       0.17360622      -0.71572643      -0.28990827
K        2.87624005       7.35211005       8.59504996       3.80918919      -2.74535762       2.97691620
K        2.95022996      10.79089996       8.03477000       0.34143340       0.86437293      -0.14740033
K        7.56285995      11.13320003      10.33570003       0.24447266       0.32007251       0.20117560
K        2.55044000       9.66893004       3.95181001       0.44280409       0.22865159       0.29626601
Li       0.35885329       6.75453998       8.30620997      -1.11013408      -0.18387949       0.17214847
Li       2.02435997       2.19851997       3.78936005       0.57480637       0.08778460       0.64107433
Li       6.37521999       7.66801995       0.03885372       0.80305381       0.57077740       0.80292717
Li      11.15400005       7.92683000       0.92944605      -0.20372440       0.19468431      -0.08763344
Li       3.83893003       0.82982300       0.31404395       0.09674024      -0.45339973       0.00455011
Li       8.30224002       8.79838001       8.00452995      -0.67870964       1.04074041       0.06517633
Li       5.42678996       4.28047996       0.32685322       0.85530939      -0.16714955      -0.14956746
Li       7.85865004       7.13723996       4.19050995      -0.05745414       0.63623591      -0.27288026
Li       7.59717002       2.39143001       9.31697003       2.07752177       1.00191601      -1.21664623
Li       4.86470004       4.61955004       3.28613995      -0.32798578       1.04568045       1.00858125
Li      10.39749996       1.18384994       5.53117002      -0.94421879      -1.08342358      -0.07589056
Li      10.99610005       0.92030404       9.06542995       0.46315256       0.30881384       0.32863659
Li       6.48426997       9.86681000       2.93879000      -0.60546830      -0.32895187       0.16857871
Li       3.15243002       8.95519995       0.05249261      -0.71395867      -3.18094845       2.66806805
Li       6.72810994       0.13735322       5.40502995      -1.00250489      -0.45448564       0.09602182
Li       5.28598998       2.70197998       6.27925999       0.20550600      -0.21413387      -0.32125514
Li       4.21280999       3.03060000       9.76859004       0.41048421       0.65088935      -4.27774815
Li      10.69910001       9.25522995       5.56350997      -0.06800430       0.20404117       0.71920997
Li       2.09198997       3.12712003       6.91654005       1.07192524      -0.33497192      -0.94736201
Li      10.95119998       4.29590005      10.74100005      -0.82133471      -0.26063154      -0.44087184
Li      11.18962272      10.02009995      10.21999995       1.45336113       0.05720015      -2.78864297
60
Lattice="11.69144674 0.0 0.0 0.0 11.69144674 0.0 0.0 0.0 11.69144674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-466.01296533 stress="-0.010274753579777115 -0.001468071197310034 -0.0036895308128066275 -0.001468071197310034 -0.021756748761316093 -0.00341681984303737 -0.0036895308128066275 -0.00341681984303737 -0.02260545052886594" free_energy=-466.01296533 pbc="T T T" config_type=melt 
Cl       7.96205995       8.33802005       6.59374997      -0.18334697      -0.55774483       1.02031537
Cl       6.06383000      10.55479996      10.96779997       0.17321827       0.23839832      -0.47317342
Cl       0.41975602       7.01842996       8.22641000       0.38888343       0.50489549       1.04926703
Cl       8.01372002       8.09150999       0.15636702      -1.38769013      -1.80245223      -6.45728397
Cl      11.11020004       1.66724006       3.66832002       0.17539323      -4.71480895       0.22166260
Cl       7.17159002       3.92642999       7.02623996      -0.10967152       0.14866639       0.65577460
Cl       2.06879998       4.21164996       9.47173006       0.52021178       0.86268445      -0.71956816
Cl       6.32422997       5.36615998      10.56590006       2.15102241      -0.81428132      -0.75808682
Cl       3.01002996       6.03164005       0.80610105       2.27847892       1.42039098      -0.71127816
Cl      10.23989996       0.04715488       0.12978394       0.18073177      -0.12342123      -0.06676389
Cl       7.30919998       0.27040796       2.64726003      -0.19711839      -0.01117209      -0.78226000
Cl       3.63176999       3.58090997       5.27017005       0.85480870       0.60280504       0.18320814
Cl       7.35504998       1.86324997       9.84865002       0.67992074      -0.04951495      -0.00752822
Cl       9.51481000       9.30060995       3.61547000      -0.22319354      -0.02132843       0.02258846
Cl       4.18564000       6.58037004       7.29990996       1.51707278      -0.32146161      -0.00163898
Cl       8.12314003       3.64889994       3.70917005       0.05486834       0.61984002      -0.80646308
Cl       0.64135606      10.29329994       6.09011997       0.36094835       0.07088689       0.43663916
Cl       9.63320998      10.66140000       8.47837003      -1.02136877      -0.59371554       1.20181008
Cl       1.85915995      10.38339996      10.32629999      -0.52301828      -0.09015386      -0.10704112
Cl      10.79979996       4.23419996       5.66840002       0.27213009       0.14203312       1.24239677
Cl       7.01359999       0.43633602       5.81299001      -0.02207009       1.38511383       0.81175132
Cl       4.28856004       1.52172001       8.76212004      -1.11069086       0.95451843       0.18027083
Cl       1.30576999       4.21185000       3.43310004       0.00029439       2.36432957      -2.94599237
Cl       4.05378000       2.27072003       0.67297195       1.35648662       0.06336756      -1.02161305
Cl       9.91104003       4.93195006       9.67513001      -0.88546983       1.10061786       0.16246781
Cl       0.01801336       7.82512996       1.20774995      -0.00082655      -0.09247255      -0.03994538
Cl       5.12277995      10.50490005       7.62984995       1.16516802       0.68387115       1.55548825
Cl       5.65867004       8.81910006       3.91773003       0.15165480       1.69983651       0.19067837
Cl      11.66300005       3.52219997       0.83091100      -0.75478709      -0.52465449      -1.01321293
Cl       2.11291999      10.87390000       2.34162995       0.33799281      -0.44831049       0.68520473
K        2.49315998       1.90584997       2.70725995      -0.41803463      -0.28598352       0.59582928
K       11.24760002       7.18708001       5.71817997      -0.79282443       0.27245753      -1.06294159
K        3.52339998       0.99085105       5.71445005       0.02666698      -1.39230625       0.58297434
K        5.77701005       6.31115998       4.06645996       0.24444667      -2.72194209       0.59224146
K        9.72627998       5.68851994       1.20209000      -0.39785679      -0.17137551      -0.15156451
K        3.90404005       8.98581003       6.13440998      -1.81373446      -0.90946167      -1.53020593
K        9.94181998       0.57759395       6.43582997       0.10159837       1.12431460      -1.33157793
K        4.75284995       8.80127995       1.40629000      -0.70513426       0.28769872      -1.22800866
K        1.71514997       1.84294999      10.68349999      -0.19498938      -0.88726271       0.36280401
Li       2.40251000       6.03484000       7.99427001      -1.25029838      -0.71026047       0.70463497
Li       0.25203602       5.31691000       9.96879998       0.62883048       0.49748280       0.02211334
Li       6.17576005       1.09082005       7.92696995       0.65986264      -0.63588263      -0.25177586
Li       7.47759996       9.46009005       8.81118997      -0.45636568      -0.21061998      -0.84662309
Li      10.91989999       3.51819004       3.61132001      -0.95354002       2.84956883      -0.29560045
Li       9.27946994       3.07078000       9.29881999      -0.77067169      -1.08280751      -0.14880016
Li       4.51097999       5.99944999      10.64300000      -2.63409206       0.38118423       0.30613789
Li       6.17488997       1.27983999       0.14595322      -0.38535254      -0.22163418       0.35069016
Li       0.77835199       9.96284997       0.97986401      -0.54542298      -0.37505185      -0.72470274
Li       1.42726996       3.92920004       5.25962004      -0.15567437      -0.25422843       3.17700311
Li       7.67608997       6.15177996       8.52056001       0.08419407      -0.28671175      -0.26516896
Li       5.82174000       3.57942001       8.88822001      -0.18799775       0.07873072       0.26356563
Li       6.93048000      10.54260005       4.44100002       0.62404866      -0.45594575      -0.61934824
Li      11.60270001       9.96613994       8.93502999       0.97240123      -0.61058730       0.12438284
Li       9.51503997       0.72831002       2.17904004      -0.17846808       0.10887917       0.05455775
Li       6.72186998       2.74515006       5.11167004       0.15514252      -0.12345867      -0.03425585
Li       8.52963001      11.03640000      10.44929997       0.02497316       0.51487634       0.87822584
Li       1.43890002       4.96524005       1.29333999      -0.85133899      -0.31169535       0.66278363
Li       8.34982000       8.49001997       1.77026006       1.78400307       2.35401994       6.66231960
Li      11.27430001      10.46979999       4.18075005       0.42864408       0.24636925      -0.63035500
Li       3.78842006      10.92849999       9.43946003       0.75695112       0.23487047       0.07299116
60
Lattice="11.69144674 0.0 0.0 0.0 11.69144674 0.0 0.0 0.0 11.69144674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-466.43280583 stress="-0.018517747247607325 0.007557376647996585 -0.005397304671492557 0.007557376647996585 -0.012871935080230079 0.0016346500978726552 -0.005397304671492557 0.0016346500978726552 -0.0028122996562951717" free_energy=-466.43280583 pbc="T T T" config_type=melt 
Cl       3.87239001       1.80765994       2.47396999       1.00841486       0.01853272       1.18972687
Cl      10.71990003       2.17089004       7.96357996       0.18291918       0.19070558       0.09389168
Cl       3.10979997      10.37939997       2.21406001       1.66957058       0.27544259       0.17425388
Cl      10.63830004       5.77876002       7.09025999       0.02081917       0.01240798       0.12795990
Cl       5.83467998      10.76380001       5.48205998      -0.92859122       0.17640259       0.06708655
Cl       8.81614001       0.66637996       4.27429004       0.08422128      -0.05016544      -0.15318241
Cl       2.56867001       2.11297997       6.14336995      -1.12484594       1.58393958      -0.64582573
Cl      10.45440001      10.59739997       8.31668994      -0.20926852      -0.64675127       0.17328200
Cl       0.30361799       0.97340004       2.72527004      -0.62018335       0.37941092       0.25998790
Cl       0.37824695      10.27800005       0.29925322      -0.89536517      -1.16309554      -0.95837213
Cl       6.46397000       4.68915998      11.59350001       1.69270567       0.67276738       0.55049391
Cl       9.35709004       7.56538998      10.46589995      -0.40231777       0.99772478      -0.11026258
Cl       5.48817999       0.60311696       0.23723500       0.87829285      -0.09246548      -0.92172051
Cl       1.34889003       7.62505003       2.91518005       0.60494963       0.58952185      -0.81544163
Cl       2.25166999       6.97308995       5.94404002       0.34127997      -0.01523268       0.40803192
Cl       2.73948999      11.03050003       8.11546997      -0.08945125      -0.15904677       0.39962390
Cl       8.12468003      10.40509999       1.05216006       0.36594056      -0.32650622       0.04528027
Cl       1.89767999       5.77266995       9.65307995       0.52513688      -0.01353332       1.19802445
Cl       5.60830002       7.65881002       1.58155005       1.31610561       0.09037201      -0.39778222
Cl       3.70131001       5.07442998       1.96194998      -0.28358777       0.20899397      -0.07918497
Cl       5.48153001       1.98323999       7.59047000       0.74119283      -0.12600865       0.57829803
Cl       0.86242600       4.31197006       3.28344005      -0.91922869      -0.46435975       0.67732964
Cl      11.26990005       5.93989002       0.41496604      -0.65199339      -0.30998273      -0.09776452
Cl       7.16235003      10.53049999       9.37234995      -3.78102228       0.51175378      -2.15859446
Cl       6.67066998       3.72506001       4.32084994      -1.93118375       0.68533093      -0.53001730
Cl      10.24470000       6.80564996       3.72128999      -1.18465225      -0.29193522      -0.44038619
Cl       5.61832005       6.67402999       7.85364002      -0.54595035      -0.90162408       0.16156509
Cl       8.76956000       3.39089999       1.57680005       0.95979038      -0.90345209      -1.42430820
Cl       2.04279002       1.97664005      10.91640004      -0.46326205       0.07432132      -0.43194810
Cl       8.52739998       9.20109002       5.18871995       0.23626599      -0.58328072       1.09738329
K        5.59119005       7.17230004       5.01331995      -0.03932925       0.36690611      -0.41228345
K        9.40302001       4.63983996      10.05300003       0.23127234      -0.39147703      -0.18405679
K        4.30794995       4.12030001      10.37410000      -1.53994568      -0.57394981      -0.65231124
K        0.75258801       8.38408003       9.76639006      -0.52818901       0.30396885      -0.34276319
K        8.98607999       3.31067995       5.44578996       1.55774573       0.03166506       0.98149772
K        4.37737002       8.83638001       9.28436001      -0.02300036       0.10968665       0.12507246
K       10.46249997       0.95336698       0.23920396      -0.22851425       0.39193038      -0.09887269
K       11.59000006       9.45778999       5.04309000       0.20116281      -0.27165804       0.08105566
K        8.16760003       7.64353000       7.85771999       0.98764793       0.37748895      -0.67480163
Li       5.68751004       0.47345905       8.90014002      -0.05851972      -0.94465065       1.21167677
Li       7.17895002       2.61157996       2.37721006      -1.09515989      -1.71417625       0.94041675
Li       8.61100996      11.01360004       6.90999998      -0.14757039       0.03561703      -0.52647548
Li       0.30333400       6.01828994       5.07174001      -0.03246422      -0.01811507      -0.47386730
Li       2.86475999       3.36277996       3.33872995      -0.49029219       0.76029805       0.22362209
Li       6.08018002      11.35259997       2.38212000      -0.43228488      -0.10127593      -0.10466095
Li       1.91403995       5.61590998       7.64897996      -0.47477660      -0.08786387      -1.21890459
Li       8.66182999       9.78695999       3.16803997      -0.06244041       0.50367071      -0.23928801
Li       5.71898002       4.33471997       2.15531002      -0.34961132       0.69016271      -0.33435669
Li      11.03559995       8.10942000       1.27938999       0.54115700      -0.25627643       0.44124957
Li       3.96014005       8.52824001       2.47871999      -1.11865469      -0.60613844       0.21034150
Li       0.35222097       1.66766001       4.68964003       0.30773508       0.65047800       0.75648076
Li       1.50805002       5.60039005       1.17135003       0.77866467      -0.04461872       0.98770488
Li       4.95049000       3.50221999       6.47962005      -0.57896159       1.12923415      -1.42937079
Li       8.76201002      10.13319996      10.12930005       3.98607287      -1.02946761       1.74170686
Li       1.26988999       1.24634996       8.80932004      -0.20081510       0.01233924      -0.21812987
Li       1.37281003      11.21230004       1.82652000      -0.29650975       0.01544135       0.02622645
Li       9.95649006       4.78331997       2.26661002       1.96836297       2.03334751       0.77171136
Li       3.38772998       0.97556202       0.62374897      -0.04876986      -0.43919060      -0.30227755
Li       7.47984998       7.61365005      11.57380004      -0.68473427      -0.12296716       0.85137827
Li       3.72652004       0.45938605       6.42193995       1.27402033      -1.23059717      -0.17514918
60
Lattice="11.69144674 0.0 0.0 0.0 11.69144674 0.0 0.0 0.0 11.69144674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-461.14790947 stress="-0.01984311850969683 -0.0013896113581337312 -0.00397357043371482 -0.0013896113581337312 -0.028879072275375447 -0.0034371322477857 -0.00397357043371482 -0.0034371322477857 -0.026263047615180883" free_energy=-461.14790947 pbc="T T T" config_type=melt 
Cl       2.87964998       2.06354000       8.89242004      -0.07008853       2.60294481      -2.23502711
Cl       7.15837003       1.03615996      11.36609997      -2.63256788      -0.56468711       0.62282773
Cl       9.06863996       3.90248006       4.97865996       0.50809049       0.60925724      -1.71564920
Cl       1.76921999       8.58653999       8.82404004      -0.45893086      -0.12218199      -0.31500335
Cl       9.17508006       7.97412003       3.92304999      -0.55094353       0.02682329      -0.29357680
Cl       6.79206005       9.04970998       0.15446903       0.90514092      -0.08106454       1.14881011
Cl       5.30048995       7.82514002       9.60350997      -0.74935383       0.04057408      -1.29186979
Cl       2.86988996      10.36000000      11.63129998       1.30372206       0.27537385      -1.64831098
Cl       3.58327994      11.13880000       7.32051005       0.69893343      -1.97513035       1.12839833
Cl      10.83529998       0.48745301       2.15912997       0.04446599       0.41369803      -0.63156419
Cl       0.20778495       5.01282003      10.22889995       1.61118514      -0.05778396       1.07231161
Cl       5.41752004       2.01712998       5.01757997      -0.13579683      -0.59521313       0.02056881
Cl       2.30360001       7.61390995       5.34745998       5.21439229       1.48089926       1.19032096
Cl      10.90769997       7.40628996       6.34660003       0.17479776      -3.28937988       0.13616909
Cl      11.44859996       4.99615995       2.31869004      -0.30672346      -0.73313944       1.70252681
Cl       5.80163001       8.73570999       5.48800999      -1.08967592       0.45865306       1.03183169
Cl       8.72438998       4.38625003       0.52071903      -0.34107669      -0.43149618       0.10364914
Cl      11.04210005       3.53963004       7.52441999      -0.11383748       0.04442812      -0.35133834
Cl       5.29762005       4.23640005       9.66516995      -0.46250227      -1.61810168      -1.91913473
Cl       3.32728999       5.39045002       7.34175996      -0.19063269      -0.24478886       0.69635017
Cl       3.55465998       1.92137002       0.92425797       0.07203109      -2.79903632      -2.47595325
Cl       8.38881004       6.29260004       8.52345002       1.51695225       0.08905159       0.29353715
Cl       0.52686803       8.65031005       0.68826997      -0.33488472      -1.19185177       1.15191048
Cl       1.14899002       1.60731999       5.11246997       2.43337709      -2.33761410       1.33194173
Cl       7.99742003      11.65970002       7.92557001      -0.94351264      -3.53452481       2.11808041
Cl       6.27330004       5.54790002       5.44906006       1.43989799       1.48119747       2.49910642
Cl       2.85471996       6.07389996       0.67386202       0.60806340       0.49047656      -1.40354842
Cl       8.86492994      11.56150005       4.57066997      -0.75834350       0.31676644       0.66494577
Cl       4.32104005       4.75935005       2.97748003       2.23744779       2.83160915       2.59361292
Cl      11.34709996       0.53844502       8.80996997       0.01028069      -0.80987431      -0.22860253
K        9.52915996       1.28902000      10.71440002       1.65841826       1.28198742      -0.02619130
K       10.73490004       9.74567001       6.94672994      -0.16297502       3.03139906       1.02808778
K        6.22939000      10.98150000       2.27450000       0.18852017       0.59744423       0.09108400
K        9.68476996       7.16776995       1.26973005       0.07421122      -0.21755059      -0.50298575
K        2.13685998      11.47609999       2.16327003      -0.85657705       0.23817421       1.29102517
K       11.03110003      10.37100001      10.83159999      -0.08695649      -0.07894999      -0.07444646
K        8.28806998       2.00798002       6.65470999      -0.13124069       1.78266997      -0.95503846
K        6.12475997       7.35547005       3.38637996       0.28101185      -0.67772921      -2.24961031
K        6.08987001       5.71969004      11.42039996       1.12511968       1.56881611       2.84333632
Li       0.94155698       1.44849999       7.48825998       0.50977319       0.76466255      -0.13350810
Li       2.39496995       8.14218996      10.86930000      -0.14693376       0.30893776       0.79572306
Li       6.30918997       4.02253005       4.33428003      -0.34752048      -2.55167954      -1.61494224
Li       6.31928998       9.96849998       9.89168004      -0.06957816       0.04900068       0.14613885
Li       3.63839997       3.42178997       1.97052998      -1.28914112       0.23455379      -0.16451557
Li       0.88498301       5.14502995       0.62044894       0.38584525       0.13634716      -0.69883279
Li       4.54699000       6.50345996       5.93803003      -1.29477308       0.58859919      -0.12441602
Li       6.69702005      10.13099998       6.64873998       0.65760298       1.38021917       0.47417150
Li       2.83227998       0.73586398      10.19079998      -0.38880095      -2.72482707       2.61271907
Li       9.14799998       5.87572000       6.42623001       0.01199809      -0.10353255      -0.71158308
Li       3.31959000       5.69157995       9.90216002      -0.15134191      -0.31705634      -0.29616094
Li       9.46124996       2.99973002       2.35399003       0.12334798       0.41837215      -0.14622608
Li       9.98712995       9.96410996       3.91392996       0.21842198       0.02173905      -0.88319449
Li       3.34307005       8.87034998       7.16160996      -0.30253433      -0.05885439       0.14192944
Li      10.39719996       5.33611998       9.02558994      -1.17232682       0.04821283      -1.03449842
Li       3.19432995       0.79401806       5.99526001       0.38569942       2.00334453      -1.55348980
Li       0.68212495       7.31330999       4.74261000      -4.60531615      -1.21341138      -2.07657170
Li       1.28184005       4.55519003       7.26560994       0.20704528       0.27478860       0.31600628
Li      11.61430003       2.83011999       4.41419995      -2.49584193       2.39640209      -1.23808118
Li       6.39647995       6.23554999       8.42150996      -1.74603735      -0.44620090      -0.31037005
Li       5.47944005       1.96489996      10.18480005      -0.21902760       0.48823690       0.05712061
60
Lattice="11.69144674 0.0 0.0 0.0 11.69144674 0.0 0.0 0.0 11.69144674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-463.2010148 stress="-0.01560710054395521 -0.0018325846113856864 -0.003630661691402956 -0.0018325846113856864 -0.018764377859282765 -0.003960630087606382 -0.003630661691402956 -0.003960630087606382 -0.012871506525730474" free_energy=-463.2010148 pbc="T T T" config_type=melt 
Cl       6.05568001       3.49266001      11.00440004      -0.29052819       0.83767654      -0.26262028
Cl       4.00584998       2.32909999       7.37367001      -1.91048681      -1.40413763       0.13354218
Cl       3.45182997       8.52251997       4.10746000      -1.02538068      -1.21959420      -1.27902180
Cl       3.84310002       7.80094001      10.88749995       0.67427529       0.13475857      -0.36835863
Cl       8.72774999      11.16739997       8.86571000      -1.57030882      -0.39303242       0.38950988
Cl       4.29282005       9.78466998       6.72765000       0.22594837       0.35635908       0.72825815
Cl       9.02396998       7.09074004       3.60033005      -2.33002773      -1.24508912       1.19167101
Cl       0.13130196      10.47409998      10.76830004      -0.23986710      -0.06845380      -0.33760821
Cl      11.24820003       8.06107996       8.69181995      -1.89807383      -0.76013972       1.38665475
Cl       2.96916999       1.39202001      10.93929996      -0.51804491      -0.16256751      -1.06225986
Cl       4.71093997       5.42379005       5.72495996       0.38523552      -0.13245153       0.06504045
Cl       8.12599006       0.62837095       0.94930502       0.41110085      -0.04426494       0.61396258
Cl       2.29171998       4.91359004       9.09692005      -1.85283855      -1.71145350       1.05383197
Cl       1.90667001       3.57910002       1.62299997       0.16272937      -0.69340721      -1.75328112
Cl      11.28359997       9.66140998       3.50550996      -0.11419469      -0.45487569      -0.19883446
Cl       9.95584001       6.03998997      11.02280004       2.06655898       1.13807541       2.03163596
Cl       3.71013997       0.98736594       3.36461002      -0.02521552      -0.80197066       0.72758780
Cl      10.73220001       2.55956003      10.58939998       1.19197991      -0.89273738       0.69098428
Cl      11.56689998       6.73551998       6.16681001       1.47386676      -1.71399611      -0.03431301
Cl      11.48210005       5.26835004       2.69146995      -0.43035071       0.70114810       0.07903548
Cl      11.03889998       1.64674998       3.69151994      -0.54632820      -0.61587683      -2.02350401
Cl       6.73799003       9.95907001       4.13034004       0.82120260      -1.47731352       0.64311944
Cl       6.88329998       0.91898501       5.86421000      -0.36307806       1.06246593       0.30762386
Cl       5.00283004      10.40800005       1.34322997      -0.18781312       0.64711303      -0.45876813
Cl      11.18110001       2.71577997       7.40513999      -1.36697520       0.41579360       0.31261878
Cl       7.83841004       8.22449996      11.34309997      -0.69029404       0.11555719       0.53749016
Cl       7.53983002       8.11173000       7.97912000       1.67573005      -1.52372955       1.99793151
Cl       0.91299197       0.16287401       7.32004006      -0.12015256       0.66164426      -0.26341174
Cl       4.97245005       6.14462000       1.98290000      -2.38062783       0.90574545      -1.15133374
Cl       7.32934002       3.54035994       3.74796005      -0.34591812      -0.23662288      -1.12499672
K        3.79434996       6.64629998       8.09622995       1.05923686       1.44723904      -0.69548623
K        0.20436497       0.59397097       1.10477005       0.13295723       0.12545955       0.47254348
K        8.82320995       4.25236998       9.86234001      -2.45268144      -2.07831935      -1.50213858
K        3.92043005       3.75435001       3.33703002       0.83486104       0.48740803       0.92430277
K        8.95307994       4.58844997       5.60965997       0.61142743       0.55928187       0.09449722
K        5.09881003      10.81289999       9.56276001       0.16551931       0.33376363       0.20326168
K        1.55961000       9.35542004       7.87208001       1.24364962      -0.06698915      -0.09445518
K        1.35599995       7.40940994       0.63833195      -0.49331703      -0.07216794      -0.01764777
K        8.98369996      10.83390005       6.06612000       0.52494055      -0.39293338      -0.58882647
Li       6.32499003       8.67913999       6.68657000      -2.09257312       1.12752627      -2.73885273
Li      10.56119998       7.78907004       4.79108999       0.09755130       1.15535383      -0.84981306
Li      11.49900003       4.01621995       0.74189806       0.05422475       0.42486148       0.08011202
Li       9.74212002       8.01122003       2.02568005       0.66852956       0.89028230      -1.22975700
Li       3.41919002       0.64947203       5.59108004       0.18829550       0.32626103       0.93799307
Li       4.61747995      10.11259998       4.30657001       0.50911124       1.15345561       0.12206121
Li       9.21297999       7.50006998       9.61249005       0.37669920       0.66244549      -0.48682799
Li       9.26006998       2.10938006       2.60462004      -1.34115517       0.03905096      -0.34368347
Li       3.20915002       3.71113001      10.93869996       0.38548339      -0.02160086       0.15200841
Li       6.47974000      11.63270003       2.93169995       0.17305264       0.85927560      -0.88191852
Li       3.67752002       0.92748200       1.16450995       0.52932378      -0.46507008       0.36423057
Li       2.04609998       7.10174999       4.67199004      -0.86134569      -0.70277320       0.22993091
Li       5.65067005       3.31735004       7.01677001       1.10184076       0.50192665      -0.89612746
Li       1.04298005       1.84377997       9.49528996       0.46117686      -0.07240072      -0.25789113
Li      11.51590002       2.11492005       5.44540999       1.20471724       0.05759512       1.91685086
Li       8.84578999      10.08969995      10.88480005       0.39603366       0.98435291       0.07098464
Li       4.71790995       8.25939005       1.67981000      -0.11338728       0.41888372       0.09504107
Li      10.51679995       0.33171698       8.97306004       1.66297902       0.38108537       0.35488085
Li       6.05551001       6.83748004      10.75430000      -0.21490213       0.00457731       0.48269015
Li       6.57465000       5.35956998       2.52704998       3.15743593      -1.32626570       1.10036802
Li       0.05614443       4.62357003       7.81226996       1.14819193       1.83381166       0.40948214
60
Lattice="11.69144674 0.0 0.0 0.0 11.69144674 0.0 0.0 0.0 11.69144674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-466.88148404 stress="-0.006748036832918939 -0.0002472631886253523 -0.002809859769238246 -0.0002472631886253523 -0.011210655078109602 0.003349543377633588 -0.002809859769238246 0.003349543377633588 -0.022229147328474114" free_energy=-466.88148404 pbc="T T T" config_type=melt 
Cl       1.58606003       2.15698997      11.36299998      -1.29743980       0.10278350       0.09986844
Cl       0.08417608      11.53490002       5.73877995      -0.40073151      -0.10321866       0.61455202
Cl       6.35777004       4.85528994       3.74066997       0.13124038       0.11714236       0.20027606
Cl       4.46875002       2.12795999       4.92978995       0.43447892      -0.23998547       0.22686828
Cl       9.32140003       2.94755998       6.01976996      -0.30609913       0.15963614      -0.19280687
Cl       2.74767003       7.75467006       5.20628003       1.69918376      -0.69929827      -0.54906740
Cl      11.35939995       6.00215002       4.83648004      -1.96687345       1.24673308      -0.87395074
Cl       3.11617999       7.74600997       1.62386000       0.35648801      -0.08086655       0.44700128
Cl      10.31140006       5.98544995       7.98561997      -0.69939670       0.93529114      -0.23773585
Cl       3.64573998      10.78460002       6.11739004      -0.86381313      -0.48055758      -0.14639261
Cl       6.76559003       6.62095000       7.51553999       0.56099128      -0.10747088      -0.46447650
Cl       2.39162000       3.90175998       3.52138005      -0.49631983       0.96364575      -0.32192287
Cl       4.67796998       0.49681400       8.90603999      -0.68037576       0.93105170      -1.65027795
Cl      11.32920001       9.97309004       0.13428702       0.58749741      -0.04568259       2.57297354
Cl       2.03122998       0.13952198       3.15249000       0.88566770       0.82124600      -0.19494968
Cl       8.53224994       3.31615003      11.68349995      -0.63208007       0.10929410       0.55971444
Cl      10.85420003       2.64859005       2.57484999       0.32479986       0.01692299      -0.49402554
Cl       8.31609999      11.53460002       1.10119001       0.33142934       0.01151803       0.23892616
Cl       9.85362006       1.70938001       9.47557000       0.51960601      -0.22136385      -1.27735152
Cl       4.16951995       5.77055999      10.17050000      -0.73581239      -0.23290182      -1.68084258
Cl       7.47062005       0.45958002       4.66839994       0.35368672      -1.00831168       0.17069658
Cl       0.10305204       9.15603001       3.73268003      -1.84327687       1.15225521      -0.80991157
Cl       0.64326796       5.88786005      11.57859996      -0.11781008       0.32551091       0.91031480
Cl       4.52684996       2.74386996       1.24713995       1.48256060       0.59327509      -1.67477575
Cl       4.99219000      11.17749998      11.51609994      -0.77644095      -0.75376497       1.20982132
Cl       7.19579003       8.51241002       3.16159998       1.72049134      -1.00522508       0.44040720
Cl       1.40293000       9.16089003       9.10956996       0.83131306       0.94888438       1.67899522
Cl       9.55609998      10.60430003       8.04477998      -3.40596998      -7.12898718       3.28879875
Cl       8.50533997       7.47104000      11.14340000      -0.08106151       0.30502723      -0.13597669
Cl       1.39023999       3.68989998       6.92441003       0.97996858      -1.23855523       0.65188351
K        7.02792002       0.82360899      10.19890005       1.10414938       0.33767864       0.48434365
K        0.36209895       4.20396997       9.44836002      -0.20269938      -0.57878196      -0.10137765
K        5.73633995      10.56140002       2.48194005      -0.85876113       0.94656097      -0.42801417
K        0.73766704       8.29045995       6.85515002      -1.73668514      -0.67869609      -0.77707889
K        9.70838002       5.21512005       1.66854003       0.08478755       0.59859267       0.17399353
K        5.86315006       5.89164001       0.41088701       1.01605607      -0.00955780       1.49505055
K        7.98077001       4.59208999       9.24187002       0.31035992      -0.04394982      -0.16645167
K        5.32440994       8.95680998       7.83424006      -0.73133533       0.46449726       0.46333960
K        4.60478000       4.37613003       6.71112005      -0.22554343       0.29353932       0.24722019
Li       4.40076005       6.36992002       3.65872999      -0.24286227       0.07702546      -0.29269301
Li       3.66023994       2.11383999       2.88064995      -1.25064898      -0.39608806       1.08729299
Li       8.92796999       9.41518005       0.88322298      -0.06236235      -0.32973598      -0.44879810
Li       3.58531998       1.59693997      11.14219999       1.15030716      -0.60800467       0.09654282
Li       9.51586001       9.44849003       3.75322997      -0.50315770       0.00186801       0.00924292
Li      10.19179995       0.26129495       7.24303996       2.52951566       6.40451354      -2.92473183
Li       1.10055002       4.72851000       5.23155004       1.04859237      -0.88040403      -0.79051778
Li       8.85117004       5.24411005       5.66787998       0.38937506      -0.19405393       0.28078348
Li      10.57310000      10.15080003      10.06500001      -0.24910658       0.14153861      -2.13784808
Li       5.29381997       0.24327200       5.48754000       0.76825198       0.31364673       0.23591875
Li       1.71127004       1.06011001       5.22436998       0.62551560       1.20749365      -0.31604053
Li       1.23701001       4.16923000       1.27381995       0.36244504      -0.50996924       0.19431771
Li       2.66065001       7.08950998      11.08739996      -0.54657209       0.25749850       0.21674231
Li       2.76506994       0.18491297       7.94705001      -0.24002757      -0.34694064       0.29152952
Li       8.78816004       8.00247998       8.20326000       0.26020733      -0.64232254       0.33753448
Li       9.63142002       1.68803002       4.04811994       0.03412271      -0.05475200       0.55888053
Li       6.82455000       2.22868005       3.71293002      -0.75754099       1.29440567      -0.34210573
Li       1.83063001      10.17440004       4.56880004       0.48142215      -0.19290679       0.42102721
Li       1.43798996      10.73599997       1.44716997      -0.32193205      -0.56807833      -0.88719287
Li      10.39469998       1.63367999      11.53289997      -0.03029292       0.12853118       1.00966300
Li       1.08078002       7.45055004       3.80209005       0.89851814      -1.82717616      -0.59720640
60
Lattice="11.69144674 0.0 0.0 0.0 11.69144674 0.0 0.0 0.0 11.69144674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-461.56526231 stress="-0.02007619589027522 -0.0008133725539880254 -0.007044157069502534 -0.0008133725539880254 -0.02238411816425876 0.0036999741308420923 -0.007044157069502534 0.0036999741308420923 -0.025556374471096016" free_energy=-461.56526231 pbc="T T T" config_type=melt 
Cl       1.47478996       9.07212003      10.38059998       0.42741619      -0.63426012      -0.67445668
Cl       3.08409001       7.99896997       2.52954002      -0.29010259       2.19047560      -1.42048778
Cl       9.27366000       4.67485000      11.68343015      -0.05422374      -1.47610199       0.17606100
Cl       2.01352995      10.80540004       5.82709995       1.65085822       0.51076267       1.34301424
Cl       5.15927995       9.15700005       9.09568005       0.38275064       1.36989154       0.40433831
Cl       0.02125330       4.86305002       3.65831004       0.01551222       0.53296724      -0.53985696
Cl       0.01475320       8.68180003       5.20688004      -0.29121110      -1.54007858      -0.40712222
Cl       6.09905995       8.69553000       6.29343002       0.81727951       0.24644056      -0.84542022
Cl      11.29249997       2.94153000       8.09019003      -3.02105873      -2.55444607       0.01836586
Cl       2.35217002       3.92398004       5.68133999       3.07331648       2.79916424       2.43348195
Cl       8.00159996      11.65579999       2.63806003       0.19594130      -0.08492867       0.40456610
Cl       8.18467995       3.10968001       4.51238998       0.12746860      -0.76488277      -0.13980286
Cl       0.18515195       9.86305003       2.03060005      -0.90446535      -0.11838362      -0.19646727
Cl       1.68790001       0.95145695      10.69560006      -1.62945625      -0.55796009      -0.12420299
Cl       5.28204996       5.32171998       3.77530003      -0.21170805       0.64175813       0.68775822
Cl       4.00498002       2.95499001      11.44160006      -0.33031701      -0.64223492       2.22777456
Cl      10.14040002       0.26065905       5.57257002      -1.65087723       0.86575567      -0.84012682
Cl       4.72963004      11.33539998       0.39949498      -0.00783381      -0.07450660       0.30957669
Cl       6.45829006       1.78840004       9.44556998       4.85239088       1.53881110      -0.37098583
Cl       6.32155999       5.03593998       7.95597000      -1.41544874       0.00734554      -0.98014735
Cl       3.30098996       1.91846002       7.93328006      -0.18260317       0.03129055       0.08070423
Cl       0.15207801       5.10724003       9.52684003       0.79064050       1.50437018       1.85877642
Cl       8.59367002       7.68977996       8.07376997       2.50425486      -1.03779616      -1.36752042
Cl       4.12584000       2.24132002       3.67174000      -0.33848927      -0.33873236      -0.37749363
Cl       5.78342000       0.90307202       6.22501997       1.59449411      -0.29803919      -0.56979029
Cl       8.04691998       7.83372002       2.12752998       0.49734790      -0.15709141      -0.18405486
Cl       4.55913998       6.27274002      10.60389995       0.33513324      -1.48756859       0.92240988
Cl       3.15731003       7.39798997       7.27303997       4.45254499      -5.06294626       6.57232696
Cl       0.59807900       1.64841998       2.85103002      -0.39384948      -0.78300808       0.19505022
Cl       9.82734002      10.34560000      10.30500004      -0.10841169      -0.12790099      -0.09571250
K        6.66204999       5.25247995       1.28460999      -0.75199474      -0.18574224      -0.18402545
K        8.44474005       4.17377996       9.12935995       1.28958722      -0.66129983       0.17603111
K        1.46746994       6.56873004       0.12077604       0.38142544       0.37706839      -0.08383778
K       11.14400001      10.33790001       7.27908995       0.55814007      -0.41137852       2.30628316
K        0.50468199       3.54202001       0.82319102      -0.00745169      -0.12453528      -0.72964174
K        7.55436003      11.58940005      11.46770004      -0.52942099       0.13976693      -0.26440402
K        5.27832004       9.03887996       3.68334002       0.45050571       0.34868948      -0.77578616
K       11.32869996       6.92565003       7.57224000       0.32708374       0.21600271      -0.08300756
K        8.04858999       5.68597004       5.56772006      -0.20818429       0.66105659      -0.28386087
Li       9.60498999       6.33498996       0.95035000       0.09010686       1.95223097       1.24268014
Li       2.67790004       6.31802999       3.21351000      -0.28443494      -3.09344685       1.67073469
Li       1.54607002       3.08970003       4.28396998      -1.49308320      -1.83309262      -3.56696209
Li       0.98289303      10.51850001       4.12366995      -0.95322449      -0.14332697      -1.50129105
Li       7.87431997      10.10839995       5.78595997      -0.06771377       0.08516563       0.02071597
Li       3.67904003       7.90090001       9.82107996      -1.26774114       1.10230114      -0.35526402
Li       4.57751005       3.19689996       5.83970999       0.04624610      -0.24681586      -0.25658357
Li       9.89294003       1.88080000       3.30085002       0.01324002      -0.28906452       0.54554913
Li       8.21664004       1.44164997       6.62149997      -0.15157151       0.19756483      -0.55918825
Li       5.21741999       6.73771002       7.14166003       0.12644609       0.25443047       0.01625673
Li       9.38107996       9.71227000       2.00445002       0.38043905       0.21562623       0.22402215
Li      11.68331943      10.19019997      11.51079998       0.36073268       0.43214870      -0.05806573
Li       1.12415996       1.72348001       8.82725005       0.74793626      -0.21730476      -0.05104707
Li       2.95446998       1.06103001       0.59712299       1.09142718      -0.18897295       0.93389602
Li       4.32638000       3.99045001       9.86136003       0.51566810       1.51457672      -2.00184902
Li       2.25264003       8.17175003       6.18250999      -5.75212759       5.39666681      -7.09205320
Li       0.75707005       3.65565000       6.76814005       0.08822379       0.71055928      -0.48987489
Li       3.90806003      11.60089999       6.65870004      -0.25077464       0.10560008       0.34851528
Li       6.09755000       1.36729003       3.40552003       0.31261538      -0.01098073       0.16765936
Li       4.75059000       1.22311999       9.52528998      -4.21593674      -1.62260529       0.88205419
Li       7.11312004       8.36407000       9.05053002      -1.73345739       0.82094495       1.30178855
60
Lattice="11.69144674 0.0 0.0 0.0 11.69144674 0.0 0.0 0.0 11.69144674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-464.82553323 stress="-0.02149095917577878 -0.008719754475648381 0.0001772513256735696 -0.008719754475648381 -0.01986436866998378 -0.005313114714999092 0.0001772513256735696 -0.005313114714999092 -0.01723904060977295" free_energy=-464.82553323 pbc="T T T" config_type=melt 
Cl       9.17353994       9.31579995       6.93164003      -2.26970022      -2.09887131      -3.58837793
Cl       5.62929002       0.17430299       9.72730006      -0.00383100      -0.46249378       0.12810342
Cl       9.94752003       4.58082996       2.86197006       0.42920324       2.41825737      -1.39367445
Cl       8.84304005       8.88071994      10.41420003      -0.12988266       0.00907183       0.47000607
Cl      10.89100002      11.43650001      10.62730003       0.25195003       0.82268944      -0.19991311
Cl       3.60867996       7.19985000       1.10860005       0.46461664       0.80758653      -1.10087632
Cl       8.32417002       0.89927101       8.09622995       0.31162566      -0.76358983       1.12279626
Cl       6.91123003       3.38461000      10.45509998      -0.63025455       0.19355296       0.51294008
Cl       5.11871005      10.52000002       6.02746995       2.59179686       0.97013843      -0.37368893
Cl       5.16338996       3.81120002       1.45685002      -0.31366657      -0.04746573      -0.28086150
Cl       7.89282005       4.15315005       7.65738003      -0.33840106       3.77160363       0.37284398
Cl       7.60269002       7.67880005       2.26006994       0.97790556       1.63554647       0.16441317
Cl       4.12274002       8.32452999       3.76533997      -2.06051658       0.94536078       2.26773023
Cl       2.58438998      10.09519995       8.60101003      -0.49797201      -0.09355526      -1.26236313
Cl       7.12938997       0.17513600       1.31754000       0.08413371      -0.05400305       0.32171682
Cl       0.86521499       4.78684997       0.00446742      -0.28394490      -0.01970598      -0.06012851
Cl       6.79415995       8.03431999       8.26812999      -1.82302257      -3.03739946      -0.53336064
Cl       3.02904001       3.25686001       7.94810995       0.26341101      -0.84636631      -1.11942480
Cl       1.74777998      10.91869998       5.00431006      -0.27970890       0.09993003      -0.21860866
Cl       0.69005304       6.50732995       8.04826999       0.14052832      -0.13822468      -0.03150779
Cl       3.87276999       5.47899998       9.77544006       1.13199816       2.08360987      -0.21351519
Cl      11.43899999       1.55307004       2.54484003      -0.19797865      -0.70213058       0.35396421
Cl       3.36256004       1.57864005       0.01711873       0.28054160       0.45128387       1.39209523
Cl       3.67168996       2.16154998       4.73292001      -0.40598225      -0.82688965       0.41222833
Cl       6.23934001       5.48603005       3.73287002       0.23480939      -0.80375821       1.71159735
Cl      11.49119997       2.56063997       6.30616996      -3.10273998      -1.64322396       0.05885323
Cl       7.40226004       1.97456002       5.08899997       2.35518878       1.29739460      -0.70624168
Cl       1.57085998      10.28979999       1.09525005       0.90066301       0.30387585       1.43160710
Cl       1.89951005       5.19233003       3.64900996      -0.06297345      -0.26837294       0.26002021
Cl      11.57269999       8.88846997       3.60766000      -1.05564757      -0.85593020      -0.24424794
K        0.97592995       9.06345994      10.60389995      -0.75729516      -1.32320894      -1.05771790
K        9.28143002       7.04801996       4.62956996       0.22413724       0.05544894       0.32369632
K        2.18871997       0.93203395       9.51971000      -0.85123757       0.08320158      -1.30475865
K        6.58364996       6.37634003       0.12746004      -0.54767878      -0.80115464      -0.84223483
K        9.17133996      10.74309995       3.43646998      -0.00803968       0.27612103      -0.04860463
K        3.87325998       6.39170002       5.99085000      -0.15905100      -0.08970248       0.14608951
K       10.19109998       7.51735006       1.14903995       0.66740901      -0.15063178      -0.30046706
K        4.46612003      10.71999999       2.50053003      -0.37430251       0.91270132      -0.27894778
K        4.36744001       8.38459001       9.56882998       0.16363163      -0.22209308       0.72626403
Li      11.68361370       3.66165005       2.85456002       2.17875481      -0.13353145      -0.13443730
Li       4.26017005       3.86576997      10.89530002       0.23744243      -1.57135033       1.33123716
Li       0.51283397       0.88623399       4.73898004      -0.15423015       0.63007850      -0.19883777
Li       5.58913002       7.41480999       2.93377998       0.88655522      -1.19049500      -0.87248484
Li       5.76188003       1.56603995       0.07122885      -0.35961012       0.28608017      -0.02097158
Li       4.58129001       3.78065004       3.91653002       0.50493073       1.02496097      -1.33180207
Li       7.22705997      10.96619999      10.97650004       0.50958765      -0.27611242      -0.11898252
Li       2.52160995       5.43006005       1.36438003      -0.20697247      -0.91515045       0.23692772
Li       1.44072003       3.40918998       6.09276002       3.28676574       1.51228377      -0.28995408
Li       8.82449998       2.49342000      10.26169995       0.52113645      -0.81106069      -0.52466780
Li       6.18864005       2.89434999       8.24557999      -0.38354196      -0.64680081       0.39409610
Li       3.22445997      10.11909996       6.19097998      -1.35234261      -0.39722675       0.86135514
Li       1.89414999       8.36292997       2.67300004       0.33622211       0.17393983       0.04547127
Li       8.46350003       3.90708006       3.77840002      -3.19407776      -1.42744436       1.45681917
Li      10.53059995      10.07609999       7.80933003       3.62069610       2.21528472       2.59464676
Li       5.68588001       1.12569002       5.00467997      -2.47295979      -1.51573297       0.39153453
Li       0.71045204       0.64985995       0.71596397       0.05046826      -0.14500004      -0.13999341
Li       8.58449001       2.55329003       6.93506994       1.65762050      -1.86658180      -1.72388138
Li       2.05781996       4.77456997       9.01602003      -1.51793728       0.75973096       0.31517495
Li       7.68678999       9.74109000       8.37090003       0.50529169       2.38624027       0.51170567
Li       8.42009003       6.49703996       8.09288000       0.02647822       0.01928519       0.19960015
60
Lattice="11.69144674 0.0 0.0 0.0 11.69144674 0.0 0.0 0.0 11.69144674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-465.63122568 stress="-0.014180221334559123 0.004940011143121033 0.004124157320870576 0.004940011143121033 -0.014577212603650547 -0.002570543513450824 0.004124157320870576 -0.002570543513450824 -0.018230387611957347" free_energy=-465.63122568 pbc="T T T" config_type=melt 
Cl       9.44492005       0.83390600       5.41938003      -0.22650619       1.24101055      -0.19650079
Cl       6.62412002       5.25759999       4.32181998      -0.08104623      -0.18683516       0.60201888
Cl       5.51117005       1.84985999       5.12527000      -1.61334249       0.45967978      -0.63352687
Cl       3.97501999      10.73569996       1.38466995      -0.74880380       0.01874293      -0.18647259
Cl       0.74371304       5.92727998       8.68542999      -0.10794457      -0.58603198      -0.30528549
Cl       1.83127000       6.74069006       0.20437596       0.44274437      -0.57916415       0.12881263
Cl       1.85280997       3.71317998       4.66996999      -0.00469854      -0.22646439       0.28827832
Cl       7.01650005       1.42405001       1.06349001       0.46927398       0.79996761      -0.41368623
Cl       5.38643003       9.38482005       8.89118005      -0.53469645       0.51579054       0.86733621
Cl       3.32105997       7.27868004       5.29897006       2.65843757      -1.85223851      -0.12956990
Cl       4.39350001       0.50501695      10.12360000       0.34248690      -1.83553770      -0.53259003
Cl       4.96267003       5.51335997       1.87535003      -0.83052635      -0.34864497      -0.04803643
Cl       6.76961996       4.86600995      11.18130005       1.27340093       0.62177662       0.44125253
Cl       7.58230996       2.83772995       9.02672998       0.72853713      -0.59245402      -0.05164030
Cl       7.80725000       7.26770002       7.02649004       1.25845424      -2.38194095      -0.99719419
Cl       0.86656804       1.09334996       1.83774999      -0.37025533       1.41401172      -0.63214469
Cl      10.13989998       6.45685996       1.59509997      -0.26904165       0.42483248      -0.41666733
Cl      10.31510005       3.86238003       6.60221001      -0.21314956       0.59275664       2.14169211
Cl       3.21133995       2.99843999      10.35549996      -1.21981936       1.84525856       3.72382424
Cl      11.25160002      10.01669996       2.80433006       0.15766046      -0.45408961       0.09335110
Cl       9.23997998       4.05468995       3.45858996       0.04667990      -1.97066440      -1.01429714
Cl       6.79167996       9.89493003       5.29070000       0.00732882      -0.60864384       0.37105280
Cl       7.40647995       9.49716001       1.55803002       0.01136321      -0.48803200      -0.24398393
Cl       1.55946000       1.46811999       7.94958997       0.06859372       0.20388202      -0.52017218
Cl      11.69120028       9.57802998       7.84405000       0.01544506       0.15170603       0.19321445
Cl       8.93977999       8.67534998      10.32520006       0.57843020      -0.43143456       0.21318719
Cl      10.90570003       3.32306996      11.17430003       2.48740390      -0.29958326      -1.36532414
Cl       3.16587998      10.80050004       4.74499997      -0.73465368       1.03197279      -0.09601137
Cl       5.11068001       4.86643002       8.24388006      -0.70059609       0.41799181      -0.67883201
Cl      10.44820004       7.17266002       5.74838003       0.86687642      -0.20312468      -2.15185330
K        1.33297002       8.69151001       5.24879995      -2.57892865       1.51346247      -0.06153195
K        3.47065998       7.98694999       1.91555995       0.60382963       0.24433378       0.89587593
K        7.36083000       3.31225000       6.18549996       1.07153378       0.55182159       0.72914875
K        1.66965995      11.48449995      10.80749994       0.03276133       0.07177450       0.06900594
K       10.07769996       1.16174995       8.08920000       0.09680410      -0.16477410       0.73913095
K        6.07199004      11.60380006       3.20613994      -0.06090722      -0.45642073       0.14801776
K        4.74125999       0.07585294       7.20929002       0.21691726      -0.57819149       0.00798524
K        1.06553998       4.04957997       1.86309003       0.07287479       0.34491434      -0.27536448
K        3.17164001       7.69345002       8.30663998      -0.35345729      -0.25374547      -0.11568305
Li       9.30865998       3.33643995       0.30885996      -4.45676665      -0.04672242       2.02280774
Li       9.67704005       9.37833001       0.91046101      -0.42132949      -0.27150891       0.00179559
Li      10.54959996       3.02663006       4.83107006       0.21154700      -1.31585250      -1.24866726
Li       8.60013995       5.19937998       8.76229003      -0.54533112      -0.21591685       0.03877934
Li       3.30393001       3.04269995       8.48115996       0.32427375       0.22604005      -2.99193634
Li       4.31757003       3.88183004       4.36064997       0.20517435       0.23701805      -0.01069627
Li      11.62930004       5.56436999       6.35976998       0.88682560      -0.37688898       0.64505527
Li       5.75150995      10.67690005      11.68150001       0.24344383      -0.13306700      -0.17371872
Li       6.92890996       4.08008003       2.40102998      -0.31494395      -0.03100695      -0.37331183
Li       5.85435002       7.16485001       4.69054997      -0.39938594       1.23861734       0.41418938
Li      10.11599997      10.85180001       4.55145999      -0.02726138      -1.26558558      -0.66155791
Li       1.68698995      11.29970003       2.91539003       0.81526496      -1.22553060       0.37141699
Li       6.32978001       7.87861003       7.95951005      -1.74054402       0.36966886       1.13039983
Li       1.88386000       1.45589003       5.29197004       0.32846271      -0.18420403       0.36429520
Li       9.61940998       8.22381999       7.30471000       0.58104062       1.38097180       1.33778610
Li       0.87522404       3.54245996      10.11849996       1.74573420       0.48068757      -1.33061040
Li       7.87195000       6.78724996       0.68257297      -0.00497827       0.38246085      -0.30618846
Li       0.44503995       7.14021006      10.50299996      -1.37783975       0.31111914      -0.73031373
Li       5.76896002       1.75823996      10.92600001       0.96606491       1.26916016       0.16070654
Li       4.61309005       5.03022999      10.39289996       0.05862214      -0.30022400       0.51178193
Li       9.64924001       6.01707006       3.77846000       0.06246226       1.50309321       0.24117041
60
Lattice="11.69144674 0.0 0.0 0.0 11.69144674 0.0 0.0 0.0 11.69144674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-463.22131272 stress="-0.025713965754555097 0.0025261837973762553 -0.005447155517499859 0.0025261837973762553 -0.020809466919666092 -0.001169421976126741 -0.005447155517499859 -0.001169421976126741 -0.017726966553673982" free_energy=-463.22131272 pbc="T T T" config_type=melt 
Cl       8.22068996       3.14749997       6.49380996       0.25337223      -2.28486676      -2.97593599
Cl      10.22660001       9.95340995       9.34476995       0.58610370      -0.33131356      -0.05290492
Cl       4.32414997       2.92915998       7.28976997       0.31663469      -0.65861587       0.58993139
Cl       6.46040995       2.87210000       0.97770904      -1.90866676      -0.26695518      -0.01724064
Cl       3.26138998       2.24832998      11.53744876       0.08353626       0.31430257       0.40448812
Cl       0.82050000       9.60478994       6.00981002      -0.02979878      -0.44239279       0.18253980
Cl       6.26440004       7.08212005       3.56485995       0.20564492       0.55832072       0.02550446
Cl      11.48892072       8.38808002       0.16604298      -1.11309583       0.13119717       0.60209337
Cl       5.47881000       6.51554997      11.56809999      -0.44758237      -0.07725052       0.21798257
Cl       2.04328001       6.91773001       9.61163003       0.54696598      -0.23601117      -0.25341112
Cl       6.71627995      10.98550000       1.21641997       0.88102370      -1.28646228       0.12683666
Cl      11.00750003       5.43196003      11.53770001      -0.13978077      -1.29966704       0.57233366
Cl       3.58745999       6.56715005       6.48858996      -1.32033716      -1.06870288       1.24647209
Cl       4.45318005       9.66433998       6.85975002      -0.88183101      -2.21228470       3.55574369
Cl       3.42413995      11.60254778       3.09507003       1.14089797       0.47703812       1.46767540
Cl       0.14865324       1.89262999       7.09273004      -0.77756736      -2.48985259      -0.48384310
Cl       9.34127000       2.98694999       2.56763999      -0.51348059      -0.06953991       0.36716153
Cl       5.56408998       3.91465003       3.73707005      -1.19216612       0.52899986       0.29898276
Cl      10.10480004       6.35221999       8.50837998      -0.49129737       0.05407980      -1.28192521
Cl       6.54459000       8.92164994       9.34188006       1.77057615       0.78678972       1.17163187
Cl       8.39411000       3.05376006       9.65898997      -0.46517898      -0.01177121       0.78169064
Cl       3.86300003      10.91389994      10.12960005      -0.73482355       0.10621888      -0.26760819
Cl       6.79578004       0.65424903       4.74328997      -0.78456688      -0.10481319      -0.19551116
Cl       1.88789004       9.78457996       1.27822996       1.67544881      -0.27804151       0.41640715
Cl       6.24874999       5.84419997       7.37547996       1.24110873       0.60771721       0.37999602
Cl       2.29248998       3.15339001       4.75117995      -1.19261493       0.88855817      -0.21072440
Cl       8.44001004       9.95280000       6.75119003      -3.58713671      -1.02122143      -1.72868024
Cl       0.35763703       0.67273999      11.59699996      -0.21782631       0.88168025       0.06956959
Cl       1.20334999       6.15400998       3.63332998       0.76147560      -2.37812656       0.61218298
Cl      10.74750002       9.20942999       3.17164994      -0.88296287       1.16996369      -0.16420410
K        9.77375006       0.28539102       4.03119996       0.04431354      -0.12822173       0.32177435
K        0.07398827       4.32731999       6.52759999      -0.39601718       1.89887394      -0.54905005
K        1.48792004       2.62424004       9.22116002       0.50075760       0.08882989       1.25079908
K        8.23377000      11.34959994      10.45169999      -0.11691373       0.75619802      -0.19648602
K        9.38524995       7.08047004       4.21958004      -0.39046861      -0.38892150       0.17343534
K        3.86542004       8.29893005       2.32662000       0.91725123      -0.27919742       0.57761801
K        0.43476796       3.24753994       2.25213005       0.67763887       0.27720688      -0.56043986
K        1.31237004       9.58829998       8.93305004       0.34767661       1.09010375       0.15893898
K        8.41232995       6.82336998      10.79530004       0.04493892       0.11021829       0.27411344
Li       2.72895998       0.19417400       1.05618004      -0.32362234       0.49394004      -1.06778200
Li       5.35119996      10.45999998      11.44829996      -0.03750434      -0.64664243      -0.52636649
Li      11.58800000       7.20071002      10.30699998      -0.39306675      -1.60930053      -1.57209637
Li       2.29045999       7.90095999       6.54292000      -2.41405152       2.82613862      -0.05443802
Li       4.73438004      10.50539998       5.30881998       0.92089052       2.47269543      -4.16380912
Li       6.13527000       0.95474599       2.18619999      -0.66914154       1.13137280       1.08769849
Li       0.02145322      10.44820004       0.62441398      -0.85888369      -0.05781864       0.11908295
Li       3.49707002       4.59961998       6.10008003       0.03560552      -1.98965025      -0.69161070
Li       6.12105998       1.45467003       7.32727999       0.34043880       0.45852718      -0.44905828
Li       2.11622996       7.88334004      11.65420001      -0.55631116       0.00235525      -0.29844479
Li       7.36824003       2.97162998       4.18017998       0.91112607      -0.34849456       0.51933650
Li      10.20940002      10.26820005       7.14810997       3.61175075       0.50598860       0.81606202
Li       5.14413006       7.87544995       8.44966004      -1.47837834      -0.94201112      -0.74538065
Li       8.13514002       4.51542999       7.75460003       0.02840702       1.97503263       2.57438532
Li       3.81970005       1.82599997       4.59849000       0.99231183      -0.46887168      -0.22534919
Li       5.18246000       6.59199005       5.49018998       2.96830737      -0.13115079      -1.63638966
Li       8.28367996       3.24848999       0.41061495       2.39540575       0.31905200      -0.91517030
Li       7.85246994       7.66055999       7.52068001       0.25554926       0.53170084       0.45608865
Li       0.67208095       7.91137005       3.25834003      -0.41658506       2.68606530      -0.71105332
Li       5.07341002       3.27053000      10.87630002       0.16451248       0.09888693       0.01057337
Li       5.78120997       5.57734001       1.82884999       0.11198769      -0.71988273       0.56578366
60
Lattice="11.69144674 0.0 0.0 0.0 11.69144674 0.0 0.0 0.0 11.69144674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-467.46453465 stress="-0.011084734772332537 -0.0016094582810180025 -0.005276072444359563 -0.0016094582810180025 -0.007491382706612517 -0.0031238178207225035 -0.005276072444359563 -0.0031238178207225035 -0.01615538811637115" free_energy=-467.46453465 pbc="T T T" config_type=melt 
Cl       9.94301005       0.09615326       9.09424995      -2.15887990      -1.53375099      -1.71369482
Cl       2.36266999      11.10650004      11.31930004      -1.12010232       0.45607083       0.88537450
Cl       8.95006998       0.09043580       3.47452997       0.11825547       0.51617987       1.11625733
Cl       5.12515998       5.58753998      10.89040002      -0.59808001       0.44970972       0.29003969
Cl       1.08758000       5.79423997      11.13010005       0.28629785       0.12545353       0.61494382
Cl       7.62702997       8.76336997       9.29581003      -1.27190707       1.31678714      -0.33973579
Cl       3.23827003       1.20509996       5.65518003      -0.36791722       0.67432771      -0.85481545
Cl       9.22965000       7.34081003       0.19642800       0.18277086      -0.07264200       0.89853177
Cl       1.28590002       2.78135005       9.69520996      -0.46613885      -0.61946895      -0.11686895
Cl       5.62565994       9.98291004       2.83905997       1.66823465      -2.25729098       3.56227523
Cl       3.97488004      10.75340000       7.33762996       1.51283388      -0.28370428       2.22404930
Cl       8.30904000       2.84690995       6.85875005      -0.34892378       1.34614870      -0.17681499
Cl       6.46960995       6.25150005       3.02945003       0.14514490       0.30623078      -0.35940764
Cl      11.10579996       7.20050004       6.92963997       0.28715424       0.10892573       0.42051125
Cl       2.33107000       8.71023994       6.08401996      -0.31536600      -0.28919141      -1.45459994
Cl       6.72646998       7.52372002       6.46374996      -0.41755653       0.35097374      -0.01872218
Cl       8.25051004       1.70583995       0.33278405       0.28945799       1.33218142       0.58216379
Cl       7.02976996       0.17782796       6.33233997       0.36415476      -1.32482017      -0.05669175
Cl       1.85783005       4.70472995       4.17985004       0.14055769       0.31662567       0.34904887
Cl      11.55528476       1.58330003       5.62501002      -0.56268796      -0.41477569       1.14831575
Cl       0.60115595       1.95545000       2.82985003       0.39607076      -0.76732477      -3.75366061
Cl       3.00119999       8.15992997       9.54329995      -0.84447993      -0.04974328      -0.29029966
Cl      11.25380000       8.48586997       2.85933001       0.15843243      -0.36154183       0.05467393
Cl       3.70591995       7.67032995       1.72695997      -1.51682678       0.87422424       1.46799101
Cl       4.73123995       1.98128003       9.09634997       0.23106210      -0.40329752       1.43071462
Cl       4.93455000       1.58647998       2.43367004      -0.10919098      -0.23630686      -0.11213383
Cl       7.84803000       4.27893003       9.65877006       1.27690006       0.46366208       1.95677298
Cl       4.59330999       4.02738995       6.83442003      -0.14482732       0.92727974       0.30008704
Cl       5.64709002      10.29340002       0.12855330      -0.27441999      -0.23174239      -2.22702334
Cl       9.62742003       4.85886004       3.49408999       0.68236762      -1.21738532       0.11745637
K        3.38733001       3.14391000       0.40872596      -0.48706258      -0.36702870      -0.40853782
K       10.74380003       4.47369994       6.14150002       0.03599059      -0.08536523       0.28087731
K        7.24999999       0.47582797       9.80687005      -0.60216412      -0.06008608      -0.54219857
K        1.80115003      10.22650005       3.00968003      -0.03808127       0.11703007      -0.16324887
K        5.80814005       3.47822996       4.40457999       0.43641718       0.27576164      -0.13625248
K       10.90459998       3.63698005       0.30256400      -0.16447214       0.08600898      -0.11881227
K        9.61563002       9.31759996       5.23610994      -0.13371909      -0.29669807       0.26591004
K        0.08113619       8.61335000      10.29749998       0.05828145      -0.19423365       0.03419666
K        8.40507997      10.73070000       1.05716996       0.12676540      -1.02180183      -0.51302466
Li       4.37147999      11.11080004       1.93727997      -1.02516852       1.76165095      -2.08085859
Li       5.49172004       7.90458995       4.67015997       0.05686861      -0.20590819      -0.38943525
Li       5.71128003       7.97990999       1.41393001       1.02205933       0.14862197      -0.13795364
Li       5.79121001       9.67873998       7.76859995       1.16890323      -0.38458575      -0.74564614
Li       3.17554998       6.31945997       0.36835329      -0.67285085      -0.67231868      -1.62541496
Li      10.35600000       2.18009998       3.43614999      -1.26788312      -0.06180764       0.58650539
Li       1.63011001       2.35645002       4.44930001       1.18537254       0.67136614       1.50763307
Li       3.61214005      10.33080003       9.82182996       0.29734870       0.21987457      -0.28441279
Li       8.55163003       7.05011004       9.92660999      -0.02034548      -1.36471367      -0.38403772
Li       5.00480998       7.93711006       9.57316996       1.65438179      -0.91374000       0.52528288
Li       6.54231999       4.08727004      11.60600004       0.81409634      -0.41626238      -0.36534991
Li       9.46193005       1.17972999       6.34968003       0.01155355      -0.60179153       0.06071985
Li       2.18190000      10.92810002       6.25233002      -0.35868818       0.33110335      -0.02389896
Li       2.11930995       6.73521998       6.92535003      -0.42048529      -0.14687584       0.22553279
Li       8.75414998       6.15748994       2.17352997      -0.56171826       0.89808972      -0.45949780
Li       1.01818997       6.59447004       3.39544995      -0.35603655       0.31071203      -0.13457570
Li       2.89577003       2.69641005       8.01706003       0.13966370       0.05479162      -0.14571353
Li       5.37419996       1.18872995       7.20490000      -0.89534192       0.32120067      -0.32239547
Li       6.39010998      11.49250005       4.21034005       0.38434919       0.54536664      -0.11090708
Li      11.48580004       0.70891695       9.88188998       3.51162358       1.68915651       1.36488865
Li       6.81980000       4.51713998       7.98114005      -1.12204846      -0.13931211      -1.70411274
60
Lattice="11.69144674 0.0 0.0 0.0 11.69144674 0.0 0.0 0.0 11.69144674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-467.59548568 stress="-0.009185871943788134 0.00559386394336781 -0.0027202941070403118 0.00559386394336781 -0.00808833622446028 -0.003391653254362604 -0.0027202941070403118 -0.003391653254362604 -0.014641302822336128" free_energy=-467.59548568 pbc="T T T" config_type=melt 
Cl       0.01180918       4.21808996       8.35415998      -1.15034919       1.19686369      -0.05506265
Cl       4.43084997       8.42088003      11.62549997      -0.14953615       0.40999012      -0.73503179
Cl       6.83953995      11.05840003       1.12554996      -1.21556915      -0.15163392       0.71249831
Cl       0.49398502       4.18013005       0.03241325      -0.85163762       0.53514453       0.24714407
Cl       5.85829004      10.65499999       7.69011001      -0.48094384       1.61710562       1.11286998
Cl      10.68539997      11.54939999       7.75342995       1.09306919      -0.72887542       0.22272790
Cl       2.60607995       9.84088001       8.08758003      -0.60522240       0.19407705       0.38080417
Cl      10.98559996       7.20116002       9.01551005      -0.08916832       1.43398064      -0.53236578
Cl       7.84848994       8.25126999       7.19136996       0.24012256      -0.56353659      -0.10732254
Cl       7.61337998       9.88201999       4.01271006       0.27606558       0.42365564       0.97275944
Cl      11.44309995       8.16204998       5.69911006       0.05669955       0.30895568      -0.69609972
Cl       6.65459003       3.62236001       6.84201994      -0.21861783      -0.20650408      -0.25453451
Cl       7.31252000       1.61963997      10.41159997       0.18462276      -0.16597293      -0.25843067
Cl       9.27779000       9.57432005      10.64119999       0.65502948      -0.87398376      -1.13456379
Cl       8.09676004       4.92367999      10.15480003       0.36601370      -0.62432181      -0.21712817
Cl       8.58227998       7.54929997       1.71140005       0.44577488      -1.14090049       0.07211849
Cl       2.73607001       5.26952994       2.52426998      -0.07315395       0.29088237      -0.05107426
Cl       2.89110000       5.52721001       6.42016998       0.51135361       1.12298430       2.56838847
Cl      10.42509996       0.13944903       1.30663995       0.31206874      -0.06008482       0.59216623
Cl       2.39702004       1.20030998       5.40460006       0.48156630      -0.16807018      -0.39150062
Cl       3.18286999       2.55256001       9.47350996       0.70828321       0.96272231       0.31281923
Cl       4.51542005       8.20102003       3.37122002       1.58922170       0.44327418       2.68861726
Cl       5.07452000       4.01489004       0.70926501      -0.02346170       0.07021287      -0.62426118
Cl       9.15038994       3.48049997       1.74235000       0.55999959      -0.26416602       1.64715049
Cl       2.80050999       0.70090001       1.18350995      -0.79500788       0.06818844      -0.03632764
Cl       5.01177002       6.69965004       8.88730994      -0.77427316       0.39647842      -0.48791323
Cl       0.70509595       7.65167999       1.38941995      -0.54775978       0.43444817       0.61299726
Cl       0.39852798       3.69021003       4.07597002      -0.81147238      -0.02694139      -0.00323230
Cl       1.57733996      10.52700004       3.57352004      -1.42952833      -1.57398447       0.02986833
Cl       5.39035005       1.88511999       3.49515005       0.38712316      -0.19754730       0.51803399
K        0.73403205       1.56792005      10.66049999      -0.61973634      -0.57159966       0.37824134
K        5.35851004       5.36270002       4.52541004      -0.04643066      -0.10669109      -0.06665723
K        4.36588996       0.32794496      10.42960000       1.15649305      -0.80337814       0.48677030
K        8.60283004       1.60162006       7.53408005      -0.68510841       0.51770342       0.64479893
K        1.29711001       2.20311997       7.65023001       0.24481191      -1.40207623      -1.26822324
K        9.42288004       5.44546003       4.95509000      -0.14521269       0.05596531       0.04283571
K        7.20292005       7.44060997      10.50040001      -0.12755718       0.84998590       0.36810154
K        1.55812004       6.94279998      10.55509996       0.95678857       0.32677340      -0.59056298
K       10.81359996      11.08760000       4.97270001      -0.96494983      -0.13197558      -0.77573713
Li       8.50422999      11.07348772       0.00415327       0.11547134       2.08290052      -0.13864513
Li       7.78879003       1.31372999       2.64989002      -0.48970637      -0.21335451      -0.57094945
Li       0.40747895       1.46010001       2.91479996       0.12652240       0.16314351      -0.46950174
Li       5.23993994       1.04302997       6.82087000      -0.28310554       0.47172573      -0.30373079
Li       6.89758003       8.77532003       2.05723995      -0.95372690       0.99357563       0.54190671
Li       4.39111998       9.09732001       8.82598000       0.99194370      -0.99310158       0.42382945
Li       2.49529005       4.70505006       0.08928337       1.77501410      -0.64591254       0.67990761
Li       3.05393999       0.20965324       3.41179004       1.45393000       0.66315829       0.20816786
Li       0.96906100      10.02480002       6.82417003      -0.39963963       0.09064588      -0.20112150
Li       9.47996996       8.94533003       8.49029004       0.15499570       0.14618904      -0.18262499
Li       5.59183998       4.70068997       9.43319996       0.42455659      -0.75734173       0.03006284
Li       6.16531000       9.46317005       6.06961002       0.87808894      -0.95014133      -1.52617232
Li       2.22923995       4.98781004       4.76322997      -1.29107322      -1.23400833      -2.82760264
Li       0.60257401       6.80630000       7.14660995       0.59059689      -0.87780010       0.42135617
Li       7.69762994       3.49286999       0.32104397      -1.17219733      -0.06358270      -1.32409022
Li       3.91174003       2.36548997       1.92360998       0.75128538       0.95039116      -0.14856715
Li       0.89235996       8.32075997       3.52846004       0.28230643       0.32551564       0.22702415
Li       3.54142994       7.88770002       1.78682006      -1.49206694      -0.67886022      -1.78165928
Li      10.31069997       5.31067004       9.58994005      -0.78271952      -0.86268697       0.56175070
Li       0.18399204       5.49054996       2.08409999       0.26507363      -0.74025681      -0.21396714
Li       9.89311002       9.09938998       1.00341000       0.63403963       0.23265324       0.26894484
60
Lattice="11.69144674 0.0 0.0 0.0 11.69144674 0.0 0.0 0.0 11.69144674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-466.75047462 stress="-0.003455291381817672 -0.002580020414937764 0.007289529804877802 -0.002580020414937764 -0.006420361991590984 -0.000936741087415573 0.007289529804877802 -0.000936741087415573 -0.014249875490381392" free_energy=-466.75047462 pbc="T T T" config_type=melt 
Cl       9.41911995       6.08842997       0.37896995      -0.14808500       0.59094932       0.55790163
Cl       8.37274003       6.56163005       4.19202996      -0.45681685       1.80000052       1.85239323
Cl       7.88332999       0.10843501      11.61220001      -0.28106058      -0.16548790       0.01858728
Cl       2.07735005       6.68696002       3.14163999       0.33264133       0.02182298      -0.87595583
Cl       1.00652004      10.60169997       8.83480997      -0.20858748       1.28244378       0.68288035
Cl       5.44801005       2.51966005      10.96629995      -0.50456126      -0.06407947       0.19031802
Cl       7.44306997       6.37377995       8.39352005      -1.29556523       0.22407851       0.08046467
Cl       4.45914000       5.76515995      11.19030001       0.27137980       1.05301986      -1.21172686
Cl       9.42848001      10.24400004       2.28878998      -1.27390967      -1.55801448       2.33459496
Cl       1.98924997       3.68597995       1.04910006      -0.66161254       0.00125046      -0.47067307
Cl       8.07752994       9.78455997       8.91390003       0.94788863       0.31845638      -1.03300395
Cl      10.09019999       1.34326995       9.25612996      -0.10865750       0.69409836       0.64585101
Cl       6.05902996       1.38451995       2.85989997      -0.14696533      -0.36163543       0.02424447
Cl       9.70509005       3.37580002       2.49349997       0.42169327      -0.44945592       0.13836955
Cl       7.33099997      10.36420003       5.52664005      -0.07993915      -0.28800195       0.01090528
Cl       5.63212999       5.18405003       3.02596996      -0.44058500      -0.02769038      -0.61255695
Cl       0.48051297       4.91889995       9.60921001      -0.30830010      -0.64646890      -0.15838168
Cl      10.99169997       9.75706999       6.57393004      -1.01862103       0.81274030      -1.28240025
Cl       2.43476997       6.16298995       7.05235994      -0.19303623       0.83965236       1.34232689
Cl       1.19491005      11.68638002       3.22659004      -1.17402123      -1.94933260       1.27525638
Cl       6.94668002       3.06227003       7.94509999       1.08182933       1.14357770       0.40505913
Cl      10.28480003       6.28267003       7.01367002       0.39278617      -1.40834402      -1.43273293
Cl       4.89690997       9.64813996       9.06968996      -2.29355100       0.62866578       2.61583006
Cl       5.72951998       9.24895001       1.37041001       0.01830142       0.59397781       0.11163566
Cl       2.67223997       0.19907003       0.52725104      -0.30526697      -1.13181540       0.50321058
Cl       0.76680703       8.36628003      11.30000003       0.46147494      -0.27763375       0.62070523
Cl       1.75573004       2.89754000       4.05687005      -0.42718243       0.06922880       0.97333697
Cl       2.96821000       2.73261005       7.57590000      -0.51054434      -0.08586759      -0.27512670
Cl      10.67240002       2.76102997       6.24354998       0.21286252      -0.13949608      -0.38207538
Cl       3.58526001       9.48240002       6.13996002      -0.65037819       0.61116151      -0.16945923
K        8.46506002       3.66190001      11.04809998      -0.07696316      -0.09616650       0.16069814
K        5.30782995       1.20898001       7.34851002      -0.75660546      -2.13749869      -0.51366459
K        4.90559999       7.70413004       4.39992002       0.26857226       0.22994019      -0.43893134
K       10.57390004       8.02057997       8.88553004       0.22550072       0.54212321       1.50866609
K        7.46032000       3.56205003       4.60795996       0.27723784      -0.54793460       0.46459060
K        3.51479998       4.52492005       5.33457998       1.10779316      -0.37643194      -1.15338830
K       10.68349999      11.13070005       0.44648396       2.14130058       1.19814820      -2.84088297
K        2.07596999       1.91493996      10.27269997      -0.35128112       0.60888600      -0.91557217
K        0.70861005       7.74502005       5.25585995      -0.37952441       0.07576528       0.34229293
Li       0.25486196       5.42068001       1.41222002       0.07440296       0.08625394      -0.14084946
Li       7.51078999       9.24403001      10.80430000      -0.66400831       0.50153694       0.89766046
Li       6.10038997       9.21457996       7.69360996       1.96544498      -0.42447721      -2.13706770
Li       9.42744005      10.49439996       4.37500005      -0.19509845      -0.34843283       1.38255343
Li       8.13747000       7.15989997       6.33892997       0.75112702      -0.12515273       0.32435752
Li       7.29979000      10.88730003       2.08032003      -0.49474980       0.56937731       0.03612651
Li       8.66053002       5.36965000       2.74108003       0.59860721      -1.11536005      -2.57709021
Li      10.51089998       3.48789002       8.43184999      -0.18507150       0.05147374      -0.06039986
Li      11.32540005       2.00287004       3.95340005      -0.24064680       0.47745754       0.27585950
Li       1.94510997       9.49751005       1.82888004      -0.04656478      -0.01603273      -0.52676323
Li       1.90526002       0.41318602       5.90606994      -0.15699223      -0.13541507      -0.02488783
Li       4.56079000       0.95228096       1.08654004       1.22578310       0.45836401       0.08739511
Li       0.70049701       4.22493004       6.86594999       0.21108435       0.39147488       0.12387974
Li       9.88836002      11.09959998       8.19595004       0.24712016      -0.20878549      -0.37689704
Li       7.15313004       1.52566003      10.02459998       0.05620767      -0.49313653      -0.40885423
Li       2.17087999       6.44297999       9.83913003      -0.09279726      -0.01427774       0.33027767
Li       6.24232998       7.33629000       0.82656401      -0.21248989      -1.58205867      -0.06679257
Li       2.50237997       9.31761002       8.27509002       1.24869793      -0.21949240      -0.31257837
Li       1.71185006       1.70806998       2.26723996       0.85983018       0.80208278      -1.19782471
Li       3.90714003       4.69246001       1.22020999       0.32785190      -0.19396071       0.88393630
Li       5.18833998       5.08629001       8.76802995       0.61262084      -0.09007069       0.39437204
60
Lattice="11.69144674 0.0 0.0 0.0 11.69144674 0.0 0.0 0.0 11.69144674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-464.35187905 stress="-0.020639595036337707 -0.0011985004244046452 -0.009234455014461787 -0.0011985004244046452 -0.014771949273721422 0.003670297508812582 -0.009234455014461787 0.003670297508812582 -0.0186282899042038" free_energy=-464.35187905 pbc="T T T" config_type=melt 
Cl       7.69416004       0.73371404       9.45880002      -0.78901898      -0.15428937      -0.20295558
Cl       4.26982999      10.12930005       9.88858006      -0.18558289       1.05975672      -0.29346848
Cl       4.27889998       7.05984001       9.15745006      -0.07635834      -1.02524457       0.07848335
Cl      10.67069996       6.79719996       0.05055475      -1.78079271      -0.98118135       2.13296695
Cl       8.12239003       1.97794996       1.04952995       0.20732435       0.21022114       0.82794160
Cl       5.75741998       2.53267999       4.28509996       0.45052825       0.17768031      -0.32412053
Cl       0.48833104       8.52769004       9.87892000       0.46286189       1.26525820      -0.44497081
Cl       7.67773005       0.72818200       5.71327003      -1.12932593      -0.02715236       0.25907180
Cl       8.02960004       3.88885005       9.52663005      -0.75763978       0.60505136      -2.57523578
Cl       5.04731997      10.73640005       3.03820997       0.02038332       0.44019723      -0.19404054
Cl      11.48100000       1.62213995       1.30544005       1.79881651       1.13517042      -0.85909951
Cl       1.19398000       9.80646004       2.07202998       0.03690020      -0.40367630      -0.12585758
Cl       1.13575998       4.45566998      10.40650004       0.85109066      -0.99660757       0.26233288
Cl       2.34954996       1.11074005       3.85187001      -1.03556217      -0.41527442      -1.12962756
Cl      10.43729999      11.53229996       4.83819997       1.72193078      -1.34905321       1.10351187
Cl      11.09899998       4.81613003       2.55669995      -0.08371853       0.82409620       0.51635347
Cl       4.52130997       2.77001999       8.28703997      -0.73068442      -1.34583000       0.53817565
Cl       1.87492002       8.60781995       6.28541998      -0.30810948      -0.08718096      -0.91392416
Cl       8.19546999       9.61405998       2.75603000      -0.76160738      -1.36035385       0.58425181
Cl       4.98515000       2.70822005       0.50729795       0.08081252      -0.49107418       0.24212135
Cl      10.24259999       2.80561997       4.83449998      -2.07999301       1.47404412       1.41551952
Cl       7.91380000       7.08537998       0.45753202      -2.48343018      -0.31218831      -1.33257742
Cl       8.31874004       7.73864997       8.88623994      -1.21993450       0.04962760      -2.24814341
Cl       7.50977996       5.84688000       4.55834999      -0.05211084       0.32494097      -0.99469385
Cl       2.38998998       0.37781799       7.30185004      -0.36633840      -0.15313306      -0.69358783
Cl       3.25590997       3.87858999       5.49538999      -0.39565312       0.51959455       0.81570713
Cl      11.36699997       5.25577004       7.79981997       1.37693460       0.13778651       0.03307125
Cl       3.31215997       5.92892006       1.09266999      -0.08664743       0.41715130       0.02508387
Cl       5.46279002       9.52393003       6.49468997       0.35783558      -0.29554588       0.18531210
Cl      10.60560000      11.20500001       8.00273006      -0.16913953      -2.12620355       1.34343437
K        0.01692255       1.86750998       7.83255006       0.56772679       1.90884449       0.16986767
K        9.85041999      11.61319998       2.34400004      -0.01833972      -0.04283501      -0.95744204
K        2.14705995       5.94165999       3.76347004      -0.65443323       0.44122525       0.19917520
K        4.73784994       4.51886003      10.16530000       0.11704241       1.35049254       1.56307035
K        4.79574003       8.89015003       0.63850498       0.15263519      -0.68824754       0.57952181
K        8.53858004       9.03020000       5.87834005       0.11208962       0.04010104       0.18721549
K        5.43087004       4.97446998       2.78871005      -0.25716836      -0.19040923      -0.52737803
K        9.04989997       5.14106000       6.64306005      -0.40261437      -0.40104318       0.59264059
K        3.08657000       0.43405805       0.74030895      -0.37584679      -0.00268213       0.41021783
Li       9.00389003       4.67248003      10.98640001       1.44997648       1.35661368       1.99397173
Li       3.30665003       8.42835004       7.90687995       0.15554760       0.93434171      -0.24813662
Li       7.23338995       2.52629997      10.79459995      -0.89177705      -1.45904549       0.80105627
Li       3.57991000       1.35576004       5.43333003       0.83636381       0.34274944       0.94085185
Li       3.80299999       0.64401598       8.79937004       0.89327568      -0.54952797       0.47206998
Li       0.24235200       8.33453998       0.50570195       1.08648381       1.18139300       0.60773416
Li       9.50136998       0.69966598       6.65288004      -0.15548402       0.20907425      -0.59659180
Li       8.62335998       7.02375997       2.30271999       0.68461883       0.25337482       1.77757769
Li       6.77674999      10.77900006       4.68343000      -0.98303622      -0.49103997      -0.32161491
Li       0.81578098       3.80923995       1.34388001       0.06118109      -0.48497574      -1.00058719
Li       6.69053001       0.93836499       2.53863994      -0.68297806       0.15293527      -0.05099309
Li       0.25942104       9.02578005       7.70678002      -0.19685912       0.37440326       0.12435250
Li       9.32658004      11.33019998       9.99284999       0.63704222      -0.10879262      -0.18040440
Li       8.15160005       3.51318002       3.88506997       0.21886522      -0.31413050       0.04749766
Li       5.40776002       3.43721999       6.63850003       0.58155400       0.32253209      -2.01979838
Li       5.85360001       8.51292994       8.88649002       0.59769047       0.63694466      -0.51271446
Li       0.33650299       6.48888996      10.46720004       1.99292844      -1.31219233      -2.34668661
Li       2.01004999      10.39180003       4.30140999      -0.14699674       0.15766130      -0.06603189
Li       9.32427005       8.06278995      10.51219995       0.81421548      -0.02571375       1.57708688
Li       0.31612900       2.13822999       4.28376000       1.39184674      -0.96715634      -1.06936048
Li       2.53262995       4.23483001       7.93957999      -0.45932127       0.25851731      -0.17720370
60
Lattice="11.69144674 0.0 0.0 0.0 11.69144674 0.0 0.0 0.0 11.69144674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-462.80308725 stress="-0.02046166924070498 -0.006095460146662003 0.0036158290570407507 -0.006095460146662003 -0.020317119434526704 -0.0018050134126635735 0.0036158290570407507 -0.0018050134126635735 -0.024947838715835044" free_energy=-462.80308725 pbc="T T T" config_type=melt 
Cl       3.83963000       2.89177004       3.32743005       1.07218729       1.46478423       0.16564736
Cl       8.40267995       7.32033994       2.24102002      -0.20217503      -0.31619103      -0.40028903
Cl       9.32059999       6.27873001       8.45252000      -0.64495121      -0.82409380      -1.27250090
Cl       2.24273001       0.01108618       5.74363003       3.93709862      -2.61759981       0.10689059
Cl       7.55832998       1.68769003       3.63285998       0.19067093      -0.15576397      -0.07802597
Cl      11.23650005       6.81465997      11.60829998      -1.74319595      -0.73030062      -0.56992630
Cl       4.45994005       4.78076001       9.88917994       0.67613521       0.15465999       1.20847947
Cl      11.30770002       9.73416001       4.84606001       0.74331218      -0.96571015      -0.34096879
Cl       7.37744003       7.20448004      10.68930000      -1.11789818      -0.08434934      -0.07075039
Cl       6.92197003       1.06908004      10.57940005       0.48286954       0.60168090       1.07639098
Cl       1.72308004       1.79681998       8.84597004      -0.02225307      -0.75011454      -0.20639702
Cl       6.07697001       1.04914004       6.82691003      -0.70985630       1.06636138      -1.95689556
Cl       4.73025004       4.60921995       6.83532998       1.18175885       1.85737872      -1.44769784
Cl       4.83990996       7.95781000       1.19384999      -1.39371022      -0.71528769       0.56971082
Cl       2.00280995      10.13400001       2.19556999      -0.82561813       0.32193198       1.12828911
Cl       9.83804004       5.49221997       4.89831002       1.21387614       0.44116527       0.78362016
Cl       4.81495001       9.07068000       6.00947003      -1.63594662      -0.70687251       0.85986412
Cl       8.25295005       9.24376006       4.87234005      -0.52248973       0.49473995       0.69259242
Cl       6.59410995       4.51302997       3.00544995      -1.90665628       0.90028089      -0.50279350
Cl       1.49365995       6.00309995       6.21675003       0.11635456       0.43159992       1.10125798
Cl       7.68812994      10.36319995       8.83925003      -0.01786400      -0.15988489      -0.00261480
Cl       1.51642004       5.90596004       2.80203000       0.22044133       0.05484158      -0.52557032
Cl       4.94345000      11.01580002       3.16967000       0.09714407       0.17675826       0.04751875
Cl       1.73243998       3.69021997       0.35581702      -0.86037516      -0.01489978      -2.02216427
Cl       0.63888998      10.36950000      11.13750003      -1.41556816       0.37128100       1.56559554
Cl       0.73240296       1.80999999       3.68349002      -0.71809092       0.52708631      -0.77783997
Cl       9.77967002       3.69860005      11.50430000      -0.03127061      -0.32531334       0.11442255
Cl       1.42014004       9.60662994       8.42456996      -1.26557411      -0.67210262       2.65222306
Cl       4.16012996      10.79190005      11.10290001       0.06778690       1.47632827      -2.99397733
Cl      10.09170000       0.18211498       6.77415004       1.97352027       2.93124197      -0.87808753
K        9.44083997       1.42795005       9.11018995      -0.00630052       0.74625179       0.57730282
K        6.03042999       2.70334998       0.91053303      -0.07903575      -0.30718410       0.16877610
K        4.90685004       6.64824006       4.28171996      -0.06641270       0.07135177       0.24766892
K       10.31150002       9.46075997       9.51221005       0.22006300      -0.71856337       0.28723413
K        6.49541999       9.93102001       0.69547705       2.03744621       0.68802864       0.14222727
K        0.20713000       1.44594003       0.49725699      -0.35433212      -0.61884674       0.45520578
K        5.34499998       8.79038995       9.08087003      -0.53215347      -0.32593397      -0.10941098
K        1.73534998       7.84733003       0.55015903       1.70579504       0.50265060       0.11719721
K        1.75697998       4.47066005       8.82676006      -0.32210812       1.22716467       0.16327057
Li       9.34553995       6.39780997      10.40889994       0.36687308      -0.47845239       2.32172846
Li       3.70106998       9.95512005       1.04437998      -0.12896313      -0.78434435       2.31718892
Li      11.39397670       4.68660002       1.26018001       0.17837725       0.36533539      -0.54053061
Li       5.29922002       5.94762006       1.04129005       1.06379144      -0.46472970      -0.47184864
Li       2.25679996       9.67937003       6.80684997       1.51459518       0.09568217      -3.33078738
Li       1.76696003      11.52760000       9.92985998       1.17884449       0.03494670      -1.08791558
Li       4.21002999       2.83421000       7.35345000      -0.51675400      -2.50140123       0.85223147
Li       3.16189004       1.03238000       3.44654999      -0.95536800      -1.92151104       0.21959195
Li       5.82968002       2.77775996       4.95370994       0.20070710      -0.08430089      -0.31538154
Li       9.08953000      10.36929996       7.20722999      -1.93161355      -2.49812158      -1.12116235
Li       2.89630994       4.12854003       1.81472999       0.41106394       0.65720339       1.92569762
Li       6.21617995       0.64375327       8.72604000      -0.15383072      -1.01228788       0.98617962
Li       0.89144195       1.22075996       5.76937998      -3.39215553       2.20892458       0.31403102
Li       6.27743998      10.17010004       5.08112999       0.71211264       0.86803726      -0.68908447
Li      10.50389996       7.07700995       7.08535005       1.32825212       0.29551293      -2.14106273
Li       2.89556005      10.04739994       4.27418003       0.12485699       0.04780452      -0.34750661
Li      10.39030002       7.56240994       2.99817003       0.10247413       0.55450927       0.63078830
Li       6.49014995       5.35519002       8.88375995      -0.12155332       0.17965109       0.20591352
Li       9.26738999       0.39812498       3.82487995       0.52625354      -0.72877423       0.76826029
Li       0.44296495       5.33758995       4.56351001      -0.55064708      -0.47673296       0.07368993
Li       8.50139995       4.76974000       3.56250003       0.50005968       0.14449311      -0.64549639
60
Lattice="11.69144674 0.0 0.0 0.0 11.69144674 0.0 0.0 0.0 11.69144674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-464.86904362 stress="-0.016677943993876062 -0.0004348224914505007 0.0010659072588060075 -0.0004348224914505007 -0.028400134316827003 -0.006967906868111504 0.0010659072588060075 -0.006967906868111504 -0.014084670907713199" free_energy=-464.86904362 pbc="T T T" config_type=melt 
Cl       9.92011996       7.16870001      10.09570000      -0.15936615      -1.29380622       0.88532690
Cl       0.40891595      11.34910002      11.33469674       0.34541660      -0.41268325       0.96108810
Cl      10.94860004       8.35338004       1.07982997       0.63320436       0.63080250       0.67610762
Cl       5.67493004       6.99673999       4.64178998      -0.70601311      -0.19192059      -0.19879409
Cl       1.46259005       2.95084002      10.31529997      -2.01902057       3.05831292      -0.19027831
Cl       4.95954000       9.03799001       8.42362997       0.95086635       0.56266058      -0.61310557
Cl       6.98838002       8.34518995      11.37839995      -0.68514118      -0.05924488       0.22099779
Cl       3.18962005       5.54780005       8.42580996      -0.11513888       0.23293446      -0.36012201
Cl       8.69829000       9.23625006       3.77083998       0.06662789       1.41961936      -0.58128823
Cl       8.41709001       7.24453997       6.31868997       0.61661582      -1.83662143       0.85840809
Cl       1.50275999       5.46840005       3.62397997       0.38056736      -0.35923494      -0.71054278
Cl       0.38118805       2.44817994       4.43129004       0.08974935      -0.94223405      -2.51609975
Cl       8.39664997       3.33248999       5.92346003      -0.59657011      -1.16437166       0.18897532
Cl       2.79771001       0.34696204       8.85091996       0.36910754      -0.71097889      -0.31251350
Cl       2.14155995       7.58677001      11.01599994       0.08802300      -0.01830887       0.37282913
Cl       6.36618998       4.83464998       9.41162000       0.44363573      -1.67582609       0.24422227
Cl      11.53349997       0.19889103       7.24442995      -0.31424083       2.19079686       0.20551729
Cl       9.12850998       1.58152994       9.83153994       0.46618985       0.80653067      -0.48465700
Cl       8.26478998       0.52072102       1.20436001       0.74694671      -1.65553761       1.34903069
Cl       7.55738005       3.64318002       2.05850005      -0.65184091       1.85367916       1.02137760
Cl       3.26921998       9.84527996       1.90145002       0.99266361      -0.01326848       0.74565904
Cl       5.54048998       1.94103994      11.31290003      -0.94051395      -0.87971930      -0.57793227
Cl       8.97460998       9.41608006       8.22580999      -0.37369544       3.29681232       0.36649514
Cl      11.19730003       4.99001002       7.78348994      -0.35512086      -1.13546582      -0.63179118
Cl       4.20574005       4.43045001       1.61593004      -0.57171704      -3.66362316      -0.87948484
Cl      11.22569995       4.56018999       0.81308903      -0.47973437      -2.57217655      -0.86359955
Cl       9.24615996       6.10034999       3.26506998      -0.31151394      -0.79247424      -0.58030544
Cl       0.67700106      10.51369997       4.07043003      -0.03064437      -0.42445488       0.46163001
Cl       5.25885998       1.62278999       4.67402996      -0.28105684      -0.73157602       0.52710280
Cl       0.70417397       8.41100999       8.28367996       0.65503242       0.15485914      -2.20090259
K        2.99877998       0.36162194       6.14133003      -0.48071225       0.05143244      -0.87003932
K        4.18203003      10.66919995      11.04869999       0.47172421      -0.39874493      -0.13039183
K        3.13401997       6.92691995       5.35254003      -0.67610500       0.01935081       1.20714019
K        6.72590002      11.10029995       7.75167003       0.39979483       0.55680050       0.12301436
K        4.37788000       6.74916998       2.12606995       0.04581979       3.41591872      -0.12939154
K        9.25631994      10.18319995      11.16940003      -0.27491175       0.66640773      -0.38799040
K        9.57926003       0.23995327       4.41492003       0.31582804       0.41673122      -0.15032248
K        5.96811996      10.72399998       3.52110997       0.08407315      -0.31605648      -0.72915106
K       11.44450000       7.42496997       4.07822004      -0.58236962       1.50164748       0.70986002
Li       6.28119001       6.79939994       9.06102006       0.27012181       1.74850170      -0.15519845
Li       0.28508003       3.04918005       6.25565004      -0.24624083       0.69914404       2.30863176
Li       6.33721004       3.13613004       3.68595002      -0.14041526       0.60972149       0.34830647
Li       8.05829003       3.43776001       8.39078005      -0.16293824      -0.12704735       0.16071009
Li      11.46234372       8.70762994      10.09389998       0.37179215       0.01779624       1.03208881
Li       1.24919005       2.54980001       2.05835999      -0.06659160       0.67836265       0.37993533
Li       8.80795998       7.74281002       0.86892095      -0.29894049      -0.78321862       0.30524308
Li       1.20132000       9.75190997       1.48984994      -0.82877973       0.09439548      -0.17665958
Li       2.63124006       1.57791998      10.45199999       2.55871105      -2.38939211       0.91157919
Li       0.12349301       6.35114999       1.32172998       1.05020681       1.35070090       0.38739260
Li       7.51516995       7.75712000       4.58959994       0.77817107      -0.33932229      -0.73140787
Li       0.17005326       0.42521102       9.39676006       0.00384926       0.37316545      -0.50251461
Li      11.04700005       3.27462996      10.44970005      -0.99969677       0.05102946       0.10142633
Li       4.44047005       3.82455996      11.10040003       0.27109276       0.69826547      -0.06124549
Li       3.60349995       7.75980997       9.06641005      -2.05989299      -1.43381155       0.81578888
Li       7.36199996       2.22483005       0.80843396      -0.86982981      -0.69624733      -2.16841044
Li       9.66527003       4.90270004       6.24938998      -0.25271382       1.42839010      -0.55169294
Li       0.92343197       5.90191995       9.02888003       1.05945572       0.90639468       0.66482786
Li       9.57275000       7.57261003       8.03542004       0.85877369      -1.35045254      -0.10702744
Li       9.55314999       3.91435997       2.13334998       1.00605944       0.80915426       0.57171567
Li      11.68690005      10.12040005       6.43432002       0.14134636      -1.93249864      -0.55956789
60
Lattice="11.69144674 0.0 0.0 0.0 11.69144674 0.0 0.0 0.0 11.69144674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-463.88790688 stress="-0.02013919394472792 0.0011181439591257329 0.001000136576203372 0.0011181439591257329 -0.022277901759780814 -0.0038445718031538513 0.001000136576203372 -0.0038445718031538513 -0.007391912942835523" free_energy=-463.88790688 pbc="T T T" config_type=melt 
Cl       5.96231995       2.20831004       6.67504001      -0.43307596      -0.35839840      -1.26036963
Cl       2.45663005       0.01872432       7.98987999      -0.92915826      -2.42982348      -0.17479341
Cl       9.70691006       1.35056003      11.68610001      -0.43701377       0.57668503      -1.55987889
Cl       1.17159006       2.35055005       0.95636502       0.27038245      -0.99355171      -0.34981418
Cl       8.48624994       8.19725001      10.17350003      -0.02338109      -1.08435338      -0.36439730
Cl      11.02729996       5.40652003      10.72420002      -0.56080444       1.65415088       1.52136175
Cl       4.84399004      10.23409995       5.53453003       0.93498572      -0.11697328       0.30358453
Cl       6.03465996       9.89660998       0.59831505      -1.07623342       0.59981750       1.20718883
Cl       1.33952997       9.68609998       3.47287001       0.92853984       0.68285858       0.97286803
Cl       4.44149995       0.99084298       2.37763995       1.07158937      -1.42588182       0.01312849
Cl      11.61929999      10.26360005       0.54825905      -0.49190516       0.08732017      -0.29970683
Cl       9.36303000       7.28268004       7.20191997       0.07505370      -0.30557469       0.06267868
Cl       1.07366998       6.84884997       7.11258001       0.87149853       0.13820807       0.04857783
Cl       4.01127996       7.79557001       2.69499995      -0.01101312       0.28437641      -0.08418837
Cl       8.18339003       4.23147000       9.57575003      -0.29327741      -0.30165757      -0.73769559
Cl       8.26148001       4.60532003       5.59733005       1.00930862      -0.50183657      -3.22354197
Cl       2.90955998       3.99995001       2.89431000       0.65761230       3.27591935       0.33920705
Cl       4.96333995       3.12795994      10.40100003       0.95388028      -1.32341946      -0.18193423
Cl       8.50312000       0.75365801       3.15996002      -1.71356274       0.16847943       0.50779001
Cl       0.33588696       6.82922997       2.76432006      -0.24257084      -0.13648412      -0.12372796
Cl      11.28509999       2.28409996       3.89101998       0.42709676       0.14982371       0.34863592
Cl       4.70231005       6.02858999       5.85048004       0.30228858      -0.31357172      -0.09579840
Cl       2.34077998       8.55576998      11.09770001       1.72521065       0.68333787      -3.63111002
Cl       5.61438997       0.07075325       8.53156997       1.94107911       0.21133467       2.36603698
Cl      10.15529995       1.28214005       7.28030995      -0.03874126      -0.25662353       0.37525302
Cl       9.55177999       9.96046994       4.74212001       0.15707626      -0.34621306       0.45900554
Cl       6.58867003       5.52505002       1.90871999       0.60653278       0.57941556       0.47740889
Cl       0.63355903       3.66819995       9.07518997       0.38643800      -1.43391738      -1.27111707
Cl       5.25014003       7.68218005       9.73418000       0.32993846       0.71695909       0.15031282
Cl       2.98691000       5.09198995      10.67460000      -1.11185119       2.47033145      -0.84029688
K       11.63100968       9.44027995       7.45386001      -0.24190434       0.35563885      -0.04210832
K        7.69230005       7.22750997       4.79593001      -0.19969056       0.71198877      -0.23263721
K        7.30555003       3.10707995       0.92688995      -0.18822032      -1.31860993      -0.65100535
K        3.21274000       0.14505321      10.69040005       0.11759067       0.14436673       0.88574668
K        7.76292001      10.05039997       7.35837000       0.34122494      -0.40895362       0.20844526
K        2.69626005       2.45981001       7.50648005       1.08607100       1.76007473      -0.24630039
K       10.18189998       4.68333004       2.40697005      -0.06850871      -0.07021826      -0.02831065
K        0.51672605       4.21288002       6.15083003      -0.36090375      -0.08246130      -0.53621423
K        8.26140004      10.27070003      11.58499998       3.65419253       2.49069639       0.13501492
Li      11.06970005       9.22805996       2.33043994       0.09864044      -0.18547608       0.82886902
Li       9.22071002       6.20881002       9.98120005      -0.17685008      -0.04348091      -0.51487556
Li       3.01203001       3.66032997       0.36728703       0.74779658      -1.30414649       1.26209881
Li       4.45630997      10.51579998       7.72623997      -2.06042746      -1.66003954      -0.98915840
Li       4.34748002       9.06574995       0.62138204      -2.54845634      -1.77297955       0.03940458
Li       4.65759997       5.81937003       9.17563996      -0.12814741      -1.18673200      -0.00783421
Li      10.91640004       1.95633995       9.58670000      -0.29488971       0.05547591       0.03887481
Li       4.92433004       5.79994995       3.32800995      -0.99813333      -0.17878241       0.35144965
Li       0.60076300       4.14546000       0.11775321       0.24519526       0.52750767      -0.71009966
Li       3.72894006      10.55900000       3.76873996      -0.79694382      -0.09513733      -1.15854792
Li       2.25168005       7.47413005       5.02328995      -0.00983012       0.06839421      -0.49716050
Li       6.57511006       6.95274998       0.24375322      -0.20053054       0.80762279      -0.97278069
Li       6.53518003       4.12225003       6.33214999      -1.92187479       0.77079885       0.44889401
Li       1.80397994       6.76503001       9.55709001      -0.26163374      -0.15543154       0.24148005
Li      10.14380001       1.26252999       2.00867005       1.29026907      -0.23809738       0.51788834
Li       6.75416001       1.87973000       8.68490002       0.16029352       0.93440596       0.75483429
Li       9.20621999       4.81919997       7.25014999       0.88635355       0.68800151       2.76438020
Li       6.45315003       0.23140705       4.84343996       0.10899707       0.50399146      -0.48492111
Li       2.93912004       2.10385000       3.08696003      -1.27510603      -1.51288984       0.21341510
Li       1.63581999       8.26728996       1.08053005      -1.78495420      -0.52431114       3.82163644
Li      10.62009997       0.46228401       5.17318997      -0.50554217      -0.03195413      -0.39514562
60
Lattice="11.69144674 0.0 0.0 0.0 11.69144674 0.0 0.0 0.0 11.69144674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-467.2903497 stress="-0.015274791113716395 -0.0010469267421730688 0.0033213223192227973 -0.0010469267421730688 -0.003993641878761835 -0.0034898712647598758 0.0033213223192227973 -0.0034898712647598758 -0.015167447062026185" free_energy=-467.2903497 pbc="T T T" config_type=melt 
Cl      10.35909999      10.23790002      10.74570001      -0.19326175       0.09416319       0.07385413
Cl       6.76120001       3.91610995       6.83885998       0.15896190      -0.01708495       0.62655746
Cl       7.84861001      10.84759997       8.17753998      -0.08022660       1.00266651       0.09662233
Cl       1.20920998       9.89095003       8.33560998      -0.18092158      -0.59466932       0.00471565
Cl      10.06359996       1.01730996       5.66254997       0.06318283      -0.28785599       0.33322383
Cl       6.51057000      10.49339999       0.40133101       0.55706165       0.00236239      -0.07268328
Cl       7.65749999      10.83300004       4.36252995      -0.79378506       0.44187013       0.39658973
Cl       4.70460999       0.26801098       3.30126004       0.35659022       0.50542538      -1.09106820
Cl       1.30541994      10.33440006       1.72853995       0.50340041      -0.26297454      -0.35108007
Cl       6.39771995       6.37510997       4.36096996       0.19186312      -0.52466853       0.18059145
Cl       9.78767995       5.69746998      10.15140004       0.01344953       0.88120827      -0.75530650
Cl       1.15045005       8.00825999       4.65939999      -0.94245402      -0.77016171       1.24383191
Cl       1.69648995       1.68763999       3.34846004       0.55860452       0.88121458       0.79990546
Cl       0.51131701       2.22095001       8.23975005       0.38547491       0.21851476      -0.19996204
Cl      10.47210005       0.85140903       2.18788005      -1.19530420      -0.17437328      -0.59114019
Cl       3.41489002       4.58157996       5.43245996       0.16829677      -0.71666231       0.66219374
Cl       9.04989997       8.48342997       2.97091996      -1.26866152      -0.33910483       1.34942126
Cl      10.36769999       4.85081001       6.03410999      -1.16897002      -0.03401846      -1.13357936
Cl       9.16388000       2.27844995       9.92655002      -0.12526379      -0.54712108      -0.31931367
Cl       8.29054997       7.87298995       6.87790999      -1.59373992      -2.14800217       0.42028868
Cl       8.37586001       4.75633003       1.13915997      -0.08014124       0.31658446       1.90693774
Cl       1.73891003       5.57471996       2.07745995       0.05635162       0.72389791      -0.13062454
Cl       5.21214996       6.46960001       8.54050995       0.42229548       0.70699873       1.94152071
Cl       4.54717005       9.93440994       8.09379006      -0.48974368      -1.02042691       3.12133667
Cl       4.22818997       8.67662996       5.36103001       0.25093311      -0.10724492      -0.74501700
Cl       2.88338002       5.08787000      10.26659995      -5.63508349       0.10672489      -0.75869415
Cl       5.30885003       2.11774003       0.02495329       0.04519342       0.39351232       0.08251713
Cl       5.22753006       6.83508995       1.07590001       0.29021789      -0.27323172      -0.95264933
Cl       1.24142997       1.72246998       0.11385330       0.79335735      -0.61339771      -0.80946608
Cl       3.25693998       0.33843804       5.99407006       0.27818611      -0.18896184       1.68202271
K        3.78912002       1.74295994       8.77258996      -0.26999613      -0.06508597       0.48050557
K       10.58250004       7.82071995       1.11964005       1.24288384      -0.61640618      -1.78409579
K        0.19170196       5.42867999       8.12906000       1.11398645      -0.17876719       0.65484227
K       10.28180000       9.35861005       6.66201995       1.72466293       1.66207918      -0.45344683
K        7.24705000       8.50137996       9.93252996      -0.12284062       0.15433100      -0.16257558
K        0.01790954       4.14180000       0.35283103      -0.53851217      -0.11522863      -0.22861774
K        7.77884002       2.55573997       4.62993006       0.07720565      -0.39015667      -0.70754973
K        4.51088997       4.64638998       2.65186997       0.21693545      -0.82731981      -0.19043347
K        3.03983005       7.94434999      11.68600005      -0.65375474       0.45775969      -0.68219584
Li       0.12908105       0.07191514       8.74851002      -0.14144127       0.22759033       0.27294141
Li      11.65050002      11.61319998       0.30976804      -0.28495677       0.13914138       0.19441034
Li       2.73990995       0.77953002       1.57617000       0.33357602       0.09220766      -0.11755865
Li       8.52863004       5.75893004       8.09708997      -0.23674472      -0.13053418      -0.68732687
Li       9.18643000       1.97542004       7.36957005       0.03748219       0.22052439       1.09680223
Li       6.42519999       7.62927006       2.58453998       0.81811755       0.76493167       0.07686268
Li      11.44620006       1.19816998       4.06545006       0.08043485       0.03675528       0.05718064
Li       5.49739998      11.11140005       6.95772002       1.50599626       1.23499257      -1.73990606
Li       1.90321005       5.37851995       4.24968002      -1.15798342       0.91945217      -0.10763764
Li       6.43567997       0.43239097       1.94255001      -0.43485544      -0.16050630      -0.32308507
Li       3.12415999      10.84819997       4.19688004      -0.10361509      -0.49591962       0.30451195
Li       4.61681003       5.03071005      10.59619996       5.09752662      -0.11227411       0.79551481
Li       8.05119005       0.33861996      10.67739998      -0.06888796      -0.38329547      -0.37263116
Li       2.96522003       8.57322004       7.77202999      -0.00049353       0.07819985      -0.68464104
Li       9.10916999      10.81960001       2.73736998       0.12467196      -0.27364029      -0.00060153
Li       1.79608997       8.69620997       2.90985004       0.48355567      -0.47123447      -0.27269565
Li       6.68097003       8.52475000       5.35198995      -0.19591800       0.38633349       0.11002730
Li       2.75991998       2.25046004       5.45365000      -0.51008791       0.78124905      -0.66422519
Li       4.85148999       5.79896004       6.71537994       0.34713388      -0.55104079      -1.66217253
Li       8.50435006       4.06634995      10.92419999      -0.27222081      -0.39665581      -0.54785580
Li       8.63890996       5.95106997       4.38137995       0.44227526       0.35733452       0.33410676
60
Lattice="11.69144674 0.0 0.0 0.0 11.69144674 0.0 0.0 0.0 11.69144674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-464.76690834 stress="-0.024307353112264313 0.0021115074555954974 -0.0012523530451955527 0.0021115074555954974 -0.017787026455154727 -0.0004884939711635568 -0.0012523530451955527 -0.0004884939711635568 -0.013744127391526096" free_energy=-464.76690834 pbc="T T T" config_type=melt 
Cl       7.88449995       0.33211296       1.69327995       0.17535947       0.01238799       0.03370078
Cl       2.27247001       6.62374005       6.41954004      -0.72144147       0.90851799      -0.77273861
Cl       4.42724000       9.68039000       7.72578003       0.34962130      -0.35618197       0.29899378
Cl      11.45289996       2.15484996       9.86008999       1.02548861       0.96211690       0.13254488
Cl       1.86514994      11.64259999       7.23454998      -1.13635232      -0.21511254      -0.48737237
Cl       2.89386000       8.38566995       3.56235003       0.72945602      -0.86077109      -0.62181540
Cl       2.76523000       3.45289003       7.43277004       0.45092507      -0.26952292       0.04933926
Cl       5.98959001       1.41879997       4.76791006      -0.70474402      -0.62632618      -0.31167650
Cl       6.40717996       9.17923005       3.52906004       2.69832543      -0.44839630       0.95044862
Cl       8.54100999       7.24211002       7.70513995      -0.65612477       1.00349015      -1.81146677
Cl      11.56329995       9.79123006       9.45112996       0.10993555       0.11414527      -0.28066127
Cl       7.30121998       4.11521002      10.91779998      -3.03643413       1.59071190       1.61279057
Cl       3.48218003       3.66685999       1.21292996      -1.94233207      -1.62214626       2.00357594
Cl       9.65070997       5.66038997       9.69537001       3.01750875      -0.60074987       0.96717611
Cl       8.55965995       6.07364006       3.02936995      -0.23671362       0.01980905       0.50520292
Cl       3.97117000       5.52020006       9.74281005       1.61932994      -0.60380062       2.40743294
Cl       6.29409000       4.80532000       7.03468996      -0.48253578      -2.62219156      -0.96377366
Cl       8.36651994       1.94486994       9.44780000      -0.26813734      -2.22429554      -1.46403067
Cl       8.87337000      10.50689999       6.70420000       0.14579254      -0.33965005      -1.94755571
Cl       0.29552903      10.67270002       1.33749999      -2.91098924       0.59242694       0.11568935
Cl       4.45193000      10.85880002       0.94850895      -0.04326755       0.01120913      -0.33839115
Cl       2.14517997       8.72481006      10.99019996       2.04855299       0.35377111      -0.12459894
Cl      11.41889994       3.84308003       6.25171996      -0.96075597       0.50849047      -1.02809205
Cl       4.63606000       1.27676000       9.22112998       0.44841110      -0.18027727       1.12048375
Cl       5.34126001       6.66608004       0.98605206      -1.02627015      -0.89977496      -0.80579511
Cl       7.27083999       9.06842004      10.22930003       1.28149687      -0.91182815      -0.02467793
Cl      10.96220000       2.48867000       3.29634004      -0.93662042      -0.06221475      -0.43687763
Cl       0.44668002       5.68518999       2.38949005       0.23280503       0.33183390      -0.22943786
Cl      11.08140003       8.70897996       5.20821006       0.64749493      -0.04488117      -0.76398801
Cl       2.81855995      11.14069998       3.91666003       0.29644091       1.52111114      -0.08577821
K       10.24699995       0.25671295      11.32140006      -1.31931153      -0.25678956       0.21881848
K       11.41949995       7.85822003      11.32189998      -1.40175255      -1.23639712       1.19659835
K        5.09727997       4.25582001       3.77397001       0.02404155       0.31026060      -0.05277764
K        2.31573000       1.23552999      11.41370005       0.09407629       0.17100874      -0.18291275
K        9.88954998       4.18584004       0.98965700       0.03636741      -0.01255085       0.42223032
K        8.16629000       2.86806002       5.68460004       1.10896011       0.43510283       0.41839555
K        1.86619995       2.03622995       4.19701005      -0.00677064       0.71327414       0.52716184
K        9.73453005      11.35250001       4.06014003       0.29187896       0.08931445      -0.61103094
K        6.95145995      11.56329995       7.98978002      -1.60534774       0.60478389       0.75932050
Li       3.73255996       7.25099002      11.04330006       0.33342905       0.22229726       0.64768160
Li       9.09968998       3.64586999      10.27489995       1.43040404      -0.20269461      -1.09400347
Li       6.52438999       7.89731997       2.00007006       1.15266671      -0.33977252      -0.57845179
Li       1.97756999      10.04849999       8.74917000       0.84497961      -0.27641736       0.00768065
Li       6.34101000       6.59734006       7.64302001      -0.06027266       2.58410355       0.74765018
Li       1.89315002       9.59083001       5.30628002      -0.00301719      -0.08574775       0.20174540
Li       3.63197996       1.10215000       7.37793002      -0.15395261       0.34279857      -0.50710626
Li       5.82082994       0.08062410       2.53348004       0.59570300       0.68850993      -0.43356166
Li       7.69377995       8.16529997       5.29304004       0.58290428       0.01080646       0.13869925
Li       4.91449005       3.44951997       8.78458001       0.06627722       0.30135084      -0.35099265
Li       7.86246005       6.58606997       9.86037000      -1.00198258       0.47737239       0.55737428
Li      10.90159996       7.96366005       7.17602002      -0.11949521      -0.70349212       0.42205755
Li       1.41870995       6.99681002       3.97522003      -0.46482037      -0.46471624       0.44229070
Li       4.89690997      10.20760000       3.98142000      -3.32329328       0.93269448       1.24561843
Li       4.72894001       4.45206001       0.04510408       2.46654620       1.41112173      -1.61906665
Li       3.07780995       5.82232995       8.11743005      -1.28033100      -0.30733279      -2.34985538
Li      10.04750002      10.23159997       8.28690996      -0.73903156       0.60853603       0.04725922
Li       0.32857806       3.58674003       8.22366005       0.45474761      -0.26100539       0.39320145
Li       2.10800000      10.30320003       1.53689995       3.58313009      -1.28777475       0.83713546
Li       5.66299997      10.22380002      10.51059998      -1.57561837       0.94354349       0.46238629
Li      10.74040004       5.10463997       3.98816994      -0.22534052      -0.45408904       0.38780261
60
Lattice="11.69144674 0.0 0.0 0.0 11.69144674 0.0 0.0 0.0 11.69144674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-461.57981449 stress="-0.02663270239750087 -0.0019524609018686289 0.002883272343403303 -0.0019524609018686289 -0.02066208523469175 -0.00722685808772975 0.002883272343403303 -0.00722685808772975 -0.02378996409956852" free_energy=-461.57981449 pbc="T T T" config_type=melt 
Cl       0.88969501       7.71622005       6.35248995      -1.51181928      -1.19554480      -3.68328748
Cl       4.96338999       6.91994004       5.54694997      -0.33526550      -0.81356524       0.68586337
Cl       8.54339002       0.88461099       8.04999998      -0.48427542       0.99558781       0.72025072
Cl       5.46773001       0.52161296       2.44633001       0.54018858       0.37036867      -0.60714088
Cl       6.50906005       8.63591999      11.58439997       1.30099228       1.92633288      -0.76811428
Cl       3.82231999       1.06827999      11.20370004       1.71860687      -0.64750603      -2.42886769
Cl       9.22394995       5.02636995       4.44124998      -0.39919404       1.66861421      -1.59840873
Cl       0.70044498       4.41755002       8.19781003       6.93793699      -1.25641851      -1.54302247
Cl      10.85769998      10.46559995       6.73887005       0.70333329       0.77444802       0.39899092
Cl       2.01487003       2.38069002       4.78417005       0.43927418       0.24712917      -0.62504087
Cl       1.85826006       3.36684005       0.56838705      -0.50756179       1.07401656       0.03410803
Cl       4.84940996       4.21194003       8.30629999      -0.42194102       0.24912728       0.30361583
Cl       3.38879998       7.68656001       2.36306995       0.54726569       0.01123877       0.31289058
Cl      10.92220005       2.01665005       6.73484994      -0.03215014       1.18204121      -1.09550372
Cl       2.63305995       7.43403003       9.95041004      -0.19731391      -0.93073243      -1.95213086
Cl      10.78270005       7.32688996      10.43260003      -0.18069788       0.39088432       0.10510582
Cl       9.16072997       4.18875004       9.92120995      -0.59687174      -0.42007559       0.35859956
Cl       7.08592001       3.68920995       5.83612002       1.35537295       1.07603668       0.96313221
Cl       9.55350004       6.27475995       7.07717995       0.56958753      -3.39946737      -2.38823800
Cl       7.38835002       9.97689000       4.62513995      -0.63049862       0.01829533      -0.07028420
Cl       5.15521998       1.60827997       5.59461997      -0.78955803      -1.35776061      -0.15531407
Cl       7.60171998       5.44450004       1.23256002       0.35074070      -0.04556826       0.16047499
Cl       0.08632707       6.16908003       2.25176002       0.11849034       0.05852659      -0.46991758
Cl       4.40645998       5.70345998      11.59879997      -0.12851613      -1.55566127       0.17399170
Cl       0.97473801      11.00979997      11.03029999      -0.36934770       0.39196176       0.23970410
Cl       7.63669003       7.81432005       8.53868000      -1.64696017      -0.53047555       0.59831981
Cl       3.05341995       9.77505003       5.59241999       0.57304967       2.18728608       0.91503139
Cl       8.44713995      11.18849999       1.11071994       1.19386516       0.21388425      -0.33036884
Cl       2.32064006      11.52129995       2.73947000      -0.80992134       0.00808809      -0.67463877
Cl      10.46510003       2.51559002       3.03377996       0.59204980      -0.01635318      -0.96860956
K        6.60238994       2.68350994       0.45336005      -0.05422478      -0.29673879      -0.26477727
K        9.80597005       8.79902000       5.27299996      -0.92568995      -2.41884589      -1.81995237
K       11.30259998       0.22122298       8.82372005      -0.11944234       0.80073320       0.78791960
K        7.20824995      10.36219998       8.04428005      -0.91309835      -0.02384294      -0.51160026
K       10.73670005       2.68571004       0.16296404       0.03174970      -0.14279553      -0.29224284
K        3.79866001       4.02191006       2.89213002      -0.04386836       0.24321786       0.11650393
K        8.44901000       1.51920003       4.53093004      -0.90970964      -1.09630932       0.48416706
K        3.92836001       0.91095696       8.11052999      -0.12507797       0.19623828       0.01783354
K        2.92339996       9.22353000       0.04325321       0.81749054       1.93637806       1.04124451
Li       2.86351999       1.65046002       1.08649000      -0.37559177      -1.06225825       1.63848876
Li       0.90442600       9.65117997       5.65503003       0.18004113       0.88831416      -0.17437677
Li       6.53621998      10.18039997       1.75618999       0.31146286       0.36659266       0.22337449
Li       0.84361505       3.46318996       6.13677995       0.00275456       0.08078565       0.38780198
Li      11.15864869      10.09059995       0.52302798      -0.89007600      -0.24130787       0.16982111
Li       1.48556000       7.56014999       8.04342003       1.16108270      -0.61343264       4.01343539
Li       2.13379004       6.51150005       0.97734205      -0.70708831      -0.76598644      -0.11671597
Li      10.02029999       3.97077997       5.92708006       0.12588464      -0.27808756       1.01053731
Li       5.07572995       6.81448998       8.50651999       0.24361203      -0.34857734       0.02894717
Li       8.72121996       7.11134995      11.64430005      -0.14617702      -0.15000655      -0.28669401
Li       9.75194001       7.56617997       8.36110996       0.70778173       2.37597204       2.80459243
Li       3.23391005       4.40457006      10.03929999      -0.09236546       0.06015424       0.02345192
Li       0.72252895       1.47733004       2.90867002       0.40152405       0.05570938       0.71006570
Li       9.54113996       4.68442997       2.40975004       0.44230487       0.44609608      -0.32012633
Li      10.81800003       4.82734002       8.72102998      -5.91995945       2.27566195       1.81024552
Li       4.25790004      11.50719994       4.09707998      -0.26174453       0.20305815       0.67506966
Li       3.70904998       8.25293006       4.50654005       0.08429900      -0.82804498      -0.94509531
Li       6.99553998       6.47461997       5.48607003       1.42832902      -0.67827034       0.11077728
Li       5.06231004       3.78319994       5.94937997      -0.89692467       0.01979650       0.74668580
Li       8.29783000       3.10784001       8.15453005      -0.40162849      -0.05678711      -0.35763779
Li       5.32665003       7.39610005       0.69982697      -1.05451106      -1.62215549       1.67706476
60
Lattice="11.69144674 0.0 0.0 0.0 11.69144674 0.0 0.0 0.0 11.69144674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-463.74920833 stress="-0.017464002255899103 -0.0017608425521721356 0.0002734338863222538 -0.0017608425521721356 -0.016088095934847384 -0.0012741493000819604 0.0002734338863222538 -0.0012741493000819604 -0.01798104496470256" free_energy=-463.74920833 pbc="T T T" config_type=melt 
Cl       6.06133995       3.29737999       3.18758001      -3.30545237      -1.00639443      -1.20738999
Cl       1.73264002       1.36675000       4.92133001       0.73238564       0.16444784      -0.22803481
Cl       8.81203000       5.76537998       7.30628998       0.07442189       0.19674511       0.77712810
Cl       7.87589995      11.68720006      10.23679998      -0.11014010      -0.17820623       3.12235163
Cl       5.13428001       5.96843995      10.87369996      -1.28846589       0.20263654       0.95938061
Cl       1.46552998       4.98002996       6.98605997       3.15815148       0.77714061      -0.19200820
Cl       3.50281999      11.49570000       1.24478997      -0.02622700       1.28728934      -0.20123574
Cl       1.88919995       8.63927999       2.49623004       2.00824439      -0.11168331      -0.97134778
Cl       3.70709003       1.96331004       9.47095000       0.46306117       1.66690441      -0.04665902
Cl       2.99363001       4.00034998       1.36738005      -0.45367344       0.36703098      -0.66994315
Cl       7.03678004       3.29707999      10.81410000       0.40441163       0.23845018      -0.95499416
Cl      10.21190000       9.33633995       2.44060997      -0.24256382      -0.28832035       0.10889631
Cl       7.49730998       6.69239000       3.78514996      -1.11360650       0.34326731       0.63412182
Cl       7.78702006       9.72103999       7.73599999       1.21487405      -2.95067570      -2.11387877
Cl       3.78170998       8.39673999       7.71465000      -0.20926808       0.52225934      -0.26109115
Cl       4.87721000      11.57002569       6.98802004       0.06767426       0.09208907      -0.12486383
Cl       8.13578001       2.05428996       7.89635999      -1.27364507       0.10098312       0.22218723
Cl       0.65165096       9.06970996       5.68896995       0.40529031       1.57041470       0.06733364
Cl       8.48325004       1.05988004       1.58538999      -0.95545445      -0.45801883       1.18469847
Cl       7.89048001       6.85451997       0.21069706       1.49577336       0.55856246      -0.63516112
Cl      10.14609995       3.36645996       5.88829006       1.45747661      -0.94349140       0.00821408
Cl       5.47158994       5.24933998       7.88888003       1.53416586      -1.85490025      -0.75290372
Cl       0.34831404       4.56567001      10.02230004      -0.24555710       0.11107171       0.45356767
Cl       9.97833003       4.73228002       1.60031997      -1.50540301       0.08144988      -0.91087997
Cl       2.81434998       9.20734997      10.92149997      -0.19791308      -0.52475540      -0.24599333
Cl       0.09556191      11.67653968      11.19402280       3.08394441       2.79334507       0.57888349
Cl      10.71400005       7.72413995       9.18962994       0.88754437       0.35994679       0.07790097
Cl       0.50329200       1.10802004       8.14032997       0.40996378       0.13958031      -0.07975976
Cl      11.42709997       6.22351996       4.58504998      -1.04004942       0.71608921      -0.32144525
Cl       5.71973003       9.72323003       2.08826998       1.15433536      -2.18504097      -0.59259031
K        4.50532998       8.07761003       4.73992003      -0.10757287       0.11684334       0.44427354
K       10.05020004       2.23413002      11.44510001       0.37771998       0.58807278      -0.84347642
K        6.46455001       0.03083081       3.51937999       0.15016056       1.38262827       1.33512301
K        8.05925995       3.79901005       4.39173004       2.46258237       1.17906897       1.39440534
K        6.16566998       8.61868001       9.79572004      -0.46604847      -0.48198670      -0.04778994
K        9.68797997       0.39910297       6.42726996       1.26651050      -0.49456449      -0.54636982
K       10.29740002       9.86902003      11.19349996      -2.72504890      -3.04389663      -0.00647442
K        4.02406000       2.59767006       6.58503002      -0.11199237       0.60207829      -0.24145630
K        0.44728202       4.05135005       2.78794999       1.17844318      -0.76032510       1.28521456
Li       9.20415002       7.18616001       5.85718005      -0.07992306       0.28896182      -1.02703268
Li       3.87057001       6.33408001       7.79425005      -1.66176237       0.25147786       0.03619273
Li       1.60042005       2.99744002       8.91274995      -0.25916756      -0.32316941      -0.30603672
Li       7.44821000      11.41560003       8.40456999      -1.21306829       2.36954355      -1.53157409
Li       1.42621995       7.32549996      10.16999996       0.11245768       0.32627386      -0.14308270
Li       3.87306999       3.28472003       3.04766005       0.01495952      -0.76098140       0.57629919
Li       3.79984997       9.01011000       1.56580997      -0.96614594       0.59538114      -1.16479538
Li      11.59922917       7.76701997       7.06164997       0.17129421      -0.97280939       0.53498983
Li       7.21851001      10.99269994       0.69341199       0.27189034       0.26493287      -0.15594979
Li      11.44399996       4.27318006       7.48681995      -2.34595551      -0.82564948       0.26223658
Li       0.30658504       8.39230999       3.58511994      -2.04790221      -0.42662565       1.28593328
Li       9.33222000       6.58640002       2.79177999       1.11019375       0.38592717      -0.71020893
Li       8.14011999       4.19859997       8.59440004      -0.87376216      -0.23168778       0.12567733
Li       6.24347995       1.83692001       9.36537998       0.05011256       0.02686666      -0.03824249
Li       2.31648001      11.53719996       6.77582005      -0.35566622       0.02227879      -0.30428161
Li       6.83945004       3.41247001       1.15096997       0.32677462       0.00379796       0.48713153
Li       6.16127002       7.08671000       1.35193998      -0.18301583      -0.16651421       0.10156863
Li       3.18996003       0.20050597      10.35029996      -0.85577521      -1.69370493       1.21095278
Li       3.58434995       4.13049004      10.92949996       0.63343588       0.28862430      -0.11481324
Li       1.42241005      10.67600005       1.23333002      -0.14070952      -0.02053900      -0.13829626
Li       9.93543002       6.12807999      10.45950006      -0.31731791      -0.27852056       0.55539848
60
Lattice="11.69144674 0.0 0.0 0.0 11.69144674 0.0 0.0 0.0 11.69144674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-464.80238939 stress="-0.014483919743138472 0.0020569835417735736 -0.0021083800101347728 0.0020569835417735736 -0.0101501073407749 0.0005543586883426829 -0.0021083800101347728 0.0005543586883426829 -0.028265447973761872" free_energy=-464.80238939 pbc="T T T" config_type=melt 
Cl       6.20642999       2.98460994      10.97539999      -0.18499379      -0.29697439      -0.64324265
Cl      11.07269995       5.42034002       2.58624003      -0.64594225       0.11727720      -0.10602752
Cl       4.36197999       3.83519005       7.49131005      -1.89728220       0.55663540      -0.45852490
Cl       0.37416803       0.64838297       1.76099996      -0.04465290       0.62670966       1.30181417
Cl       5.93232998      10.26550002       3.46325999      -0.42255952       0.14538498       0.48520379
Cl      11.52110002       9.72593005       4.20156001       0.18796760      -0.75798382      -1.03574331
Cl       2.66487997       3.84419995       0.04119540       0.04609432      -0.92827953      -0.17700211
Cl       0.18316300       6.48860002      10.52079995      -0.13730699       0.69988988      -0.23663564
Cl       3.49326995       8.80012004       7.52674998      -0.22085949       0.24838795       0.14332253
Cl       5.34689002       4.83917001       1.86420995       1.51215631       2.89999593       5.93817256
Cl       3.23055999      11.28650004      11.55949999       1.71197557      -0.71155630      -1.69075548
Cl       8.01062997       6.42670000       0.57486703       1.45265040      -0.86093089      -0.44538638
Cl       0.36534999       0.84740202      10.19490005      -0.75605123       0.20946364      -1.37878575
Cl       7.21472000       9.95909000       6.73146001      -0.93989556       0.70998790      -0.04879856
Cl       1.96722001       0.78875995       6.38595005       0.28800890      -0.09142616       0.69328487
Cl      11.13579998       7.83254000       7.30478003       0.16926561       0.41676300      -0.55375798
Cl       9.34014996       2.10689001       4.09289000       1.14125524       1.83900814      -1.90308026
Cl       3.70557002       1.45799005       3.23699999       0.07101763       0.28761922       1.23810563
Cl       8.29238997       7.39845003       3.96163001       0.49686565       0.11891348       0.79364050
Cl       7.43294997       1.91429997       6.85228994      -0.23665079       0.20416266       0.08493711
Cl      11.22400002       3.15864999       8.13792001       0.39864707       2.69945952      -0.00397622
Cl       5.22579002       7.99261999       1.20077998       0.92820775      -0.20261019      -2.47077032
Cl      10.13000001      11.19649998       7.11098004      -0.56308347       0.07144140      -0.14527412
Cl       6.09719996       4.76241999       5.25472997       1.23081215       0.26406045      -0.64916652
Cl       2.99428006       6.87338996       4.31580006       1.41608302      -0.04191537       1.09920631
Cl       0.24193006       5.14173997       5.72840999       0.82866688       0.02541246      -0.04827599
Cl       2.34040000       8.96514996       1.83774999      -0.63857991      -0.05408233       0.50663347
Cl       8.12258001       0.11571399       0.30078304       0.11429493       1.23524386      -0.07313099
Cl       9.94863995       9.55542001       1.11974995       0.04567511       0.00037230       2.12132220
Cl       8.15523995       7.44708002       8.61663004      -0.35685025      -0.74420274       0.39335906
K        2.10417000       5.54632997       2.24168000       0.23623391       0.02553123      -1.05238854
K        3.20235998       2.21956002       9.21310006      -0.65471244      -1.37370936       1.09711599
K        5.53361003       7.53521003       5.93035004       0.42026716       0.31377709       0.51872103
K        4.88201998       0.05488702       5.95808998       0.10805542      -0.05904732       0.16410786
K        0.66226598       2.08995998       4.39750000      -0.43750397       0.19589777      -0.67279030
K       10.19220003       9.14585997      10.31140006       0.14124442      -0.46861816      -2.01941257
K        2.54097005       8.57258999      10.47469999       0.14016141      -0.20215944      -0.21886081
K        7.38478998       0.60822296       9.47087997      -0.24044556       0.03462101      -1.05249624
K        7.69407002       3.32937001       1.85068996       0.39853708       0.09716927      -0.21000640
Li       9.75171998       0.43487096       1.74274997       0.97125112      -0.40885971       0.06392344
Li       6.82798997       7.47490005      10.92510000      -0.23759411       0.16824579      -0.48151548
Li       8.89682000       8.83491005       6.15432998       0.65948314      -0.60419957       0.06614869
Li      10.89530002       1.23192003       8.03837997       0.39665021      -1.44596765       0.50927933
Li       0.91878006       4.67227998      11.08720004      -1.01943342      -0.42534020      -0.30910218
Li       0.00597468      10.08229996       6.18440003       0.64579281      -0.08172247       1.41282082
Li       7.21847003      10.82549998       1.81670000      -0.56790693      -1.20940360       0.53517867
Li       2.71339995      10.80899996       3.14785995      -0.34035206      -0.19573861      -0.02804563
Li       6.43150998       4.10398004       7.43919998       0.92571944      -0.34877380      -0.32322189
Li      10.71810001       7.96105005       2.61998996      -0.46493742       0.09835556      -0.18071819
Li      10.13469997       4.93171997       4.61974996      -0.72733250       0.08308955      -0.71523949
Li       6.96219995       6.72879003       2.35209999      -0.46961211      -0.04629383      -0.05023102
Li      10.19579994       5.71455001       7.99922999       0.26140424       0.44983228       0.37052704
Li       1.04946997       7.56168999       4.95084004      -0.70763207       0.29745400       0.67646431
Li       4.69925005       4.08068997       0.47043798      -1.43229022      -2.67198171      -5.05076650
Li       3.27576999       0.87240605       1.35253004      -0.17105091       1.34119768      -0.07384102
Li       8.59558005       0.62249495       5.02900999      -1.15685397      -2.01776401       2.36037658
Li       4.77122996       8.22564000       3.08692004      -1.04285125       0.62022527       1.17624365
Li       4.06174995       4.36772002       4.81690996       0.11935850       0.08326179      -0.00863617
Li       1.22905001      11.58289996       0.04487376      -0.64063547      -0.69670520       0.19511477
Li       1.67044001       4.04997000       6.99516001      -0.10795018      -0.23860099       0.57058280
60
Lattice="11.69144674 0.0 0.0 0.0 11.69144674 0.0 0.0 0.0 11.69144674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-465.40201785 stress="-0.016932360438797384 -0.00038635258557880963 -6.412490899330443e-05 -0.00038635258557880963 -0.01107643521919503 -0.004170037836817248 -6.412490899330443e-05 -0.004170037836817248 -0.019772087046297262" free_energy=-465.40201785 pbc="T T T" config_type=melt 
Cl       9.25094001       7.20456995       1.51539996      -2.09657490       0.30806001      -0.43539632
Cl       8.18574995       6.13119997       7.05022006       0.17006549       0.32468346       0.10419146
Cl       7.56902005       1.50135000       0.64988006      -0.24094128      -0.36203837       0.49192419
Cl       0.99769499       3.72003000       4.26682003       1.80162116       1.25628997       1.38071546
Cl       1.85761001       0.69526403       2.25962006       0.53478258      -0.14067392      -0.00558438
Cl      10.63049998       5.79785999      10.40320001      -0.67452820      -0.36954032      -0.74636415
Cl       6.29480002       7.97652999      10.06780000      -0.19421646      -0.36194517       0.79263665
Cl       4.38974998       2.25311996       3.94390005       0.68482370      -0.06761146      -0.14877984
Cl      11.10810002       6.88669004       5.61926005      -0.49594915      -0.49094967      -1.23767746
Cl      11.51160668       8.82983000       8.10846995       0.57404302       0.19466653       0.62515202
Cl       6.27189999       9.43959997       2.19804004       0.52521753       0.10517274      -1.22493264
Cl       2.19928003       9.03508001      11.59500820       0.30463135       0.98679328       0.68248275
Cl       0.89511096       1.29448002       9.33832995      -1.87973236       2.61413218       1.87940531
Cl       4.44000999       6.31493994       4.35337005       0.30932430      -0.31950428      -0.13455077
Cl       7.62291003       9.12141000       5.46964004      -1.95536444       0.62606919      -0.36640399
Cl       5.76325003       4.40384004      10.69299999       0.20986659       0.09266285      -0.31404926
Cl       9.32983003       2.07422996       9.89247997       1.14683864       0.68423305       0.18170316
Cl       1.06927996       5.10585004       7.89311000       0.48522930      -0.26485372      -0.13691990
Cl       1.93190004       4.15096995       0.06410642       1.29748495       0.65910212      -1.03127195
Cl       3.74828005       2.89812001       7.05698005      -0.40961493      -0.55521305       0.99807759
Cl      10.47359994      10.37789996       5.34548997       0.51871978      -1.00551475       1.90330043
Cl       4.96173004       6.60243998       7.50682004      -0.56629781       0.27126013       0.78494774
Cl       9.75175003       2.19754000       3.94499004      -0.50677368      -0.29870894       3.37630269
Cl      10.53040003      11.43030004       1.86955996      -1.01905876      -0.87599557      -1.54481168
Cl      10.86040000       3.74500001       1.28220003       0.77344420       0.00211617       0.82875285
Cl       8.10936002      10.47969995       8.63623998      -0.52024553       2.50655423       2.34334329
Cl       1.53599994       8.18416997       3.65504999       0.21480519       0.04159047      -1.10883078
Cl       4.89645003       0.78626698       9.28139997       0.14392377       0.07395953       0.23336968
Cl       3.48725996      10.36110005       5.35862005       0.36998954      -0.06152334       0.48441291
Cl       7.60582005       2.89977003       7.26787995      -0.09600730       0.41305868       0.23713043
K       10.52929998      11.06510005      10.15300001       0.32998359      -0.22149036       0.17696419
K        4.37299006       7.15843995       1.36436003      -0.24166019      -0.15705183       0.23370984
K        0.00503527       7.43743995       0.82602795       1.42510325      -0.36877513       0.06978037
K        8.19946998       6.99150000       4.02967996       0.84941906      -0.95095097      -0.35123859
K        2.11186005      11.51169998       7.93653998       2.03609076      -2.20796956      -2.35013862
K       10.15420002       1.65752002       7.16233004       0.08710558      -0.43084815      -0.62156508
K        5.18839995       9.75417998       8.29000995       0.00930372       0.33424651      -0.86633976
K        4.82882004       0.40340495       0.56024396      -0.56772532       0.12455374       0.36953313
K        2.60614004       7.18383996       9.67637995      -0.33786404      -0.65306595      -0.92627199
Li      10.54769998      11.66540439       3.95684996       0.36200435       1.52518723      -1.09898021
Li       4.14536998       4.84508004       6.60983003       0.19835732       0.95795255      -0.73307563
Li       6.26688997       6.83472997       5.64696001      -0.32948242       0.31242440       0.74611851
Li      10.63659999       6.50227994       7.63491995      -0.05791625      -0.07695223       1.06594684
Li       7.70319005       7.28651998      11.44339995       0.90591817      -0.47394353       0.48428255
Li       1.25340996       5.79558004       5.04825002      -0.02028506       0.49408581      -0.08455046
Li       1.21314006       2.54077994       1.39202995      -0.01555516       0.24255664      -0.32472293
Li      11.65832148       3.51742998       9.29098006       0.13870212       0.37467366       0.65135169
Li       3.56229999       4.07711999       9.90687004      -0.17339821      -0.70559100       0.20133188
Li       5.85893003       1.97846005       6.66578997      -0.95528913      -0.40494237      -0.37636590
Li       8.26050003      10.41869995       0.83288697      -0.05061711       0.24938369       0.67449426
Li       7.23755000       2.38786997      10.09280005      -1.07765769      -0.12745782      -0.40587336
Li       0.77793297       8.64449005       5.73443003      -0.41533107       0.68579450       0.04043963
Li      11.22300005       3.22937003       3.27056005      -1.23365892       0.26448038      -1.93245226
Li       8.42210997       9.13096998       7.39411999       1.32152356      -2.38786403      -1.58242831
Li       6.69051002       5.55745999       8.69021998       0.02836569       0.00498010       0.06043772
Li       8.56506000       1.44491995       2.67124001      -1.50496351      -1.01176469      -2.03026715
Li       9.33101999       3.66952997       0.03605327      -0.93429654      -0.06348578      -1.33732480
Li       2.75351996       3.18315000       5.09763995       1.32351539      -1.00792116      -0.10928212
Li       5.31957004       9.94758001       4.00873005      -0.43263778       0.19132260       1.23445856
Li       1.48755000      10.26020006       2.08032997      -0.07656042      -0.49789929       0.22975250
60
Lattice="11.69144674 0.0 0.0 0.0 11.69144674 0.0 0.0 0.0 11.69144674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-462.89023029 stress="-0.024218257597982795 -0.004632949378760527 -0.0012490013672779715 -0.004632949378760527 -0.02317067728242312 0.0003912697400908174 -0.0012490013672779715 0.0003912697400908174 -0.01476975062099221" free_energy=-462.89023029 pbc="T T T" config_type=melt 
Cl       8.71379999       6.30289004       4.31579000       0.26334747      -0.23961447       0.39483810
Cl       2.15443001       6.18609003       6.20577994      -0.52677420      -0.26467005      -0.55834684
Cl       7.95627000       9.80310003       4.30886001       0.14165282       0.27295621       0.10973142
Cl       2.53311994       0.50954996       6.43644997       0.22270294       0.17844436      -0.75740279
Cl       5.39060996      10.38339996      11.38999997      -0.05329035       0.18995679       0.06628451
Cl       9.65451998      11.29670001       0.71194796       0.38699941      -0.06449220      -0.11341250
Cl       4.67948998      10.09710005       3.41765996      -0.34740398      -0.71912267      -0.19211960
Cl       6.23684003       7.25022002       6.97644995      -0.30036838       0.03836696       0.78950095
Cl       1.81166999       3.85399995       2.95949005       3.90934842       1.76160160       1.15466138
Cl      10.17500004       2.12303999       2.32023998      -0.47093014       0.10245030       0.32986289
Cl       8.43975996       8.94586994      10.40990003       0.70474338      -1.97939709      -0.75673048
Cl      11.52219995       5.06272006       0.54061904      -0.37114559       0.23465335      -0.25829126
Cl       8.58284000       2.03224995       6.15293005      -2.49897463      -0.21605972      -1.61244298
Cl      11.03610000      10.60700005       6.92683005      -0.35486847       0.39261787       0.22660175
Cl       0.67335297       8.68561004       1.71497997      -0.20471094      -1.37106216      -1.62005959
Cl      11.64130002       8.54566997       4.49393994       0.47746266      -0.98447251       1.10971865
Cl       8.15990004       4.28608005       9.35901995       0.04909993       0.47159820      -0.18419946
Cl       9.87210003       6.72806002       8.28784001       0.20057111       1.00103473      -1.62259391
Cl       0.57761300       8.96842999       9.57314997       2.82361446      -0.59000266       0.97102612
Cl      10.69739995       3.97516999       6.48129999       2.86420304       0.15009171      -0.53545766
Cl       3.82798999       7.89352002      10.43179998      -0.13699877      -0.35800661      -0.56796544
Cl       8.12956004       0.73747401       9.10860997       0.08746756      -1.46613240       0.18873065
Cl       4.27181999       1.55812998       2.89138001       1.37111998      -0.67027139      -0.60792657
Cl       5.69836999       6.52801995       0.81607900       1.00874613      -0.01152615       1.40553320
Cl       1.93575997       1.18008997       1.13506001      -0.89611198      -3.08017352      -0.40152297
Cl       5.11526002       4.10197004       4.01048997       0.97097343       1.22828187       0.56069452
Cl       6.90515995       1.34726994       0.64448504       0.73207456      -0.01060738       0.37854323
Cl      11.14899997       2.27560004       9.87507000       1.29596707       0.37078623      -1.87598265
Cl       3.11371006       3.99987998      11.04580004       3.10708308      -1.18086498      -0.22398345
Cl       4.78686996       3.67530005       7.76269998      -0.58847119      -0.98344520       1.59883263
K        8.87966000       8.81272003       1.63054996       0.05964598      -1.00307708       0.59392154
K        2.23494000       1.04969994       9.17942004      -0.21705776      -0.06446673       0.64939495
K        7.22756001       3.94659002       0.22945096       0.24038223       1.18153619       0.99424981
K        0.29793898      10.97810002       2.84699998      -0.50274185       1.48860989       0.65986317
K        5.70614001       0.44289001       6.02213000       0.35325113      -0.01833615      -0.26927841
K        1.92835005       5.88788998      10.02870006      -2.37746722       2.32839676      -1.28960932
K        1.59267996       3.73110005       7.18909995       0.83234960      -0.71388515       0.25019767
K        2.51983998       8.78713997       6.67198001      -0.00895813       1.08032079       0.32652693
K        2.20251997      10.03379998       0.06214168       0.78341202       0.29851810      -0.85821803
Li       6.76980994       7.46803004       4.96588004       0.59985041       0.30745503      -0.88735453
Li      10.00860001       9.52481998       5.25175006      -1.11656258       0.51721414       0.72185485
Li       0.13235326       3.30325997       2.75912005      -4.30196522      -0.63097541      -0.72073531
Li      10.36289995       1.76247005      11.63292415      -0.63889523      -0.62480656       1.37874085
Li      10.51660003       9.35105001       8.99253998      -2.44182054       0.58718048      -1.12596615
Li       0.89395199       7.18909001       3.13666995       0.36651899      -0.84711774      -0.15551557
Li       7.02283004       2.45297005       9.20441004      -0.50440227       0.45956882      -0.48833636
Li       4.98708002       0.57494805       0.83042604      -0.74022269      -0.36331019       0.69404359
Li       5.06167005       8.79488999       1.39540001      -0.04077852      -0.00812638       0.03870727
Li       3.87693997       3.70339003       2.39299000       0.40207099       0.08395341      -0.21635135
Li       2.73661004       1.25195998       4.20441003      -0.44719312      -0.03306991       0.64103830
Li       7.85937000      10.72039995      11.05660001      -0.79816290       2.41358109       0.14130325
Li       5.61063001       4.24960998       6.03703005       0.58050726       0.76021679      -0.71773220
Li       2.08347006       3.01126995       0.66570700      -1.60304176       1.60867107       0.71291676
Li       4.78055997       5.81860997      10.80690006      -0.44401325       0.25840055      -0.81975658
Li       7.61373002       8.41324002       8.43603997      -0.11159144      -0.59400660      -0.36632849
Li      11.19229995       6.40770000       5.62403004      -0.20180280      -0.05719791       0.46602780
Li       8.18784997       1.06478004       2.71911005      -0.01411837      -0.20102024      -0.19877096
Li      10.16060004       1.90355003       7.39040000       0.66650511      -0.51716314       1.31394692
Li       8.89742994       4.64815995       6.52833001      -2.30977454       0.78532062       0.11803516
Li       9.87137995       6.17800995      10.25919997       0.06894765      -0.68530359       1.01706257
60
Lattice="11.69144674 0.0 0.0 0.0 11.69144674 0.0 0.0 0.0 11.69144674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-463.12452415 stress="-0.01816234870876478 0.003049431983073411 0.006031161867269709 0.003049431983073411 -0.019188083786074433 1.8694717930064557e-05 0.006031161867269709 1.8694717930064557e-05 -0.028697990042472105" free_energy=-463.12452415 pbc="T T T" config_type=melt 
Cl       1.48603000       1.87732004       5.90031003       0.00829954       0.25641351       0.05019738
Cl       2.56345995       5.91129999       7.30865002       0.53453296       0.37745437      -0.16679514
Cl      10.39259996       3.20072002       2.53106996       0.51588558       0.26305430      -1.31379557
Cl      10.68319999       8.00099995       3.13457999       0.01533826      -1.37020389       0.45186197
Cl       8.06013003       5.31167995       5.24118999      -0.61830461      -3.12770596      -5.12931955
Cl       8.52865997       0.11474196       8.75936004      -2.43846311       1.35473525      -1.81075991
Cl       2.47421995       5.08184995       3.62102005       5.27018791       0.35340302      -5.67477904
Cl       7.80135003       6.74039999       0.01585196      -0.66359853      -0.92628888      -0.86355282
Cl       3.83908997       1.20468995      10.93090001      -0.12794125       0.12502213       0.01519566
Cl       6.20823000       3.74098996       2.07681002      -1.86019003       0.60726514       0.03272146
Cl       6.95836001      10.13420005       5.47178998      -0.21744606      -0.48681258       0.78261445
Cl       0.10686298       4.70674999      10.57809996       0.19312582       0.17872942       0.51657509
Cl       1.87687003      10.24800003       9.43189005       0.02285661      -0.43457707      -1.26560353
Cl      11.47150000       1.34254005      11.12960000       0.18926954      -1.00232856      -0.23505047
Cl       4.72544006       4.06131000       9.72178999      -1.85389081       0.27483052       4.20826251
Cl       2.81566000       8.91906999       5.12348004      -0.52177721       0.40100485       0.49448138
Cl       5.83456003       2.03483995       7.08772002       0.01464561       0.39777327       0.29652616
Cl      10.78069999      10.82089998       5.65152002      -0.27918599      -0.03789139       0.13290144
Cl       5.29437006       7.70436995       3.28014002      -1.13980505      -0.25013666       0.49731330
Cl       6.51272006       7.03900001       7.38247998      -3.24787859       1.56089158       1.41882393
Cl       8.29186000       2.25606995       4.49201997       1.17823385      -3.83315517       2.64792320
Cl       8.30483002       4.61343004       8.23726995       0.37335030       0.51498534       1.59400224
Cl      11.14400001       5.33339996       5.97780001       0.16483914      -0.10961733       0.26076405
Cl       4.33541994       9.75083997       0.08393301       0.08458871      -0.54058380      -0.03467283
Cl       0.94209502      10.21319997       2.33048005       0.50981515       1.26063918      -0.39241200
Cl       4.51238004       0.18662296       3.00450002      -2.35639204      -0.97270602       2.48652999
Cl       1.94784004       7.31177000       0.63453503      -0.03498763       0.22275948       3.04539677
Cl       8.24588000      10.83360005       1.73786002       0.16030913      -0.54874847       0.64352997
Cl      10.21559999       9.63820001       9.91866998       0.35037288      -0.31059160       0.33278345
Cl       7.25831997       1.62800999       0.34520294      -0.16508475      -3.27658595      -2.25032500
K       11.55799998       8.08005004       6.90488006       0.45670054       0.48797533      -0.34938708
K        7.82052996       7.66309996       2.45530997       1.06964058       0.44365214       1.34741729
K        9.90113001       6.68995000       9.94059998      -0.09560374      -0.04462951      -0.29083423
K        1.90644004       3.51406003       8.82038003       0.12606613      -0.87384296      -0.50787753
K        2.31026004       2.36999000       1.37859998      -0.24561096      -0.14728712       0.18233915
K        4.87490001       9.90659997       7.98002994      -0.22713517       0.16432552      -0.08903949
K        3.91131996       3.01364004       4.91521995       0.78632370      -0.46732164       0.22238949
K        6.94217998       9.44233004      10.95459997       0.63750945       0.20273880      -0.03171071
K        4.55786994       5.84883002       0.96846906       0.16559093       0.46453889      -0.05045214
Li       1.99328002       7.03627006      10.54709998      -0.08511513      -0.64470102      -4.16669034
Li       8.80055005      10.95010005       6.96874996       0.35848026      -0.72394410      -1.70096355
Li       2.17097995      10.18180002      11.49250005       0.41146354      -0.04304483       1.36098330
Li       7.70152998       3.39921998       0.59089004       1.07523872       3.39863523       0.29669522
Li       9.44365001       0.22282997      10.38099994       1.10173851       0.02964269       3.15354906
Li       3.98072997       7.11209996       5.65114005       0.26646534      -0.30116991      -0.09137745
Li      10.85369998       3.06364997       0.21895800      -0.43170042       1.66067981       0.89402649
Li       5.73948997       2.24703001      10.15409994       0.07120112      -0.92694247       0.07943424
Li       5.39723000       4.51473002       8.11771999       2.25869869       1.24837340      -4.14464164
Li       1.26639004       5.06376995       4.79604003      -5.27678626      -0.08639278       5.40952913
Li       4.60523001       9.78318003       4.07897998       0.36338664      -0.08932116      -0.34161733
Li       8.19223005       2.90993001       7.15005005      -0.53689532      -1.11751519      -0.92124710
Li       0.08849747      11.41280005       9.87597001       0.29183491      -1.06412255      -0.84903244
Li       7.53382003       3.63298005       3.56352000      -0.50441795       3.05239326      -0.46766242
Li       7.55774997       0.05355606       4.31028006       0.38579625       0.61101634      -0.85873238
Li       5.75433998       0.97158401       1.88434999       2.23490930       1.27893757      -2.41815627
Li      10.22459995       9.98475998       2.58228002       0.31986464       0.64430637      -0.04767990
Li       9.99279001       4.06497994       4.52890006      -0.11252554       0.15466876       0.25182048
Li       1.53610996       7.96789995       2.60440000      -0.56113522       0.50235745       0.95010842
Li       1.16765004       0.04547119       4.70629005      -0.43942157      -0.63436779      -0.06876359
Li       8.12804003       6.49571999       6.55632997       2.07473267       1.89933345       2.47623476
60
Lattice="11.69144674 0.0 0.0 0.0 11.69144674 0.0 0.0 0.0 11.69144674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-458.18836459 stress="-0.032106551775992566 -0.002892115101321544 0.004417680140948416 -0.002892115101321544 -0.02994129593280856 -0.004753837180695429 0.004417680140948416 -0.004753837180695429 -0.030203807409096357" free_energy=-458.18836459 pbc="T T T" config_type=melt 
Cl      11.01739999       0.71377697       9.74229995      -0.18784724       0.54131326       0.83583761
Cl       9.36665002       1.90030998       7.37626995       2.12297514      -0.48875136      -5.51595186
Cl       3.04920998       9.81489004       4.71042006      -0.75230528       0.44603158      -0.07747991
Cl       9.81040005       1.76026995       1.58294005       1.27619760       1.24638252       0.98893267
Cl       3.11148997       8.87419004       0.57899996       6.29476182      -1.10818037      -2.79695480
Cl       6.65534998       4.88235997       1.36922999       1.33883661      -0.96287199      -0.54702870
Cl       5.46271999       8.44748999      10.01740004       1.46359514      -0.70413242      -0.06089054
Cl       9.17289995      10.07930005       4.62978999      -0.23254857       1.52811267       2.49144849
Cl       1.09041003      10.38339996       7.93775005       0.54853896       0.05864694      -0.49720197
Cl       4.94523002       4.67214998       9.71655994       1.56370558       3.36999084       1.37369092
Cl       2.11199006       2.31988000       9.42029003       0.84655876       4.18224368       1.38390138
Cl       2.31062996       4.55521996       5.89915001       0.25307001      -0.90402878      -1.14097316
Cl      11.60369998       5.13584000       9.06005002       1.27888674       1.29995625       0.58596030
Cl       5.48382995      10.55629997       6.86732000       1.36606473      -2.46720820       0.41415933
Cl       6.26341995       4.32654005       4.50756001      -0.23453699       0.07147741       1.18671998
Cl       0.57502896      11.30899999       1.32321000       0.19604674      -0.50265888       0.19142059
Cl       1.77503005       3.02404005       2.15497997      -0.04068809       0.31538218      -0.29120404
Cl       6.83821005       9.59101006       1.56978998       2.23395896      -0.80909081       0.92446273
Cl       6.84430001       0.81412501      10.13379997       1.20607568       0.09790280      -3.44645856
Cl       9.42831995       9.02366004      10.92389999      -1.37564049      -0.44226608      -0.65860133
Cl       0.00198731       7.62605000       1.63959996      -0.46255822       0.05266069       0.50123149
Cl       4.34799000      11.37690006      10.71340005      -1.39013256      -0.10438187      -1.96727661
Cl       8.79342003       4.61775003      10.83009998       0.27039673      -1.47990626      -1.71946419
Cl       2.05238998       1.08660002       5.19436002       0.94693489       3.29187169      -0.37959174
Cl       5.56769995       1.59915001       2.75779997      -0.46705587      -0.09546767       1.24518047
Cl       6.85823002       5.79181995       7.42633998       1.50015593       1.30572348       0.33789309
Cl       4.84386003       6.58769006       2.58673996      -1.66276616       2.21660472       1.54507972
Cl      10.67480004       7.87792000       6.58657001       0.07602287      -0.31413235      -0.71286476
Cl       3.25256002       7.41050005       7.59003999      -1.56393081      -0.58603092      -0.07789248
Cl       4.86352002       2.03141003       7.50352001       0.06391303       0.52402847      -1.39616689
K        8.96429999       5.89949000       5.04583995      -0.14229529       0.34932215       0.57638332
K       10.57169995       5.01378995       0.80598203       1.77987035       0.37352246       1.37954208
K        5.38329006       9.21059996       3.67453005       0.33069963      -0.47186302       0.88113914
K        8.75743995      10.52049995       7.64035004       0.40458170      -0.00421070       0.45400010
K        9.47977997       6.95854999       8.90962003      -0.32214481       0.11691543       0.27606638
K       11.24309998       0.45031197       4.41603001      -1.14687262       0.06349340      -0.85702581
K        3.52946001       0.30577599       1.36733995      -1.35448938       0.35173599       1.21977893
K        7.40350003       1.23851003       0.76968699       0.03608155       0.40985974       1.72199802
K        1.83025004       7.24203999       4.95728004      -0.49844054       0.15301413      -0.10692889
Li       3.47178996       9.13569999      10.04819999      -0.77012905       0.42825456       0.05006625
Li       9.03551002       9.17212002       3.02609003      -0.24436057      -1.26092222      -3.39194093
Li       4.91832005       8.40107004       7.78006996       1.82098664       0.67194956       0.26248678
Li       1.79798995      11.16799998       5.92115997      -0.46359261      -4.65447608       2.53646991
Li       4.63322003       0.10472099       5.61526005      -1.17264782       1.64942855      -1.33430858
Li       7.12698002       5.28651001      10.09440003      -2.24566469       0.52443371      -0.80435983
Li       4.08584006       3.19381997       9.15182004      -1.93558184      -3.49682642      -0.59758939
Li       8.62654006       2.31580003       8.91585999      -2.46511131       0.76653629       5.33202580
Li       2.39336004       5.40665997       7.80910999      -0.42885655       0.11043030       1.08218532
Li      11.08330000       3.44645003       8.23136004      -0.15197304      -2.13905443      -0.54398827
Li      11.06270003       9.77944005       0.06205843       1.04972313       0.75150631       0.41368711
Li       1.62185000       9.06589001       1.34243997      -6.29243658       1.14355843       3.47423977
Li       5.59857998       6.85389003       0.70116506       0.29102022       0.21984132      -1.07404493
Li       2.73282002       2.54047994       4.05781998       0.52540164       1.37418046      -0.60733425
Li       1.65487004       0.65069998       8.88626999      -1.61587272      -3.88723439      -0.85098336
Li       5.55406000       4.24470998       7.07026995      -0.51543578      -0.68857329      -0.45533911
Li       5.92241002      10.44090002       0.11804106      -0.65037824       0.20889054      -2.44133401
Li       7.83374995       3.63794003       3.27308002      -0.64902849      -0.67138543      -1.22749550
Li       5.45689999       0.23555401       8.39469002       0.12397101       0.22660675       1.87756945
Li       0.13639300       2.11214006       0.20343795       0.00146073      -1.01513442      -0.12025799
Li       4.21795995       4.77689002       3.19822004       0.22482971      -1.18302092       0.15537527
60
Lattice="11.69144674 0.0 0.0 0.0 11.69144674 0.0 0.0 0.0 11.69144674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-465.95621566 stress="-0.0059395478541238245 -0.0004817400341384385 0.0028181797695596487 -0.0004817400341384385 -0.008037311007303398 0.00034528814290385137 0.0028181797695596487 0.00034528814290385137 -0.02119503271308751" free_energy=-465.95621566 pbc="T T T" config_type=melt 
Cl       1.67603004       2.77858000       7.14671003      -0.03362099       0.28829563       0.15352400
Cl      10.36559997       9.92300003       5.02255000       0.60629864       0.18614840      -0.02691197
Cl       6.09649999       6.10900002       3.67624998      -0.55532667      -0.06956878       0.92009808
Cl       8.58862996       3.60292999       4.35899002      -0.26162890      -0.24486621      -0.31196370
Cl       6.37634003       1.02616997       7.84795997      -2.32150501      -0.51843584       2.72626401
Cl       4.40959995       4.39564995      10.78099999       1.30125875       2.21688803       0.14803564
Cl       7.23353995      10.82799996      11.37409996      -0.17045687      -0.38056264       0.07292374
Cl       5.98931000       8.51705995       7.83351004       0.96323798       0.83927366      -0.72480816
Cl       8.11180997       2.10734002      10.13539994      -0.44951023       0.58925521       0.97779915
Cl       2.65295002       7.52062998       5.83165996      -0.55215863      -0.58877414       0.55286275
Cl       6.29912995       2.36796002       2.11849997       0.40376661      -0.57318574      -0.23025401
Cl       9.30313998       3.98177005       7.82476005       0.20838261       0.03408195      -0.02011620
Cl       9.33712000       7.41291001       2.46914996      -0.23527505      -0.32209172       0.29811213
Cl       0.34903704       6.49555000       9.11314006       0.70007658       0.39224926       0.43739416
Cl      10.97990003      11.41609996       8.96351000      -0.43996636       0.21510900      -1.49087165
Cl       1.10705000       2.19340005      10.65099999       0.24369767       2.53612360       5.96438969
Cl       9.86305997       4.19260003       0.46272805      -3.64420095       3.72442945      -3.40432788
Cl      10.04050000       0.67286696       1.01786998       0.36359312       0.13459450       0.73281552
Cl       1.34835000       4.01455006       2.82585004      -0.23871768      -0.44936353      -0.64228115
Cl       2.62537995      11.14580002       8.16779995       0.22912661      -0.36848206      -0.57871635
Cl      10.97239997       8.96384005      11.64657766      -0.38072794       0.13522531       0.39884944
Cl       1.93800005      11.04560000       2.72756004       0.33682964       0.16397699      -0.15585962
Cl       4.37140002       0.76346094      11.56800003      -0.01340083      -0.17101165      -0.07529991
Cl       0.16672202       5.95664001       4.93449996      -2.18859314       0.05104168      -1.00744302
Cl       4.37793998       2.02086996       4.58867001       0.21378109      -0.29105101      -0.23857992
Cl       7.90507000       6.86003997      10.42770002      -0.12111428       0.12579663       0.22374347
Cl       4.27979999       8.05662003       0.89297996       1.31550847       2.32984554      -1.21582216
Cl       7.86847004      10.44139994       3.02072003      -1.30957153       0.61698199       0.20770075
Cl       4.85710995       5.17004999       7.39357996       0.32163485      -0.84563997      -0.99295548
Cl       4.77124001       9.03055004       4.32707997       0.35368078       0.94900451       0.02210805
K        7.03588997       5.04108995       1.40109000       0.66729033      -0.03735566      -1.19350575
K        4.29404005       7.03894003       9.22396995      -0.85748505      -0.10489251       1.38039369
K        8.01575000       8.27047997       5.08597002      -0.95880358       0.05812212       0.09220657
K        7.42357998       1.25674003       5.76958995       1.65693182       0.25365682      -3.76639908
K        1.08519003       8.37845995       3.38025002      -0.12479004      -0.09944612      -0.28396443
K       10.97660000       7.69204997       6.87338003      -0.24977427       0.61373129       0.59016274
K        3.21871000       5.96788005       1.65943005      -0.91784617      -2.49651101       0.81580789
K        0.77324399       0.35593300       5.22412001       0.16512359       0.55516512       0.15922027
K        1.85299002       9.51067006      10.64290004       0.55586701       0.09300849       0.00184337
Li       8.22691004       0.96496303       2.20822002      -0.27567403       0.07364600       0.11595413
Li       9.84762001      10.22849998       2.31582996       0.88956482      -0.24323361      -0.52948407
Li       9.29489003       1.47745000       8.47856001       0.21045507       0.32448164       0.04807078
Li       9.69580996       5.48705995       4.37023999       0.33066039      -0.23787217      -0.47893469
Li       5.95076997       3.71351997       4.01200004       0.13842519       0.13881781       0.25159717
Li       3.52183999       2.70884999      10.94419996      -1.42636683      -2.02231301       0.28329962
Li       6.74263002       8.71432996       1.71067004      -0.39739618       0.22072664       0.01072012
Li       0.38465327       4.39541998       9.30386999      -0.28979187      -0.82335617      -0.04416317
Li       3.19233001       9.40730995       6.39804006       1.02988383       1.45767979       0.35913117
Li       1.02607995       1.59483002       9.03923994      -0.06698190      -2.77265212      -6.41415097
Li       5.78723995       0.25695321       9.83770005      -0.05118608      -0.37786760      -0.12057426
Li       4.01328995       2.01639997       6.68411000      -0.21907122       0.12312486       0.92782549
Li       7.39751004       4.84679003       9.24085999       0.33893319      -0.48031074      -0.36266523
Li       6.67254003       1.61747003      11.69060542      -0.24488948      -0.12259409       0.17801095
Li      10.95424876       3.30520005       1.47972001       4.24218249      -3.07646392       3.63872828
Li      11.22850006       0.02246745      10.97049999      -0.11756398       0.15879630       1.16554413
Li       7.81177003       9.23006996      10.01350001      -0.09307585      -0.48356345      -0.31479123
Li       1.76536006       5.58680997       6.04366003       1.14705348      -1.35917473       1.04083020
Li       4.40919999      11.65565677       2.79857997      -0.51315982      -0.00542484       0.07880743
Li       4.88432004       6.94884001       5.83711999       0.40584199       0.06167916      -0.14673971
Li       9.72302999       6.79161005       0.26148599       0.38054481      -0.09489239      -0.20319080
60
Lattice="11.69144674 0.0 0.0 0.0 11.69144674 0.0 0.0 0.0 11.69144674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-463.51785371 stress="-0.015753141290625928 -0.00864657328046813 -0.00356192219129403 -0.00864657328046813 -0.02745966430844077 0.007044056075643368 -0.00356192219129403 0.007044056075643368 -0.016726658878980942" free_energy=-463.51785371 pbc="T T T" config_type=melt 
Cl       3.41825003       4.21504995       8.02042997       0.68369689      -0.07438739       0.32238337
Cl       7.33856995       4.93625005       7.93869004      -0.38167154      -0.42812373       0.12298847
Cl       5.95846995       4.90599002       4.76807000       0.37507061      -0.82756924      -0.42314452
Cl       3.05072999      10.59649996       8.08972997       0.66291730       0.44772437      -0.40591822
Cl       3.35244004       7.61341996       6.28586004      -3.45572350      -5.04680545       0.02739395
Cl       8.62669006       8.14214997       7.38208996       1.02902041       0.59417633       0.98001348
Cl       5.05159003      11.17700005      11.07239995       0.20710670      -0.06765075      -0.15663574
Cl      11.66155744      10.17320003       9.04411995       0.71777742       0.28348262       0.29264347
Cl       6.52949003       2.76483004      10.98270001      -0.38556530      -2.01956594       1.05187513
Cl       6.44369995       6.18128999      11.04019995      -0.64081191       0.47692082       0.61571918
Cl       2.78338004       4.81793004       0.50758404      -0.58839117       1.19463556      -0.16019694
Cl       2.90525998       1.67924004       2.84609003       0.87583512      -0.47671422       0.80629262
Cl       4.79576996       7.53694001       3.27319998      -0.13818557      -0.02782499      -1.23711058
Cl       2.65488998      10.18580002       3.69199006      -0.00329230       0.12056560       3.13211118
Cl       2.30835001       5.01549000       4.28285005      -2.01019390      -0.62521676      -1.74863207
Cl       8.98778998       6.72301995       1.61024004      -0.29520959      -0.73220182       0.36898417
Cl       0.80689502       2.93843995       6.02434003      -0.78190612       0.35548811       0.55765316
Cl       1.08284005       2.28630006       0.13466103       0.44799994      -0.34369817       0.12561563
Cl       8.40787002       9.66480997       1.23348002       2.32233546       4.51612714      -2.23490431
Cl       9.97491005       3.57450002       2.35343994       0.02420175       0.43159211       1.12423431
Cl       5.56472003       1.04717003       6.10986004      -0.19622704       0.54380953       0.12298912
Cl       9.26853996       1.16647996      11.64470001       2.17996995       0.23087916      -1.33755474
Cl       6.49196002       9.30101997       5.41138004      -2.61746448      -1.11423177      -1.04955186
Cl       8.24942999       0.01768425       8.35939997      -1.09430686       0.12711568      -0.77829741
Cl       9.86344999       6.07547000       5.07962998       0.50595046      -4.22553043       5.52924736
Cl       6.62870996       1.40984000       2.69264997      -0.41286399      -0.06947876       0.04918088
Cl       0.56037806       6.22067999       8.47409996      -0.32515635       1.28976161       1.02527362
Cl       1.11277004       8.37533997       1.69101005      -1.16519116      -0.26690786      -1.81086890
Cl      10.04089997      10.89209995       5.48267004       0.47995971       0.22732504      -0.35607050
Cl      10.90339997       3.61541997       9.85531006       0.00461680       0.17432891       0.15989074
K        1.21284999       0.27572500       5.57077994       0.20622287      -0.70004580      -0.47923735
K        9.13215000       9.80350000       9.94818001      -0.97319157      -0.78592583       1.26230530
K        9.21476001       5.97338006       9.86645996      -0.08756953       0.67498424       0.07893548
K        8.86678000       2.64572997       8.41855004      -0.19736424      -0.22144161      -0.26081936
K        3.40364005       7.28405998      11.10029995       0.56108441       0.42787520      -0.22023167
K        1.86613998       1.83078001       8.61006003      -0.07643882      -0.00302325       0.43833308
K        3.15506995      10.41640001       1.28954004       1.11318052       0.53253818      -1.66367169
K        8.48027000       2.44347005       4.61910997       0.03439718      -0.03010584       0.31551241
K        0.45659496      11.25849996       0.39502897      -0.97673067      -0.23034628       0.12656013
Li       7.28574004       6.64158003       6.57701997      -0.21254724      -0.04892611      -0.63296508
Li       2.48254005       7.90852003       3.11005999       1.22621477      -0.33865496       1.29078125
Li       5.90921003       0.79124602       9.53921999       0.46454072      -0.09717276      -0.21469574
Li       7.75357001       0.43906901       0.89682703      -1.94669588      -1.10785485       1.30615292
Li       4.56223997       2.73712002       4.61334995       0.21942159      -0.10996291      -0.02136744
Li       6.23232000       4.35367006       9.96592997      -0.35937470       2.08297543      -2.09540445
Li       1.64325003       9.03553001       8.17233998       0.04289704      -0.96488789      -0.18786649
Li       2.18428002       3.44119005       2.05486003      -0.88347515       0.25882827       0.16049881
Li       1.71135995       5.16772994       7.06720995       0.35618815      -0.43371024      -0.54743785
Li       5.18163996      11.36829995       4.46088004       0.07523787      -0.40662690      -0.48551620
Li       7.09209005       4.86650005       2.38934005       0.37747743       0.41163561       0.07187644
Li       4.20987999       9.10565999       6.49256003       3.20541997       5.30542868       0.53855514
Li       7.88481994      10.47899999       5.94869006       1.82447117       1.52280203       1.40192647
Li      10.66459995       9.61886995       7.22331999      -1.10778219      -0.39372176      -0.61351745
Li       3.84652000       5.73039999       5.14440995       2.56470534       1.30460338       0.90277085
Li       4.41100000       3.60418998       0.25915799       1.17926729      -1.00493909      -0.24356780
Li       9.85079996       7.04240000       3.67754995      -0.06074490       3.76987061      -5.82682915
Li       7.43917999       8.41525995       2.04296001      -2.74852689      -3.57987261       2.08479307
Li       0.15155330       4.59785995       4.65149996      -0.74739977       0.00198759      -0.22982967
Li      10.58470002       2.91554003       0.49133504       0.12127995      -0.50763071      -0.83240007
Li       0.56485600       5.04669003      10.68759995       0.78153755       0.00329487      -0.13924796
60
Lattice="11.69144674 0.0 0.0 0.0 11.69144674 0.0 0.0 0.0 11.69144674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-466.26605803 stress="-0.017704318076890015 0.00186369806626503 0.0020170839831543247 0.00186369806626503 -0.017098040836672282 -0.0008684300232175752 0.0020170839831543247 -0.0008684300232175752 -0.015418517989399437" free_energy=-466.26605803 pbc="T T T" config_type=melt 
Cl       2.34823000      10.08539995       1.05072002      -0.58361206      -0.41860531      -0.31952209
Cl       2.85724999       1.33096003       2.43959001       0.15263400       0.04558100      -0.58654327
Cl       2.45472002       4.73001995       2.99954004       0.65776812       0.05927776       0.23170010
Cl       6.99606001       7.85351995       8.04744996      -0.98255731       0.07216490       0.76789970
Cl       7.41405005      10.68220002       0.50510405       1.39611442      -0.61355645      -0.64039043
Cl       2.41435998       8.50903003       4.08665004      -0.28973171      -0.62813967      -0.47834416
Cl      11.16750005       7.01290996       0.86835906       0.84075213       0.91259851      -0.27421904
Cl       9.02950997       2.02364001       5.42056999      -0.70367103       1.16038612      -0.81706165
Cl       4.10770002       2.43546000       5.65221999       0.26884270      -0.13107243       0.75878530
Cl      10.17040004       3.59243002       1.88973004       0.17703846       0.11157298      -0.73459217
Cl      10.94939997       5.58639995       4.72877995       0.34079308       0.05955683       0.03955598
Cl       0.25899898       2.05212003       4.85811004       1.32347352      -0.95108831       0.39835192
Cl       9.08066005       0.62408498       2.60057000       0.62224545      -0.84106071       3.44630311
Cl       6.10571998       2.10003006       0.74040705       0.17143288       0.71042366       0.23170433
Cl       5.32269995       8.96319000       2.40226003      -1.83601023      -0.12807838      -1.45534225
Cl       3.10583996       1.31322995       9.99523002      -0.81830455      -0.62318509       0.69146427
Cl      11.51090005       0.95049206      11.13739995      -4.08204735      -0.91767922      -1.05830741
Cl       7.75233995      10.29439999       5.79907005       2.05264586       0.06225576      -2.00824936
Cl      11.01619998      11.10699997       7.34697996       0.57630275      -0.67791213       0.83672659
Cl       7.63010997       5.71164995       0.86039800       0.01610599       1.18143148       0.71497866
Cl       3.87156998       6.18515004      11.27330004      -1.75672575      -0.87407731       2.10709279
Cl       4.76324003      10.48549996       5.52285004       0.14825320      -0.13569636       1.71930585
Cl       2.87367004       6.70842003       8.00643999       0.30819444      -0.18122823      -0.15077940
Cl       5.08817000       5.92849998       5.47381997       0.08405513      -0.38973284      -1.47795273
Cl       6.58619998       0.52450800       8.69838002      -0.70954452       1.20264459       1.52947857
Cl       0.65316103       3.70870999      10.59790001       1.80542999       2.26061861      -0.59928603
Cl       5.15059005       3.63315004       9.30088996       0.25045205       0.84503747      -0.71801418
Cl       8.98658003       4.22533994       9.19431003       0.17728378      -0.35285046       0.49792617
Cl      10.82410004       7.59535001       8.97838000       0.66117230       0.04837487      -1.28895502
Cl       7.98005999       7.50885002       4.39517995       0.45249976      -0.90238721      -0.81638418
K       10.40889994       9.85764005       2.77176002       0.29024753      -0.73910235      -0.26208318
K        4.81590999      11.19030001       0.11008503      -0.30478699      -0.12159607      -0.29871218
K        5.75677005       7.61050996      10.64970002       2.08575845       1.59943810      -0.18474776
K        1.14236997       8.58862996       6.54113004      -0.60668448       0.07277859       0.94829985
K        9.50677002       9.64462001       9.86230002      -0.63528772       1.12086624       0.62954140
K        0.74322796       1.92342000       7.90507000      -0.04985817       0.05138474       0.22328154
K        7.23047001       2.78631003       7.07454002      -0.97003022       0.69435616       1.19463576
K        6.16206001       0.83858305       3.63826996       0.15869353       0.00328342      -0.03404764
K        6.76535001       4.49075999       3.38701002      -0.08231160       0.19517791      -0.08388638
Li       0.93093297       3.63895005       1.99549999      -0.60629379      -0.34932646      -0.43800450
Li       7.15355000       4.39171999      11.11330002      -0.44884286      -1.39794699      -1.32134850
Li       2.79778004       5.19025995       9.81052995      -0.36175316      -0.36581936      -0.65929530
Li       4.87501996       7.93488003       6.10774997      -0.15266979       0.82401343       0.24163459
Li       6.76482003       9.13905006       3.68713998       1.36039734       0.33842363       1.41210031
Li       8.31476004       7.84727006       6.49156999       0.89442382       0.22703503      -0.59439405
Li      10.91340002       5.65738995       9.58529995      -0.10812084      -1.11260677       0.68568497
Li       1.34979997       0.27205330       0.09379802       4.15199404      -1.88713032       1.75740815
Li       4.28809004       1.35002001       8.21664004       0.94224461       0.37362258      -0.51419283
Li       8.82282998       1.12066995       0.83676199      -0.93683000       0.51091647      -2.90736746
Li       3.76051000       2.11188998       0.44006302       0.23834992       0.55786011       0.16094870
Li       5.37618996       5.20384997       7.32731997      -0.53110278      -0.29419644       1.78743670
Li      10.48149997       3.23819006       4.01658004      -0.71831555       0.64521734       0.27258350
Li       1.39714998       6.24899001       4.07514004      -0.44190382       0.46970895       0.06123406
Li       2.03013999       3.20797994       5.12756000       0.78430181       0.37227122      -0.76632887
Li       3.78859005      10.50969997       3.78426994      -1.29030578      -0.48115070      -1.71833239
Li       9.71059006       5.96912998       1.82028998      -0.49888153      -0.66002549       0.52985665
Li       9.94206001       0.26139702       5.82326001      -0.21341868      -0.62407569      -0.62494188
Li       3.01481000       7.78903999       1.59631997       0.00053944       0.16966628      -0.01783352
Li       6.99534005      10.75610002       7.52036996      -0.62061689      -1.43815425       0.22587886
Li      10.65599996       2.66904003      10.68659998      -2.05022131       1.27953625      -0.25233858
60
Lattice="11.69144674 0.0 0.0 0.0 11.69144674 0.0 0.0 0.0 11.69144674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-465.11584485 stress="-0.006204662201996351 -0.0012216830869886577 0.003938018398277205 -0.0012216830869886577 -0.02760997213772351 0.008072937048314719 0.003938018398277205 0.008072937048314719 -0.012129715930005414" free_energy=-465.11584485 pbc="T T T" config_type=melt 
Cl       0.72051697       7.81686996       6.90162995       0.70287149      -0.74186481      -0.46461959
Cl       4.11420000      11.06790003       0.22373805       0.59424787      -0.16597207      -0.03751181
Cl       2.85717996       7.38486001      10.56050001      -0.57849098       3.28890203      -2.10725893
Cl       7.14100005       1.68978000       0.94419797       0.15340839      -0.04424389      -0.13650532
Cl       9.16307996       6.59340004       7.32808003       0.30478582       1.29322931      -1.47243658
Cl       9.54205996       5.62608002       2.42425995       0.04510294       0.66214635      -0.42022091
Cl       5.29432002       2.09985995       5.58708998       0.40532240      -3.50442338       0.71403504
Cl       6.59014000       7.80090003       9.44062005      -0.15689096       1.28732443       0.07323959
Cl       2.38771003       4.38415995       8.02818000      -0.10738311       1.63337329      -0.53835610
Cl       9.08947996       3.46318003       8.22639000       0.23977741      -0.23888361       0.36504475
Cl       8.24963997       8.79132001       0.85782296      -0.04907115       0.26953912       0.42289162
Cl       9.31890005       9.65648999       5.16165998      -0.61451527       0.45930582       0.46549327
Cl      10.77069995       5.95035995      10.26830001       0.20492554      -1.23486199       0.05367237
Cl       9.03374005       1.59567998       4.30030994      -0.54901934       0.92569292      -0.39340583
Cl       3.48764999       4.47012996      11.43950004      -0.66711560       2.80862082      -3.12508463
Cl       7.88424005       0.20330105       8.49857998      -0.74531677      -0.35752240      -1.84969004
Cl      10.57020005       9.02302999       9.93203997      -0.23974467       1.00429412      -0.56454132
Cl       3.45802994      11.23720001       4.00875998       0.04269224       0.70812163       0.29687623
Cl       0.00735322      11.06369999       7.10830994       0.43340033       2.00652544      -0.42205893
Cl       3.73670996       0.05625328       8.17513002       0.89037439      -0.85297355      -0.49142584
Cl      11.67089996      10.26749996       2.25508004      -0.30094165       0.20531085       0.15679039
Cl       6.32591997       4.93092004      10.20459998       0.22750600      -0.86329002      -0.22128062
Cl       6.53614995       5.12716004       3.97287005       0.32412918      -0.42740324       0.08424340
Cl       1.20830003       6.10046000       2.93931997       1.39803569       3.36173155      -1.78161863
Cl       6.01963002       8.78968999       5.95791999       0.24872168       2.76504532       0.78056971
Cl       5.00219999       7.33236997       1.99634002      -0.25858835       0.09033174      -0.18747915
Cl       0.11325329       0.95412003      11.34369997      -0.02888301       0.96807510      -2.22267820
Cl      11.39949997       4.48123999       5.34556994      -0.98364406      -0.71784926       1.46300591
Cl       3.73182001       6.26112001       5.65852998       3.71249749       0.10219050      -2.74047175
Cl       2.44323002       3.55028002       3.43873999       0.11303961      -2.04931338       0.78020332
K        8.73743998       4.08262000      11.33639995       0.46219519      -0.45664060       0.48523557
K        1.57459995      10.27299997      10.03409999       0.21599316      -0.06104665       0.29416063
K        1.96382003       1.98560996       8.61481003      -1.49122533      -1.25709355       0.97739858
K        3.90483004       2.74731005       1.13677001       1.70132252      -5.32989244       3.21197261
K        5.73208005       1.96718003       9.21761997      -0.07626456       0.56506081       0.60857562
K        2.10184001       8.74308998       3.63640003       0.18019284       0.10179690       0.08919614
K        9.14097003      11.60790001      10.80480004       0.43825593      -0.34774950       1.09123833
K        3.49649995       8.64673002       7.53682999       0.45779022       0.37191165       0.36647744
K        6.64894002      10.93769999       2.92525995      -0.29286882       0.19009463       0.13459039
Li      10.18229995       0.00955331       4.98276003       1.06974678      -1.15764683       0.50118272
Li       2.22003995       6.13397003       6.66606998      -3.53451989      -0.67298002       2.01754735
Li       6.22621005       0.17331705       6.71704995      -0.37872891      -0.38071753       0.17735080
Li       8.13514995       8.88290998       7.81665998      -0.51253741      -0.53892499       0.15419437
Li       6.19443994       9.51927999       0.10421101      -0.77789629      -0.20593415      -0.67125545
Li       8.19203001       5.51825998       8.76559999      -0.73231423       0.00523316       0.80530422
Li       9.78478000       7.93651999       4.11359999       0.50484963      -0.95977732      -0.47000428
Li       3.62392000       5.31124000       3.07581995       0.15548827       1.21235286       0.11799787
Li       0.23361896       4.57128003       3.45173001      -0.67489169      -1.82106719      -0.80009352
Li       2.66119004       1.56368996       5.03462995       0.64482038      -0.31454184      -0.46813534
Li       8.99798995       2.46345996       6.35043003       0.06955990      -0.08177231       0.10300416
Li       7.20398000       7.03443999       1.77901005       0.05689244      -0.45224013       0.07793011
Li      10.95790000       9.21305002       7.56151005      -0.59582871      -0.81497945       0.48610004
Li       4.67969996       6.50144003      10.75360004       1.51389185      -0.58882386      -0.12008010
Li       5.17500997       3.93339996       5.39572999      -0.39297218       3.66403740      -0.32227039
Li       0.45265798       0.67030104       1.52277996       0.44646385      -0.95310878       2.08005558
Li       8.88638001       3.97530000       3.60863004      -0.54429003      -0.32079422       0.45961847
Li       6.19052997       7.03060005       5.21494001      -0.16130416      -2.12323247      -0.71440697
Li       2.31482999       6.05327999       0.09535322      -1.94576663      -0.84563012       1.87704521
Li      10.49249998       7.58275996      11.60260005      -0.26241193       0.34902516       0.24575475
Li      11.29369998       4.79531995       7.51155005      -0.30487576       0.58392263       0.72489369
60
Lattice="11.69144674 0.0 0.0 0.0 11.69144674 0.0 0.0 0.0 11.69144674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-464.067049 stress="-0.02337988814947012 -8.394965839211927e-05 -0.0021007813784721034 -8.394965839211927e-05 -0.0112744953305962 -0.000991852864016027 -0.0021007813784721034 -0.000991852864016027 -0.012117732794219538" free_energy=-464.067049 pbc="T T T" config_type=melt 
Cl       5.91552996       4.82569994       1.50769004       0.34882578      -0.56609899      -0.23732835
Cl       9.29647995       6.79441997       0.43660001       1.24814857      -0.23433368       1.04652821
Cl       5.43048995       1.63745995       3.82577002      -0.41213063       0.20140960      -0.25082145
Cl       7.71562998       0.27901696       8.60878005      -6.50937643      -0.67374363      -4.06196309
Cl       6.07250002       4.15618995       7.13813997      -0.07145161      -0.42030945      -0.35011791
Cl       3.83110997       5.91503997       8.75080996      -5.32502169       0.03511855      -2.40260915
Cl       1.46030005       8.54656004       7.00479995      -0.39576880      -0.76923800       0.48193709
Cl       5.70390004       2.68400999      10.22859995      -0.50600032      -0.25650785      -0.04721444
Cl       8.75786996       1.89927003       4.77646995       0.61956966      -0.01871194      -0.70624174
Cl       8.48297003      10.34120004      11.32140006      -0.35746129       0.28463176       0.63350394
Cl       0.11598301       0.08565575       8.25027996      -1.19824032       0.32531193       0.42085688
Cl       6.41845005       9.78119003       2.24787004      -0.34957122       0.19198894      -0.11484161
Cl       7.93278001       5.72373996       9.54409006      -1.13342762      -0.66644788       0.41237596
Cl       9.36417997       2.01663999      10.91560000       0.09644781       0.29077345       2.00269871
Cl       0.93232904       4.99607998       6.34585996      -0.01815075       0.87144477      -0.31731165
Cl       0.46112095       3.94259996       3.36812997       0.13672699      -0.46432401      -1.36751796
Cl       2.61187002      10.50190002       1.67466003       1.01227804       2.36199168      -0.61733063
Cl       8.63283006       5.04637004       5.34856997       0.25542674       0.66789703      -0.53626634
Cl       9.92696997       3.03538005       8.30530002       0.20493724       1.11889361      -0.73537306
Cl       1.44966001       7.56634002      10.70580002      -0.30774008       0.10447485       0.29726266
Cl       4.04249998       5.19967004       4.39759997      -0.28845041       0.13578871      -0.32728661
Cl       4.91318002       7.20090994      10.99869999       2.29858448       2.34808945       0.39596766
Cl       0.11270403       8.90874995       2.75888003      -3.35731486      -0.21474625      -0.03402308
Cl      11.37030000       0.65166300       2.32701002      -0.26470313      -0.23929513      -0.18653972
Cl      10.32359997       6.77378994       8.10825998       0.88285994       1.62101076       0.66395858
Cl       8.61639995      10.46320005       5.01986003       0.00512565      -0.74661308      -0.07609273
Cl       3.07551001      11.04860002       8.81231995      -0.53671996      -0.21073572       1.44557866
Cl       0.70766796       4.16237998      11.09049995       0.13457670      -0.01479657       0.01564384
Cl       4.39376996       8.55689995       5.88283997       0.71805751       0.35837752      -0.13512357
Cl       1.93117002       0.76464599       5.33228004       0.53531573      -2.02454394       1.25558660
K        4.84801997      10.97269997      11.35169996       0.44329909      -0.09681927      -0.16349919
K        1.51270006       3.29814999       8.23279002       0.39857880      -1.08469422       0.64604803
K        2.33737005       8.04742996       2.29665996       2.62558467      -2.37197746      -0.03968755
K        7.54233000       6.52690003       3.15812995       0.00504125       0.49394543       0.20542930
K        1.00722995       1.18744997      11.28939998      -0.12636558      -0.09706178      -0.21640614
K        5.22224003      11.34080003       7.40005994       0.88721402       0.38509045      -1.42719783
K        7.05385002       8.33333997       6.98990996       0.78028791      -0.14045501      -0.16631803
K        3.32783995       5.55257998       0.44546598      -1.27890234      -1.16056883       0.14347792
K       10.63329996       9.11786995      10.34210004       0.96975116      -1.13847669      -1.25325465
Li       5.54442006       5.69694994       9.25772000       4.01823808      -0.88262529       1.03913190
Li       8.03559997      11.22049995       2.92376999       0.01934477      -0.00265188       0.83347931
Li      10.50770003       2.74656005       2.52364005      -0.60962270      -0.21019268       0.13795107
Li       9.19994998       0.39456598       9.39211996       6.46225874       0.66656246       3.55392755
Li       5.02457005      11.46860005       2.86278998      -0.54965742      -0.90716718       0.04664649
Li       6.77999004       2.75238999       5.19637001       0.20893890       0.84442936       0.58493900
Li       0.18948000       5.71121000       4.36894996      -0.38589094       0.88748751       1.08115138
Li       7.00332005       4.05877997      11.18399995       0.30376371       0.09893609       0.54116345
Li       7.39804001       7.27579004      11.49100004      -1.26560825       0.27122807      -0.61793819
Li       1.39521996       2.16528002       4.14003997      -0.53600978       1.30389177      -1.10905926
Li       9.92313003       1.63978994       6.70925000      -0.05855299      -0.65934240      -0.44780764
Li       2.59035004       8.83437002       9.30747002       0.07012689      -0.14388372      -0.73058311
Li       0.32608497      10.59559995       3.90684003       0.05890369       1.08254467       0.50343964
Li       0.80422796       6.41725004       8.54014003       0.28889216       0.41783728      -0.45616230
Li       7.58179004       3.31159001       8.57542002      -0.21427693      -0.45347390       0.18458713
Li      10.23769998       4.97604002      10.88540005      -0.08897682      -0.05670771      -0.30777196
Li       9.31802003       5.15619996       7.42130997      -0.33332076      -1.00460545      -0.38255053
Li       4.54272005       3.61477998       2.94186999       0.49030996       0.11868799       0.31537029
Li      10.24689998      10.60359994       0.99116601       0.08591920       0.17260643       0.81402442
Li       1.48726005      10.64080002       6.82109003       0.17201973       0.61459653       0.40371375
Li       3.96743996       6.42857999       6.49682998      -0.30663994      -0.34389705      -0.28413994
60
Lattice="11.69144674 0.0 0.0 0.0 11.69144674 0.0 0.0 0.0 11.69144674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-464.76408894 stress="-0.0207554602209809 0.006522485994572815 0.005351972403465993 0.006522485994572815 -0.022489594694003415 -0.0025274425412461997 0.005351972403465993 -0.0025274425412461997 -0.0109010581750214" free_energy=-464.76408894 pbc="T T T" config_type=melt 
Cl       6.25704998       9.72590994       7.10000995       0.41831700       0.55303492      -0.27464824
Cl       8.62551998       8.74269996      10.46750005       0.93727660       0.09528405       0.27941537
Cl       9.71568004       0.55996605       7.18779997      -1.14286831       0.53492628      -0.44982540
Cl       4.16220005       2.13963004       8.75149006       0.08843279       0.57312485      -0.08755958
Cl       4.62764999       6.66439004       2.16135006       0.13288955      -0.41977997       0.28902039
Cl       4.00817003       9.03603006      10.14920006       2.27030755      -1.26706423      -0.80636866
Cl       1.35972999       6.48422005       3.93938002      -0.57279124      -0.88585782       0.95577998
Cl       5.52317997       4.98490003      10.78539995       2.17027906      -4.64663114       2.71400008
Cl      10.42719998       9.13988997       3.82534001       0.98041760      -0.75491549      -0.99899984
Cl       6.63876005       9.26190004       3.36632001      -0.06346725      -0.01128858       0.03008384
Cl       0.27385098       1.00855996      11.35580004       0.21716215       0.09930860      -0.30290367
Cl       3.37644995       0.40315803       4.63611998       1.94352929       0.32124436       0.70436699
Cl       6.41977995       3.61699001       5.88967000       0.79308969      -0.37716385       0.28549724
Cl      10.48290002       4.47793003       9.12385995       0.68436728      -0.06379467       0.69732416
Cl       7.46026002       0.82350599       4.09322999       0.39288674       0.28060566      -3.11684501
Cl       8.67895001       3.33742998       0.39493602      -3.91369214       1.36464406       2.18981809
Cl       4.99630001       0.67481195       0.73132104       0.79607515       0.52878109      -0.31468389
Cl       9.16628996       5.32134000       3.74477004      -2.86355858       0.73294765       1.05037161
Cl       9.28623999      11.49159771       1.19058001      -0.69204444       0.35792601       0.37932710
Cl       0.38442704       7.13242005       0.51487904      -1.07569975       3.16431702       2.77846903
Cl       0.27887105       3.84492003       1.07952997      -0.26844240       0.91172966       0.28731835
Cl       7.53461996       6.29414004       8.92175996      -0.25443667       1.40418175      -0.98474616
Cl       2.53389006      10.17040004       2.07176996      -1.02615400      -0.67349908       0.90476794
Cl       0.79125104       2.43970002       4.96902001      -1.37507557      -0.23746005      -0.40928106
Cl      10.71149996       7.85281005       7.31013997      -0.77229167      -0.24964905       1.57104981
Cl       0.54241801      10.47130000       8.11206005       6.57206402       0.63244652       0.73884193
Cl       3.16428994       8.85311001       6.02652996       0.13329963       0.43465444      -0.45208474
Cl       2.33367006       5.31846005       9.85070000       1.42528398      -0.44300510      -1.31081316
Cl       3.68910005       4.85967996       5.96796996      -0.88757432       0.79435325      -0.69873565
Cl       3.48967004       3.15076002       2.95016998       0.38780751      -2.72622746      -0.82991439
K        7.93043003       3.68332003       8.66402003      -0.81895250      -1.44734822      -0.10207909
K        0.43558402       2.40641003       8.36202002       0.60611327      -0.74896314      -0.34138088
K        6.49509999       4.22916994       2.49223004      -0.58483625      -0.15489947       0.49642251
K        7.04114995       6.58075001       5.86591006       0.10680921       0.25698408      -0.18150379
K        2.05933996      10.33360001      11.10949995      -1.74927578       0.78982533      -0.46374382
K        3.55642001      11.31669998       7.78233003      -0.25575419      -0.84368855      -0.15455982
K        6.66441003       9.92262005       0.29027197      -0.64115438       0.31067451       0.48474499
K        3.27141996       2.98396002      11.60790001      -0.26048889       0.29928011      -0.33340288
K        8.01028004       6.50099003       1.38528001       0.03617246       0.61276936      -0.76186376
Li       4.76181004       3.95055996       7.43529995       0.59432421      -0.91522512       1.07047376
Li       2.76874994       3.04179994       5.16807999       0.64722457      -0.53158849      -0.29626261
Li       0.74886896       5.99644003      10.79369995      -0.49637212      -1.83959525      -1.57489798
Li      10.09190004       2.61758994      11.17573176       3.69543442      -1.52728600      -1.43057183
Li       5.21270998       9.85785996       5.11107004      -0.36056286      -0.24641664      -0.27720738
Li      10.91650000       4.89232003       3.21739998       3.36604913      -0.69245991      -1.09230292
Li       2.90886001       6.78277997       6.31453004      -0.75849430       0.25201674       0.00856468
Li      11.13130006       7.90848998       5.41050003       0.88416016      -0.50174586      -1.54250455
Li      10.00109994       6.53377998       8.92915001      -0.68891880       0.68157131       0.01835924
Li       4.32403002      11.21620872       2.36914997       0.48310522       0.20662511       1.08893786
Li       7.24002005       0.67007200       5.95851999       0.05670742       0.06975844       3.01786218
Li       6.96360000       8.69947995       8.86631000       0.18731680      -0.49629432       0.32608933
Li       7.12946001       1.69184997       1.62943997       0.58349974      -1.05987285      -0.24046158
Li      10.19729996       9.60106002       0.90665205       0.25340695      -0.47609665      -0.27014302
Li       3.37246995       5.00024997       3.24604005      -0.41713306       3.64331451       0.37429089
Li       4.82028002       6.43451994      10.05950000      -2.58787426       4.23298373      -1.79498651
Li       9.30923005      10.74291780       4.23128995      -1.43191544       1.57467154       0.01956933
Li       1.74437005       8.02737001       2.60436002       0.30012817       0.28092125      -0.97082204
Li       1.70887996      11.14060002       4.07833006      -0.99146816      -0.79348989      -0.13628285
Li      10.50179994      10.42779999       8.02367002      -5.41746196      -0.58335380      -0.17633693
Li       0.72567804       2.23779996       2.34873004       0.22482198      -0.38024554       0.41795701
60
Lattice="11.69144674 0.0 0.0 0.0 11.69144674 0.0 0.0 0.0 11.69144674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-466.638442 stress="-0.014224860564136877 -0.002703530886524343 -0.0025886596684509557 -0.002703530886524343 -0.01384754022869337 0.004240843463692115 -0.0025886596684509557 0.004240843463692115 -0.015811702537108948" free_energy=-466.638442 pbc="T T T" config_type=melt 
Cl       2.41696998       1.98652002       1.64701000      -1.46866079      -0.23173730      -0.41344277
Cl       9.25676995       1.79591004       2.69347994       0.85582467      -0.75067253       0.64119861
Cl      11.60570003      11.10960003      10.33230004      -0.47215593      -0.12256599       0.52097208
Cl      11.55809994       7.09716005      11.23590004      -0.79318927       0.12495603       0.03829746
Cl       2.63648999       2.29517994       9.45762000      -0.45128264      -0.58109721       0.52145281
Cl       0.80048998       2.84348004       5.94419002      -3.04366020       0.74609272      -0.56224445
Cl       4.05218003      10.79840002      10.71669996       0.27356178      -0.33133381       0.11047911
Cl       4.35786004       6.90689999      11.20109998      -0.85056753       2.33208586      -5.19028511
Cl      10.99090004       4.43527004       2.78809005      -2.57051209       0.38991555      -0.52249689
Cl       6.10924004       8.16456002       2.37359997       0.34049445      -0.47212444      -1.07412864
Cl       5.72202003       4.30645006       7.75952996      -0.18418970       1.02672931       1.15787150
Cl       2.91571996       8.40293997       3.68563003      -0.47628781       0.84768265       0.39540145
Cl       4.26969004      11.44380004       2.55442000       0.69033141      -0.83074343       0.65465398
Cl       1.56550003      10.85420003       6.66330998       0.94769372       2.52517943      -1.88708236
Cl       1.11217997       8.74505006       8.21959996       1.81437679      -1.96584088       1.64031422
Cl       5.94759001       2.63267004       3.75551997      -0.58595946       1.21358331      -0.24431615
Cl       2.88396997       5.06729995       1.55240000       0.06545056       0.19751058       0.61071170
Cl       3.13052002       4.62926002       5.06141003      -0.66591867      -0.69188399      -0.03566670
Cl       7.00392006       7.79810004       5.46825005       0.07188747       0.02520336       0.02707311
Cl      11.35899998       4.69248000       8.65182994       0.83981392      -0.06680585       0.59062059
Cl       4.56069997       1.30888003       6.49513004       0.49797017      -0.39684182       0.43790078
Cl       8.90371000       3.13403996      10.72360002       0.34317273      -0.41423636      -0.28530256
Cl      10.42400003       8.00127997       6.70853998      -0.55123094      -1.65855020      -0.68428165
Cl       8.90444002       4.22136006       6.11240995      -0.29688078      -0.27381718      -0.52206351
Cl       7.75250001      10.65790005       0.28964203      -0.74271996      -0.06927047      -0.70394645
Cl       8.31347000       8.31108004       9.27465003      -0.19214785      -0.21643401       0.58508504
Cl       6.62181996       4.45780998       0.83196697      -0.47546226       0.14271889       1.16617512
Cl       9.35644000      11.09820005       6.33819002      -0.11227991       0.28113715       0.92086628
Cl      10.30480000      10.24629998       2.41533002      -0.36716913      -1.28431140      -0.55193379
Cl       4.98913000       9.60992003       7.79179005      -0.49854667       1.28493785      -3.16330887
K        6.98299997       0.17304604       8.97186997       0.01344763      -0.13323627       0.08486216
K        4.27608000       6.96908001       5.45699995       0.79575258       0.04929846       1.08535410
K       10.87850000       1.69216996       8.65696003       0.10675303      -0.00246286      -0.36170526
K        0.43323404       0.34563903       2.90536006       0.64594329       0.73751204       0.71478385
K        1.57729004       8.64025997       1.26466999      -0.09798995       0.10688256      -0.59796881
K        8.37026997       6.08185996       3.31585996      -0.26622346       0.16236904       0.21432490
K        7.54047001       0.69802099       4.62160996       0.05258597      -1.09268689       0.06340750
K        0.66765702       4.20135997      11.66589999      -0.29931006      -0.09259205      -0.42858245
K        6.63388998       5.49548001      10.01460006       0.78707350       0.54441999       0.12929635
Li       1.10042001       4.44579001       3.35864996       3.69342391       0.05894831       0.87375729
Li       0.57869703       8.80694002       6.05823003       0.56646395       0.61713994      -0.17996439
Li       0.33837502       5.23769004       6.66563003       0.42521971      -0.21374174      -0.28803081
Li       5.22404004       8.82909005       9.47297005       0.10190744      -1.36817826       3.19986740
Li       2.63017999      10.53690001       8.76706002      -0.19564991      -0.25307637      -0.05094858
Li       5.70099004      10.25480001       1.13761004      -0.12967814      -0.13774522      -0.06915551
Li       9.46982003       7.97384002      11.31440004       0.17530781       0.27006597       0.06242627
Li       2.46715002       1.88632000       6.20819002       1.35836886      -0.68245179       0.41330409
Li       9.71833996      11.43659997       0.41742405       0.76668102       0.02675500       0.28138927
Li       3.90248999       3.84051001       8.90945997       0.06632082       0.43353067      -0.25175601
Li       4.25800000       2.89444995       1.86014998       1.22881551       1.07546698       0.87575829
Li       4.79253996       6.30024999       1.13988999       1.20045250      -1.56760778       4.34027726
Li       3.66933998      11.19860000       5.67088994      -0.35057138      -0.62384480       0.01778677
Li       9.54933005       5.24618002       7.86019004      -0.65126846       0.63852251       0.14779367
Li       8.46335002       3.16946996       1.39908001      -0.55929627       0.58383466      -1.11327087
Li       5.77209999       3.15868997       6.17766997      -0.14087164      -0.77047798      -2.41818891
Li      10.83409997       9.06557002       8.82256002      -0.48402459       0.22136077       0.30443303
Li       8.36106997       8.47899996       7.02499997      -0.29884587       0.60940210      -0.34041252
Li       3.25669002       0.97162399      11.59780001      -0.28205805      -0.03991052      -0.45574969
Li       5.10640000       9.44029000       3.69943996      -0.53759767       0.15435219       0.02816790
Li      10.16599997       2.98430000       4.76399003       0.36711186      -0.09131445      -0.45983025
60
Lattice="11.69144674 0.0 0.0 0.0 11.69144674 0.0 0.0 0.0 11.69144674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-462.68961903 stress="-0.021773237461536178 -0.001073856426104205 -0.0045596274999645785 -0.001073856426104205 -0.01533592821229114 -0.004329817624311698 -0.0045596274999645785 -0.004329817624311698 -0.031607675241643374" free_energy=-462.68961903 pbc="T T T" config_type=melt 
Cl       6.36605004      10.13439997       6.00583002      -0.15289158      -0.33779972      -1.97130386
Cl       9.00286002       0.57584000       6.13801994      -2.86127265       0.11942162      -5.41263935
Cl      11.43210005       4.64956000       3.62915999       0.12321492      -0.26524568       0.83239367
Cl       4.02958000       3.66486005       1.12618995       0.50278821      -0.36535869      -0.78166149
Cl       7.28606997       3.96003003       2.10060995       1.96126659      -2.36034659       2.50805151
Cl       6.03574001      10.00899997       0.13608295       1.02977828       0.60087088       2.27274190
Cl       9.34968994       9.17109000      11.16559996       0.94217105       1.36782775       3.93742410
Cl       0.73463100      10.74320003       3.80260003       2.03174382       0.73154075      -0.74868070
Cl       9.52241996       4.82578997       7.44809004       1.72090541       0.85379826      -0.03680215
Cl       5.26334996       6.39958006       7.21736998      -0.86061622      -3.18536876       1.33894705
Cl       4.02452005       3.37542005       8.57653995      -1.77722371       0.13428657       0.45016710
Cl       1.42639006       5.63451996      10.90420002       0.15997240       0.26750502       0.85433708
Cl       9.90084006       6.43344000       9.89326996       2.52735007       1.22509579       0.96213521
Cl       8.98821999       7.57845003       3.60794995       0.26679412       0.58791720      -0.38541105
Cl       0.07480924       1.94944001       1.27837003       0.78273867       0.49925109       0.08425944
Cl       8.33493994       0.52108802       9.48737006      -0.80707046       0.49863858      -1.05048858
Cl       4.41049002      10.87089997       8.40257999      -0.00801761      -0.35778843       0.76378978
Cl       3.53291004       8.00482996      10.72439995      -0.12451078       0.74634219      -1.66081888
Cl       1.36652997       6.00110995       7.68385999       3.00595911       1.51537985      -3.66022210
Cl       6.57534003       5.40494998      10.33640000      -0.28304077       0.09059672       0.18402555
Cl       7.58575999       8.77575998       9.06741002      -0.06579778      -0.17957602      -2.94543344
Cl       4.97086995       1.24683995       3.87761995      -0.49890097      -0.16485069      -0.60555006
Cl       4.65646005       8.55259002       4.33287998      -2.14992967      -0.76610078       0.67104601
Cl       3.24259002       0.61882699      11.39859997      -0.63911902       0.70438332       0.64601255
Cl       3.39059999       4.06050995       5.05283003      -1.01608137      -0.01213483      -0.56024630
Cl       0.26177395       2.90343003       9.44624995      -0.21939830      -0.17072107      -0.57807388
Cl       6.65215003       2.95925003       5.98112996      -0.39370984       0.13718906       0.44185105
Cl       5.88878998       7.22196004       1.97172999       0.78632071      -1.16050723      -0.84961348
Cl       8.20812001      11.46209996       2.55543997      -0.06435227       0.15901849       0.64238102
Cl      11.26380004      10.67450003       7.56339998       0.32738968      -0.51371786       0.63060136
K       10.12870004      10.37900000       4.68786994      -1.78798110      -1.43759539       0.28583971
K        1.16217002      10.22429995      10.38889997       0.17005510       0.11437393      -0.18616459
K        2.42183000       5.29717004       2.41614000      -0.63935308       0.53842487       0.52936598
K        7.20991002       6.41887001       5.47300005       0.56845455       0.14924873      -0.70306546
K        3.09355996       0.62398900       6.41265998      -0.16731956       0.01406188      -0.34862444
K        5.63973002       2.60038995      10.40740005       1.18259245      -1.12768247       1.14449299
K        9.94301005       5.75884996       0.92331704       0.16380222      -0.07196676       0.57432737
K        0.52363500       7.48181005       4.82400994       0.06825765       0.34179440       0.23982354
K        9.70196995       0.58222002       0.10709798      -0.07147171      -0.30758965       0.18989650
Li       0.05465330       5.36431998       8.74965006      -3.11110192      -1.91066276       3.23306228
Li       4.71938997      11.00560005      10.73800002      -0.67018877       0.17358576      -1.47135428
Li       2.08301000       3.57716999      10.75370000      -0.20476983      -0.83303011      -0.09603716
Li       4.26072002       7.11451004       0.62930896       0.32550084      -0.43651487       0.85715105
Li       4.64176999       3.97344001       6.76672995       0.67548526       0.82652557      -0.74964082
Li       6.15761995       3.23823004       3.89642003      -0.84693049      -0.00686047      -0.74636360
Li       8.48817997       5.39383995       9.18736005      -2.22213686      -0.94121845      -0.42274927
Li       9.91027997       8.64248006       9.37110996       0.00065375      -0.21999093      -1.84794477
Li       7.43253001      10.83490002       7.43463003       1.27835351       0.68156689       2.57496211
Li       6.99108004       0.77163396       4.67135005       0.24073499      -0.84396002       0.13338001
Li       6.17099006       8.55462001      10.46059999      -0.86939602      -1.25077117      -0.20993401
Li       3.43286001       1.55193001       1.99664002       0.15699610      -0.22034424      -0.27409772
Li       8.51085003       3.78328997       6.27000995      -0.56000030      -1.73229120      -1.58454200
Li       6.62720001       5.13150996       0.84636897      -1.69402868       2.47289391      -1.92699302
Li       5.10439001       8.26931001       7.06964995      -0.26447287       3.68618013      -0.46171239
Li       7.86930995       9.53439002       1.50613005       0.50009984      -0.15492331      -0.98937969
Li      11.32140006       1.71706000       3.32345005       0.11440951      -0.23392606       0.11953403
Li       6.45317002       8.77446001       3.40158995       0.53383538       0.48522702       0.38105996
Li       9.61852003       1.06675005       7.68040996       2.59821775       1.17675528       5.97038930
Li       0.78216200       4.19087005       5.93758996       0.49595587       0.46153046       0.09054036
Li       3.70578000       5.77382997       9.36107998      -0.21071359       0.20761226      -0.27844104
60
Lattice="11.69144674 0.0 0.0 0.0 11.69144674 0.0 0.0 0.0 11.69144674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-465.82007341 stress="-0.012522128184583233 -0.003924993404822001 -0.0017781990156475016 -0.003924993404822001 -0.01622611366468393 0.0014822695383073213 -0.0017781990156475016 0.0014822695383073213 -0.017005776832766027" free_energy=-465.82007341 pbc="T T T" config_type=melt 
Cl      10.79849999       9.02051001       3.39482002       0.24664248      -0.59577084       0.30060724
Cl       5.85459005       6.38340997       5.67336000      -0.53862301      -0.07636944      -0.88377285
Cl      11.06950000       2.86314002       7.63969006       2.79286705      -0.00519704       1.73295790
Cl       8.71774994       9.32020002       5.94618996       0.10186655      -0.12331468       2.78207301
Cl       4.38234999       9.74991997       9.19882994      -0.60627850      -0.09531405       0.47001087
Cl      10.25390000       8.85866005       0.16855325      -1.03514956       1.24006114      -0.35500947
Cl       2.67465999       8.48937998       1.69879995      -0.96644776      -0.42675210       0.30898047
Cl       5.75341998       4.84315995       8.32330999       0.46634466       0.24558607       0.06282871
Cl      10.34229997       4.96851003       2.76654996      -0.05873028       0.08674815      -0.62521530
Cl      11.62146420      10.97200000       6.78791999      -0.32785358      -0.24408702       1.11404977
Cl       7.81374998      10.45479998       9.27247004       0.33300823      -0.25984379       0.30271790
Cl       9.29012997       6.32869002       6.46875004       0.79918767       0.21656185       1.02269336
Cl       8.33718996       1.60055006       7.48086000       0.04482279       0.92773721      -0.07090452
Cl       2.13544006      10.92020000       4.70085996       1.15310949       0.51022717       0.05685735
Cl       8.19064001      11.32180002       2.98963002      -1.23181425       1.55145431       0.47275477
Cl       5.07249002       1.76679004       9.81136998      -0.29962064       0.80163486       1.37114707
Cl       3.54498999       4.31785997       3.09344001      -1.70321058       0.47882734       0.71001896
Cl       2.59172005       7.67567002       6.87862995       0.14088135       1.84063065       1.16344476
Cl       5.48609003       0.10070404       6.37790996       0.34518666      -0.06518384      -1.78066265
Cl       4.37814996       5.73370002      11.52179999      -0.00839324       0.87410558       1.17566698
Cl      11.63170006       2.02409002       4.21684997      -1.03063651      -1.25839222      -0.63947706
Cl       8.17761995       3.52735005       4.99679000       0.34817573      -2.71782278      -0.84757966
Cl       1.24694003       1.22779002       1.17689996       0.46144998      -0.47438868       0.01352198
Cl       0.72001295       5.92464005       5.64354996      -0.70456671      -1.17810323      -0.82821564
Cl       5.68314994       2.16552998       2.76186006       0.69449237      -0.07603848      -0.33307068
Cl       3.04150006       3.18972001       6.55621002      -2.35668320      -0.65906341       0.25991107
Cl       6.58086997       7.61887998       2.14729998       0.18730442      -0.05348678       0.04109820
Cl       4.47921994      10.90290005       1.45784005      -0.15179298       2.61507458      -3.25900259
Cl       8.75136005       2.02176003       0.23472801       1.64710459       0.82583237       1.01365482
Cl      11.45520001       5.59365005       9.48858000       0.20690205       0.13746817       0.37499034
K        0.36462594       3.58068000      11.62040004      -0.26320223       0.21950156      -0.00547533
K       10.39009998      11.51770003       1.57690995       1.05500084      -0.09109895      -0.32273736
K        7.21798998      11.57649994       0.26517604      -1.22517621      -1.23236682      -0.39162345
K        6.53005005       7.92373995       8.16396995      -0.12132929       0.18032253      -0.42737647
K       11.57360000      10.43100005      10.15219997       0.43553221       0.65964748      -1.11703610
K        8.27332999       7.01921995      11.64059503      -0.50603053      -0.40525377      -0.06782732
K        7.63339000       3.32800995       9.87950001      -0.00010111       0.02605017      -0.89899953
K        4.85522996       9.67058005       3.46309000       0.58291507      -1.68570667       3.15200943
K        0.20007105       7.07722999       0.97252295       1.18470605      -1.30794614       0.70512332
Li      10.32840001       6.56584003       4.43294005       0.46827316       0.01432727      -0.39474209
Li       4.57723004       4.45508003      10.01729996      -0.22302715      -1.33529779      -0.94050699
Li       8.33680005      11.27629995       7.19879005      -0.28908650      -1.42097098       0.08987721
Li       7.93267000       5.40866003       5.26554000      -1.80279566       2.03212874      -0.38831282
Li       5.35887995       4.42998995       2.10704001       0.40572757       0.34397065      -0.10650426
Li       2.14787999       1.08068006       3.41104003       0.04775072       0.17171350      -0.20906981
Li       5.26005999       0.14311500       8.41057998       0.10420410      -0.73098671       0.81696790
Li       4.55885004       1.49192003       0.91284104      -0.30367849      -0.51014756      -0.14230453
Li       3.93048996       8.21016999      11.54840002       0.35780399       0.22232628      -0.14047688
Li       3.32608998       6.61248995       5.24526002       0.40800932      -0.69628728      -0.64545871
Li       1.22882998       9.77897005       3.26063004      -0.16506144      -0.91901778      -0.79387051
Li       9.58882001       2.69358996       3.18985002      -0.06423670       0.64214376      -0.04711000
Li       9.73647001       4.05271000       6.87952002      -1.62338578       1.30236884      -0.86896410
Li       2.15294005      10.27320001       6.98603004       0.37584594      -0.35208766      -0.20336136
Li       7.06844001       1.27309999       4.49460998      -0.50678714      -0.04605041       0.28784947
Li       8.34687001       9.68189001       4.13147996      -0.02562704      -0.98488144      -1.87636024
Li      11.35270005       7.90276000       6.49132997       0.14209897       0.17400460       0.13311495
Li      10.62460000       1.43330999       6.27935001      -0.29031693      -1.40641508      -0.54184042
Li       4.80047997       4.05196000       6.39076997       1.89173288       1.00534494      -0.29624620
Li       1.24097996       4.31858999       7.78479003      -0.19595608       0.41979149      -0.14469681
Li       1.06754004       3.48539997       5.01571004       1.19665215       1.66805219       0.65888391
60
Lattice="11.69144674 0.0 0.0 0.0 11.69144674 0.0 0.0 0.0 11.69144674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-463.39822527 stress="-0.007454222977012748 0.0036643715828711216 -0.0004963253112524759 0.0036643715828711216 -0.019795433367492066 -0.0012951608911655893 -0.0004963253112524759 -0.0012951608911655893 -0.02004463696016504" free_energy=-463.39822527 pbc="T T T" config_type=melt 
Cl       6.72323005      10.76299996       4.38418006      -0.51214217       0.34470461       0.59635415
Cl       6.18250999       0.00551462       9.18152006       0.21745180       1.30898043      -1.88705798
Cl       2.32688002       5.11610998      10.71680004       0.35773441      -0.34820260       1.74065796
Cl      10.97560003       4.37102005       8.72977997      -0.18761979      -0.38904680      -0.79184571
Cl       2.15022997       3.95342998       1.75355006       0.08393991      -0.68429505       0.74608167
Cl       1.47095996       7.14254998       1.68944001      -0.70591163       0.75966506      -0.02819873
Cl      10.48290002       5.02624005       5.64805000      -1.88579890       5.90305319       0.77166797
Cl       2.97444996       1.21756994       6.60486000       0.91531637       0.13563221       0.21387743
Cl       9.70934994       5.99888997       0.38258506      -0.00923379       0.14586380       0.82155398
Cl       2.88798996       9.57890005       8.75195000      -0.02967019       1.55985620      -1.01519740
Cl       9.66129997       9.82967995       5.53536000      -0.56681267       1.09542613       0.86964348
Cl       2.50211995       5.59352998       7.81237004       2.03543317      -0.50691474      -0.76526139
Cl       0.74109602       1.68101001       8.87203998       0.42660179       0.04901135      -2.39123231
Cl       3.82507999       7.62770995       4.79777995      -0.02053256      -0.34332084      -0.02933605
Cl       6.81153999       6.34651994       8.31364000       0.53787856       0.38135804      -0.83069938
Cl       0.12797200       7.93041998       6.05250005      -0.75276864       1.97624548      -1.47651177
Cl       1.55649002       3.87453995       4.86121002       0.28560958       0.11277760       0.14017966
Cl       9.03080994       8.36540002       2.60562001       0.09552100       0.87360186      -1.72106918
Cl       5.68449996       3.24516003       8.22115995      -0.75765517      -0.20027905       0.08106689
Cl      10.47580004       8.81000002       9.87886996       1.16835689      -1.62789747      -0.16546376
Cl      11.37709998       0.87232199       4.47305002      -1.46959184      -0.57394935       1.12605099
Cl       6.82438994       5.83529004       4.32645997      -0.17872957      -0.29485071       0.62552684
Cl       5.97736006       4.27302000       0.72821895       0.05754406      -0.18607500      -0.22270314
Cl       8.28142994       1.84927997       6.51680002      -0.11696421       1.35180982       0.31817948
Cl       5.26905995       8.32494001      11.02789997      -0.18634479      -1.73371505      -1.48710184
Cl      10.63259999       2.41047000       1.20622994       0.18107979       0.54748043       0.12285677
Cl       2.55648998      11.39949997       2.99900001       0.84479230       0.49304091       0.59181342
Cl       2.29380000       0.19639701      11.33870001       0.16049213       0.39683271       0.16503006
Cl       5.75595001      10.51739996       1.05040997       0.30617622       1.22867212       0.78045751
Cl       9.58191002      11.35809998      11.49392969       0.11437732       0.33425849       2.10294209
K        8.19163005       3.44010006       3.16223003       0.00632132       0.05367496      -0.16132278
K        7.47830004       2.10751995      10.99920004       0.14734138      -0.01001592       0.16115318
K        8.72654004      10.65400002       9.20437999      -0.31488675       0.00471181      -1.68554201
K        9.00986998       7.37235005       6.96780003       0.50587853      -0.26005150       0.16460921
K        0.47176999      10.03270005       1.91656004      -0.20008356       0.43959944       0.12194413
K        1.22768001      10.73400003       6.44943998      -0.69959492      -0.54616087      -0.54799584
K        6.61781997       7.12687000       1.60624999      -0.21688522      -0.25504964       0.15377252
K        5.11894995       8.95607003       7.24558998       0.44000439      -0.33199479      -0.48888263
K        2.31405999       7.71932003      10.46150000      -0.39833386       0.09248004       0.89046248
Li       0.19961497       5.17387999       1.70217994      -0.32702210      -0.22049685      -0.57362899
Li       3.28848000       2.19857995       1.13900997      -0.01258247      -0.52342298      -0.22511925
Li      10.49899996       5.64010999      10.19000005       0.17527578       0.77800085       0.37169975
Li       5.26062001       1.10714996       6.67686996       0.32695424       0.47447479       0.39627400
Li      10.53389998       8.47219004       0.39065403      -0.86904941      -0.80783728      -0.11043041
Li       2.09190006       3.98335003       9.14794000      -0.49809026      -1.10051299      -0.50566079
Li       7.89714998      10.40059995       1.70162004       0.17468235       0.11686994       0.16735909
Li       5.59681995       5.88674000       9.87090002      -1.14284807      -0.29703852       1.52360236
Li       5.25508002      10.46080003      10.34590000      -1.38513471      -1.43810604       1.98803947
Li       2.51343996       0.17068799       8.99127005       0.14614826       0.14034304       0.24075087
Li       4.59240998      10.44890001       3.51844000       0.05049745      -0.07289756      -0.47757243
Li       8.50236999      11.57810003       6.12051995      -0.08510068      -0.94046535      -1.16849460
Li      10.69200002       3.36099000       5.25887003       0.97570078      -6.20441714      -1.15993045
Li       2.65026999       5.82560999       3.02188005       0.26394097       0.02610972       0.48532446
Li       0.36085323       1.52348004      10.77519998      -0.63972873      -0.19838199       2.73649805
Li       4.74820003       5.36405997       5.80908998       0.09393302       0.51751726      -0.13489273
Li       1.32621002       3.03118995       6.93350996       0.06540687      -0.14126176      -0.16536270
Li       9.86029997       8.04229999       4.41824998       1.00005640      -0.60791420       0.67159874
Li       7.59355000       4.16211003       8.08362996       0.57588715      -0.03210669      -0.60394805
Li       0.84624001       2.17198004       3.55970005       1.36134572       0.87605875      -1.38769085
Li       1.04711999       6.56060998       6.91741001       0.07143674      -1.64143233       0.32112449
60
Lattice="11.69144674 0.0 0.0 0.0 11.69144674 0.0 0.0 0.0 11.69144674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-464.89895719 stress="-0.016427427874249008 -0.0018425471210071474 -0.006741899769206769 -0.0018425471210071474 -0.022253776641801813 -0.0012389288947487307 -0.006741899769206769 -0.0012389288947487307 -0.015348256590912802" free_energy=-464.89895719 pbc="T T T" config_type=melt 
Cl      10.66399995       8.66272999       4.35155998       1.43089085       0.30279988      -1.18697928
Cl       7.29286995       5.24541002       0.06094085      -0.36737525       0.04434687      -0.27929681
Cl       5.82305997       3.85434006       7.38540998      -0.54393855       0.42751792      -0.50106261
Cl      11.11020004       4.01435995      10.53990003      -0.03924749       1.53411417       1.44222038
Cl       2.86808995       3.73523999       9.48754999      -0.16058708      -0.32494491       0.61210280
Cl       1.35711999       7.36317004      11.09620000      -0.10529649       0.54042032      -0.10967181
Cl       8.73281005       2.96118999       5.51082001       1.43078584      -1.05874848      -0.18464507
Cl       2.52755002      11.55429999       8.37113000       2.30429036       1.75737217       2.04537667
Cl       8.92509003       5.22748002       8.20727005      -0.18497583      -0.13997092      -0.12168245
Cl      11.22409998       0.75574997       9.39305995      -0.63096722      -0.51155627       0.35258516
Cl      11.68510004       0.21812802       5.03327000      -0.49451190      -0.75523637       0.41381877
Cl       0.61864004       2.93263001       6.83487004       0.68740392       0.34905438       0.03944123
Cl       4.07180003      10.02959995      10.62229995      -0.56786035       0.40943673       0.77386336
Cl       2.61230003       0.41830500       2.83597997      -0.78803580      -0.39277983       0.34148773
Cl       2.08272999       8.72476002       7.57430003      -1.42768713      -0.87658891      -1.20836114
Cl       9.33036001       1.36524999       1.18966001       0.21223512       0.44689858      -0.00531929
Cl      11.37600005       6.18754000       6.01285003       1.40764414      -0.33615243       0.61254643
Cl       8.38849998       9.43026997       6.83251000       2.20599851      -0.32210319      -1.85156298
Cl       9.12852004       6.59380994       2.37183000       0.57065551       2.63091529       1.58843619
Cl       8.84762005       8.87838995      11.19330003       1.77858666       2.49543122       0.66079971
Cl       7.38347001      10.32299996       3.53347006       2.32306863      -1.25526538       0.36218392
Cl       4.59105003       3.18773001       2.00208999       0.32168963       0.46475220       0.31607255
Cl       7.43876997       1.19535000       9.15717005      -0.01849669      -0.22324448      -0.13448190
Cl       3.15474002       8.24764996       2.86301001       0.22941004      -0.33057255       0.15454797
Cl       6.18868003       8.47766994       8.59515998      -1.55705583      -0.03311262       2.29422355
Cl       0.15028595       3.97862996       2.69579999      -0.17806920      -0.24222190       0.23067542
Cl       4.66948000       0.57619600       5.89252002       0.56637833      -0.28584562      -0.39465282
Cl       6.53815000       0.16764599       0.66859900      -0.52849847      -0.41003360      -0.20958151
Cl       7.19530997       6.25702005       5.04076001       1.21054039       3.44305437       0.07997123
Cl       1.54731995       1.93415999       0.40034004      -0.11954007      -0.16611351      -0.74027711
K        4.90430002      10.81879996       2.93103003      -1.07444237      -0.05274672       0.05421246
K        4.32487999       1.09856002      10.54910003       0.60493552       0.88855519       0.20847027
K        7.13937003       1.46441006       3.83489999      -0.70619707       0.05337828      -0.18506891
K       10.79149997       7.09654999       8.76445996       0.30509816       0.95490853       0.44119426
K        2.85268003       6.00799001       8.03493999       0.36162493      -0.08174878      -0.50165179
K        1.22340000      10.51870005      11.34069995      -0.17569421       0.14920687       0.32812106
K        5.09036004       5.94969003       3.81141000      -2.41303587      -0.70744463      -1.60849953
K        5.33176994       8.28138002       0.31022599       0.42119479      -0.88152057       0.95795968
K        0.52017901       6.85113997       2.76316003       0.59256142      -0.19953225      -0.67102854
Li      10.97140000       2.56166999       0.34334003       0.79680511      -0.63761694       0.60448206
Li       1.67708005       5.30866998      11.15340005      -0.01186205      -1.66257240      -0.11568971
Li       7.83451995       4.70017999       5.85298995       0.12178731      -1.33118306       2.26315417
Li       8.95889994       0.45420499      10.57839997       0.47366328      -0.05984464       0.27541653
Li      11.18279994       3.95710004       8.57225001      -0.24352984      -0.57483143      -2.17109091
Li       7.87073000       3.33177997       8.12040002      -0.36161221      -0.69838074       0.00002840
Li      10.02170004       6.76317996       4.59792005      -1.75993802      -1.12307074      -0.16370859
Li       6.82800003       7.95240995       6.81045000       0.63703697      -0.95780809      -1.74952706
Li       3.33297998       2.16400004       6.44911005      -0.19670760       0.03524684       0.36138274
Li       7.74148000       7.39644004      10.92170001      -1.29670308      -2.95013382      -0.96093399
Li       1.01514003       8.70531995       5.53106001      -0.00820312      -0.05427869      -0.16139691
Li       1.11401997      11.15239996       7.19219000      -2.50524041       0.05459857      -1.94742932
Li      11.16589996       2.80501003       4.82420998      -0.10479359      -0.28723478       0.15061943
Li       8.98258003       4.97993000       1.43443997       0.02590943      -2.53366582      -1.52322572
Li       1.68803996       1.62064999       9.81241998      -0.69370463       0.53303620      -0.34759231
Li       9.66899996      10.26610003       4.80252001      -1.24202422       2.43094165       0.98391464
Li       3.64894004       9.42900998       8.71162000       0.91113138       0.58136647      -0.43323671
Li       2.19010996       2.51193001       2.63344004       0.22421168       0.10168987      -0.53123925
Li       8.94743999       8.91411995       2.39704997      -0.27684030       0.18284125      -0.16666622
Li       7.29008002       2.19509005       0.55128994      -0.30184236       0.33604915      -0.17882777
Li       7.51931001      10.47000003       8.24999994      -1.07102360       1.31017212       1.39507925
60
Lattice="11.69144674 0.0 0.0 0.0 11.69144674 0.0 0.0 0.0 11.69144674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-464.40367539 stress="-0.018040168065595583 0.0032323537946859554 0.0003459695097305966 0.0032323537946859554 -0.013336448449316932 -0.0036566951320726702 0.0003459695097305966 -0.0036566951320726702 -0.015376980583887447" free_energy=-464.40367539 pbc="T T T" config_type=melt 
Cl       7.75499999       7.71609997       3.02158999      -1.55859633       1.40951112       1.06503996
Cl      10.52259996       2.97136997      11.50869996       0.25477981      -0.23625180       0.10826064
Cl       0.56079895       9.75036997       6.80714003       0.24697859       0.30977035       0.57586578
Cl       5.78064995       3.38633998       3.77181996      -0.66793520      -2.36901169       0.01755404
Cl       9.44513997       7.69459005      10.29599997       0.70496959       0.41089630      -0.02308154
Cl       6.87914005       4.21040003       0.79322105      -0.18990188      -0.12150478       0.12681543
Cl       4.61987997      10.93580001      10.10090000      -0.71994889       0.18843548       0.06228520
Cl       4.94609004       9.78697004       3.86901995      -0.14697570      -0.46078442      -1.03396819
Cl       8.08940997       7.52222001       7.15888995      -0.49852468      -0.02493391       0.20779960
Cl       3.62223000       6.61282000       9.52714997       1.14818139      -1.49385056      -1.27191333
Cl       1.43261996       8.68118997      10.06340004      -1.28911636       1.27343988      -0.40448521
Cl       3.62992005       7.03633003       1.49913003      -0.24952461       0.75485061       0.58171162
Cl       8.51416000      10.60220001       8.29157005       0.88867522       0.45369659       0.47717014
Cl       2.91274005       1.80791996       5.89329996       2.73974102      -0.76697820      -2.23663795
Cl       6.87668999       7.59026996       0.27385495      -0.90081130       0.62456745      -0.89106718
Cl       7.07129003       4.56336995       8.95513004      -0.00917282       0.17851425      -0.30568451
Cl       4.30642001       9.27459999       7.46163002      -0.28654447       2.75480424      -0.38812807
Cl       1.58204998       4.89136998       3.61199998       1.29450949      -0.31623763      -0.67472200
Cl      10.80360003       6.92032002       5.39531997       1.93426584      -1.08246483       1.49030054
Cl       6.53141000       0.42143001       6.00985000       0.24888086       1.18904435       0.00377682
Cl      11.15789997       1.83677995       3.82710998       1.51556755       0.08955937       0.21788073
Cl      10.02540003       2.49612996       7.22206994      -0.61268767      -0.03868098       0.14471565
Cl       9.10410000       5.28335005       3.40430997       0.12125202      -1.43820914      -0.12102290
Cl       5.39706001       5.52251005       5.89400004       4.02135441       0.72091843       2.04470894
Cl       2.72276000       6.64922997       6.13844996      -1.12724188       0.64629291       0.03097041
Cl       2.19742998       3.08420996      10.41349994      -0.13264357      -0.24535281      -0.69867158
Cl       9.49806001      10.36709998       3.70722997       0.68041286       0.07419639       0.91146469
Cl      11.41470002       8.10099000       2.19151995       1.34726615      -0.45459125      -2.90308101
Cl       3.01203001       1.41569004       1.50882002       1.07125901      -1.23537901      -0.12162543
Cl       6.70087998       0.21861100       0.45278705       2.87962979      -0.55798081      -0.50924648
K        1.76180995       0.18236295      10.80550001      -0.12718414       0.25568279       0.32716903
K       10.14770005       5.19706998       9.06803001      -0.10236697      -0.52277485      -0.11032920
K        8.31459004       2.14307995       9.97775002      -0.39729166      -0.27420637      -0.14370776
K        1.29191995       2.37879004       7.59204998      -2.17284338       0.97410324       2.01176911
K        3.83300995       4.36794999       0.62530697       0.47536676      -0.14365581      -0.28578028
K        2.39727995      10.86060004       4.44734999      -0.83210052       0.48350220       0.06886058
K        7.16695003      11.58120002       3.04122005      -0.69877653       0.09461043       1.23469683
K        9.05958996       2.55862004       2.39282001      -0.99339308       0.54895878      -0.83195582
K        9.49017004      10.61710006       0.79165101       0.22034224      -0.60288252      -0.26820898
Li      11.01000001       8.39311997       4.00697002      -0.65624952       1.62459355       1.79029343
Li       3.05544000       7.75024005      11.04969995       0.15207870       0.60118160       1.44166436
Li       8.71103999       0.06467287       6.39566003       0.73962933       0.23406525      -0.11089389
Li       5.37515994       2.39595004       5.60794004      -0.98128327      -0.63405846       0.34012212
Li       2.16329002       7.27673003       3.39082002      -0.35867663      -0.54493951      -0.09614937
Li       7.15570005       4.21981001       6.66604999       0.46172761       0.75535946       0.36322161
Li       4.73404999       7.41535996       7.55040996       0.36073023      -3.12697963      -0.28371147
Li      10.56249995       8.84732005       8.47362003      -0.54584172       0.15697350      -0.23004042
Li       4.92797005       0.93767905       0.40282400      -2.08182703       0.67018550      -0.56429564
Li       3.86334002       5.07953002       4.97949005      -3.36467125      -1.03934192      -1.62121765
Li       6.37116002       5.16131005       3.18639005       1.52349190       1.91944546      -0.98853125
Li       1.77746000       2.68399000       2.43733999      -1.74858711       0.97484260       1.26728289
Li       5.34976004      10.40100003       5.84169005      -0.08018900      -0.63594171       0.49388150
Li       5.49285002       8.37747997       1.85113997       0.36996154      -0.07550727       0.38365114
Li      11.18940000       4.70586998       3.96170998      -0.73934592      -0.12280058       0.41291227
Li       8.85553002       6.88487997       1.40375004       0.33114727      -0.50906154      -0.36809047
Li       6.68427999       9.83671002       9.06153004      -0.84220231       0.05610818       0.20687970
Li       8.93320004       7.51349995       4.93779005      -1.86793184       0.05826599       0.13921139
Li       7.13190995       6.92454004       9.91894005       0.44346425      -0.77308190      -0.46744950
Li       1.72089000       7.17350999       8.25104002       0.54716636       0.12862015      -0.35814890
Li       2.37539999      10.28750005       8.34108999       0.25755741      -0.76755252      -0.23609014
60
Lattice="11.69144674 0.0 0.0 0.0 11.69144674 0.0 0.0 0.0 11.69144674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-460.31697252 stress="-0.029109909540879508 -0.0015159313701552176 0.007843994124520932 -0.0015159313701552176 -0.02146403373607385 -0.0026075820766339325 0.007843994124520932 -0.0026075820766339325 -0.02109691841784738" free_energy=-460.31697252 pbc="T T T" config_type=melt 
Cl       3.79173002       0.14185326      11.18500004      -0.32517002       0.79191382      -0.18357155
Cl       5.32738998      10.93520001       2.76064999      -0.64607923      -0.87529627      -0.30469795
Cl       6.38732999      10.47599996       9.14501994       0.53425912      -0.67598388       0.28975243
Cl       0.20376602       3.10977998       1.35946003       2.69248594       0.32548184       0.31359825
Cl       0.04633636       7.77983005       2.50081998       0.06879530       0.56480774      -1.06424565
Cl       2.58853003       2.00451000       4.34716996      -0.81582319       1.31217513       0.30120704
Cl       4.89123003       2.80253004       1.97837997       0.34592932       0.25988024      -0.49293310
Cl       8.44929995       6.53803005       8.22075005       0.60485201       0.63656852      -0.28800293
Cl       1.81512996       5.06796998       3.69209002      -0.71520391       1.76961207       1.27029017
Cl       7.86706999      11.35490003       1.71202005       1.09040037       0.27794140       0.57268608
Cl      11.63910004       9.52643001      10.54790002       1.24088645       0.93947766      -0.30407901
Cl       2.90705999       4.46627003      10.69729999      -1.55964533       2.07600985       0.79569365
Cl       9.66392002       1.25252001       4.65952006       0.03224808      -0.21224378      -0.13112030
Cl      10.16040000       5.44925004      11.40000002      -4.25288062       0.86797616      -3.49788551
Cl       7.60872000       2.06006998      10.60090004      -0.57215495      -0.16698170       0.40986778
Cl       5.95540995       3.12701995       6.43090998       2.57844680       0.00048748       0.25250114
Cl       9.26676999       9.68637005       5.92096005      -1.74317715      -0.49137141       1.69510394
Cl       2.82856000       3.46682998       7.57201996      -0.22579771       0.79742834       0.80759566
Cl      11.68002069       7.88032002       5.67039002       0.51252142      -0.43991555       1.10374721
Cl      10.25859996       5.51990005       5.05814005      -6.37277970      -3.83738381       2.18472977
Cl       3.58244997       7.67642002       0.39910998      -0.39227980       0.62232598       0.36072317
Cl       2.39537997      11.06850004       3.04659998      -0.84799152      -1.95289607      -0.15931542
Cl       1.24369998       6.94118995       8.55137995      -0.06487701       0.08100672       0.53332088
Cl       5.52037005       0.02372686       5.77339003       0.08333678       0.22234661       0.35243587
Cl      10.64270000       3.61190002       8.47769999      -0.01759275      -1.14613801       1.07503109
Cl      10.64440005       0.60988596      11.37589997      -0.91324067      -0.14372492       0.31527341
Cl       7.71994003       7.24164996       3.30738998       0.77872740       0.22118190      -0.53783014
Cl       1.21754001       0.54753606       7.48538997      -0.29165147      -0.73427019       0.58218327
Cl       5.06197999       6.58482998       9.11082994       3.54532931       0.18669892      -1.56140729
Cl       5.46427004       7.68712004       5.48526999       0.97468038       0.44162432      -0.29729998
K        0.43570105       3.13165000       6.03157002      -0.07164462      -0.36973945      -0.40524754
K        3.40918998       6.35946997       6.41047005      -1.46163069      -1.36610297       0.50526444
K        9.42729999       2.76419998       1.19009002      -2.35497096      -0.44106717       0.30060068
K        1.11305999      10.10630005       5.42109996       0.71637719       1.86789923       0.40386268
K        8.61783998       0.72190603       8.28140001       0.31011655      -0.02722966      -0.82485003
K        6.92458003       4.18490999       8.72463995      -0.00452368       0.27807092       0.78031394
K        6.16121005       6.69255006       1.26528999      -0.46618846      -0.37538552      -0.86268446
K        6.96846002       5.11740996       5.04183001       0.48279244       0.33338220      -0.57894959
K        4.13778995       9.59400996       7.00535997      -0.12788794       0.60566867       0.77906464
Li      10.22919995       5.25782002       7.40729999      -0.13947054       1.46812885      -0.73184855
Li      11.23429995       5.42956001       1.10429000       3.50759575       0.24431175       4.89519607
Li       8.63845002       7.65227005       5.14582999       0.71497742       0.12365397       0.45992221
Li       7.21565005      11.37200005       4.17775996      -0.34614718       0.04937862      -0.16529731
Li       0.03202089       6.18215995       4.42748997       5.06393511       2.44178154      -2.60834047
Li       4.13776002       2.69178001       6.22298005      -2.34285803      -1.39004288      -0.87107937
Li       6.01933001       1.07624000       0.31054996      -0.37126190      -0.16991510       0.76317066
Li       4.07655997       0.66689602       4.01893002       1.45760603      -0.88121250      -0.32206406
Li      10.88649999       8.43712997       9.14202004      -0.15448038      -1.83323198      -1.95274081
Li       1.50968004       1.00778003       2.31929005      -0.67026480       1.92811210      -0.41527014
Li       0.75785899       0.52915324      10.35040004       0.89859652      -0.21789723      -1.13245619
Li       4.25739006       9.70447999      11.46329997       0.26923520       0.17895632       0.01125759
Li       7.33933995       8.47732002       8.26026001      -0.59430406       0.15565095      -0.08039859
Li      11.19469997       9.38877001       0.76340295      -0.28658057      -0.46237760       2.07345015
Li       3.85718003       2.82076998      10.52959998       0.84003609      -2.22709586      -0.25195907
Li       2.73586997       9.01028000       2.56553997       0.16605262      -0.86588838      -0.61265333
Li      10.17609997      10.76939997       4.58594005       0.34066721       1.34036635      -1.35347726
Li       2.94318002       3.87554004       2.64675999       1.04202726      -1.55590141      -1.07141048
Li       3.36196998       6.77674999       9.79816004      -3.72025918      -0.17547158       1.62728783
Li       0.13833098       4.73893000      10.44300003       1.37306786      -0.73441267      -1.34686319
Li       8.45533998      11.27280000      11.51719999       0.60283609       0.35887141      -1.40515239
60
Lattice="11.69144674 0.0 0.0 0.0 11.69144674 0.0 0.0 0.0 11.69144674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-464.37825245 stress="-0.013217894703410218 -0.0013507692047830437 0.0009803817816388398 -0.0013507692047830437 -0.014727834830230973 -0.00022888645061921504 0.0009803817816388398 -0.00022888645061921504 -0.008814144705811952" free_energy=-464.37825245 pbc="T T T" config_type=melt 
Cl       2.47528002       9.34115998       2.47226000       0.44796140       0.32934947       0.15262912
Cl       0.82016002       1.11850995       3.79806994      -1.58809606       2.58341414      -0.18455418
Cl       1.80840001       8.93500999      10.92170001      -1.32714905      -0.60617827       0.69152192
Cl       8.02294994       0.70847303       2.93221005      -0.74669317       0.13195382       1.12291644
Cl       3.69278005       6.95676003       8.01327001       0.26047938       0.34348443       0.68141709
Cl       2.00965997      10.20050002       5.96251999       0.09343323      -0.71433621       1.12173795
Cl       4.67220995       5.83965995       3.19066000      -0.75381191       2.52036806       0.88712334
Cl       0.60135903       0.45832704       8.50436000       0.11145000      -0.17757140      -0.16703018
Cl       6.00908001       9.69901997      11.41340005      -0.46979949       1.03234244       0.85131244
Cl      10.93570005       3.96893997      10.28099996       0.28746629       0.10518249      -0.44274386
Cl       0.31680395       3.83651002       5.61656996       2.17982446       0.81002843      -1.89849741
Cl       4.11504003       2.23987005       4.98145001      -0.06692312      -0.07232489       0.37106704
Cl       5.49820003      11.21930006       7.86680003       0.38038450      -0.04636325      -0.73052724
Cl      10.47169996      11.66240004       0.89023796       0.03893174       0.29430953      -0.61742976
Cl      10.70480005       4.78583994       1.90261004       0.88631478      -0.60191905      -0.87083235
Cl       2.05743999       5.53215000       0.27726500      -0.20571280       0.22512369      -0.44998996
Cl       7.92987001       8.10008999       6.29414998      -0.53725125      -1.85701951      -1.80364117
Cl       9.51375005      10.06740003       7.62773006       0.07287909       0.44867674       1.34921760
Cl       7.20537000       5.03790005       7.98467998      -0.79836979      -0.71468991       0.63409697
Cl      10.78539995       8.62525002       2.31514005      -0.02855439      -0.92032041       0.80733285
Cl       8.72534997       4.42483998       4.36364999       0.10392880       0.35415316       0.77085440
Cl       9.14902999       1.42677997       6.82695996       0.05028409       0.77116778       0.00093291
Cl       6.13373000      10.10090000       3.58021000      -0.59138836      -0.06714933       0.79301414
Cl       5.51476996       3.30481003       1.43881000       0.35277503      -0.29625592      -0.45464971
Cl       7.80186001       6.25736997       1.65053006      -1.43888484       0.90017180      -0.41158163
Cl       3.21262005       2.70357001       8.50238005       0.59982296      -0.55709214       1.05984205
Cl      10.65969995       7.06551001       8.17348001       0.74278578      -0.62044390      -0.78028664
Cl       2.14427002       1.00532997       0.77938995      -0.99514176       2.94697185      -0.59339971
Cl       7.91331995       2.59824995      10.46559995      -0.29443962       0.57135901       0.67991968
Cl       9.54460998       8.22618996      10.90900006      -0.30173615      -2.19624586      -2.27113397
K       10.68440000       6.80539005       4.98556995       0.49510912       0.42277301       0.43829347
K        2.96637000      10.20850001       8.97717005       0.63218239       0.70955973      -1.01684654
K        6.52694995       7.42316002      10.41369998       1.04601565      -1.27692827      -0.96320351
K        7.57036001      11.63140005       9.82790998       0.65243059      -0.52469119      -0.04332411
K        4.45825999       0.11086496       0.85437796       2.16559246      -0.19751110       0.60445505
K        2.84750996       4.03459001       2.60259999      -0.47302502      -1.14169825      -0.01226737
K        4.57091000       8.17920999       5.59271999       0.10284577       0.04166800      -0.63933283
K        2.10970999       4.76305004       7.26597004       0.30634666       1.04967061       0.42876125
K        4.75479997       5.05642994      10.43940000      -0.49814887      -0.70613422       0.06868100
Li       9.53649997       6.24596999       2.83503004      -0.43763382       0.44294585      -0.27734833
Li      11.53499998       6.78621000      10.34939995      -0.14740300      -0.26623286       0.12878956
Li      10.29130001       3.40180998       6.17396004      -3.75465699      -1.25151322       0.62905732
Li      11.44070005       3.45205000       3.38461000      -0.07587477      -0.83284079       0.60688175
Li       1.10956997       2.79320003      10.95040005       0.03912925      -0.14971096      -0.10417058
Li       8.59095994       6.30330999       7.10178004       0.38650113      -0.23127397       0.45718235
Li       9.53330996       2.62580997       8.89312995       0.14356622      -0.04943454       0.17313827
Li       9.67212005       9.57547002       0.50311405       0.30932743       2.10115588       2.46775994
Li       5.65101004       0.71710798       4.55230996       0.58014549      -0.28258059      -0.47158567
Li       9.17818004       1.76101996       1.66589004       0.61525786      -0.02103447      -0.83925434
Li       5.37954003       8.93390995       1.91348005      -0.28120772      -0.34333115      -0.00118579
Li       1.13192004       7.82608001       1.20041006       0.30494558       0.12793473       0.16585128
Li       7.23189999       9.88184005       6.71617999      -0.59855860       1.87095011       0.67472325
Li       6.31996995       4.71720004       3.22913001       1.36802925      -0.93258768      -0.22376765
Li       0.99317800      11.10419998       0.67036803      -1.12690857      -1.80765548      -0.03212419
Li       9.79478005      10.75839996       5.73096001       0.17267418       1.12703033      -0.97203571
Li       8.32691996       4.47887002       0.68367699       0.25042306      -0.84619108      -0.66571625
Li       5.27990002       2.60023995       7.81303996       0.31770512      -0.13277336      -0.47975452
Li      11.52239999       9.27583005       8.28438005      -0.16485312       0.34961613       0.24428389
Li       1.69197998       0.81060296       6.18553995      -0.11520319       0.50891619       0.78461134
Li       1.69013004      11.20950005       4.23620995       1.32047666      -2.67824421      -1.42919050
60
Lattice="11.69144674 0.0 0.0 0.0 11.69144674 0.0 0.0 0.0 11.69144674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-465.84346902 stress="-0.02490100440991281 0.004058554503655881 0.006284130225900249 0.004058554503655881 -0.011095573383865472 -0.00019029318992794033 0.006284130225900249 -0.00019029318992794033 -0.02044810232821992" free_energy=-465.84346902 pbc="T T T" config_type=melt 
Cl       0.75821698       3.89398996       0.33615330      -3.53724241       0.22640940      -0.85537078
Cl       1.00836004       9.74970005       1.83241003      -0.62772008      -0.02074080      -0.66001496
Cl       6.79912999       4.88721005       5.17954006       0.12529003      -0.39085957       0.41976718
Cl      10.09699997       0.52147103       0.72360001       0.24335090      -0.20871895      -1.69883063
Cl       6.73799003       6.15032005       9.55410998      -1.72778957       0.02400490       0.40892946
Cl       9.04970998       7.57990000       2.73813005       1.11091825      -0.85084754      -0.73512731
Cl      10.25900005       7.76797001      11.61160000      -0.13132446      -0.86492479      -0.03541872
Cl      10.10469996       7.52764005       6.25567997      -2.94108446       0.10422818       0.70070340
Cl      11.29059999       2.36623004       8.40644004       0.71852904       0.36053411      -0.41344251
Cl       1.20839005       9.45994005       7.60278998       1.31981103      -0.32283799       3.08458061
Cl       7.24308006      10.15769997       1.70692995      -1.02454154      -0.30386129      -0.24048255
Cl       4.64589005       1.22593003       9.43229995      -1.61657072      -0.39440324       1.00210064
Cl       1.25601002       0.94060203       5.17776997      -0.58521161       1.04790301       0.86830105
Cl       1.33173996       8.53438994       4.77912999       0.84758394      -0.25400686      -0.77967546
Cl       3.87017004       1.68073000       1.60080002       0.34590657       0.33514725       1.60827449
Cl      11.30890003       5.38780003       4.36774001       0.28730968      -0.82598927      -0.70327423
Cl       5.95352997       9.96810995       6.85665003      -1.32764589       0.28312470       0.02370032
Cl       3.30417997       4.66165000       2.93584995       0.60868476       1.48495189      -0.46607077
Cl       4.46145000       8.58090004      11.62119997      -0.22144410      -0.25407225      -0.32693251
Cl       3.47508999      11.00130005       3.27449001       3.06220066      -1.09636031       0.32722247
Cl      10.16469999      11.07329996       4.91057996      -0.22031648      -0.52638523       0.04732794
Cl       8.85348998       4.37087005       0.01565321       0.08936388       0.55739356      -1.69176298
Cl       5.79611001       8.05187996       3.96685994       0.80000300      -0.47878141      -0.28477519
Cl       1.56041005       5.90735004       8.48113996      -0.13741322      -0.12126243      -0.08283931
Cl       7.38668996       1.33156003       9.09570998       2.18098033      -0.04377780      -0.12689300
Cl       8.05320004       9.53279004      10.26280000       0.86379892      -1.01884117      -0.56297696
Cl       3.41510000       4.07114005      10.80390003       0.78686967       0.60716470      -0.29114327
Cl       7.57402996       0.70628404       3.53302005      -0.47448102       0.73340999       1.54499284
Cl       4.32700000       1.96622998       6.08692996       0.33527175       0.10733657       0.90897193
Cl       6.23947996       5.51589000       1.64428004       0.51830385       0.12968206      -0.71811159
K        3.79419996       8.22892003       8.60736000       0.45075294      -0.15946307      -0.01430168
K        4.70288001       4.26111004       8.14888998       0.34406442      -0.18918509      -0.22968235
K        0.84253499       8.70991001      10.45049998       0.51753679       0.18816418       0.25621819
K        9.29376005       2.29642999       5.56712005      -0.08146555       0.12924685       0.21158479
K        2.46814999       0.43763996       7.85908006      -0.64910354       0.10544497      -0.28793237
K        2.23004000       3.79652995       5.08409997      -1.10212530      -0.39284774       1.38212655
K        8.16441002       2.35791999       1.51103999      -1.27635136       0.01567242       0.13552716
K        8.57061998       9.30056997       7.20724004      -0.59224628       1.66600642       0.91751563
K        9.24375000       6.29442005       8.81013003       1.22769885      -0.19137426       0.10775491
Li       7.57396004       7.26028005       0.37276296       0.14252770      -0.05293925       0.04867247
Li       2.35042998       3.71595998       1.34666000       2.49889571      -0.74549372       0.81084515
Li       1.60461997      11.16940003       3.83810005      -1.33936823      -1.20237822      -0.75096184
Li       4.26646005       9.21389999       4.56619004      -1.24211419       1.27215676       0.64799812
Li       8.02660001       9.02565004       3.63888002      -0.96533746       1.59875382       0.43560963
Li      10.38350004       0.30585327       2.70815002       0.13931969      -0.63304558       1.59692200
Li       6.71287002      10.99849995      10.46489999      -0.91676842       1.33123336       0.08060397
Li       4.74931995       6.39613996       2.91732999      -0.06679126      -0.35741256       0.09059806
Li       5.02568997       9.70748001       1.77541002      -0.22959757       0.26401348       0.22576328
Li       9.86138996       1.91795004       9.83900996      -1.24737109      -0.41036421       0.80974951
Li       0.84795596       7.59946002       2.56195000      -0.30368308       0.35767416       0.50163083
Li       9.10560995       9.85282001       0.86205596       1.09167038      -0.27114627      -0.87688736
Li      10.54589997       4.99258997       0.98240199       0.72762645       0.68757823       0.42524020
Li       8.12395001       6.29609006       4.14067002      -0.19704197      -0.59143512       0.41797896
Li       5.26082005       5.48770005      11.28329997      -0.02725992      -0.02357551       0.12300254
Li       0.11645301       7.03474000       5.81194000       3.34140977      -1.31468126      -0.73614177
Li       0.62078402       3.98245996       9.78382002       0.49724413       0.32506071      -0.38696688
Li       3.56845005       1.93652003      11.40989998       0.14250461       0.03068375      -2.11478971
Li       0.21900804      10.08099999       6.09935995      -1.40520611       0.85628113      -2.38186315
Li       5.70967000       0.42742503       7.67163004       0.39195262       0.19314564      -0.38409860
Li       5.10489999       1.55165000       4.18558996       0.45723656      -0.51039344      -1.33344585
60
Lattice="11.69144674 0.0 0.0 0.0 11.69144674 0.0 0.0 0.0 11.69144674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-464.73203258 stress="-0.011694501783857263 -0.00013519561276074764 0.0006526242840055303 -0.00013519561276074764 -0.01579219792095471 -0.004136339435967384 0.0006526242840055303 -0.004136339435967384 -0.01915858145194575" free_energy=-464.73203258 pbc="T T T" config_type=melt 
Cl       1.51995004       8.29482004       8.34073995       0.58097905       0.23213465       0.96554212
Cl       1.76279998      10.63699995       4.23744994       0.45027957       0.15357082       0.07614351
Cl       0.08325327       1.94431998       4.14414004      -0.85918853      -0.28683416      -1.70586119
Cl       7.42051998       1.48751002       0.74546804      -0.16626289      -0.17508474       0.54760310
Cl       1.99829997       4.38877000       9.69154995       0.56915812      -0.06045105       0.16668978
Cl       9.56004000       4.59886998       2.45106995      -0.30540283       0.09212015      -0.45340359
Cl       7.89393004       5.48299004       7.24275001       0.05090157      -0.47277445      -0.11348234
Cl       8.98065001       8.47176003       5.42757001      -0.40888125      -0.04700751      -0.70766651
Cl       0.30909099       1.76993001       0.83033099      -0.27810039      -0.19311691       1.41586834
Cl       2.28970005      11.66546624       8.02149997       0.20667976       4.40326161       2.30674671
Cl       5.82187995      10.59559995       3.17284995      -1.86429951      -0.33989103      -0.05019892
Cl       6.10528003       1.25657998       8.98406999       0.14331090      -1.71410972       0.03509353
Cl       9.83196995      10.65929998       2.44633995       1.03410311      -0.26639716      -0.86960755
Cl       3.89824004       2.55934000       5.14342003      -0.05832610       0.01631864       0.42709004
Cl       4.51180997       9.61745997      10.72099996       0.39544703      -0.79908969      -2.46064358
Cl      11.28999999       3.22057000       7.06361997      -0.60755475       0.35921011       0.94272006
Cl       1.71257002       6.53197002       5.79579996      -0.24899404       0.14841376      -0.80179023
Cl       4.76249002       6.47407000       5.46976000       0.45786694       0.30018340      -0.60610077
Cl       2.55827000       8.23615002       2.18672003       0.39074751       1.48037361      -2.59550324
Cl       8.42779002       0.25374298       5.37590995      -1.88409824       1.26013740       0.15160317
Cl       1.22024004       5.22081998       2.70071005       1.77938441       1.00270167       0.83315420
Cl       8.72664000       4.08027002      10.44099998       1.72030028      -0.25553544      -3.98162842
Cl       4.63604995       6.05479005       9.82935996       0.49536775      -0.35121266      -0.20182871
Cl       3.40764004       0.32874302       0.14390406      -0.47562409       1.13455006       1.06750847
Cl       4.43193997       9.76011000       6.56415997       0.38456500       0.66990116       2.11590574
Cl       9.86444996       8.11893006       8.38628001       0.11130291      -0.86173941      -2.89093631
Cl      11.01599994       8.01451994      11.32169994       1.49122302      -0.42082335      -0.29733645
Cl      10.08610003      11.48899999       9.28539003      -0.12463379       0.51751401       0.01836902
Cl       5.32451996       4.89176994       1.10528997      -0.09146299      -0.50966358       0.86371242
Cl       7.78622001       8.12023003       0.95266795      -0.39718900       0.53429590      -0.34816023
K       11.18540001       5.34666005       8.85436006      -0.63571778       0.98386246       0.13067542
K        8.19676996       7.28137001       9.89812004      -2.23670364      -1.69325084       1.82791950
K       10.65520003      10.75189998       5.06963005       1.63173184      -0.65136042       0.73816230
K        9.05620002       3.45948997       5.07555996      -0.33776460      -0.63054909       0.34952130
K        0.58196398       1.97527004       9.97009002      -0.00581652      -0.66639571      -1.76979381
K        5.19072000       3.54149004       8.20675995      -0.08759178       1.81968543      -0.67981205
K        7.42333995       7.05926000       3.43599998      -0.33147597      -0.71079500       0.78940972
K        7.35497995       9.85357996       7.76637998       0.43141394       0.44574040      -0.50813178
K       10.84909998       6.20920998       5.23309998      -0.89122940      -0.12582472      -0.34226694
Li       4.00590002       3.40691003       3.17436002      -0.08566920       0.86738457      -0.51390460
Li       3.70844004       4.56146997      11.29827975      -0.10734697       0.15911347      -0.01482821
Li       4.29021005       0.91630206       6.47686999       0.05794276      -1.02623824       0.24435052
Li       4.64347998       9.29617001       4.66647004      -0.08592990      -0.51826632      -1.60034801
Li       1.35405999      11.52927679       1.89204004       0.42291373       0.09298234       0.39215172
Li       2.20735999      10.14329997       7.03094998      -0.15878492      -3.79500935      -2.50853475
Li       5.34762998       0.58875098       1.60418002       0.30338862      -0.00391671      -0.58209505
Li       4.41362999       7.92504998       9.09015000      -0.51357643       1.36763986      -0.51230849
Li       4.60078001       8.83480003       0.82431399       0.21732672      -0.76266320       2.18029334
Li       8.10990005       4.18721004       0.45871602      -1.56744746      -0.17836947       4.30657869
Li      11.10329998       9.42727006       8.92590996       1.89341710       1.74434817       1.08485278
Li       9.88477005       8.97541996       1.04447995      -0.61478924       0.10077318       0.36200911
Li      10.37259999       1.04884998       2.26800996      -0.09814323       0.92902653       0.13725791
Li       0.17793295       3.99441996       1.62042002      -1.44295792      -1.19157487      -0.58540535
Li       1.79824997       8.05474998      11.42952174      -0.49668355      -0.01416019       0.06990931
Li       0.82670395       2.00039999       6.00106996       1.23651880      -0.52769737       0.41203731
Li       7.78353998      10.75140006       2.81136994       0.73910791       0.41591464       0.16987627
Li       2.97487003       7.02666004       3.67947004      -0.08652053      -1.92182905       1.94718743
Li       4.04931001      11.57100005       9.68206000       0.17321601       0.33100455      -0.03937993
Li       8.75709002       1.92631001       9.47068005      -0.37245992      -0.43317873       0.13588067
Li       2.93090996       6.03690997       7.35423999       0.55803300       0.04264763       0.52913352
60
Lattice="11.69144674 0.0 0.0 0.0 11.69144674 0.0 0.0 0.0 11.69144674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-466.01385096 stress="-0.013605727219459376 0.008183577521842216 0.00044482731850383525 0.008183577521842216 -0.022945729623518922 0.0019526836238802768 0.00044482731850383525 0.0019526836238802768 -0.01637519697853277" free_energy=-466.01385096 pbc="T T T" config_type=melt 
Cl       0.77038204      10.80829999       3.02934995       0.55944098      -0.22240330       0.83652512
Cl      11.27349997       7.82418003       0.82280801       0.35046999       0.37844554      -0.16736706
Cl       5.15833996      11.13919997       3.63323001      -1.48160048       1.33362215      -0.72670921
Cl       4.50928006       4.80563005       5.81605995      -1.57872018      -1.07707603      -0.13864265
Cl       6.49654997       9.39842001       1.23395995      -0.06271152      -1.27412359      -0.49922140
Cl       5.16832001      11.08480002       7.42900002      -0.16242824      -0.46688198      -0.14710390
Cl       7.83400003       5.97369000      10.91839998       0.99927242       0.70189177       0.91273841
Cl      10.15660004       3.48969997       4.71262997       0.02973638       0.34879486      -0.25906022
Cl      10.48410003       8.27032997       5.76505005      -0.41936048      -0.59763664      -0.34486338
Cl       5.49174003       7.24812001       7.71436999       0.02833472       0.20288847      -0.56837760
Cl       2.98846005       1.20308997       5.30327005      -1.20565944       0.01315851      -0.68668792
Cl       1.95415003       2.24021997       1.72740997      -0.92954326       0.28409003       0.51786392
Cl       1.29551998       1.27738000       9.05113003      -1.54736460       1.00030974       0.10386908
Cl       4.11241004       1.50108998      11.45110006       2.28025874      -4.05256354       2.02525013
Cl       7.63611002       4.58213998       7.61865001       1.06595119       0.34671122       0.26447607
Cl       8.36213998       3.11908999       1.10725998      -0.27928780      -0.74951512      -1.38941312
Cl       4.94406006       2.58551995       8.58094996      -0.07441449      -0.21050169      -1.18456111
Cl       0.58878102       4.67975000      10.06389996      -0.33465506      -0.20072689       0.17951911
Cl       2.52881001      10.24269995       9.85757001       0.40371257      -1.25564645       0.26108053
Cl       6.47786002       2.11107006       4.75768004       1.14910929       1.35171481      -0.92513072
Cl       8.36525996       9.62890005       9.45981004      -1.20272912       1.50987577      -1.47550523
Cl       8.91035004      11.34189996       3.22165999      -2.20362200       0.24556163       1.73238291
Cl       2.35928005       8.63139996       5.94774995       0.40596890      -1.23220410       0.47831667
Cl       3.22428004       5.61001995       3.15459996      -0.45401521       1.09051351      -0.59374704
Cl      11.59320001       8.17365000       8.93369003      -0.49823103       1.06280141      -0.98805684
Cl      10.73590000      11.02569999      11.64000005      -0.55237432      -0.04313515       0.44341646
Cl       3.81356006       7.03381006      10.85799998      -0.28348906       0.01988338      -0.14437181
Cl       9.46034995      11.02130003       6.63045000       0.46013402       0.44685009      -1.04324278
Cl       9.32272000       1.67190003       9.94082001       0.68446263      -0.18792133      -0.23822892
Cl       7.77063999       6.49724000       3.15352995       0.93941508      -0.28297198       0.87742910
K        6.21461996       8.91617998       4.16382996       0.94772781      -1.79945574       0.68502392
K       10.36490000       5.14250004       0.73913396       0.09941602      -0.17790318      -0.16478016
K        3.28001001      10.28129996       1.00752001       0.66706099      -0.11871817      -0.18649367
K        5.81010000       6.37546995       1.24089006      -0.86869787      -0.06441106      -0.26850087
K        7.14264994       3.24837997      10.19590002      -0.64140659      -0.13263522      -0.02156709
K        0.62368502       7.72938006       3.65906004       0.39729989      -0.29578350      -1.05082620
K        7.51435003       0.10296002       0.69835806      -0.02586592       1.29585060      -0.64678391
K       11.02680004       3.30674999       7.83922003      -0.32388498      -0.21816891      -0.11387840
K        3.26315995       3.52191002      10.56720003      -1.68319911       3.39315797      -1.12936857
Li       8.49069994       8.87444000      11.19270003       0.01565096      -1.57300803       2.77177306
Li       0.13475328       1.18549996       0.00685329       0.56078805       0.85960303      -0.63887910
Li      10.40999999      11.11540004       2.17429003       2.72769754      -0.66435453      -1.85716384
Li       0.62098500       7.71887003       6.79338002      -0.34976950      -0.02289455       0.97622480
Li       2.80233000       3.53967997       3.48894002      -0.29820113      -0.14143628       0.40281820
Li       9.65549002       8.98801995       8.02239004       0.68178924      -0.18580397      -1.03059755
Li       0.72713398       9.85244004      11.00399996      -0.36432616      -0.82808675      -0.44555979
Li       9.28943994       6.65818001       4.80678002      -0.42662917      -0.60038756       0.04256421
Li       8.89837999       0.13113501       8.46290002      -0.46160252       0.05462231       0.79872465
Li       5.02974001       1.61976004       6.11264997      -0.85553787      -0.39806977       1.76417504
Li      11.63946937       0.14343698       5.10386998      -0.34399622       0.14252341      -0.01367964
Li       6.39992004       4.33824004       5.92245995       1.43217716      -0.76367726      -0.12907634
Li       6.67151001       5.98285001       9.26038997      -0.84927155       0.32057857      -1.60424346
Li       2.68731002      10.35209997       4.95678000       0.82580963       2.16901058      -0.70201704
Li       7.48491997       0.19878102       4.73695005      -0.16291395      -0.04554450       0.57598366
Li       8.49885999       3.46575004       2.99226001       0.11402184       0.27944013       2.81656237
Li       3.13506998       0.38624097       8.95278999       1.72154432       0.42075172      -0.36253620
Li       0.75135305       6.78294996      10.06770003       1.06316574      -0.63907337       1.40999117
Li       3.68826002       1.18780001       2.69480996       0.38435064      -0.29550294       0.18673490
Li       4.40632003       8.85459003       8.63935002      -0.19478187       0.71149417       0.49167028
Li       3.76623998       6.66894000       5.99344001       0.12552397       0.83407768       0.33112897
60
Lattice="11.69144674 0.0 0.0 0.0 11.69144674 0.0 0.0 0.0 11.69144674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-467.89720523 stress="-0.015159939543913736 0.0019668142569865665 9.522035087731073e-05 0.0019668142569865665 -0.0037675819454823494 -0.0019306275349689588 9.522035087731073e-05 -0.0019306275349689588 -0.015895988843778793" free_energy=-467.89720523 pbc="T T T" config_type=melt 
Cl       4.56664005       2.51305999       0.76532701      -0.03998365      -0.36455455      -0.37012994
Cl       4.36312002       6.76223996       4.62815003      -0.77798326      -0.64185820       1.51397387
Cl       7.92223000       7.89113005       5.79200000       1.94179589       0.89239266       1.99410479
Cl       8.12098997       1.39590005       0.90383196       0.53592843      -0.74363709       1.11005375
Cl       9.41563005       3.81368995       6.45912997      -0.85676990      -0.04710260       0.18058992
Cl       3.30701001       9.68654005      10.85780006      -0.45293002      -0.58350605       0.14639386
Cl       3.17199998       9.85877002       4.92747001       0.34968138       0.85910149       0.28429473
Cl       0.81286794       1.49620004       6.31868997       0.30198902       0.66295258      -0.38391128
Cl      10.31550001      10.44279999       4.19592005      -1.59901543       0.19657425      -0.26314785
Cl       6.11548000       4.22876998       9.46980003      -0.15087176       0.37669085      -1.87818315
Cl       6.93513998       9.48157998       9.38777004       2.13005445       1.13451064       1.25977703
Cl       2.30855999       0.42903003       9.12963996      -1.18236613       1.46102118       0.74455226
Cl      10.15679997       6.87520997       9.10211000      -0.53261274       0.34547788      -0.31713969
Cl       1.84135002       5.13443001       8.23902004       0.22635753      -0.67959744      -0.44179434
Cl       4.13676005       3.12263998       6.61839004      -0.87959445       0.05730533      -0.36762200
Cl      11.69013017       4.14893003       4.25884003       0.67208205       0.46926784      -0.99763694
Cl       4.10503998       7.05274003       1.67490006       0.64162305       0.40960162      -0.86094394
Cl       0.94160398       8.70565000       7.08960994      -0.03261533       0.02329756      -0.13576303
Cl       9.75504000      11.40390005       8.06394004       0.27463627      -0.36607924      -0.57601440
Cl       5.42916998       0.72248102       8.71777005       0.26934834      -0.36599371      -0.87590138
Cl       1.95342002       0.00295326       1.50600998      -0.04946944       0.24897762       0.40854299
Cl       7.21203997       5.50684994       3.57101994       0.59218018      -0.50659870      -0.59508516
Cl       4.97645998       8.40854999       7.80355995       0.02852228      -0.56255395       0.25215602
Cl       5.75328997       0.56742098       3.71259003       0.24498166       0.56379715       2.92881083
Cl       1.19841000       8.57760995       2.63853996      -0.47965806       0.18008547       1.13065509
Cl       7.55453003       7.43904998       0.58770097       0.08459863      -0.95294809      -0.89796704
Cl       9.59122003       3.51551994      10.36000000       1.71742082      -0.63282664       0.41631041
Cl       6.46015005      10.14149995       1.40646000      -0.50118317       0.98967405      -0.37201700
Cl      10.53470003       9.72511001       0.33690003       0.34860312      -1.06140281      -1.08973226
Cl       1.03055999       5.88347996       0.42099894      -0.13696050      -0.40849285      -0.01234859
K        7.37688001       3.89280001       0.00125321      -0.78698375       0.86912511       2.17031969
K        4.34692000       6.25757001      10.45759996      -0.77285312       0.35788611       0.32703034
K        8.86338001       2.48624005       3.90034005       0.40479338      -0.28719935      -0.46025790
K        8.02838004       0.64798300       9.87478006      -0.13154904       0.17244492       0.23509350
K        6.61176005       3.69793001       5.81017003       0.17762997       0.43302333      -0.01776750
K        9.86572000       6.59550006       1.95597004       0.76885656      -0.05509648       0.36406840
K        3.11415994       2.05460002       3.93410998      -0.37467393      -0.33497764      -0.30770169
K        0.61282203       2.76237004      11.26669999       0.25607971       0.12395162       0.34216542
K        6.55373996      10.54260005       6.08164005       0.10756753       0.12973837       0.21243447
Li       5.37462003       9.90524002      10.83999994       0.42111611       0.00250408       0.48309502
Li       5.69613002       0.63950004       1.78985001       0.18111475       0.28729108      -2.33024221
Li       9.53090000      11.15629999       1.26485998      -1.05974402       1.19124924       1.32291113
Li       8.90771000       3.81886996       8.50723995      -0.63684323       0.61471345      -0.43064415
Li       2.94999005       4.98892002       5.83801999       0.26199652       0.33869051       0.17470077
Li       3.33012996       8.17823001       6.73957995      -1.60788517      -0.18960621      -1.74980198
Li       0.15635322       0.28045197       7.95533995       0.06959932      -0.41464197       0.14340954
Li       2.08415003       6.70992998       2.34830997      -0.04431444      -0.82707184      -0.32738036
Li       0.72036604       7.01142000       8.44322998      -0.64076061       0.16992478       0.58341728
Li      11.50970180       3.97505004       6.36922006       0.80477672      -0.44820770       0.34468940
Li       1.02346995       9.57586998       0.81843202       0.49433560       0.64065178      -0.86261304
Li       6.93134996       7.46606997       8.90915003       0.17152992      -0.80105310      -0.63328363
Li       3.52317995      10.98379995       7.84029997       0.58781334      -0.55328014      -0.31740260
Li       3.50850005       9.67481002       2.48853005      -0.52104462      -0.02290664       0.00113426
Li       8.89575000       8.63265994      10.87450000       0.04828314      -0.07458279      -0.49627583
Li       6.54504001       7.38640995       4.63040005      -2.20659514      -1.47920115      -1.49478143
Li       9.95464000       8.13964005       6.48432995       0.76523773       0.39445150       0.50794316
Li       5.99017996       8.16274001       1.99602996      -0.06727639      -0.83809974      -0.22801104
Li       2.70830002       2.68466003       8.23675003      -0.33172715      -0.19339743      -0.39737064
Li       0.63934302      10.48609997       4.39333995       1.51608233      -0.26470451       0.03579840
Li       4.29098005       1.23222997      10.42060004      -0.54235128       0.10480456       0.87044565
60
Lattice="11.69144674 0.0 0.0 0.0 11.69144674 0.0 0.0 0.0 11.69144674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-465.92914422 stress="-0.022692222660099872 0.003389520930150874 0.0009081982480017974 0.003389520930150874 -0.016113709839998186 -0.005643708697662205 0.0009081982480017974 -0.005643708697662205 -0.022381599278420827" free_energy=-465.92914422 pbc="T T T" config_type=melt 
Cl       8.30710004       0.88015701       7.01774005      -0.07070625       0.09010073       0.43358575
Cl      10.22819998       7.10539001       7.41709006       2.06270871      -2.88720942       0.97963394
Cl       6.41218004       4.37433001       8.50676002      -0.11877832       0.88808002       0.15252955
Cl       9.68213003       5.85412999      11.19390004      -0.36068201      -0.28204477       0.39837838
Cl       8.03775997       9.24114994       9.87938999       2.36072341      -0.08988650       0.06918625
Cl       6.21482001      10.36409996       5.22969999      -0.00592366       0.19255653       1.80562705
Cl       5.82681000       4.11166997       2.29930001       1.34499384       0.18848446      -0.32482973
Cl       2.02775996       8.68430001       5.97787004       1.48244539       0.08228039      -1.93759678
Cl       8.01543994       0.90229196       0.27517901       0.22348676      -2.12131710      -2.99475320
Cl       3.60831005       9.40129003       2.73047004       1.17729901      -0.07541192       2.10153479
Cl       0.51043500       2.69157003       6.00237999      -0.19927139       0.11040945       0.34943500
Cl       4.31676004       7.32868997       9.12621004       0.17102542       1.15243448       1.08816793
Cl      11.18149997       3.75241999       2.09050995      -0.09952708       0.19728260      -0.28717768
Cl       2.35669999      10.84539999       7.90537000       0.25487357       1.10934673       1.01922927
Cl       1.96237005       5.63618996       7.16562001      -0.85595035       1.10641987       1.82650090
Cl       7.75368003       3.49761999       4.94938995       0.92022712       0.58335459      -0.73835502
Cl      10.96349997       9.95052999       8.35877003       0.42063678       0.86680239      -2.00754969
Cl       3.33757998       1.76332995       3.21155998       0.23917854       0.58622221      -0.55108245
Cl       2.95067996       3.91031005       0.08637430       0.51941583      -0.45434270      -0.90967673
Cl       1.41537999       7.88796003      10.93399999       1.28701111      -0.00860153       0.25061030
Cl       7.41133997       9.31064004       1.62639002      -0.91499323       1.56217020       0.47522095
Cl      11.45229995       0.26470406      10.95149999       0.61446667       1.61819126      -1.03457182
Cl       5.00407003       1.80851997       7.38061999      -1.09892076      -0.37121863      -0.62124150
Cl       9.31089001       0.36305005       3.81218000       0.07693972      -0.45281452      -0.62489923
Cl       4.01953997      10.07970002      10.91310001       0.68935390       0.83798630       0.56461384
Cl       2.26824998       5.71838002       2.85225002       1.46636320      -0.02721240       0.56628715
Cl       9.11273998       6.99964005       3.96613005      -0.76817397       0.74174387      -0.20274182
Cl       5.89428005       6.96423005       5.34387994      -1.04033261       0.00321760       0.79198405
Cl       0.46094406       4.10543001       9.78449005       0.26451399       0.85955330      -0.65708368
Cl      11.20800004       9.75466003       1.11337998      -0.43675658      -0.49603412       2.08960421
K        6.71520995       7.14682005       0.45751905      -0.42673257      -1.86880818      -0.80095547
K        3.47272001       4.32178000       5.67022996       1.22200028      -1.51714935      -1.94893317
K        8.35926002       8.49517999       6.70666000      -2.36086742       1.84049699      -0.79143178
K        2.83950003       0.26876906       5.39210003       0.36435164      -0.51475716       0.48671666
K        5.08610997       2.13672004      10.27320001       0.61288365       0.05335342       0.41297401
K       10.63000005       8.53567004      10.42819995      -1.26747008      -1.40659283       0.97783842
K       11.68686626       6.63232005       3.89892995       0.90921068       0.32245030       0.21516154
K        2.05691001       2.16323998       8.97342996       0.50675002      -0.78796012      -0.54993014
K        0.42537996       1.34444003       3.51522006      -0.32627777      -0.31217249      -0.85158191
Li       6.86279997       3.01107003       6.77248997      -0.13315667      -0.49932790       1.08737982
Li       1.42715000       5.07262002       1.04800995      -0.82016165      -0.14451739      -0.20143744
Li       4.22307005       8.49452994       5.04624997      -0.30078296       0.05231321      -0.15945095
Li       3.14593005       9.26524999       9.16624004       0.01946899      -0.76313668      -0.30712075
Li       7.41617006       0.62469797       4.88205996       0.20076214       0.21550672       0.52261001
Li       4.68262996       5.92774998       7.77024996       0.68793643      -1.03065441      -0.88230931
Li      10.17299999       0.18173500       7.84237999      -0.09769817       0.44857945      -0.00474686
Li       7.40596997       5.82262996       4.43905000      -0.14442783      -1.11978284      -0.42190148
Li       3.75335998       3.89719003       2.19002999      -0.68049101      -0.24532028       0.10197948
Li      10.66329998       5.54191002       9.32027005      -0.66819339       0.45979092      -0.86004631
Li       6.20488999       9.38067006       9.74227996      -3.85188962       0.38504603      -0.10538724
Li      10.92399995       3.49722996      11.28650004      -1.06207233      -0.30852881       1.56384982
Li       2.62890002       9.54385997       1.03581004      -1.07246007      -0.05270799      -1.78026094
Li       1.02580999      10.65860002       9.62969998      -0.30561614       0.08437964       0.28050419
Li       9.12984000       9.39656002       2.68564995       1.39576372       0.23710162       0.63110157
Li       9.57526998      11.02710004      11.68550000      -0.20300143      -0.07067020       0.27578563
Li       1.85310004       6.22963997       9.67783997       0.65776421      -0.70803427      -0.70191020
Li      10.28790002       3.92314001       5.19361995      -0.34431947      -0.58324335       0.01477259
Li       5.74250999      10.20900005       3.34959996      -0.35738464      -0.41011415      -2.62120436
Li       0.38172305       8.15525994       6.89942003      -1.04080058      -0.21459865       1.11068691
Li       7.70038001       2.12166005       1.58285996      -0.71873473       2.94851541       3.23667768
60
Lattice="11.69144674 0.0 0.0 0.0 11.69144674 0.0 0.0 0.0 11.69144674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-464.86752418 stress="-0.013071657698726546 0.0007944029475130387 0.0007780126883748871 0.0007944029475130387 -0.020307494197333877 -0.002085267333592589 0.0007780126883748871 -0.002085267333592589 -0.015456654983290592" free_energy=-464.86752418 pbc="T T T" config_type=melt 
Cl       9.76270000       0.71338998       6.66291002       0.23363199       0.54146088       0.52710535
Cl       0.52189005       5.62983999       8.67189995      -0.48304585      -0.09923382       0.15323050
Cl       2.58879005       9.61871995       6.99144002      -1.12583026      -0.22047817      -0.95356449
Cl       6.99713001       2.77123999       3.55144998      -0.11617057       1.83204872      -3.61464904
Cl       8.53436001       9.71510003       1.67393996       0.13020424       0.57922245      -0.43054816
Cl       0.80268306       8.96409001       0.01350093      -0.49260777      -0.30064557       0.14627076
Cl       3.75502005       9.15702998       9.75714002      -1.67736386      -0.83246530      -0.23439164
Cl      11.66689996      10.76199999       9.04127998      -1.74161822       3.40693725       1.18199532
Cl       5.33731999       0.73785597       5.35718002      -1.34638316      -1.56182495       0.57127852
Cl       2.86451996       7.01352002       2.53466999      -1.39370176       0.58841420      -0.56086020
Cl       7.83252995       2.95358003       7.91128003      -0.56854873       0.61050367      -0.66955363
Cl       1.96988999       3.00574001      11.12819995      -0.33289680       0.12897401      -0.29438166
Cl       0.27837498       9.69298005       3.27289998      -0.84284163       0.17986334       0.37449588
Cl       6.46316001       1.21658003      11.10079999       0.00832958      -0.08029594       0.22366878
Cl       5.20187996       6.01392997       5.52556000       0.03655519       0.64002001       0.48696891
Cl      10.66669997       5.97402998       3.35293003       1.15798212       1.18664675       1.49805966
Cl       2.85319995       0.11389901       1.46496996      -1.30702814       1.16254210      -1.33182898
Cl       5.03920996       6.49592997      11.48850474      -0.23222001       1.25668487       0.39269785
Cl       9.80344002       2.02202005      11.41209996       0.24124404      -0.56233171      -0.66711181
Cl       7.72394003       6.33197999       8.25883003       0.53490827       0.97791200       0.01095890
Cl       7.51993001       9.08100997       5.29332999       0.03208449      -0.26226162      -0.15493714
Cl       2.82655000       0.79609902       8.60647005       1.76993665       0.59296756       0.95695515
Cl      10.08969995       5.20454000       0.20205322      -1.03534479       1.78751387      -1.37158464
Cl      11.25550005       7.77689000       6.14599000      -1.10217764       0.81830635       0.49356183
Cl       1.38708002       2.49223998       5.46880995       0.02831235       0.24375239       0.06125146
Cl       7.18715998      10.04290002       8.90158999       0.31420214      -0.07070881      -0.22389664
Cl       7.37902995       6.39121003       2.75330999       1.40905596      -0.63123489      -0.74894816
Cl       5.12468999       3.83255994       9.76673004      -0.42811033      -0.95186653      -0.03359000
Cl      10.06860004       2.62706002       3.05285000       0.99647397       0.11865958       0.17444066
Cl       4.17593002       9.79814005       2.84281000       2.06752096      -2.23031549       0.93752772
K        9.09919999       5.31277006       5.67611006      -0.64066935       0.07506495       0.54651014
K        8.81340001       7.65776994      10.99010000      -0.27563572       0.22025666      -0.37359725
K        9.30208997      11.62688318       4.10864001      -0.07001701      -0.22319579      -0.71044133
K        4.80150999       5.31446999       2.80888002       0.06272571      -1.71060491      -0.31765763
K        4.26519001       3.39228999       6.32769005      -0.46768069      -0.45032509       0.30724549
K        6.70493995       4.52481004       0.52462900       1.11093560      -1.21841583       0.16376772
K        2.97970994       5.25380004      10.00469997      -1.09669705       1.23571021      -0.28962622
K        5.47512006      10.14119995      11.32219999       1.13534666       0.39642314       1.40216597
K        2.21036996       7.17502999       5.47007999       0.22278984      -0.09260909      -0.19363970
Li       0.52247801       9.15464002       8.36865995       1.89420773      -4.06310592      -1.83779980
Li      11.07710003       4.14884000      10.51660003       1.20544477      -0.88729941      -1.45719755
Li      10.10270002       8.17793995       3.99154000       0.24530911      -0.03443136       0.30968467
Li       6.82700006       2.03718000       5.20390001       1.05399185      -0.64876637       3.48262215
Li       2.25651002       9.52192997       2.19198995      -1.02248705       0.01617682      -0.14656956
Li       8.70966998       1.39727005       9.08427996       0.21015447      -0.42620852       0.24405138
Li       1.12381997       2.15848998       1.06807995      -0.22825248      -0.95459160       0.96454062
Li      10.02549999      10.41409995       7.24744997      -0.33016342      -0.84055948       0.28609785
Li       8.30763001       0.48210897       0.35684201       0.18302693      -0.06642969       0.17527572
Li       1.30176005       0.45051797       7.30786003      -0.85111400      -0.09477555      -1.01883353
Li       1.64455000      10.81900000      10.79729998       0.71346439       0.45687426      -0.25932362
Li      11.46350001       3.86330997       4.57006997       0.29317890      -0.50998161      -0.37840981
Li       6.42069001       7.77540998       7.10638004       0.32593890       0.27324538      -0.17744427
Li      10.79290002       9.72289998       1.37382999       0.27962797      -0.02897838       0.13091744
Li      10.19030005       4.62271994       2.02339005      -0.52907218      -1.94937433       0.96706937
Li       2.75871003       7.91838001      11.67239670       0.85378731      -0.31146490       0.01054436
Li       6.02821996       7.62779003       3.54662001      -0.76764445       1.78924726       1.12552823
Li       6.65333005       4.70066004       8.90551996       1.23881436      -0.12685855      -0.86651755
Li       4.71703005       1.76822995       9.73025998      -0.48541510      -0.81570628       0.07173413
Li       4.45358995      10.50879996       7.29890999       0.59737957       0.69955143       0.40267555
Li       5.25035994      11.41650004       3.24993002       0.40417200       1.44236537       0.53600597
60
Lattice="11.69144674 0.0 0.0 0.0 11.69144674 0.0 0.0 0.0 11.69144674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-464.56119474 stress="-0.015626935722915777 0.0015835677459412345 0.00338804076250318 0.0015835677459412345 -0.017798205428663314 -0.006946474093750551 0.00338804076250318 -0.006946474093750551 -0.0327207938496964" free_energy=-464.56119474 pbc="T T T" config_type=melt 
Cl       0.06215325       3.86030001       1.15143003       0.93638708       0.09330450      -0.75025540
Cl       2.45802999       0.25048703       0.01595321       0.33070579       0.05393532      -0.27290545
Cl      10.92179997       2.78667001       4.90454004       1.11293733      -0.45562394       1.30510135
Cl       1.82464995       9.58619002       8.62531000      -0.46572155       0.01033642       0.33795277
Cl       7.53686004       5.50492004       1.36566994       0.89738547      -1.43994565      -2.11532074
Cl       4.00042995       4.57815998      11.29279997      -0.27171332      -0.34147314       0.35265793
Cl      10.98090000       9.23665996       0.76511598       1.64901968      -0.09829245       1.34102497
Cl       4.85757995       4.70892998       4.46387995      -0.57488419      -0.37827387      -1.08086181
Cl       2.03406995       7.48044998       2.29789996       1.30877190      -0.83221577       0.09335183
Cl       2.40904996       0.70603805       3.70767998       3.78750515      -0.14610438      -5.15146686
Cl       7.05237000       2.61194005       6.70254998       2.60033487      -0.20175439      -1.97127277
Cl       6.80010003       6.96273997       8.50931997      -0.82469767      -0.29524320      -1.98983910
Cl       1.32493998       3.98200995       8.86358005      -0.91348515       0.83611256       0.60192951
Cl       7.37729997       2.25495996      10.85880002      -0.01109385       0.03047563      -0.30987226
Cl       2.12395005       1.43777998       6.81140004       0.18684861      -0.16948530       0.70444405
Cl       4.44840000       0.28756002       8.90493001       0.39606943       0.42468063       0.38332220
Cl       5.45351999      11.01599994       4.72665001       0.77140481      -1.20331705       0.32447441
Cl       1.53005999       5.69168002       5.19836995      -1.52774388      -1.01924529       0.64211773
Cl       4.73275002       4.39370005       8.08467997      -2.20331508       1.61953151       0.50011720
Cl       8.63941000       9.55018002       7.24355999       2.36111636       2.93149545       1.04224975
Cl       3.66355003       7.82863003      10.84710004      -0.42030759       1.64993063       0.73036872
Cl       8.88330001       1.07471999       2.55935005      -0.11401493      -0.38822806       0.12141406
Cl       6.76542004       9.73384995      11.67320002       0.48824516       1.12173714       0.42642494
Cl      10.42800003       0.37385903      10.57430001      -0.56097675      -0.07377387      -0.63153409
Cl      11.07090006      10.41140004       4.64843002       1.30511003      -0.08432044       0.12138128
Cl       2.78094003       8.60101003       5.58693004       0.24051403       1.88213733       1.57029059
Cl       9.40138999       6.34457998       4.02644996       0.26025319       1.87720830      -0.81091584
Cl      10.26370001       7.02719001      10.01780000       0.78086742       0.50573981      -0.10726184
Cl       9.49404003       5.64677996       6.92287997      -0.99041762       0.99281772       2.74611133
Cl       6.09572006       7.61084995       4.50891002       0.10792994       0.31556059       0.20917832
K        6.77227999       7.12803996      11.03170004       0.20696389      -0.17063749       1.01596887
K        8.74990002       9.29812002       3.69932995      -0.97393466       0.08810927      -0.26992093
K        8.97588002       3.66616996       8.79821001       0.28815908       0.01024896       0.41212424
K        9.68594998       3.94625997       2.94367994      -1.39354610      -0.60679146      -1.38907065
K       11.65080002       0.79977306       1.28105006       0.11391351      -0.12048349       1.18746851
K        2.40778003       3.47807002       3.14914999      -0.38815691       0.44042313      -0.13888485
K        4.85116999       1.78448995       5.16417995      -0.52693167       0.86440875      -0.02919614
K        3.63255004       9.57316996       3.12528003       0.87821042       1.11446441      -0.57407813
K        9.20488997       0.60998300       6.26286998       0.07172227      -0.13395393      -0.19201778
Li       1.99600997       0.58350199       9.37386996       0.09924399      -0.33950934      -0.30504342
Li       7.62141995       8.18656999       6.59719006      -2.34738942      -3.24861223      -1.01585183
Li       3.15153995       6.85481003       4.76668000       1.51547955      -1.27835468      -0.99804012
Li       9.29624998       9.45296996      11.44320003      -1.82343059       0.32511687      -1.46108237
Li       2.13819000       3.61327996       7.13043998       0.74296325       0.00055681      -1.72686817
Li      10.62630006       5.33159995       5.46919004       2.12656379      -1.14690231      -1.95640016
Li       1.26699998       0.64734103       5.00441996      -4.62910684      -0.39096252       4.20425509
Li       5.42486005       2.95240001      11.15609995      -0.18336654      -0.17452219       0.21371082
Li       6.81861998       6.10444000       2.99106000      -0.91307609       0.75699628       2.90344735
Li       8.50283999       0.75952806       0.44687398      -0.09641492      -0.09189634      -0.49002436
Li       0.47077703       8.59254998      10.43249995      -0.10078610       0.15514930      -0.07448654
Li       0.94108804       3.57842998      10.76689999      -0.30486485      -0.10555777       1.61912134
Li       3.45912999       6.32876999       0.70989903      -0.37129037       0.33441339       0.56000463
Li      11.42009995       7.31516005       7.87867995      -0.79598332      -0.26570745       0.27302691
Li       0.82436099       8.55214002       4.82150996      -0.76174353       0.23478937      -0.10203207
Li       5.49086002       5.37704004       6.34619001       1.02790415       0.78722501       0.27001567
Li       0.07295322       7.54156000       1.99495002      -1.90711932      -0.32077568      -0.36307315
Li       4.04675005      10.58740004      10.77559995       0.30937292      -0.18402441      -0.08934224
Li       5.77945005       2.79369996       8.04235997      -0.79609107      -2.01608917       2.32782180
Li       3.97483000      10.43679994       7.44702004      -0.30330983      -0.39671829      -0.68269468
Li       4.30058002       6.31386000       9.69317003       0.59301062      -1.33810953      -1.49126442
60
Lattice="11.69144674 0.0 0.0 0.0 11.69144674 0.0 0.0 0.0 11.69144674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-465.84985113 stress="-0.022287806572891918 -0.0006632163621695011 -0.004216011700774407 -0.0006632163621695011 -0.017253050931549333 -0.0029001552823058148 -0.004216011700774407 -0.0029001552823058148 -0.016578084535235283" free_energy=-465.84985113 pbc="T T T" config_type=melt 
Cl       3.07864004       6.81446998       8.80063996       0.48495725       0.59549494      -0.88401451
Cl       3.70039995      10.48799995       2.55714996      -1.36912476       1.01145454      -1.87991097
Cl       4.84324997       0.83910905      11.37959996       0.78843869      -0.30788886      -0.84045520
Cl       1.52219994       0.76740400       0.32927101      -1.22138081      -0.29756288      -0.02694983
Cl       6.88215001       5.00766001      10.69020001      -0.25720404       0.10485512      -1.11270021
Cl       5.44362996       5.12709994       5.98668001       0.11651171      -0.02665947      -0.12203036
Cl       0.50590901       8.84849995      10.51549998       0.83450940       0.52291725      -0.32162252
Cl       0.41403201       5.57696998       6.84999000       0.94471708       0.65829306      -0.24344460
Cl       6.42683001       1.25836000       2.68107006      -2.46400961       0.33560682       0.60938143
Cl       3.48227005       8.70615004       5.20262996      -1.01677257      -2.16504809      -1.64237493
Cl       8.94542006       2.67751001       5.05270996      -0.16376810      -0.20175018      -0.39462970
Cl       3.18805000       2.64031999       4.42772006      -1.38782687       0.45471381      -0.64209196
Cl       5.23617004      10.20290004       8.16570005      -1.58844150      -1.18181267       0.26777927
Cl       7.29947995       9.71488000       3.74188003       1.40888450      -0.13932010       0.30350515
Cl       8.84871998       4.05299995       7.94344998       0.43246519       0.44450949       0.13918984
Cl       8.58212998      11.38329995       0.53896704       2.74361363       0.24434526       0.53849602
Cl       0.95894205       2.47261004       7.24857001      -0.74979917      -0.08842119      -0.10689019
Cl       3.31450995       3.82736006      10.33230004      -0.13370956       0.55839501       0.36751402
Cl       9.86624998       7.75516005       0.92975295       0.79981668      -0.36262448       1.14830253
Cl       6.05821997       6.83245996       2.56694996      -0.88907304       1.38059212       0.37209686
Cl      11.62690002       4.46486004      10.45310004      -0.19787745       1.34133248      -0.38149749
Cl       2.70445003       6.31151996       2.13980997      -1.77934193       0.40515687       1.51037108
Cl       9.36261998       3.03675999       0.86693901       0.67790317       0.10131848      -0.22498647
Cl       8.62987001       7.09833995       5.94297996      -0.53738620      -1.32498589       0.02930093
Cl       5.88294005       0.46009105       5.62610001       0.74284546      -1.27276955       1.97802171
Cl       1.74353002      10.80749994       7.18325995       0.22495252      -0.67463306       0.41417022
Cl      10.76819996      11.24469996       4.92794995      -1.34406331      -0.41500650       0.25762706
Cl       6.54708999       9.42910000      11.34559995      -1.46334701      -7.47643015      -2.65093147
Cl       8.81813995       0.18370104       8.79109998       0.49021816      -0.07066606      -0.24146048
Cl       9.53315002       7.39800003       9.67128002      -1.97388676       0.24118963      -2.67621881
K       11.32150002       1.73799003       9.97388997      -0.42466315      -0.29375280       0.06350262
K        7.21199998       4.75503006       1.55399998       0.69811468      -1.33092583       0.82650855
K        6.60281996       2.29723004       7.91320000      -0.02704577       0.28040318      -0.01774755
K        6.64396999       6.85800998       8.49542995      -0.12969424       0.00601441      -0.24706964
K        3.42798000       8.93288998      10.29000003       0.57432103       1.52597246       0.88363370
K        3.07692000       1.54359997       8.68409003       0.71276236      -0.90626774       0.38099070
K        1.60055006      11.18870003       3.90660994      -0.39984376       0.85330332       1.34749040
K        0.59768301       9.16476002       1.70136002       0.18939115      -0.09728968       0.24711882
K        1.06636002       3.65668002       1.21361005       0.09524341       0.05637184       0.44124867
Li       4.89951003       1.61028997       4.42478995       0.47797666       0.47815837      -1.30734703
Li       1.44318996       8.36367004       7.59071996       0.26187839      -0.03874506      -0.11499260
Li      10.24909996       9.94534004      10.48979996      -0.84922489      -0.14818879      -0.00618308
Li       7.80858996       4.72882006       5.22468003      -0.08820158      -0.06741417       0.51221825
Li       1.92291995       5.12504003       8.80273998      -0.92111887      -1.17998267       0.37801456
Li      11.00540001       6.98222997      10.86730006       1.45140867      -0.93620274       1.00051847
Li       4.37123996       6.76516002       4.48516995       0.41959836      -0.34268474      -0.27461941
Li       8.02776998       1.52658996       1.70919002       2.28529528       0.60570016      -1.86152147
Li       2.12848002       3.89811997       5.86766997      -0.48935695       0.26538749       0.21183512
Li       5.38872997       9.67764999       2.90940004       1.59711852      -1.40619964       0.37582741
Li       6.68974002      11.03940002       0.15637205      -1.31835072       6.75202586       1.90569315
Li      10.51089998       1.41729996       6.86031998      -0.26949650       0.08951742      -0.82797199
Li       4.14412005       9.93742002       6.48156995       0.08964136       2.00795170       0.66124105
Li       8.00752998       0.22923501       3.79625999       0.26213609      -0.22565463       1.11003461
Li       7.95197000       8.47542004       1.14655002      -1.01405390       0.33012287       0.55924079
Li       9.08941004       8.98789999       5.50462997       0.18753223       1.94285102      -0.85352776
Li       6.81229000      10.90850001       8.91259001       2.33595765       0.69555224       1.36791498
Li       3.36547998       0.81940603       1.25259997       1.01861018      -0.26059061       0.39480956
Li      10.06239995       6.11118001       7.25660005      -0.26093922      -0.42530051       0.73438359
Li       9.23821001       4.62400004      10.11210006      -0.29486527       0.11479432       0.27819614
Li       3.90703002       6.01585005       0.66245327       1.67704803      -0.73952276      -1.71298704
60
Lattice="11.69144674 0.0 0.0 0.0 11.69144674 0.0 0.0 0.0 11.69144674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-462.79562365 stress="-0.02336780959349273 0.0031223869609969036 0.00668429968392159 0.0031223869609969036 -0.02139224547096824 -0.0030458255329948204 0.00668429968392159 -0.0030458255329948204 -0.042665497194602435" free_energy=-462.79562365 pbc="T T T" config_type=melt 
Cl      11.39540002       6.64712002       9.38841996      -1.54161513      -0.22173400      -2.35987602
Cl       4.49340003       9.79287995      10.10099996      -0.99944597      -0.03700692      -0.41327535
Cl       9.88044000       4.23299001      11.04719997       1.01828906       0.19061322       0.99911298
Cl       6.48051000      11.61280001       0.23763403       1.75279549      -0.62249251      -2.46071109
Cl       7.56362001       5.65965002       3.30419003       0.58042773       0.81073215      -3.17828548
Cl       7.71893001       2.43807000       9.35540005       1.71645760      -0.99004942      -1.09992693
Cl       3.51032006       4.62286001       2.25433997      -0.30030801       1.73015857       2.63608886
Cl       6.10019998       3.72008004       5.02290998      -0.69045890      -0.89804093       0.06416340
Cl       5.25337996       9.13945996       2.56151999       0.83783856      -0.86184748      -0.29310352
Cl       3.46709000       0.01946965       1.94407002      -0.13262558       0.53145089      -0.07828945
Cl       9.01437995      11.53060002       4.59561999       4.28425196       2.64929016      -3.61591078
Cl       4.25640003       6.88329005       7.23097006      -2.18831345       0.67113194      -2.67497710
Cl       0.26909899       2.02951999       9.17375004      -0.44674407      -0.46952607       0.42310525
Cl       6.49746997       3.36987994       1.18478000       0.81287229      -1.31620836      -2.47569417
Cl       2.75160000       0.07725895       5.19535005      -0.09846978      -0.23075357       0.26226053
Cl       8.17248004       7.90659000       5.63483001       0.03046983      -0.05259215      -2.88701242
Cl       9.80550005       2.92502004       2.40196997       1.50621616       0.59506142      -5.64376123
Cl       4.25469997       2.41043995      11.09719996      -1.06999546      -1.94021402      -2.89192853
Cl       4.50857003       2.49666005       7.48932998      -0.13056003       1.14917258       1.53315301
Cl       9.23244999       3.71220001       6.32488995      -1.53435545       0.15196423      -0.18470191
Cl       1.58377002       5.09761002      10.91130000       1.48979477      -0.28630975       0.93583090
Cl       7.34053996       5.16349998       8.05337997      -1.22334112       1.01272093      -0.02726890
Cl       1.59248004       8.57444005       2.90914996      -1.21790315      -0.57795902      -0.49270826
Cl       8.98887003       9.81082001       8.06631995       0.78213391       1.65474772       0.82289383
Cl       0.88934100       8.65679998       7.54792003      -0.00106601       2.40914260      -0.24395998
Cl      11.40220000       9.58305999      11.37230006      -0.11424064      -0.64687816       0.19370729
Cl       6.17849000      11.39750004       6.35937995      -1.88484158       1.18185666       0.97555263
Cl       0.35523900       6.57549003       5.14119001      -0.82286373      -0.48139861       0.14166043
Cl       0.07223525       2.82696996       5.70011996       2.24252392      -1.89333081      -1.12541333
Cl       6.91495996       7.79044004       9.46886004      -0.05737573      -0.35689265       0.58586618
K       10.26049994       0.47650303      11.66504453      -0.39391218       0.57653539      -0.14416064
K        4.74629000       6.70228003       0.46905897       0.22306161       0.44820577       0.02678216
K        2.71513998       0.80769401       8.70317995       0.21335790      -0.60044073       0.25794692
K        1.16350998       1.72284995       2.84806004       0.17699188       0.12174939       0.54591655
K       11.36579996       9.54496996       5.14596000      -0.03609666       0.24021508       0.05942785
K        3.01432001       6.40148003       4.46745005       0.67279567      -0.18981898       0.07194359
K        4.16525000       9.52868997       6.84385000      -0.41557396       0.82444214       0.04830279
K        9.91395997       0.75286697       7.59672002      -0.07239310       0.88224708      -0.43361104
K       10.48410003       7.36049001       2.69591001      -0.45977522      -0.17896941       0.16259052
Li       6.22689996       2.43219002      10.62550001      -0.27453980      -0.31837137       1.06705855
Li       3.69346002       3.48141003       0.80151906      -0.76866688      -0.23105389      -0.35994733
Li       6.03910002       0.49586302       1.99486000      -1.01389313       0.72415124       2.28826479
Li       6.69026005       3.14796003       7.23424004       0.20969329      -0.01075024       0.03092893
Li       9.13581994       4.64126000       9.21104996      -0.93346219       0.04066043      -1.32515790
Li      10.62600005       8.81634006       9.37012998       0.35882286       0.07291382      -0.19988840
Li       7.68470002       5.57107001       5.25408005       0.07726880      -0.26077043       2.29016954
Li      11.68379399       6.65532998      11.34390001       0.51980281      -0.02048553       1.15995063
Li       7.83205001      10.80219998       5.64974000      -1.76948026      -3.58132583       2.38226344
Li       6.65848001       9.93428999       9.53627000       0.10924934       0.42409038       0.14972029
Li       4.96181995       5.99415997       8.66472000       2.50733805      -1.89001450       2.53496616
Li      11.08769996       4.72522996       5.88529997      -0.15934142       0.86406398      -0.00624479
Li       9.54879996       2.58660001       4.08201006      -0.86526009      -1.20631772       6.66147479
Li       8.53040000       3.98258997       0.96725303      -0.09791879       0.29056652       0.49412759
Li       8.27056999       8.02793003       7.52267995      -0.73189387      -1.50984718       2.30499960
Li       4.62731994      10.37920004       0.55781798      -0.10244053      -0.03831441       0.12400043
Li       4.59263002       1.59992994       5.70103003       0.09697232      -0.77151333      -1.22854727
Li       3.31853999       9.52519002       3.24599994       0.48859045       1.78613123       0.14234052
Li       1.86501000       7.00462996       8.06578998       0.52566958      -1.17069758       0.42468662
Li       0.11697503       4.11053005       9.55703003       0.08880917       0.43254141       0.38709148
Li       5.88768000       4.02873997       2.84093001      -0.77332316       1.39536863       2.65601281
60
Lattice="11.69144674 0.0 0.0 0.0 11.69144674 0.0 0.0 0.0 11.69144674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-463.88430499 stress="-0.01004210786821138 0.006976893848581117 -0.0006684593796314619 0.006976893848581117 -0.014599634026815531 -0.007163216602342773 -0.0006684593796314619 -0.007163216602342773 -0.023041095557596595" free_energy=-463.88430499 pbc="T T T" config_type=melt 
Cl       6.63244000       0.31851698       0.31619600      -0.08021780      -0.35166677      -0.56293516
Cl       9.68870998       0.48935205       1.55315001       0.22398070       0.00884647       0.50724389
Cl       7.82538998       8.80014004       1.81153998       0.65554625      -0.45996667       0.23806235
Cl      10.29539996       4.08053003       7.70841004       0.12457293       0.10154029       0.51304789
Cl      10.09519995      11.36690001       7.09185002       0.20222477       1.08721895      -0.95284335
Cl       8.13876004       3.64631005      10.71070003       2.08048568      -2.24866709       0.43128188
Cl       9.05034997       8.62200997       5.92594002       0.49658986      -0.90729318      -0.70974770
Cl       6.51522004       1.04079001       8.15977004       1.16964613      -0.11899081      -1.42955866
Cl      10.63860004       2.95626999       4.43655996      -1.13691995      -0.85122428      -1.25366415
Cl      11.36369995       6.45328004       4.29624997       0.60198209       1.21226607       2.40505273
Cl       1.16050002       9.35405003       7.90017000      -0.77591196       1.12637524      -0.95888433
Cl       0.90067305       8.86090002       0.01645326       0.40971052       0.79139593      -0.13578390
Cl       6.72680997       4.43745003       2.66292996      -0.06912486       1.82135921       0.71685259
Cl       4.97204003       3.93641998       8.20305002      -0.55313704       1.01131544       2.11255847
Cl       5.28219996       1.87270998       2.93351002      -1.01507201      -0.17705511      -0.14058891
Cl       6.01409002       5.56035000      11.24829999      -1.42234904      -0.58540419       1.20283715
Cl       4.14752997       9.80434996       9.89604002      -0.15575977      -0.03400343      -0.38187056
Cl       8.04192996       4.41394005       5.39002994      -0.62416802       0.19778139       0.88762306
Cl       7.02963002       7.01960004       8.36726995       0.41861810      -0.36852555       0.34823643
Cl       1.01279005       5.42252994       1.81914995       1.35216186      -0.82827510      -0.73026752
Cl       9.90772001       6.37796000       0.07866520      -0.52914889      -0.07694412       0.53943761
Cl       2.02031999       6.44046995       8.14667000       0.13043556      -2.16853266       0.18358585
Cl       2.35737002       4.14007995       5.71877998       0.06251293       0.54760035      -0.10269123
Cl       4.29979996       8.68978003       2.62738001      -0.02349615      -0.08380679      -0.26877466
Cl       1.65722996      10.65090003       3.67448995      -0.33084726      -0.16399886       0.63565777
Cl       1.71482004       1.72999998       8.01918004      -0.14758024      -0.47292924       0.34522963
Cl       6.22875995      11.02909998       4.36498995      -0.15744369       0.50983544      -1.36418054
Cl       4.94440004       7.82936005       6.08583003      -3.12253391       1.37005716       2.12635597
Cl       3.57072006       2.10854996      11.19559997       0.09632954       1.79546647      -2.01070353
Cl      10.35010003      10.94719999       9.99040005       0.25141484       1.35655692       0.97515105
K        6.32561003       8.12153000      11.39790000      -1.17478975       1.63285668      -1.14487055
K        7.14658996      10.44670003       6.56862002       0.90062903      -0.80122202       3.06981326
K        9.96590997       8.37796002       9.44843006       0.11259943      -1.19712595      -0.49313990
K        6.58527004       6.81861998       4.67434002       2.05482622      -0.84135570      -2.23867912
K        1.30554001       1.75654003       4.68487997       0.59960531      -0.95236605      -0.11243903
K        4.02847995      10.98700001       6.18710999      -0.79084735      -0.41884692       0.27804074
K        5.30812996       3.10031996       5.84716001       0.13559652      -0.69732798      -2.03028224
K       10.94130002       2.34120999      11.43060004      -0.21038117       0.29341238       0.03686536
K        2.43271999       0.03815948       0.24398097      -1.00380957      -2.98411419       0.91498307
Li       2.47535005       8.20862999       8.97734998       1.23416733       1.32920080       1.70932352
Li       5.15035996       1.34951996       9.58671006      -0.81787189       0.09820810       1.44397383
Li       4.50733004       6.13251000       7.71356995       0.24482346       0.38411823       0.10098081
Li       8.37976004       2.33820996       4.72882999       0.56249184       0.02923554      -0.46367492
Li       2.37098004       3.82701001       8.92038002       0.36409370      -0.09510494      -0.49386282
Li       8.91582000      10.80970004      11.57811173      -0.57068886       0.66824276       1.06457040
Li      10.75629994       5.73223999       2.51638995      -0.88156711      -0.58777703      -1.01589768
Li       0.30081403      11.39099994       8.54140996       0.09344726       0.23830850      -0.40706480
Li       1.93023997       6.32452997       5.96405998      -0.04215663       0.00805461      -0.59466717
Li      11.47159996       4.39750994       5.61755006       0.24788657       0.84208221       0.72646596
Li       7.01455997       4.79319994       9.55121003      -0.99061991       0.90612025      -1.22052945
Li       0.32521104       6.97097999       0.51291195      -0.20911712      -0.54301728      -0.27994364
Li       9.40696996       1.94842005       8.25705994      -0.17462524      -0.16556714      -0.23843848
Li       1.63183999       8.42336002       3.01203995       0.59100997       0.14826604      -0.56973846
Li       4.55731004       3.02789998       0.99001300       0.86106480       0.75101185       1.45618297
Li       7.51394995       6.35903996       1.67237003       0.10260471      -0.22549729      -0.58268548
Li       5.87098999      11.01959997       2.25656006      -0.67762905       0.12980023      -0.90404816
Li       7.92735004       9.95843002       3.53785002       0.95746277       0.12699038       0.63183647
Li      11.64789996       9.57183000       6.01983006      -0.78167681       0.26551001      -0.29289876
Li       8.43566000       5.76321005       7.15777003       0.57521523      -0.12620234      -0.12108130
Li       7.31229997       3.37552995       1.09751995       0.55575514      -1.25622522      -1.39481455
60
Lattice="11.69144674 0.0 0.0 0.0 11.69144674 0.0 0.0 0.0 11.69144674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-463.75163727 stress="-0.01851457211701688 -0.0003531364848636294 -0.0003900107590435263 -0.0003531364848636294 -0.021006126199242067 -0.0016968419677991099 -0.0003900107590435263 -0.0016968419677991099 -0.026029447008892467" free_energy=-463.75163727 pbc="T T T" config_type=melt 
Cl       5.75538005       0.53395702       4.96113004       1.67875703      -0.44791152       0.81102067
Cl       1.28276005       6.94478004       6.63144003       1.45693954      -1.78360896      -0.40106703
Cl      10.18540005       6.58899003       4.72659003       0.72017840      -2.03462595      -0.42099573
Cl       1.13496999       5.96236999      11.28740004       0.97708060      -0.42987285       0.68369815
Cl       2.28854996       0.47088494       3.34407996      -0.74543797       0.82080580      -1.35783400
Cl       9.73827002       6.05508000       9.93291005      -1.16932059      -1.11693789      -1.44174358
Cl       0.01405324       8.57454995       9.16874996      -0.60138546       0.85980231       2.71666131
Cl       4.89844997       0.84120205       0.52009798      -0.87555613       0.00169458       0.91721094
Cl       2.00109996       0.79886101       6.66375999       0.39606453      -0.23945238      -0.36888842
Cl       7.36847994       5.32366005       0.67270901       0.62095680      -0.69378744       0.51277527
Cl       8.23883005       9.18021997       7.27187001       0.65268398      -1.20052465      -2.65978915
Cl       9.80905998      10.52019994       4.35082997       0.15065996       0.67847199      -0.54901701
Cl       8.59235006       0.74004297       8.20915003       0.24069652      -0.12956332      -0.51321798
Cl      10.14639996       8.28489003       0.89022300      -0.57973635       0.12136181       0.90290446
Cl       1.45426995       9.71615004       0.03125322       0.44670768       0.88689999       0.04478989
Cl      11.08129995       4.06688004       2.39597997       0.72879646      -0.31948005       0.06481329
Cl       3.87939003       0.61396101       9.32407001       0.36866258      -1.79848053      -0.80495549
Cl       7.79213004       5.90275004       6.89285003      -0.26819394      -0.53919743       0.38678983
Cl       6.43193999       2.35127995      10.06980005       1.38481121       0.62688620      -0.66728097
Cl       6.76435997       9.56086004       9.73696000      -2.05781213       1.59005699      -0.31008956
Cl       4.26564995       4.82880998       1.03566997       0.06265907      -0.27528324       0.28580743
Cl       9.08776003       1.09711998       0.38325299       1.30811839      -0.26742004      -0.19139332
Cl       4.57291005       7.97613996       1.98032998      -0.13346723       0.73274875      -0.37934909
Cl       1.16923996       8.25795995       3.52921998       1.65986296       0.88631855      -0.13737087
Cl       0.94715099       2.58074996      11.11180001       0.50714137      -0.24824286       0.05527285
Cl       7.31165004       7.99581000       4.19932998      -0.66076598       1.38997848       2.04024163
Cl       4.50660003       8.73775997       7.01138996       0.13615009      -0.34904677       0.10181517
Cl      11.22379998       3.55103002       6.57440004      -0.05918679       1.17718466       0.79657141
Cl       4.82982001       4.78902002       8.71999002       0.00518947       1.04708497       0.00326054
Cl       7.43681002      10.65499999       1.40088996      -2.10400395      -0.91745820       0.29186267
K        6.83975999       7.91641000      11.63389793       0.04187888      -1.07182649       1.39302007
K        2.81866997      10.09239997       4.88892004       0.19946047      -1.12529682       0.53776110
K       10.42990000       1.52707995       5.10202004      -0.03953430      -1.06281352      -0.42176494
K        0.06120531       0.41921296       1.65786001       0.33192405      -0.09957893      -0.38471255
K        4.75366999       2.34254995       7.55464998       0.41592846       0.22707109      -1.22693139
K        3.97905003       6.18108995       5.18047000       0.06270196       0.28224419      -0.21726304
K       11.61869999       1.24780999       8.59590999      -0.14860823      -0.20819671       0.22697263
K        9.93280997       3.60903001      11.62410003      -0.27340225       0.89995925      -0.45516720
K        2.94560003       6.84403005       9.28383997      -0.09306016       0.52767599      -0.22985848
Li       1.86745000       7.85465999       0.98112902       0.51965270       0.05605886       0.62709070
Li       2.88030003       1.45797006      10.78000002      -0.54801938       0.46296715       1.74263066
Li       7.01925000       1.26463994       0.84517702      -0.24149061      -0.34558188       0.17248175
Li       6.93271003       0.30410505       9.72920003       0.20296312      -0.53154256      -0.01811663
Li       7.58350997       7.10212002       2.54918995       0.28597318      -1.51675048      -2.02177475
Li       5.59067995       3.49812003      11.54470003      -0.42876260       1.03854035       0.68447344
Li      10.00469997       4.33758005       4.12743998      -0.14697470       1.07852069       1.10755898
Li       2.29733000       4.39327998       0.67217296      -0.97905782      -0.52249366      -0.13639875
Li      11.08559995       5.45635002       8.04214999       0.15144210       0.17315136      -0.48334686
Li       5.13189998      10.23809995       1.03414997      -0.25351768       0.03034797       0.49425248
Li       3.96889998      10.53990003       8.11959004      -0.27360148       0.01897672      -0.00764087
Li       0.02395320       8.23014997       7.34849002      -1.09094470       0.75938053      -2.30123908
Li       6.49179997       7.61179006       7.78423995       0.21601495       0.03681986      -0.37758425
Li       3.88155003       0.93810894       4.51295000      -0.97121557       0.93379121       0.11134340
Li       8.68340000       9.38486997       9.12405005       2.14559422       0.31915014       1.64375980
Li       8.12034005       4.68763997       8.73217999      -0.46404723       0.09080053       0.05560822
Li      11.44299999       7.12253996       2.88753002      -1.86110969      -1.26128423      -0.58067520
Li      11.07590002       6.96429996      11.18209998      -0.15754058       1.30950953      -0.13878118
Li       7.44633001      10.70710000       6.09477995      -0.24582523       0.76173995      -0.81436551
Li       9.42444003      10.35840002       1.61037999       0.72894678      -0.37931798       0.35335300
Li       9.60515998       8.46033994       4.93122998      -1.33301878       1.08957688       0.25281119
60
Lattice="11.69144674 0.0 0.0 0.0 11.69144674 0.0 0.0 0.0 11.69144674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-465.13614569 stress="-0.029250470773065973 -0.0029811956047736134 0.013042496681524416 -0.0029811956047736134 -0.019735088890644237 0.0008746754582526986 0.013042496681524416 0.0008746754582526986 -0.01955288598853583" free_energy=-465.13614569 pbc="T T T" config_type=melt 
Cl       4.33997996      11.39249995       9.18492005       1.18488015      -0.01516827       0.22707081
Cl       5.84519994       5.48395996       8.05050996       0.57017571      -1.38259355      -2.64349893
Cl       6.13423998       4.48981999       4.01161001       0.00300720      -1.10624465      -1.42303486
Cl       0.74247795       7.68977002       5.48051999      -0.02824095      -0.71316407      -0.40959920
Cl      10.48309994       1.19103001       9.13977002       1.94845208       0.94466992       0.66938937
Cl       5.40924004       1.51053001       1.12021001       0.36493704       0.47049308      -0.02471437
Cl       1.83844995       0.60082006      10.38309996       2.76227990       1.38433185       1.25396616
Cl       9.67355997       1.92818999       1.96367002      -0.14319609       0.69788009      -1.23773724
Cl       8.16345997       1.32035998       5.35010997       0.64949473       0.80181524      -0.25250192
Cl      11.16420002       3.74280997       5.94841999       0.03986171       0.48505911      -0.70765670
Cl       2.87074005       3.47061006       8.09550999      -0.08876417      -0.70243392      -0.33639134
Cl       8.67140996      10.17040004       3.31132006       0.08957209       0.10392490      -0.60700955
Cl       3.57103000       5.95985995      10.61230002      -0.55197283       0.78099772      -0.32414197
Cl       7.72287002       4.97208995      11.55159997      -0.49895345      -0.27960697       0.38862368
Cl      10.84939998       5.27667996       0.91894304      -0.67776330      -0.20063637       1.01150206
Cl       2.15495998      11.66869998       6.65390000      -0.25149405      -0.24078806       0.24962383
Cl       4.27512002       7.07550000       4.82927998       0.16901588      -0.06970740       0.18105379
Cl      10.91680001       9.25858996       0.14344598      -1.18465901      -3.33207827       0.07126181
Cl       5.11209000      10.27010002       5.34901003      -1.34943651       0.58688106      -1.52235757
Cl       1.13157000       9.43664999       3.22289005       0.89229820       1.14531425      -0.59309401
Cl       0.32091595       5.97081998       9.12595996       0.05493995      -0.91262970      -0.22833021
Cl       1.59293004       2.01998994       3.43659005       0.95544680      -2.09973328      -0.67605692
Cl       7.37434998       8.24666005      10.28510003       0.16302625      -0.67472754      -0.25664286
Cl      11.08720004       8.79460004       8.10401996       5.53295397       1.97839684      -1.87170828
Cl       8.97789995       6.65814996       6.72751999      -0.54493066       0.99870483      -0.91230715
Cl       3.07838002       8.31281996       7.74780998       0.61886468      -0.43863451       0.81110360
Cl       7.63431000       2.24879997       9.45730001      -0.89991889      -0.61852229       0.15869833
Cl       4.72514999       9.66463998       1.27015001      -0.90059788      -0.48763409       0.37144000
Cl       2.85822003       6.11215998       2.19984999      -3.42031480      -0.91563037       0.33696627
Cl       7.73111004      10.57020005       7.61022995       0.42743057      -0.42499826       1.91782152
K       11.67879999      11.52946876      11.51006470      -3.37740395       1.66792866       2.37387670
K        6.97512999      10.66080000       0.10892699       0.76078889       0.55173837      -0.26242412
K        5.37391001       3.96728002      10.15660004      -0.21333262      -1.64112008       0.70492156
K        2.41854002       8.92733000      10.83790004      -0.06877657      -0.10937159      -0.12790291
K        7.42154005       9.06961000       5.57411996       0.82561532      -1.95792581      -0.95845191
K        8.87644999       4.74645006       3.69079998       0.87377406      -0.31344744      -0.09692030
K        5.12136997       6.24392002       1.29350998       2.81568093       0.54138955      -0.46196038
K        8.66997004       4.33655997       7.90392996       0.32369953      -0.93098712       0.36410701
K        5.98249003       0.76086603       6.81251003      -0.87248876       1.28351763       0.69149844
Li       0.53700498       3.23249995       7.76220005       0.04470952       0.01624721       0.62302089
Li       9.15038000       0.40411299       7.91284002      -0.75583887      -0.04222121      -1.01712772
Li       8.60097004       2.80721001      11.44690002       0.24815266      -0.10840227       0.29621916
Li       1.11604002       3.76625003       4.09240001      -0.80078313       1.47190699       0.88150863
Li       2.55723004       5.67675998       8.15262001      -0.24831906       0.77187196       0.56752517
Li       9.96641002       8.95554999       2.06960996       0.61923209       0.13608697       0.22238524
Li       9.43187006       0.71926599       3.62371002      -0.20656454      -0.68871810       0.59184168
Li       3.89037006       9.28103999       3.45090997      -0.04517635      -0.31682970       0.03730528
Li       2.31939995       1.00036005       8.60370000       1.13038103       0.61391673      -2.40588813
Li       3.94922994       0.70398305      11.47310979      -0.54425389      -0.56996107      -0.59034790
Li       1.87038000      11.29129996       4.60853003      -0.42713949       0.14166423      -1.20704750
Li       4.34943004      10.15829998       7.31449995      -0.73141680      -0.41775042       0.60017152
Li      11.15019998       6.65487998       6.63985004      -0.41923757      -0.57969163       1.36040269
Li       5.50753003       7.08864996       9.06609999      -0.42164196       2.22115026       1.41206632
Li       1.26444996       9.27016998       6.87362005      -0.08956873       0.39872068       0.38423895
Li       1.14097998       5.40793995       0.51145321       1.53874113       0.31928603      -0.41757727
Li       5.29516999       4.91177004       5.79044995      -0.79038418       1.13061690       1.25769576
Li       2.05064001       6.81750999       4.09925003       0.72694842       0.50410979      -0.22715193
Li       9.50516000       8.51924005       8.72966002      -6.03445637      -0.87068354       2.09697074
Li       9.38616001       6.30045003      11.43890003       0.13410273       0.79157595      -0.54531979
Li       5.32387003       2.43330001       3.08645998       0.11856221       0.22184476       0.23062597
60
Lattice="11.69144674 0.0 0.0 0.0 11.69144674 0.0 0.0 0.0 11.69144674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-463.89524467 stress="-0.024158677500033088 0.0049963909447155 0.00939962889514659 0.0049963909447155 -0.005526432251632067 -0.0012787695272803222 0.00939962889514659 -0.0012787695272803222 -0.02616573144667872" free_energy=-463.89524467 pbc="T T T" config_type=melt 
Cl       5.45740997       6.65185996       9.77265995      -0.13319356      -0.06697568       0.15617686
Cl       9.86664994       5.69797002       4.97110997       0.29143215      -0.20361831      -0.73840660
Cl       4.93894002       3.35496996       9.02058998      -2.39175212      -0.46347442       1.87613110
Cl       7.39500000       3.87145002       1.67098997       0.16037631      -0.13094025      -0.25970306
Cl       9.02340996       1.56383997       8.87310004      -0.76290688      -0.05622271       0.26879793
Cl       8.29732002       4.87364002       9.42341001      -1.50676370       0.02036032       1.75069358
Cl      11.04569996       4.44192002       0.87491305      -0.18130304       0.16142681       0.09109898
Cl       4.91744004       8.32396004       0.55664895       0.17630053      -3.15596283       2.41208270
Cl       3.16142004       5.55299000       3.06266999      -1.81115423      -0.33270201      -0.71071456
Cl       2.31462995       7.06192998       7.01632000       0.03324232      -0.04614333      -0.92143962
Cl       5.22402999      11.49609997       7.91631004      -4.14627304       0.91850977      -0.46704995
Cl       1.74251006       0.73268297       9.44166001       0.85600615      -1.10144352      -0.50259801
Cl       9.56946997       0.66217198       3.70829004      -0.95492837       1.30948836       0.28368301
Cl       4.32307997      11.40730004       0.28935302       0.31934777       0.41956488      -0.14417322
Cl      10.66059996       0.87879402       0.22187805      -0.94464563      -0.40430454       1.18598816
Cl       3.66408000       9.28173002       4.01050996      -0.04289705      -0.25049711       0.78693372
Cl       2.04275997       1.11057006       6.02843999      -0.03302688      -0.73016942      -0.54357449
Cl       5.53620003       6.49977996       4.14315001       1.74739509       0.06206597       0.83858202
Cl       7.67310000      10.50449997       6.06593002      -5.45162765       3.14358373       3.06241861
Cl       0.14412596       3.51194996       9.43741999       0.32787459       0.85202412      -0.57793135
Cl       7.62017996       9.87651998      10.65030002      -0.14374482       0.08023709      -0.37037045
Cl       3.59799001       3.81995002       6.56274998      -1.06501066       0.91981436      -0.58247981
Cl       2.19233999       6.26177005      10.24440000       2.35252474       0.98284942      -0.03767694
Cl      10.85399998       7.54546997       9.84022002       0.49059136      -0.30169055      -0.36857146
Cl       4.20544005       3.09768997       0.58540196      -1.84195483       2.05286761      -1.16164619
Cl      10.16960000       8.03569000       1.74531004       0.48619900       0.58222600      -0.40381842
Cl       5.22106995       2.04699999       3.61458005       0.08317399      -1.32961838       1.05101957
Cl      10.90459998       9.87371006       5.47700998       2.36703878      -0.29149542       0.38039607
Cl       1.64928994      11.40820005       2.26858003      -0.62717174      -0.12126977       0.09636031
Cl       6.98192996       3.34435997       6.37290999       1.00910555      -0.55634387      -2.59035576
K        1.33462003       8.61254002       0.31445397      -0.24093289       0.28757371       0.23436583
K        1.01165001       9.06076004       8.39127003      -0.11008737       0.95579090      -0.37377233
K        8.15859002       6.49752001       2.92943006      -0.25957806       0.08710424      -0.28106837
K        6.58728997       5.86143001       7.28610002      -0.60179401       1.25029522      -0.30005124
K       10.17780003       1.42805995       6.39756994       0.57628908      -0.39584377      -0.29858519
K        9.96361003       5.17549996       7.56895996       1.75381298       0.07540106      -0.30724262
K        0.73104395       7.58718997       3.77254003      -0.37026743      -0.02613398       0.30811815
K        7.75524002       1.60183997      11.41500003      -0.44538021      -1.30098767       0.12490378
K        1.50987003       3.07688001       3.24824003      -0.07038522      -0.41279477      -0.09700287
Li       7.03458999      11.28299997       8.16020005       3.94991144      -0.80511255       0.85271110
Li       4.94701998       3.64605004       4.88620996       0.21903314       1.07261519       0.42545916
Li       2.87720998       1.90845003      10.83069998       0.55171828      -0.31719775       0.77479615
Li       8.96097997       9.73006999       5.28037996       3.76659828      -3.01668188      -3.35507434
Li       8.30748001       2.99303994       3.61267996       0.00273846      -0.35141322       0.03551212
Li       2.23180003      10.90700000       4.39417998      -0.58835501       0.63887692       0.12217881
Li       5.08278995       0.19252796       5.53945002       0.10804967       0.00723654       0.17135102
Li       3.52991995       6.60861003       5.15084001       0.21108597      -0.02499822      -0.12935481
Li       0.59647797       5.39471003      10.86689998      -2.53417189      -1.33071377       0.77503392
Li       2.03252002       5.25388994       8.25962002       0.25825713      -0.49697839      -0.25066640
Li      10.38390001      11.35180004       2.10625002       0.83753434      -0.57157535      -0.74880519
Li       9.17007004       3.73959997      11.00350003       1.29078382       0.29640707       0.57316405
Li       9.09403004       7.28326999      10.89789996      -0.94422659       0.46765297       0.55635089
Li       4.82336995       9.20800995      10.58780001       0.88963580       1.54851466      -2.60976922
Li       3.19726006       1.95999996       8.12271002       0.07523575      -0.26492737      -1.00027807
Li       0.00985332       1.43197003      10.31140006      -0.45643240       0.69316550      -0.83770681
Li       4.78209003       6.14003999       1.46053995      -0.09460514       0.14392887       0.50628964
Li       4.34263999       9.56086997       1.97959003      -0.35978785       1.77769764       0.75763300
Li       5.28112996       1.88827001       1.59785003       1.01391250      -1.90055596       0.19292803
Li       6.58679999       2.94802998       8.26020003       2.87154697      -1.29410840       0.37766407
Li       4.58594005       4.56094000      10.66969999       0.03760632       1.24561626      -0.05893501
60
Lattice="11.69144674 0.0 0.0 0.0 11.69144674 0.0 0.0 0.0 11.69144674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-468.04981999 stress="-0.012815627361824504 0.005978813050721556 -0.005906681908312115 0.005978813050721556 -0.015856032081728404 0.0014542631628444245 -0.005906681908312115 0.0014542631628444245 -0.017010327142579162" free_energy=-468.04981999 pbc="T T T" config_type=melt 
Cl       1.29927995       1.77965998       5.86914999      -0.80244723      -0.30173443       0.08653901
Cl       5.87829995       1.20440000       9.33079996      -2.98671282       3.60311383      -2.23968349
Cl       0.99906803       0.10855321       9.76176995       0.03403288      -0.03475685      -0.43796112
Cl       8.57343002      11.49940000       0.38709796      -0.34460879       0.54385398      -0.66001314
Cl      10.89890005       2.62505996      10.29169997       2.42710174       2.31566161       0.77882031
Cl       5.83839996       7.02000994       2.57652000      -0.20394183      -0.11125163      -0.08889494
Cl      10.16590000       8.68450999      11.64028672       0.10295426      -0.27819896      -0.36549061
Cl       7.71335003       4.57171004       4.02398996      -0.19907235      -0.11697129       0.24563769
Cl      10.45770004       0.52825405       3.06467999      -0.41505596       0.33942425      -0.24370675
Cl       1.10102995       9.89718005       4.19155003      -0.90310971       0.94636918      -2.05154685
Cl       2.95022002       1.13951995       2.38856000      -1.07162446      -0.02800999      -0.14391285
Cl       4.30546996       7.24528004       9.63775994      -0.17931454      -1.21424812       1.03870775
Cl       9.78641002       3.75703998       6.76687995       1.85152511      -0.07026388      -0.27462900
Cl       4.46015996       2.07912996       6.59875005       0.47074251       0.42685026       1.46551486
Cl       8.20442002       5.72718005       9.36451002      -0.00516089      -0.41063541      -0.36548082
Cl       7.06121995       9.32814997       8.45952002      -1.06136024      -0.38984007       0.78858452
Cl      11.27330004       6.88712999       8.07341000       0.69177878      -0.19431091       0.11412433
Cl       5.76415998       0.69633298       3.77761997       0.25924451      -0.18026173      -0.15235224
Cl       6.42617003       7.70854005       5.97706999      -2.17720495       0.71054091       0.97094763
Cl       2.65586002       6.88831000       5.47668005      -0.03615394       0.67650200       0.68136978
Cl       2.81239002      10.44279999       7.29776002       1.15435526       0.85747067       0.23406549
Cl       4.37799996      10.28300001       0.13140403      -0.26536452      -0.92035072      -1.14068504
Cl       8.84854999       4.28272004       0.69548898      -1.06550999      -0.92716224      -0.64255847
Cl      11.42589996       3.31232996       2.87450995       0.80059679       1.09304591      -1.33640656
Cl      10.14290000       9.97535000       6.55814998      -0.61370946      -1.15158711      -0.57364245
Cl       2.78379006       3.69669996      11.21970002       3.91043981      -1.12094331       0.61454846
Cl       9.66555004       7.93345005       4.08906000      -0.19505857       0.42884678       0.63132231
Cl       9.13057995       0.46985598       8.50867005       0.17738452       1.99378560      -0.02154181
Cl       0.82677702       6.37576002      11.46699996       0.88450792      -0.18077596       0.64634209
Cl       3.28279994       4.08179996       4.03267005       0.39520271       0.12935946      -0.54439207
K        2.03481996       4.30700002       7.54976003      -0.04737168       0.33171784      -0.30004343
K        7.19232000       3.68257002       6.95866001      -1.42108556      -0.17706287      -0.01786432
K        3.75461997       7.20255002       0.65734996      -0.67592088       0.10539228       0.64724542
K        2.16248004       9.17103996       9.61386005      -0.54293848      -0.49300441       0.72789661
K        6.21878995      11.11210001       6.54209996      -0.15034733       0.69180749      -0.61646481
K       10.03190001       6.19005998       2.08201997       0.70805159       0.12749155      -0.23164345
K        7.23588000       7.99885001      10.93249998       0.11615917       0.17889567       0.81863168
K        6.04214003       4.48000000      10.92579996       0.06683785      -0.47682547       0.06148966
K        0.66105498      11.00209998       0.87994096      -0.06023459      -0.17619787       0.21369413
Li       8.84368004      10.23200005       8.79239001       1.18736135      -1.25136984       0.12773404
Li       3.14171002       0.94028495       8.28806998       0.18087607      -0.23458903       0.03173283
Li       0.88573500       0.86313696       3.63182996       0.42693021      -0.13849823       0.27627063
Li      11.29150000       3.02964996       4.88646998      -0.49690108      -0.01738863       1.56465052
Li      10.44910005       7.61579999       6.22405999       0.21084518       0.56167166      -0.16183681
Li      11.46380001      11.28727576       7.35014004       0.82563328       1.30997965       0.80941563
Li      10.12489997       0.89723003      10.59159996      -1.27120419      -2.36866324       0.21633682
Li       9.72098995       3.70912001       9.10922003      -1.08687377       1.14666322      -1.04494051
Li       4.94243997       7.87467001       7.89504996       1.06931977       0.73145621      -1.87673338
Li       7.98039004       6.89715002       5.17177998       1.33059017      -1.37931452      -1.56649832
Li       4.64458002       7.40271004       4.65301996       0.14299378      -0.29937901      -0.57577617
Li       3.34659000       1.88316997       4.89688998      -0.04527528      -0.15239006      -1.40551706
Li       5.50395000       4.02133004       3.31454000       0.28829615       0.10332825       0.39926314
Li       4.63256005      11.17583874       1.93759003       0.37897428       1.04614318       1.41279919
Li       6.83012004       0.01167122      10.23249998       2.93923939      -3.34554668       2.84294504
Li      10.90750004       6.87297001      10.24980005      -1.13333581       0.53800189      -0.19172994
Li      10.13920001      10.31069997       3.75564005       0.02595619      -1.31330107       0.76704238
Li       1.03949997       4.21207997      11.00789999      -3.85967642       0.72125209      -0.34737817
Li       9.14373996       2.56953003       2.17384997       0.10546409      -0.06708004       0.01786336
Li       1.95075998       9.32446997       5.85718999       0.29509708      -1.73256116       0.28137422
Li       2.27799995       3.47705006       2.03511002      -0.14191708      -0.40415066       0.10641505
60
Lattice="11.69144674 0.0 0.0 0.0 11.69144674 0.0 0.0 0.0 11.69144674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-464.7652366 stress="-0.023806425505669197 -0.001987064352749292 -0.0023987787926158712 -0.001987064352749292 -0.019124177286209968 0.004445735711986243 -0.0023987787926158712 0.004445735711986243 -0.020593184210568157" free_energy=-464.7652366 pbc="T T T" config_type=melt 
Cl       1.45242001       5.68742995       2.15334001      -0.63590378      -0.94141294       0.40461130
Cl       9.48407003       0.00152480       1.87441997      -0.16151197      -1.23740094      -0.22306139
Cl      10.98060000       0.36706700       7.27744999       0.12508528      -1.72712000      -0.65635457
Cl      10.39030002       8.49707997       9.10824006       0.77595841      -2.23723393      -0.41961005
Cl       2.22763004       8.96773996       2.95110004      -0.56283427       0.43532865      -0.49966252
Cl       3.32715004       7.59146003      10.75169994       0.47408894      -0.20248654       0.11827713
Cl       6.00718003       9.35283003       2.99697002       0.88930336      -0.11856693       1.44592575
Cl       7.76673996       1.57123995       5.04767995       1.08062378       0.15555429      -0.26540407
Cl       0.96055898       1.23059995       0.70329500       2.03806809       1.48357401      -1.71230502
Cl      11.10170000       3.63465006       6.14463999      -1.12462872      -0.57841604       0.06551824
Cl       3.42826001      10.23570005       5.89137999       1.33776611       4.84803982       2.40483252
Cl      10.75330003       7.98668004       1.39335997      -1.94152979       1.04712997      -0.29407992
Cl       3.86150002       6.68927002       4.79003004      -0.13950275       0.11582380      -0.70799036
Cl       9.05261005       0.95255805      10.01470002       1.85705254       1.12618907      -2.87542713
Cl       7.76269004       9.24767997      11.41879998      -1.43568846       0.41433443      -3.10269105
Cl       3.39501001       0.08248935       9.63671005      -0.29458116       0.36029304       0.95408126
Cl       0.62857801       0.90869104       3.93923995      -0.35544916      -0.44557393      -1.52003139
Cl       5.55734004       3.93932998       3.40278002      -0.24109824      -0.38314897      -0.15778528
Cl       7.47954004       4.64129999       0.27113599      -2.26913792      -1.53687589       3.07499316
Cl       6.17544999       1.34594004       7.78500001      -1.79205757      -1.09016137       1.16453460
Cl       6.39964997       1.12165998       0.29285005      -1.53968506      -0.27912548       0.94940228
Cl       4.29170001       3.76939001       0.16761396      -1.78061336       0.54812426      -1.28089303
Cl      10.23640001       2.97789005       1.53644995      -0.76818703       0.40019985       1.04093054
Cl       0.20611600       4.30486002      10.08839998      -0.17784655      -0.58219284      -0.01106318
Cl       8.31395005       5.16766003       8.11764002       0.91408543       0.34888201       0.83729395
Cl       2.84127000       3.06400001       6.05545004       0.51161878      -1.37277753       0.41160130
Cl       5.57602005       5.38485005       6.92360005      -0.42954865      -0.52733558       0.87028745
Cl       5.98061998       9.12311006       7.73109998       0.52024839      -0.19465667      -0.23454504
Cl       0.84017998       7.92621994       6.54673994      -0.58214629       0.45098069      -0.50237441
Cl       8.87975002       7.60862998       4.58318999       0.09685896      -0.08022200       0.72914244
K        1.44136002       5.32948006       6.00795003       0.19078086       0.81193133      -0.39639824
K        8.86756005       4.25576997       3.59992003      -0.52532348       0.54759042       0.72506256
K        3.08516001       4.92985998       9.20697000       0.36561900      -0.10991834       0.00301692
K        2.19044995       9.23903999       8.63511000       0.13333036       0.31058833       0.12912594
K        5.36570998       0.22908197       4.34466998      -0.20444984       0.12390905      -0.05540363
K        8.57799004      10.60959999       6.35529999      -0.48572475      -0.31975185      -0.28527832
K        4.96342998       9.69726005       0.67898100      -0.88968489       0.20752200      -1.72663062
K        2.20296997       2.75559005       3.20350995       1.25736504       1.55910576      -0.75948983
K        0.66205997       6.90691998      11.33909997       0.15886410      -0.22695101      -0.89541441
Li       8.44223995       5.42464995      10.66470003       2.17753764       2.53442077      -3.87715967
Li       3.54181003       6.06628006       2.01917002       0.68159450       0.18884793       0.23784204
Li       8.18489004       0.49536905      11.59290000       0.66630498      -2.29838019       2.48229224
Li       7.62477002       2.47058006       7.27001996       1.98809323       1.80294121      -0.91823175
Li      11.39600002       2.05685997       8.31624006       0.10747841       1.69622113       0.49244275
Li       9.70639996      10.28640000       9.20636005      -0.85058189       2.40645017       0.75828023
Li       0.94154295      11.66639442       5.54471000       0.66720703      -1.52055781       2.81935632
Li       4.95950002       1.75440996      10.57730003      -0.81803717       0.08894643      -0.84998414
Li       9.87736001       7.03579994       7.00066995       0.07587776      -0.12594320      -0.04520322
Li       0.33258904       3.21553998       0.64125329       0.90136562       1.09127855      -1.12793750
Li       4.54896001       4.29776998       5.60120997      -0.08526019      -0.31542806      -1.38835647
Li       6.59158997       6.84715003       7.85617005       0.62409893       1.01885699       0.63199507
Li       4.50277002       0.05433986       7.88195998       0.07812998      -0.78682529      -0.75569723
Li       5.85739003       7.87009001       4.66996005       0.13156077      -0.17974486       0.23634574
Li       2.78905998       8.75071000       5.13959003      -1.90223802      -4.25594931      -2.13587930
Li       0.37814897      11.33119995       1.50364994      -1.20240629      -2.57375359       1.51369320
Li       0.09372250       7.72144004       3.10119004       1.04155890      -0.10205759       1.04912634
Li       5.65616001       2.83623999       1.25462002       1.09831414       0.55866807       1.59864887
Li      10.34340002       1.05795995       3.54305996      -1.57552602       0.60075532      -0.03065032
Li       8.60022004       9.13417005       1.38300006       1.67308139      -0.09014273       3.09497394
Li       8.93863002       3.12883002      11.55850003       0.13226256      -0.84237596      -0.53264100
60
Lattice="11.69144674 0.0 0.0 0.0 11.69144674 0.0 0.0 0.0 11.69144674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-467.90968911 stress="-0.021504065227713004 -0.0027336072834548758 -0.0006971084308060327 -0.0027336072834548758 -0.018172240664367085 -0.005635418250886513 -0.0006971084308060327 -0.005635418250886513 -0.024320081209613417" free_energy=-467.90968911 pbc="T T T" config_type=melt 
Cl       4.74127004      10.91939995       2.27866005       0.17393879      -0.05286238      -0.91007894
Cl       7.86233998       2.16327003       0.90874202      -0.78260260      -0.20429432      -0.38578259
Cl       1.11401003       8.13970997       3.51522006      -0.35757042       0.22163010      -0.02839135
Cl       2.85482997       6.03628004       0.67212303       0.05578297      -0.10627048       0.23965613
Cl      10.22630000       2.89802005       2.71162004       0.73557685       0.25527737       1.14462432
Cl       9.62111004       7.13280996       1.19225001       1.98293851       0.48668784       1.15520910
Cl       4.52468003       7.14588006       3.58013997       0.69733762       0.48579830      -0.27046435
Cl       7.79514000       4.74386999       4.13087001       0.00813311       0.49690265       2.80051440
Cl       7.03939997       5.73300005       0.04913319      -1.82084380      -0.41769474       0.47307081
Cl       0.26504697       6.93355999       6.30548998       1.58316790      -1.60649826      -0.86225065
Cl       4.02760005       1.52303997       6.87479995       0.70673926       0.13139392      -0.37425466
Cl       1.27661000       0.10037996       7.94404004      -0.82147184       1.42907130       0.76515508
Cl       5.23279998       9.99140002      10.35609997       0.14020867      -0.29161831      -0.10472818
Cl       0.35962306       8.53128002       9.54948999       0.40601041      -1.13505577      -0.13948437
Cl       1.78848001       4.07199002       9.10909002       0.32964746      -0.53135341       0.91666119
Cl       6.86510003       3.53911995       8.88889004      -0.91396137       0.36243345      -0.16169085
Cl       0.87578500       2.17790000       0.47038303       0.39750240       0.12232563       0.11894152
Cl       6.12916999      10.21330005       5.78131998      -0.42919055      -0.60298204       0.62693333
Cl       4.35225001       2.33381994      10.65749997       0.28059791      -0.31505350       0.57441844
Cl       9.29881005       8.86929997       8.11576998      -1.61029222       0.32428804      -0.33922048
Cl       1.96053999       9.52616999       0.91281906       0.05280657      -0.09208733      -1.25368688
Cl       2.29413999       4.03641996       4.36464002      -0.85806662       0.28868159       0.36747980
Cl       2.24059994      11.48929999       4.29816000       0.00432362      -0.90973949       0.90143106
Cl       4.08429000       5.63047998       7.41409997      -0.00167258       0.27685938      -0.24169594
Cl       8.86557999       9.37996997       3.41282999      -0.11927132       1.56092096       1.08787481
Cl       9.29252999       0.68657004       6.58095999      -0.02959381       0.05198376      -0.47715937
Cl       4.63681001       3.00339997       2.23753000       1.00599280       0.15825644       0.27589413
Cl      10.33200004       4.75342997       8.35455994       0.56561325       0.10282487       0.37514186
Cl      10.81430004      11.22839998       2.13137997       0.82814747       3.15797150      -0.68547431
Cl       9.80873998       1.58978001       9.88783999       0.40038216      -0.64755228       0.79660561
K        5.07949997       4.51995996       4.76463996      -0.25511084      -0.42601313       0.51241641
K        0.16818403       5.58661004      11.15949994       0.05284304       0.05913849       0.04011971
K        7.60586998       7.18539995       3.29456002      -1.49550396       0.22445933      -0.64656829
K        7.34560002      10.73130000       0.54677097       0.04680499       0.10637227       0.40267005
K        8.06375999       5.32460998       6.98370999      -0.62639443       0.73075846      -0.28314477
K        4.76009000       6.89869996      10.11689998      -0.19800575       0.07644152      -0.14659823
K        1.77736998       9.33026004       7.01596996       0.84008870      -0.13488110      -0.57628201
K        6.47350998       0.66102902       8.76828003      -0.24973418      -0.25450923      -0.05493728
K       11.29219997       5.54499001       4.07910005      -0.53624591      -0.58250318      -0.94201578
Li       3.60538005       8.46870997       1.61420005       0.78331670      -0.79037783       0.54698060
Li       1.82993004      10.56299999       2.63248999      -0.75535759      -0.31539614      -0.43668472
Li       9.92948001       0.47501401       4.21718002      -0.05687008      -0.00251531      -0.11937933
Li      10.17859995       1.55108004       0.91692895       0.31482838       0.11378809      -0.24360129
Li       1.02246004       2.36725000       9.97597000      -0.16197799      -1.12458177       0.54587848
Li       4.82807997      10.85959995       4.40803996      -1.02885179       0.53325984      -0.49363203
Li       0.84107403       9.86602001      10.98039996      -0.32630720       1.15330669      -0.44876947
Li       2.51846004       1.42427005       5.28318999       0.17739134       2.14505638       1.24597285
Li       8.15990998       3.63865999       2.66050995       0.62196755      -2.03952822      -2.50658180
Li      10.62959997       9.33766003       2.21661997       0.16278218      -3.03549085       0.18617434
Li       3.84105004       2.77013000       8.63751002      -0.18399475       0.69393541      -0.31140733
Li       1.77776000       5.19785997       7.48080002       0.08231489       1.14932588      -1.55474683
Li       2.57317005       6.65574000       4.22011001      -0.33733183      -0.25729130       0.19154826
Li      11.01940005       1.42286006       8.10675003       0.03497858      -0.71751129      -0.83109279
Li      11.12400003       7.95197000       7.67296999      -1.38580894       0.81613181       1.83486980
Li       7.91513002      10.39790005       6.65273004       1.91402739      -0.23624131       0.52528729
Li       2.75736996       3.99266998       2.15277999      -0.53231208       0.47908176      -0.62811518
Li       3.90194003       1.42448996       1.00158999      -0.14782396      -0.76085894      -0.33242007
Li       8.60993996       6.73810005      11.27199995       0.69630109       0.76221366      -2.04201888
Li       8.89083994       3.30828999       9.05881996       0.51031893      -0.03382864       0.31731106
Li       6.22582002       3.79272999       0.15630798      -0.57064311      -1.33198615      -0.13648143
60
Lattice="11.69144674 0.0 0.0 0.0 11.69144674 0.0 0.0 0.0 11.69144674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-464.07612281 stress="-0.014777222281634732 -0.003909461228358477 -0.00048605086972943053 -0.003909461228358477 -0.01946113162881574 0.004784948906676744 -0.00048605086972943053 0.004784948906676744 -0.02350790876675861" free_energy=-464.07612281 pbc="T T T" config_type=melt 
Cl       1.55364000      10.76770004      10.16070000       0.76152735       0.73145010      -0.39433018
Cl       9.43651998      10.96250000       1.37165000      -0.00882623      -0.27027144       1.16184007
Cl       6.84480999       0.12542198       5.82027004      -0.49561540       0.06168853      -0.06927258
Cl       1.27354006       4.48503995       2.77125998      -0.28517680      -0.72713694       1.37053550
Cl       4.22240995       8.80489997       2.91682995       1.65697377       1.01018682      -0.91551456
Cl       7.55939004       8.16383001       1.79770000      -1.50993520       0.50136131       0.70290100
Cl       6.74421000       5.62623996       3.99206004      -1.08970376      -1.24629614       3.51701433
Cl       3.44508003       8.01131006       5.26156000      -0.59740900      -0.17212351       2.83928316
Cl       0.78542005       0.12157702       1.80297004       1.38598082       0.70324964      -0.15581492
Cl       5.92964002       6.29339997       8.38211996       0.00017768       0.26594464       0.15958218
Cl       2.16040995      11.42099996       5.39627002       0.38145022       1.65629255       1.98497960
Cl       9.32685000       5.97156005       6.15727003      -0.92882572       0.50188286       0.10795317
Cl      11.41280005       3.21392996       6.48372994       0.61265225      -0.58850137       0.19133146
Cl       5.83980002       2.64178001       9.48548002      -1.03313087      -0.11091920      -0.51061457
Cl       2.49894000       3.02784000      11.27899997      -1.12330549       0.28594208      -0.29369017
Cl       4.78230994       5.56849006       1.09293000       1.28560556      -0.93601806       1.23300248
Cl       9.67436002       2.05710000      11.55090000       0.70074374       1.03170520      -0.02655476
Cl       8.59166003       3.06756006       3.18662996       2.48226887       1.11907201      -0.00915622
Cl       9.14991001       5.94881001       0.61717300       0.99823583      -0.40961827       0.03741497
Cl      11.38840000       8.47446006      11.35460003      -0.68952170      -2.71707532       0.63187309
Cl       8.19336003       2.81346002       6.85584005      -0.65437226       0.67078931      -0.14516392
Cl       4.96333995      10.11210006       8.61845998       0.42520710       0.86942713      -1.89093713
Cl       5.90983003       1.93350995       2.87981004       0.90825511      -0.20706522      -1.86514829
Cl       2.64026001       6.06927003       8.93337997      -0.24543940      -0.50209452       0.48448015
Cl      10.43070005      11.30479996       9.03085004      -1.60154490       2.26430360      -1.29464953
Cl       3.47191003       3.35055001       6.26994003       0.69010858      -0.36851366      -0.11173049
Cl       0.02590053       8.85328000       2.86646004       1.32424609       1.67892452       0.01995041
Cl       3.36521997       8.90500004       0.22449998      -0.82606103       0.84950741      -1.34459647
Cl       6.96831001      11.27700004      11.00369996      -1.92121307      -0.44207792       0.25968337
Cl      11.41780001       7.82741997       7.59383994       0.67088325       2.10977852      -0.52446532
K        1.97000994       5.74570000       5.16203001      -0.37750752      -0.49788453       0.77763179
K       10.63840000       6.80508000       3.71257998      -1.09973285      -1.55431576       0.37371508
K        7.52359002       9.50164999       7.46745996       0.36219093      -0.16431820       0.15797779
K       11.07980005       0.78389502       4.05383004      -0.41674738       0.22062512       0.47046175
K        1.80688994       1.60883999       8.34550995      -0.00314156      -0.02656218      -0.16941835
K        0.73212705       5.53305001       0.50318595      -0.34442770       0.84980160      -1.52767956
K       10.90660004       5.57529997       8.66725002      -0.17140724      -1.22894412       0.64240551
K        7.49432995       3.86249005      11.41539999      -0.52003999       0.09792532      -0.09727216
K        3.84402002       0.70165797      11.66659996       0.66415147      -0.78245472       0.10321165
Li       5.28217997       6.91234002       4.66711003      -0.96372290       1.29028812      -0.38705939
Li       4.36661997       1.79144999       3.99058996      -2.21222749      -0.23267025       1.82778129
Li       0.19945328       1.51272999       0.18605324       0.09304404       0.03175155      -0.09073322
Li       1.79794996      10.13120002       4.01422001      -0.12902028      -2.10594366      -2.11779425
Li       3.67023999       9.50093003       9.91481005      -1.69058572      -0.66576821       1.02180262
Li       4.51180997       7.55654002       1.11638001       0.51414160       0.09151006       0.85039707
Li      10.12429997       4.36124997       5.06498001      -0.40485097      -1.19092436      -0.04675937
Li       5.79198001       9.71685994       1.33147994       0.32003393       0.07632937       0.08174686
Li       4.24037000       4.69905001       8.02701997       0.02994949       0.06902218       0.31764085
Li       2.86271001       9.37992999       7.01504003       0.13232627      -0.00644759      -0.05810981
Li       5.55601002       1.28920005       7.53108002       0.64629076      -0.08885815       0.06080869
Li       8.24435999       1.38879001       1.96851005      -0.11330267      -1.02198485      -0.64701803
Li       8.89811997       0.10608503      11.19430000       0.93585809      -0.17963362      -0.80271810
Li       6.81593995       5.60315999       6.65760000       1.36236090      -0.66972535      -0.64057395
Li       7.50577997       5.91180997       2.31259003       1.16306601       0.76557595      -3.20551573
Li      11.05080000       9.61178003       9.81698000       0.83501374      -0.45823658      -1.55369256
Li       3.82643000       4.82946997      11.23680005      -0.80850182      -0.52997185      -1.94368362
Li       9.87877000       1.58690006       7.48497995      -0.00872984      -0.16445358       0.30490940
Li       7.16425995       2.87444004       4.67458004      -0.47664602      -0.40119537       0.89916823
Li       9.39387005       8.57750005       0.86927999       0.58953030       0.23122733      -0.25270652
Li       0.59780799       9.83800999       0.86093896       0.81839903       0.63244169       0.50089023
60
Lattice="11.69144674 0.0 0.0 0.0 11.69144674 0.0 0.0 0.0 11.69144674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-463.95783074 stress="-0.014872952981988739 0.002275841098080265 -0.00019975709035137108 0.002275841098080265 -0.020051092172321882 0.004949285426497218 -0.00019975709035137108 0.004949285426497218 -0.009040223538381069" free_energy=-463.95783074 pbc="T T T" config_type=melt 
Cl       0.74561196       5.94826005       6.35888002      -0.57520988      -2.06370927       0.08810145
Cl       2.97716004      11.15560003       5.56510994      -0.13345635      -0.43471535      -0.13423253
Cl       9.04867997       2.52160995       1.16031997      -0.17159854      -0.80117080      -0.68970433
Cl       0.64409899       8.45546005       2.45954999       2.18234948       0.55559032       3.71533274
Cl       9.57667997       9.01320999      11.62859995       0.00520025       0.52237876       0.15836450
Cl       9.34318003       7.68038003       3.72789005       0.67994666       0.23550205      -1.46494343
Cl       5.63122998       2.43835995       5.43303003       0.12647644      -0.13136657       1.10669377
Cl       4.28556995       8.13219003       2.49550002       0.23393360       0.17811783      -0.23847196
Cl       7.37284003       8.49743995       6.00144000      -0.87591817      -0.36714154       0.86197597
Cl       4.53253996      10.20159995      10.92690001       0.23919865       0.11176544      -0.70263858
Cl       9.02828997       2.83772995       9.03303997      -0.54226634       1.18522836      -0.00444686
Cl       5.53278999       5.31570005       3.74306005      -0.53189870      -1.60619261       2.36662679
Cl       3.16197001       7.96933005       6.51965998       0.11306011       0.80392129       0.58811815
Cl       3.95280004       5.47084005       0.06958129       0.23740842      -0.40478330      -0.47559011
Cl       1.62432005       2.89134002       9.91956005       0.13572808       0.86448608       0.15869795
Cl       7.44471005       6.51272999       0.53678998      -0.40901843      -0.43120866      -0.26706463
Cl       1.64483001       1.28836996       2.42920999      -3.93147940       3.15774421       0.03992163
Cl       8.36990999       4.67828997       6.24523998       0.48294142      -0.91765136       0.13458114
Cl      11.33419997       5.84986998      10.05850004      -0.31204587      -0.10902026      -0.36015144
Cl       1.18481998       8.96906998      10.97710005       1.06936363      -0.07667291      -0.95797073
Cl       6.26836999       5.95269999       8.49461997      -0.28445673       0.37309821      -0.05081089
Cl       0.53207295       2.71960998       5.78077996      -0.46086066       0.57744078       0.21125881
Cl       7.87288999      10.51679995       3.19017995       1.90833144       2.47569809       0.01780898
Cl       3.59389999       4.49297996       7.44439005      -0.86794887      -2.12079799       1.79765814
Cl       0.91415001       0.43275095       8.03099004      -1.74026548      -0.52844294       0.89203822
Cl       5.77955995       2.73766999      10.06900001       0.16055245      -0.25204936      -0.06231198
Cl      11.02629999       5.19990001       1.98774996       0.08767642      -0.14046612      -0.36969940
Cl       4.88049004       0.03990373       2.47778000       1.33964525      -0.08600954      -0.41127546
Cl       7.32605005      11.45899997       7.42802998      -0.10139193       0.52564452       0.23517123
Cl      10.30910000      10.58890005       5.32442000       1.98692831       1.34186579       0.56400260
K        7.92707996       9.23430998       9.00029994      -0.02138119      -1.09464400       0.16766551
K       10.07570002       2.91445998       3.77297998      -0.14549626       0.40280780       0.36919650
K        3.52626999       0.15516000       8.45285999       1.27066719       0.29303509       0.01786538
K       10.92680005      10.88940005       2.58359005      -0.46165037       0.00787699      -0.38150705
K        1.81555003       0.56245995      11.25539997       0.27717494      -0.83944692       0.13306394
K        6.47275998       2.40213003       2.68654995      -0.28597454       0.34304215       0.04963618
K        0.08344606       8.38515997       6.16987995      -0.55239933       1.66444217      -0.29907259
K        1.89107000       3.96039001       3.70863002       0.56511030       0.58180263      -0.65117849
K        7.41197996      11.63910004      11.65258507      -0.61804702       0.04303461       0.34369103
Li       9.97381000       3.99355000      11.38819996       0.58357223       0.60575299       0.04893773
Li       8.73914003       6.41584999       5.15149999      -0.81259375       0.18494287       0.45645303
Li       8.31884000      10.42830003       5.39373999      -1.67097902      -0.15824357       0.13828922
Li       2.94924998       8.24462995       4.28481001       0.02599957       0.55805940      -0.64848953
Li       1.97828001       7.60530995       9.31584005      -0.49489257      -0.17386839       0.01512919
Li       6.54066004       9.32119005       2.57719997      -2.43230483      -1.62120078      -0.61953300
Li       4.30775003       4.38441003       9.64422999      -0.11529333       0.03160317       0.36879636
Li       5.85940996       6.33646998       2.17076004      -0.06860922       1.29261764      -2.07650884
Li       1.62466004       3.28504996       7.78252002      -0.20934433      -0.12344714      -0.24203024
Li       0.46574901       0.62869200       5.89918999       0.28255658      -1.29555094      -0.08048911
Li       2.89926998       0.02414974       2.37051004       2.49659738      -3.50114380       0.50447805
Li       6.97683004       1.98092005       7.42245000      -0.18456143       0.38608481      -0.11819559
Li      10.05570005       1.21673003       9.47594003       1.42324524      -1.23255564      -0.26127965
Li       2.82390002       5.96554001       6.51832002      -0.73879525       0.78702412      -1.06247339
Li       9.43555999       6.91910995       1.30364998       0.17248481       0.05626457       0.76386433
Li      10.10189997       4.50975005       7.78503006       0.11388044       0.29342426       0.08139636
Li       2.76434999       7.20107000       0.28324096      -0.06557503       0.95809054       0.79476052
Li      11.66150003       8.05303005       0.79720199      -1.61544303      -0.93541909      -3.07959586
Li       6.81155004       5.19881002      10.43669998      -0.14119999      -0.28979353       0.34900190
Li       5.34332998       4.54092003       6.49975997       2.30749513       0.00248031      -1.20366157
Li       4.83937005       9.23051996       6.98829000       1.06483141       0.33584454      -0.62525009
60
Lattice="11.69144674 0.0 0.0 0.0 11.69144674 0.0 0.0 0.0 11.69144674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-465.81667529 stress="-0.010603935146374095 0.0010161418153680753 -0.0004803229431819706 0.0010161418153680753 -0.016509644533941763 0.0012876513195966366 -0.0004803229431819706 0.0012876513195966366 -0.019516679237515436" free_energy=-465.81667529 pbc="T T T" config_type=melt 
Cl       4.43899003       9.40632004       8.57112996      -0.61264509      -0.09646035      -0.46479632
Cl       4.13534994       5.01346996       2.87301006       0.76814029       0.29758745       1.46039574
Cl      11.56250002       5.53802998       9.24485999      -0.15627279       0.95189632      -1.93564708
Cl       1.25845002       1.22028996       3.72038998      -0.17163529       0.15194020       0.29614940
Cl       2.60556003       4.15381997       7.20499003      -0.66256342       0.12889995      -0.38542846
Cl       9.60938994       8.31752998      11.50170005      -0.27682277      -0.85228981      -1.81415770
Cl       5.05221997       1.52209004       2.17921997      -1.72695526       3.82823896      -2.07197461
Cl       7.47197999       9.81337997       7.21626000       0.04475116      -0.69809204       0.13476894
Cl      10.65370001       4.49945000       5.58271995      -0.73434008      -0.31888278       3.69305814
Cl       1.97781001       6.34243998       0.30658399      -1.11164345       1.55600533      -0.32928557
Cl       7.99789997       3.83568004       0.51261101       1.73163076       2.06314576      -0.92306741
Cl       9.62400004      11.50240002       0.25935323       0.92599727       0.60734345      -0.94172553
Cl       3.87821995       4.15366997      11.13059997       0.79908123      -1.15231161      -0.73262711
Cl       9.25030996       7.14759999       7.10035999      -0.80790120      -0.50736839       0.48320765
Cl       1.37694003       1.17227997       9.41772002       0.17672049      -0.36916922      -0.64909895
Cl       8.24689002       3.72431001       9.14951004      -1.25474337      -0.54175560      -0.00794470
Cl       0.50199799       8.26283996       7.60535999       0.15398993       0.83116238       0.27790292
Cl       5.41354998       5.59626999       6.78769002       0.74433549       0.79976222       0.79636712
Cl       8.31799997       1.71790003       3.66627004      -0.08604464       0.75646314       0.51703189
Cl       8.14929999       6.78577999       2.85249005       1.55169428       0.89295190       1.53092726
Cl       7.03464997      10.87299999       2.00655998       0.87963894      -1.32477952      -0.23808916
Cl       4.96421003       0.23731603      10.48549996       0.88731026       0.21121016      -0.60177543
Cl       5.38958006       0.36628402       6.13763003       0.31813605      -0.08638626      -0.23823059
Cl       3.22509003       9.75772003       3.51200000       2.45710681       1.08620394       2.11092772
Cl      10.12100005      10.65000002       5.45633003       0.24247268       0.61203812      -1.13453971
Cl       5.87194004       8.46874995      11.39589994       1.46553558       1.09214088       0.78648478
Cl       9.66446999       0.11151501       8.47796001       0.28590000      -0.38260870      -0.11391727
Cl       0.55238497       7.18381003       4.12873001       0.04616364       0.46528481      -1.14867742
Cl       0.12255325       2.81853002       0.26413504       0.10494724      -1.08579427       1.34999015
Cl       1.21523996       9.94857004       0.52150797      -0.18123680       0.66268080      -0.23989321
K        2.88670004       6.74531999       5.69292002      -0.01045512      -0.00924449       0.09048440
K        6.44746997       6.18866004       1.07826998      -1.25958292      -1.04291553      -0.96764790
K        3.60105995       2.38251002       5.40410995      -0.03879815       0.19487678      -0.94612183
K        4.47688002       6.87261997       9.95201995      -1.23800223      -1.14640961      -1.07074642
K       10.92549996       4.59045003       3.20979995       0.28778259      -0.06053285      -3.77977563
K        6.08391006       8.35886006       4.84257000       0.24668197       0.32580843      -0.00448563
K        2.34990994      10.81209994       6.76105001      -0.06535925      -0.17223204       0.08621413
K        6.65420001       4.79392002       4.47205005       0.69878928      -0.78031906      -0.47114610
K       11.26339996       1.85849997       6.52266994       0.18568389      -0.46102807      -0.00530659
Li       2.87562999       4.79268002       1.27638003      -0.37787551      -0.71249760      -0.23182593
Li       7.05439998       2.48142995       1.34055999      -1.61428253      -2.67510384       1.90828888
Li       7.53515999       6.13590005       8.25042996      -0.31637172      -0.25374000      -0.40010327
Li       5.54031005       0.08755327       3.19120003       0.69901305      -2.92423930       2.38794738
Li       9.98811004       9.43863005       7.18528000      -0.24142411      -0.10918840       0.08197959
Li      11.57720003       4.49432997      10.84750001      -0.06277907      -0.30692244       1.73614207
Li       8.96384999       1.39641997       9.95400995      -0.10009744       0.88928147       0.82898566
Li      11.13759999       6.73506998       5.89948006      -0.15400741       0.01819553       0.58107050
Li       9.44744002       0.53944300       2.22866005      -0.49177672       0.08593347       0.82608907
Li       9.82683998       8.62226005       1.74451000       0.00350301      -0.07629983       2.15853712
Li       4.18312996       1.71090001       0.04285324      -0.35521018       0.92126149       0.21554804
Li      10.82739996       8.23467000       9.67654000       0.64381291      -0.86645706      -0.52647648
Li       0.89429104       0.47488798       1.65985001       0.16282018       0.18052329      -0.26999912
Li       8.08734000       9.96938000      11.52960006      -1.03489817      -0.05159929       0.27464724
Li       4.36340003       9.93107005      11.03189996      -0.48204416       0.18251414      -0.33751426
Li       9.68776999       4.55590999       8.10369002       1.97570573       1.05436461      -1.21999802
Li       0.27452803      11.22689996      10.42700006      -0.14739626       0.36201471       0.05997077
Li       6.12105998      11.19510005       8.21702995      -0.94688818      -0.17916725       0.44683621
Li       2.47060005       4.47556005       9.23532000      -0.43212974      -0.27459765       1.04042891
Li       7.81523000       0.01111763       6.11069996       0.55952648       0.03687279      -0.56433184
Li       1.94948000       8.95990997       2.37934994      -1.89468818      -1.72820962      -1.39402646
60
Lattice="11.69144674 0.0 0.0 0.0 11.69144674 0.0 0.0 0.0 11.69144674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-465.42033951 stress="-0.007761411369110399 -0.001279238695279806 -0.0026942809949658205 -0.001279238695279806 -0.00961305535859683 0.0006025321787044767 -0.0026942809949658205 0.0006025321787044767 -0.017085541003794932" free_energy=-465.42033951 pbc="T T T" config_type=melt 
Cl       3.35898994       7.94419005       1.91438005       0.06162860       1.29017493      -0.59782970
Cl       9.17024997       2.71583001       6.62419005      -0.11176613       0.26161853      -0.04732544
Cl      10.92859995       7.39428004       2.62802000       0.65181954       0.14056803       0.12791733
Cl       7.62946004       1.83316004       2.80698998      -0.28579718       0.67498878      -0.50210545
Cl       0.89519794       7.22895001      10.98489999       1.03058442       1.60708764      -0.02679983
Cl       4.04848004       0.37994302       2.97481006      -0.63171655       0.22070628       0.57966999
Cl       3.04825000      11.35370002       6.27477000      -0.51752292      -0.73795152       0.40580634
Cl       4.14078004      10.43720003      10.11430004      -0.89899899      -1.04913515      -1.48767578
Cl       3.26014005       2.25887005       9.30347003       0.64083326      -0.22820401       0.24972676
Cl       4.45311002       5.98080003       9.56176004      -0.59480233      -0.01683257      -0.09988093
Cl       0.86499204       3.44221995      11.11570004       0.43646527       0.37752342       0.04996347
Cl      11.50533376       0.52658299       0.31957003       0.79254835      -0.71466966       0.02949449
Cl      10.32460005       4.05032004       3.30177995      -0.31997081      -0.89585097       0.47401822
Cl       5.23711003       3.05576000       6.21992999       0.24296935      -0.63959455      -0.70180518
Cl       7.55059001      11.30800002       6.26870998      -0.27009937      -0.27690528       0.28275296
Cl       7.75263995       8.60114004      10.24710002      -1.24972602       0.96522285      -1.08915713
Cl       7.24108000       7.32973005       4.50587995       0.49762615       0.78785878      -0.98700098
Cl       2.15737999       4.06504997       1.90950004      -0.76209649       0.62646389       0.73479483
Cl       1.77616997       7.71159000       6.54397001       0.37189363      -0.41417563      -1.33222032
Cl      10.09909999       7.66354002       7.95341998       1.21654004      -0.77735478       3.37371185
Cl       9.90621006       5.69337996      10.62400000      -0.58142731      -0.85867364       0.14669034
Cl       6.69398997       9.47560004       1.45784999      -2.05975646       3.77748682      -1.29828144
Cl       6.97471997       6.04942999       7.08802996       0.42829163      -0.19627291       1.96599396
Cl       5.40669996       3.11923999       0.20838496      -0.19462734       0.47389975       0.66123765
Cl       9.93055995      10.55410000       2.55830004      -0.29485348      -0.09419099       0.30746445
Cl       6.56682000       6.72979000       1.37921998       0.19675682      -2.60582452      -0.34115743
Cl       1.16228998       2.47432997       6.50807995      -1.10849643       1.01619380      -0.81984906
Cl       4.35324998       5.78824003       3.96604002      -0.04378256      -1.17195693       0.26590619
Cl       8.13608001       0.86349705      10.63290000      -0.47380818      -0.62092875      -0.15558440
Cl      11.37140005      11.25789995       7.09397997      -0.56753111      -0.61002837       0.36712097
K        7.02009997       3.27847995       8.67885998      -0.35587833       0.00441137       0.06604571
K       10.79949995       2.21644998       9.77946998      -1.55456493      -0.86886105      -1.67804801
K        9.53837002       8.76982996       5.91952995      -1.22736741       2.25179031      -3.92028255
K       10.50269995       5.85825005       5.71224002      -0.15507298      -0.86024055      -0.30306453
K        2.84170995       4.96855001       6.33291005       0.25701898      -0.39336996       0.25236160
K       10.03229997       8.54632995      11.65410005       0.56859871       0.22163151       0.68911661
K        5.10230999      11.56176171       0.52566498       0.76816387       1.64585084       1.37954589
K        4.46503997       9.12638004       7.34430004       0.65135036      -0.56865693      -0.20240796
K        1.25576999      10.64669999       3.47781000       0.04104776      -0.11078934       0.16869802
Li      11.08579999       5.35922006       1.94305005      -0.04740573      -0.05010983      -0.77768603
Li       3.09516006       3.46455003      11.00750003       0.90785657       0.29036693       0.49841697
Li       7.91194995       8.38476000       2.31683999       2.16529811      -1.94118915       2.12996680
Li       1.33809005       8.41151003       8.33510000      -1.05513328       0.25497336       1.27926990
Li      10.68430004       1.46916006       5.53725998       0.22141154       0.14386230       0.50456784
Li       1.04514005       5.24794005      10.29500000      -0.29598651       0.90507992      -0.90766623
Li       8.53224000       0.45285895       1.30695000       0.43164073      -0.45640674       0.07541246
Li       5.11727995       7.02976996      11.32739999       0.16006672       0.23830555       0.46095760
Li       7.28150996       1.67119001       4.90128000       0.25951129      -0.07679617       1.17181356
Li       2.59251004       1.43691002       7.55828006       0.20682270      -0.69052999      -0.36778992
Li       6.45037998      10.61960004      10.01979994       0.87244367      -0.15334814      -0.03732273
Li       2.17675997      10.02750005      11.14978377      -0.10890972      -0.12491202       0.34822410
Li       4.18252996       4.05490998       2.14904002       1.20158524       0.00942599       0.24560346
Li       0.94980097       2.27757999       1.19352999      -0.23004545      -0.35990288       0.58953433
Li       4.49186003       0.67591597       5.20994004       0.65692483       0.74644024      -0.56796274
Li       9.59351997      10.29000003       8.31829004      -0.13813354       0.19602239      -0.14131908
Li       5.19580999       7.64214000       3.25064005       0.68550875       0.29809859      -0.37786646
Li       8.07575998       6.60716006       9.40247998       0.29742940      -0.28289953      -0.63929427
Li       7.18407005       4.30638996       1.89356004       0.11662151      -0.14554978      -0.36003834
Li       6.28061000       5.22556999       5.23775002      -0.25702125      -0.05593096      -0.12967814
Li       1.65162999       6.82913000       1.56357001      -0.64495902      -0.37800953       0.01529537
60
Lattice="11.69144674 0.0 0.0 0.0 11.69144674 0.0 0.0 0.0 11.69144674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-461.90377784 stress="-0.024837144334393223 0.006810167380018232 -0.0067742025686160865 0.006810167380018232 -0.03178558011573752 0.002708082226186483 -0.0067742025686160865 0.002708082226186483 -0.019135690879505812" free_energy=-461.90377784 pbc="T T T" config_type=melt 
Cl       3.28720996       3.47300002       0.29805204      -0.51925724      -0.75695914       0.02340984
Cl       2.35266001       0.99333899       2.46182001       0.78582057      -1.43789733       3.28618221
Cl       6.92912005      10.58160003       9.35424996      -0.26138912       0.21429647      -0.13858349
Cl       1.41795000       0.07697555      10.58999999       0.94469334       0.49857644      -0.12179472
Cl       5.61474995       0.99542696       0.29130303      -2.39194703       0.76494208      -0.54476613
Cl       4.92529002       6.06341998       7.26599997      -0.17484282       0.18315801       0.08662289
Cl       8.29163997       4.97420002       6.71708000      -0.94219092       0.98116940      -1.70707984
Cl       5.62476005       2.98244001       3.86052998      -0.60096301      -0.22633407       0.20285824
Cl       3.69036003       9.28310002       0.02190030      -0.75286017       0.44554162       0.15651920
Cl       9.97268996      10.65559999       6.21367003       0.20197468       0.00838659       0.31691840
Cl       7.46508005       7.89842996       5.36326997       1.02616196      -0.02760663       1.38914126
Cl      11.03979999       3.56025995       8.04030005      -0.39126923       1.35655078      -0.60445461
Cl       8.30733994       4.30844006       2.40611003      -0.33549293       0.98499003      -1.07306809
Cl       7.49865999       9.10334999       0.80150900      -2.97404452       0.72717982       1.76200029
Cl       6.38836001       0.15592204       5.98664996      -0.05199046       0.41836561       1.31651406
Cl       4.16667998       2.51619996       8.52666996      -1.15124503      -0.08387880      -0.08158842
Cl       1.41265997       6.23121001       0.52053396      -0.04317077       1.49590952      -1.44024405
Cl       5.19090005       5.39195003      10.78830002       1.68016612       1.50067864       0.39192847
Cl       0.81248505       5.95908001       4.33719003      -1.11247507       0.51351036      -1.09999624
Cl       1.27225996       9.80025994       5.04521001       0.34600417      -2.95003436      -1.15732320
Cl       2.05462001       0.34381002       6.48869004       2.06400975       2.84049883       1.19568803
Cl      10.23379995       9.69156994       9.40497996      -0.50787309      -0.70431776      -0.02845285
Cl       7.14709001       2.14217001       9.65213995       0.59638886       1.31192609      -1.20038223
Cl       5.29417995       7.28638003       3.09777005      -2.40001215      -3.89231012      -2.57492977
Cl      11.26260003       3.10478995       1.55480996       1.98563508      -1.36212176       1.81727731
Cl       7.96674998       0.42439905       1.63916001       1.21713241       1.00359265      -0.23520447
Cl      10.92630001      10.07050002       1.78339996       0.00712041       0.47586101       0.15685888
Cl       9.26201005       7.11924004      11.22210004       0.82434162      -5.81974913      -1.51612368
Cl      10.05300003       0.95063305       9.73791998      -0.99731018       2.13903933      -0.93349433
Cl       5.19179001      10.47860002       3.68570006      -0.97382315       0.45416612      -0.68566780
K        1.74396997       8.80705997       2.09410998       0.43689584      -0.61693647       0.11279310
K       10.19000005       4.10813997      11.23829994      -1.15018099       1.02325599      -1.56121950
K        9.31541997       3.50845001       4.68863001       1.11835878      -0.87626496      -0.33806537
K        8.33211003      11.29069996       4.08954999       0.16437483      -0.53898297      -0.18115372
K        2.50830005       4.96731002       5.95791999       1.14132456      -0.95964814       0.97762316
K        8.80791005       7.02600006       8.21859999       0.22886285       1.33755100       1.12073993
K       10.10820002       7.68207997       4.32940995       0.43619276       0.19540300      -0.61527798
K        5.64091003       8.30291005      10.23570005       0.81612687      -0.65999500      -0.34310894
K        1.11474005       9.06450995       9.09649997       1.11828342      -0.29666480       0.35633121
Li       1.37469001       1.51853000       0.99818497      -2.22351726       1.52533564      -3.18515498
Li       3.21319994       5.46792000      10.20230004      -1.09416342      -0.34780401       0.43216110
Li       6.33028999       5.64256005       5.45207996      -0.13941176       0.23637653      -0.10220713
Li       5.28228999       3.35103006      10.23959996       0.12547943      -0.83485280       0.18202769
Li       5.88768000       1.61888002       7.53461002       0.15926190      -0.12514880       0.52288919
Li       8.14616002      10.39989998       7.61816002       0.28885444       0.33623561      -0.28508024
Li       4.94660996       6.11934005       1.38077997      -0.01459278      -0.26744039      -0.64049941
Li       8.05318999       0.36015899      10.91479995      -0.35254501      -0.10587723       0.15993515
Li       5.99139003       8.50790999       4.15941000       1.05864850       3.36587600       1.99395419
Li       0.92032695      11.29360002       3.65842999      -0.48533415       0.68433099      -0.85918742
Li       3.69132002       0.74262795      10.42389995       0.28214059       0.12850299       0.18106434
Li       0.47244598      10.93910004       6.52780997      -2.14612991      -0.66929719       0.40843884
Li      11.02690000      11.37749995      10.82679995       0.40008109      -1.67437077       1.49580414
Li       9.12910005       8.86172006      11.53969995       1.72553279       4.13167869      -0.17128669
Li       0.16050100       1.76289000       8.51924005       0.50286723      -1.15823237       0.54692039
Li       8.38387999       3.37557005       7.76436005       0.46326920      -2.27014890       2.25918232
Li       5.87003994      11.08369997       1.64554003       1.13164982      -1.43509983      -0.69917740
Li       6.61565997       3.08739997       1.82126002       0.05419194      -0.66787201       0.01258848
Li       4.36762006       0.83716300       2.76380002       1.25062584       0.75996400       0.18453381
Li       4.08350001      11.28419998       5.55428998       0.05169878       0.06266687       0.17498217
Li       1.81551999       4.58307998       1.55745994      -0.44613825      -1.33967095       0.90068438
60
Lattice="11.69144674 0.0 0.0 0.0 11.69144674 0.0 0.0 0.0 11.69144674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-464.2673459 stress="-0.01672806249451921 -0.0026953818536209167 0.0015796165086570213 -0.0026953818536209167 -0.0189875583909157 0.007298832187528074 0.0015796165086570213 0.007298832187528074 -0.01544952663685754" free_energy=-464.2673459 pbc="T T T" config_type=melt 
Cl       8.74682002       2.06915002       2.99624001      -0.62134106       0.37078279       0.45029164
Cl      11.01030001       1.35580996       0.68960794       1.08034695      -1.32239513       1.59127773
Cl       8.66182999       3.60645999       7.79634995       0.42583505       0.47067578      -0.35630461
Cl       6.49603005       5.22716996       3.02812995      -0.24269254      -0.42133351      -0.55777661
Cl       3.11037998       7.28302003       3.78131996       1.70239450      -4.98837578       3.56595107
Cl       4.83186999       1.44618005       1.19262998       0.17940812       1.98779763       0.01475388
Cl       2.66831001       0.90990403      10.75540005      -0.47012363      -2.41519490      -1.20581657
Cl       9.48959997       0.36060900       6.47296996      -0.16981862       0.72873022      -0.38598967
Cl       0.02145322       6.66638998       2.20923998       0.29041385      -2.04277255       1.87330795
Cl       5.93978994       1.99260998       6.04687003       0.32655872       0.22399160      -0.55906155
Cl       0.14966806       4.31605996       5.25175006       0.01848162       0.31611467      -1.19879205
Cl       4.62490005       7.88032996       9.24504004      -0.97820586       1.13454191      -0.97231182
Cl       0.85795601      10.14810001       3.46237998      -0.02881399       0.54873841      -0.34107588
Cl       9.80646997       5.31030994      11.62029996       0.66380486      -0.96653743      -1.46839650
Cl       1.19478004       7.59178997       7.76157000       0.35337843       0.23565804       0.11852149
Cl       7.57884005       7.14365003       7.19923000      -0.11487585       1.23520045      -0.35684431
Cl       2.13235001       8.09804002      11.07010001       0.91147987      -1.03175735      -0.80757875
Cl       0.82065702      11.26309996       6.76807002       1.06150358       0.09519080       1.80332648
Cl       6.19833004      10.35900003       8.64414995      -0.01107646       1.60321557      -0.33280832
Cl       4.25770000       9.93359002       5.84066998      -0.41913671       0.30027205       0.00689059
Cl       3.46785006       4.35576002       8.37584001       0.31769991      -0.03814518      -0.12088970
Cl       2.48504997       4.83609001       0.55513199       0.99442984      -0.59288888      -2.46720076
Cl       6.82021995       6.92201001      11.05190005       1.95031306      -0.78874088      -1.14015387
Cl       1.51188996       2.12827004       3.53813997       0.09301299      -0.19374622      -0.23180345
Cl      10.10589997      10.76089994       9.86791005      -0.24821933       0.63816191       0.61469159
Cl       0.58947795       2.83257004       9.35721000      -1.08570108      -0.57689256      -0.76749622
Cl       7.93539995       2.14386000      11.04990000       0.41588877      -0.43504291       0.73473554
Cl       7.49969001      10.55000004       1.53642995      -1.13940948      -1.42457101       0.39037962
Cl       3.62470999       9.93194995       1.73726995       1.61931108       1.61904282      -1.68544746
Cl       9.98361001       8.80707002       5.21141001      -1.04989808      -0.11364266       0.10768453
K        3.22659004       1.17041998       6.52752002       0.21868453       0.03189208       0.09830103
K       11.63830000       8.42685997       0.49881604      -2.33703352       2.48656360      -0.31781389
K       10.32460005       8.26818003       8.89937002      -0.52629936      -0.54121301      -0.86849002
K        0.40532095       7.10989998       5.08439004       0.49963870      -0.65273831      -0.55267323
K        6.18481999       2.42920999       8.94090003      -0.80269563       0.18678217      -0.36959492
K        7.18867005      10.10140005       5.43547004       0.36364311       0.10380322       0.29232516
K        0.65139094       5.50779005       9.89949998       0.09407881       0.24053949       0.23194529
K        4.68294995       4.49646003       4.98162000      -0.57338326       0.25227792       0.65668105
K        8.68280000       6.42985003       2.01759998       0.52631800       1.17929607       0.81414363
Li       3.49461996       6.27982001       9.52198001      -0.80740650      -1.18623246       0.21271195
Li      11.30909995       3.54825997       6.99052002      -0.81228132      -0.91600581       1.96852948
Li       7.12069996       3.23692995       1.71323000      -0.32457232      -0.35654890      -0.16924504
Li       8.18713001       2.95382005       5.30573005      -0.08719920      -0.72064472       0.55066426
Li       7.89618999       5.66012002       8.46947997       0.15673747      -1.28638721       0.83191971
Li       3.52016998       9.62900995      10.71900002       0.59200608       0.72144253       0.19235609
Li      10.33369997       2.82690004      11.25030004      -0.80622685       1.50809624      -1.60496298
Li       6.53533997       8.51988998       9.50012998       1.04343405      -0.64659475      -0.13990349
Li      10.73259998       2.89337995       2.66089997       0.72974479      -0.12822008      -0.01502094
Li       2.67655996       8.52981999       2.64666996      -2.69963049       2.55059702      -2.27853050
Li       7.63645994      11.43038468       9.73200996       1.16318285       0.41219321       0.41904939
Li       1.97700996       4.97972996       2.38593994      -1.02862386       0.81297868       2.52725327
Li       5.26424997      11.41819998       2.13719997       0.53429688      -1.06795056       0.35402837
Li       8.74947994       0.33219901       1.02534000       1.05831030       1.51026500      -0.37446868
Li       2.97326000       9.16027003       7.49751996       0.26119845      -0.37108462      -0.13292999
Li       2.83086999       2.59841001       0.08625330       0.51673652       1.26093503       0.66327447
Li       1.54755998       0.51217200       1.94258006       0.02833940      -0.49909224      -0.22872284
Li       5.78567996       7.34682002       0.91167598      -1.63192909       0.49536706       2.07431677
Li       0.14995321       0.42618305       8.92687006      -0.22717257       0.30658901       0.16340274
Li       0.39900897       0.52244095       4.94972000      -0.69254501       0.28673574      -1.01799570
Li       0.19195321       9.68016996       5.56378998      -0.25429951      -0.12971909      -0.29661452
60
Lattice="11.69144674 0.0 0.0 0.0 11.69144674 0.0 0.0 0.0 11.69144674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-462.4873009 stress="-0.023965292403797387 -0.001194936285516419 0.0030758206592350246 -0.001194936285516419 -0.02911555818153654 0.004746620198591279 0.0030758206592350246 0.004746620198591279 -0.01791538763414716" free_energy=-462.4873009 pbc="T T T" config_type=melt 
Cl       4.68729005       0.86515104      10.66630000       0.24186441       1.11427468      -1.57541068
Cl       6.49971005       5.12401995       4.97842005       0.11819216       1.42680264       0.48521386
Cl       8.52390003       2.23315998       3.08940003       0.80666561       2.68090125      -0.20858967
Cl       6.41036997       8.89772001       6.79186001       1.73845062      -0.10934719       0.93985191
Cl       5.87220999       8.98157001       3.25688994      -0.19590381       0.23217132       0.25750729
Cl      10.47250001       4.01857998       1.17839997       0.09060062      -1.93284209      -0.03475039
Cl       0.27618202       7.76523994       1.34611004       0.16488740       0.25834574       0.46119127
Cl       3.59059002       6.79404000       6.64565999       0.04834035      -0.51172138      -0.35055780
Cl       8.30376002       6.19142998       8.33177998      -0.03279603      -0.58662742      -0.06892216
Cl       7.16199999      11.20960001       0.63885502       0.09906725      -0.27536207       0.03543140
Cl      11.19820003       9.08744004       9.13303995       1.14447543      -1.84735141       0.51781136
Cl       3.52976995       9.86341001       5.52873002      -0.21026467       0.83038068      -0.06230818
Cl       5.21807998       1.84713003       6.21209005      -0.68410245      -0.51203413      -0.45188113
Cl       2.76412001       3.62315000      10.68449996       0.34216352       1.81759113      -0.10367237
Cl       9.17247006       7.34920005       4.02802001      -0.80596217       0.74546409      -0.37100796
Cl       3.87308998       6.45056996       1.76125998       1.88636468      -0.66191866      -2.11643184
Cl      11.23329998       3.20483003       7.06853003      -0.48907748      -0.21745328       0.25121473
Cl       4.58288005       1.47003002       2.69934005       1.24122182      -2.84124639       3.44368313
Cl       0.34486997       6.53073003       7.13023994      -0.91107096       0.13299427       0.04351325
Cl       4.92257995       7.07839001      10.63380000       0.43025496      -0.13989029      -1.32195919
Cl       2.58016995      11.29649997       1.36830005      -0.58480888      -1.02249540       0.94981031
Cl      10.87759999       0.56674802      10.86569997       0.99317372       1.13557341       1.06434918
Cl      11.65099995      10.15959995       6.01086003       0.71024062      -1.23253274       0.61241953
Cl       1.70543999       0.47053701       8.16000994       2.62957170       5.38141916      -2.06725111
Cl       0.52532897       4.62633996       3.86809002       0.16047459      -0.22527334       0.34292428
Cl       8.73458001       0.52945500       6.56640999      -2.20985602       1.91490914       1.86422662
Cl       8.92825000       6.23070003      11.44709995      -0.02392232       0.26004013      -0.16547509
Cl      10.89070002       0.69705399       4.31982004       0.87964208       0.93631078      -0.92567850
Cl       3.39874004       9.60968001       9.02680995      -0.03719361       0.47030082       0.23234861
Cl       5.80099996       3.55416006       1.82408000       1.57566023       3.15284023      -2.78842658
K        2.40639998       6.73437001       3.64061994      -2.19407952       0.65038907       2.57331071
K       11.18769995      10.50389996       1.99733999      -0.12179186       0.34567138      -0.04515341
K       11.46909998       3.69885995      10.04209998      -0.19365318      -0.24768907      -0.03406650
K        9.37478996      10.79329998       9.45332000      -2.80607139       0.57611129      -0.79318290
K        2.13269000       4.27345001       7.11128004       0.62220532      -0.07328596      -0.00716149
K        7.06245995       3.45274997       7.46959997       0.68612912       0.21210736       0.19266965
K        2.02927997       1.13162998      10.88850004      -1.04581958      -0.69831018      -0.03037772
K        6.82869006       7.94851997       0.66478595       0.53264947       0.78760508       0.56064153
K        2.20240995       7.88486998      11.03700000       0.07016243      -0.07757592      -0.26273483
Li       9.51113000      10.75659994       5.69819006       1.85104582      -1.89664790      -1.48877605
Li       5.16884005       5.10018998      11.55349994      -0.92653696      -0.32819385       0.35197865
Li       1.75355999       8.20555000       6.50007003      -0.22322539       0.46639003       0.31074745
Li       7.90005004       7.38801997       6.67252997       0.03214479      -0.18951239      -1.10815301
Li       8.18651995       4.38291995       0.98814202       0.21696134      -0.39816245       0.39930794
Li       7.36325001       0.79796100       3.23581003      -1.92979803      -2.47785356      -0.22375095
Li       3.68893005       0.30447894       6.82954002      -0.11115496      -0.38966309       0.16400271
Li       3.35280996      10.23709998       3.31499000       0.46252121       0.23435425      -0.36526965
Li      10.58000006       3.08343996       3.44792000       0.22207927      -0.37400041       0.12487850
Li      10.80499996       6.00303997       1.17811996      -0.22746925       1.01339892       0.31884671
Li       4.62926002       8.44384998       7.62661002      -1.09901285      -0.44108183       0.56737723
Li       5.28519005       1.51518005       0.82995301       1.12906588       0.04870494      -0.72179738
Li       5.44208997      10.70950002      10.78920002       0.26901609      -1.10478895       0.13092069
Li       2.78933999       2.05689996       2.61303998      -2.75812077       0.56055021      -0.25300955
Li      10.33420002       6.35060996       5.33639005       1.40821407      -0.91275624       0.79025580
Li       5.55800996       6.50123005       3.16647999       0.44401633       0.16702956       0.78674994
Li       1.01450004      10.64309996       8.69774003      -1.92547889      -5.04480726       1.33543656
Li      10.13050006       6.99837001       9.21406004       0.34505758       0.30099159      -0.05103254
Li       6.02975995       3.47970004       3.94246001      -0.06884230      -1.50525244       0.02169669
Li       6.12980004      10.28029999       5.38846995      -0.65467375       0.70184510      -1.25528025
Li       0.39276597       1.19028000       6.59727996      -1.12189338      -0.27979102      -0.87824863
60
Lattice="11.69144674 0.0 0.0 0.0 11.69144674 0.0 0.0 0.0 11.69144674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-464.2935826 stress="-0.025487714930960505 -0.003604147467285275 -0.0017916898066872603 -0.003604147467285275 -0.014804718938013356 0.0008610617157246689 -0.0017916898066872603 0.0008610617157246689 -0.014306212656227023" free_energy=-464.2935826 pbc="T T T" config_type=melt 
Cl       9.47893000       2.78509997       7.06290995      -1.77284451       1.63019545       0.24980275
Cl       0.64045605       2.32355006       5.78837004       0.55297202      -0.79091070      -0.46401793
Cl       4.19129995       9.40016005      11.45150002       2.38037119       0.46203297      -2.51304925
Cl       2.15568006       8.73484997       7.87966998       0.16692039      -0.20515960      -0.11487520
Cl       8.78013995       5.09530003       0.52502406       0.80969917       0.07176702      -1.22051468
Cl       9.14859004       0.64228903       4.00442000       1.67716422       0.36281388      -0.23359871
Cl       5.70910998       0.94989696      11.23509999      -0.24689194       0.06600218      -0.37098163
Cl       2.80738000       3.95688001       2.01603999      -0.97906213       1.07749882       0.10433973
Cl       2.02118995       5.04663999       7.76132997       0.59603033      -0.13442265      -0.04882816
Cl       5.88544997       4.84249997      10.46339997      -0.89360031      -1.27146212      -0.00770072
Cl       0.58186203       5.81622994       4.61488995       0.79502600       0.15365613       0.79418268
Cl       5.76511003       3.62416996       2.50282998       1.05496931       0.98469803      -2.68798954
Cl       7.12424995       6.85218004       2.97215002      -0.77525017       1.78621567      -0.22585482
Cl       4.08534001       3.89231996       5.29689997       0.45410347       0.18904379       0.55608425
Cl       0.45913305       0.53682599       8.70884995       1.02096333      -0.08134018       1.14832266
Cl       9.45258005       5.20722003       3.91041995       0.57818548      -0.94056031       1.16865608
Cl       8.04950999       8.47837003      10.37139998      -1.57159422       0.02839302       0.44418701
Cl       1.17963003       4.21842001      10.85429999      -0.05284542       1.01716298      -0.55335209
Cl      11.28590003      10.17190005       0.07895328      -0.43499213       0.20461166      -2.20759811
Cl      10.57800000      10.01770004       6.92783995      -0.40126772      -0.09691878      -0.23976441
Cl       5.75422003      11.16510003       7.94160998       0.23452590      -0.34530471      -0.10353364
Cl      11.45619998       8.46701003       2.68962995      -1.34299534      -1.03365993       0.19542752
Cl       4.25539000       7.88721996       4.07178004      -0.89431506      -1.33193059       1.10810143
Cl       5.25675996       0.88193400       4.60904001      -0.55109617      -1.16110453       0.07186669
Cl       2.27504002       0.57464805       1.26831994      -0.01616681      -1.11992845      -0.38114171
Cl      10.43480000       6.95479003       8.44080003       0.34040468      -0.07091356       0.91405402
Cl       5.92365002       6.61116999       7.15948995       0.82674661       0.73297146       0.82857144
Cl       1.26391005       7.37117997      11.44059997      -1.08143858       0.12180393      -0.33252758
Cl       1.20197005      10.74709994       3.59710005       1.14985611      -0.34267369       2.09619626
Cl       7.29928996      10.15519999       1.47416002       0.69408444       0.46325159       0.11877822
K        4.77944998       9.90088004       2.59242995       0.49425978       1.87263863      -0.50041354
K        8.52283996       5.68804995       6.82871999       0.09952214      -0.22765436      -0.63509588
K        7.77037003       2.31723001       0.82183295       0.42239395      -0.02579723       0.27372233
K        6.56049002       2.57120004       8.57842005       0.12641998      -0.21597685      -0.26566800
K        3.31683000       2.36940005      10.33949998      -0.16453724       0.14540875      -0.51295316
K        0.25929805       1.96102998       0.03973455      -1.33351218      -0.82360302       0.03460187
K        3.49420994       6.56096995      10.23460000       0.58110539      -0.35385458      -1.02823742
K        2.95816003      11.58779996       6.68993000      -0.18312044      -0.18454669       0.29716416
K        2.48059004       8.79017004       1.32668996      -1.56729108       0.83334823       3.72728691
Li      11.56382478       9.19471000       5.00552994      -0.07200077       0.13836657       0.03351440
Li       7.21434996       0.37855326       3.93744006      -0.84797953      -0.56627039      -0.44619872
Li       5.82692002       2.91717999       4.26061000      -0.27924002      -0.15561770       2.35011026
Li       7.00775006       6.51729995      10.26250000       0.91614125       0.68531877       0.10087231
Li       0.56578898       6.51569003       7.27594004       0.31339205       0.48540340      -0.40696969
Li      10.71500002       3.84060004       5.36649003      -0.19382042       0.14751586      -0.52544323
Li       4.08577996       6.75975004       6.29495002      -1.39886745      -0.29922160      -0.76307325
Li      11.56969996      10.65689996       2.02289995      -0.68130423       0.17120653       0.39616668
Li       1.07768003       9.64490996       9.68936996       0.02265600       0.35403831      -0.02207555
Li       9.86598996       8.89210998       9.64663001       1.32391891       0.46346506      -0.80331875
Li       1.91284999       4.09912002       5.39484004       0.26914490       0.54009924       0.22767398
Li       7.99507999       5.07823999       2.46702001      -0.53125369      -0.76648228      -0.12904332
Li       5.03927006       6.10733001       2.42250997       0.07089433      -0.47648472       0.60644889
Li      10.60049996       1.16431003       7.35461997       0.85956336      -1.53935586      -0.35734287
Li       6.29613004      10.40040003      10.59829998      -0.22174239      -0.13558938       0.26286347
Li       8.83809994       8.42118003       1.73399003      -0.28130178      -0.17866036       0.09380685
Li       3.53772995       2.10783994       1.46811005       1.59810716       0.59733579       0.62645472
Li       0.44065332       6.35633000       2.38889005      -0.13573980      -0.51659674       0.08853477
Li      11.67829994       6.16380005      10.55440000      -1.29352501      -1.57283152      -1.09951885
Li       6.47961000       9.45341997       6.46599998      -0.17354809      -0.14471185       0.49047287
Li       1.54128997       0.99311603       4.18301001      -0.05639724       1.32328124      -0.20758480
60
Lattice="11.69144674 0.0 0.0 0.0 11.69144674 0.0 0.0 0.0 11.69144674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-464.73568388 stress="-0.017001928923665394 0.0021537317641528277 -0.0022031477704608383 0.0021537317641528277 -0.014281490825009548 0.0021842302056889434 -0.0022031477704608383 0.0021842302056889434 -0.008952953072575506" free_energy=-464.73568388 pbc="T T T" config_type=melt 
Cl       1.92730998       8.32336003      10.68670006      -2.72979552       0.01944762      -0.14823082
Cl       2.73109998       5.29727994      10.84979995       0.72392719      -0.57970756       0.44011427
Cl       1.67192996       4.98924002       7.30339003      -0.19392407      -0.47415924       0.79269121
Cl       9.63861003      11.62634046       0.87116699      -0.15620612      -0.39165177       0.52090709
Cl       9.25822998       5.31488995       8.84744994       0.76458458      -0.09402127       0.91345310
Cl       4.14934004       8.51342005       1.46652995       1.05699666      -2.03538481       1.55540252
Cl       0.31817594       8.31183998       4.75079997       0.00098635      -0.33492739       0.47882070
Cl       0.68449703       0.02444319      10.38979998      -1.53035238       1.29358031      -1.32733091
Cl       9.06056000       6.94281003       5.38530999      -0.26833663      -0.74291109      -0.57002726
Cl       3.19396997       7.49608998       6.03900999       2.53426417       1.03314981      -0.16626584
Cl       6.75282005       2.19834004       3.14567997       0.92424199      -0.70881348       0.91709346
Cl       6.94155998       7.92859997       9.91744004       0.15265593       0.23386878      -0.15558061
Cl       7.11408996       9.70509999       5.21903996      -0.35629860      -0.76324847       0.16229161
Cl       5.97025002       0.32781601       0.25732898       0.73941333      -0.11107163       0.16851745
Cl       1.24281002      10.50070001       2.59717995       0.44997660      -0.06713202      -1.24391178
Cl       4.11626997      10.06990001      10.49469996       0.43200856       0.91102217      -1.20842123
Cl       4.21271996       3.68561997       4.25259995       0.12013932       0.31112224       0.19142647
Cl       4.29549996      11.25359996       3.37052005       0.36759994       0.25193198       0.03900927
Cl       9.20340995       0.59039702       5.11304998      -0.89853735       1.80152739       1.31215243
Cl      10.49540005       7.93118004       1.45555004      -0.68123713      -0.23461248      -0.64140204
Cl       1.66736001       6.20969003       2.52513001      -0.23000040      -0.20613939       0.04837679
Cl      10.74020000       9.16996002       8.68208004      -0.90655243       0.51332470       0.30143911
Cl       5.56217995       4.62304005       8.36185997       0.64919192       0.71543954       2.21220413
Cl       7.85467004       3.10258003       6.42213005      -1.50766306       0.39521696      -0.38219445
Cl       8.02699004       3.07305001       0.02885320       0.43461242       0.42736408      -0.15101803
Cl       9.55245003       1.51834995       8.77290995      -0.14314921       0.14779324      -0.28788423
Cl       5.51530999       5.25168996       1.38914006       0.31757325       1.97242225      -0.40251768
Cl       2.73062998       2.11365001       0.88896605      -1.87160843       1.67930785      -5.05998930
Cl       0.73470396       2.03271000       4.31759996      -0.48221032       0.03972077      -0.09846537
Cl       3.72836004       0.58189605       6.88247995       0.45508529      -0.15429415       1.10883060
K       10.28610000      10.53110000       3.75333999       1.30534291      -2.10895235      -1.39974824
K        8.15945998       6.01324999       0.43272698      -0.12256397       0.25871763      -0.50103418
K        3.36801001       1.79987999       9.77644996       0.27831438      -0.21406164      -0.35509430
K        5.05978995       9.34224997       7.70565998       0.24957435      -0.00695131      -0.17122943
K       10.46769997       3.56628000       6.70042997       1.63512582       0.24106490      -0.08988279
K        0.05393042       5.89734999      11.09790005      -0.34398665       0.34662817      -0.28808433
K        5.78389000       7.10524000       3.84499006      -0.05484431       0.00375491       0.45075622
K        0.07706885       2.39000003       0.98573803      -0.84026179      -0.36164215       0.62009465
K        1.65290997       9.18374003       7.58215002      -0.33757479       0.22071496       0.42488466
Li       2.91034997      11.43796869       5.18011995      -0.45060021       0.23778928      -1.48328908
Li       9.93836001       0.38369902      10.49809995       0.53422143      -0.12805560       0.12736187
Li       6.87372001       0.09315324       5.38513006      -0.12900671       0.87311509      -0.18914862
Li       3.70127002       7.49512006      11.43060004       0.38000250      -0.32241842      -1.14451036
Li       2.62238998       8.33904995       2.92609004      -1.45771928       0.41051468       0.68244065
Li       7.98433006       0.55779904       2.37648998      -0.38332186      -0.10567657      -0.67586486
Li      11.27274774       9.15049002      11.40450006       0.36944350       0.33534960      -0.40789897
Li      10.41980000      11.59857187       7.45707995      -0.25816460      -0.36656016      -0.17427495
Li       8.52313003       6.84073002       7.59086003      -0.12546836       0.70446464      -0.28918959
Li       3.64815005       5.21007005       8.92211000      -1.00935157       0.32853959      -0.83647768
Li       7.21871005      10.09720001      10.51290004      -0.64628867       0.23306551       0.54429728
Li       1.64438000       6.31429002       5.52024004      -1.01764172      -0.69669426      -0.69406384
Li      10.49550001       7.00883000       3.42144998       0.53215345       0.30259891       1.08974448
Li       4.35026995      10.41589996       0.99606800       0.76014121       2.20275708       0.09581321
Li       3.40357002       5.58004004       1.34923002      -0.53923538      -0.55882052       0.38120060
Li       8.09916006       3.55065999       9.38873996      -0.38554484      -0.50718172       0.04101563
Li       1.91482000      10.78000002      11.55769998       1.49120838      -1.38627706       1.51673895
Li       3.56457994       1.63906998       2.32832005       2.78912709      -1.84405655       6.03617108
Li       8.52490000       3.06188000       4.12886996      -0.21544452      -0.42340337       0.72253122
Li       5.54258999       3.77757004       6.62804998      -0.11618927      -1.22637292      -2.85282622
Li       5.80604997       3.33006998       1.72111997      -0.05883236      -1.29011526      -0.49992374
60
Lattice="11.69144674 0.0 0.0 0.0 11.69144674 0.0 0.0 0.0 11.69144674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-464.68946642 stress="-0.018182121584981253 -0.0032339097155299097 0.0023424274460615074 -0.0032339097155299097 -0.010243120344500787 0.00022396937100531685 0.0023424274460615074 0.00022396937100531685 -0.022700291027739357" free_energy=-464.68946642 pbc="T T T" config_type=melt 
Cl       0.91336002       4.96451003      10.81999997      -2.63155855      -0.14026796       0.40960084
Cl       4.70269002       0.56152604       1.99626005       0.19941310       0.64414765       0.32158583
Cl       9.19542002       8.40526002      11.18329999       0.24666218       0.32823337       0.15561662
Cl       0.94278201       0.16891405       5.31959003      -0.64496448      -0.24644648       4.13846605
Cl      10.03899999       2.80413995       3.14755001       1.41979084       1.86603845       2.93037230
Cl       6.02611000       6.80558004       0.58126798       0.65362313      -0.48736041       0.94196867
Cl       1.62500003       1.10596994       1.28008996      -3.17200406      -0.16420814       1.91338119
Cl      10.76669995       4.06320004       7.17624999      -0.24796020       0.25565203      -1.12863150
Cl      11.10100004       7.00993998       2.36434000      -0.76542937      -1.90966442      -0.55924550
Cl       6.67014001      11.37279998       4.88051997      -1.58445309       0.01000577       0.92761046
Cl       8.53248997       1.21639004       0.15221901      -0.49026759      -1.04731334      -0.37434929
Cl       2.85563996       5.74771000       9.07293995       1.00290164       1.73759669      -2.06123341
Cl       3.44352998       4.78570000       3.69994994       0.81260658      -0.19162840       0.50136907
Cl       9.70226002      10.62790003       3.94636004       0.41277400      -0.38950282       0.20687450
Cl       6.00083999       7.78524997       9.15721997       0.40400582       0.41886126      -0.24870942
Cl       9.83091995       9.11313000       7.58264994       0.15197059       0.41500224      -0.04079501
Cl       2.88728005       9.21091001       7.61613004       0.24071065      -0.70363430       1.13580049
Cl       6.80643995       3.47538005       2.91701000       2.69465525       1.70319127      -0.23194423
Cl       7.86900995       5.89751999       6.21542001       0.24184734      -0.19020536      -0.52407807
Cl       0.72113802       9.43039004      10.74350003       0.42567974      -1.13832649       0.62739421
Cl       5.14483002       4.19500999       7.31505997      -1.57903877      -0.89582056      -1.50479523
Cl       3.86886995      10.87949997      10.90230004       1.32693843       2.16064412      -0.34682610
Cl       0.66272896       6.32743003       5.80253996      -0.19693214      -0.45391649      -3.19657930
Cl       4.68160999       3.92085001      10.71079999       0.80632711      -1.61557016       1.21870055
Cl       7.87985003       4.86311000      10.33549999       1.44318215      -0.32086045      -1.34307212
Cl       5.29295995       7.73062005       4.42155995      -0.86606810       0.54905069      -0.38866639
Cl       3.09430003       7.38595994       0.39832595      -1.46176903       1.38805965       0.87185669
Cl       9.14989002       1.29119005       8.27948004      -0.09915229      -0.24845491      -0.34384317
Cl       1.71165002       8.87616998       3.20168995       0.16769817       0.97249567      -0.19229091
Cl       1.85132995       1.86974994       9.47943004       0.20303486      -0.28270413      -0.36738064
K        5.77514000       1.91014997       8.99916003       0.22242393      -0.74466536       0.01099876
K        0.47817398       7.36099005       8.00576995       0.52843737       1.11597569       1.89997287
K        3.14740995      10.52890002       5.29685998       1.73963914      -0.51875332      -1.00121303
K        1.94814998       3.83243999       6.58801999       0.38136450      -0.09522409      -0.01463338
K        1.53967994       4.42754995       1.77980004      -0.67925209      -0.06007378       0.01767910
K        7.29545996       8.87932995       5.90393999       0.58817637      -0.14746975       0.88907699
K        8.33682004       1.71236004       4.98783997       0.16017506       0.75922683       0.70740130
K        7.16720000      10.62760003       2.34982004      -0.17972104      -0.22213869      -0.45549899
K       11.54770005      11.49970000       9.39566995      -0.38596021       0.75168177      -0.59139310
Li       2.69405002       3.77100003       9.85122998      -0.44921183       0.21079543       0.10206751
Li      10.18240003      11.20550006       6.43573001       0.05629922      -0.33680278      -0.18908120
Li       8.11922001      10.46320005      11.27719996       0.38021453       0.31399624      -0.53926107
Li       5.09639002       2.73312003       3.00416997      -3.06923983      -1.43596310       0.02612839
Li       3.19355001       7.29494998       3.23091997       0.40994265      -0.33770858      -0.07651558
Li      10.48609997       7.96898001       4.01502999       0.36543052       1.30155432       1.17573598
Li       0.16200101       8.05194999       0.73200803       0.71422561       0.44353863      -0.24471917
Li       0.53419202       0.84995403       3.69226001      -1.07869579       1.33599349      -4.13141368
Li       3.19920996       1.39720002       0.25232702       2.31236342      -0.04243487      -1.50862761
Li       9.83519001       5.12087004       4.99027997       0.33373514      -0.20292103       0.58496714
Li       4.10353997       5.87093001      11.17359994       0.52151815       0.49512783      -0.52277955
Li      10.51230003       6.88690995       9.96295005      -0.24174171      -0.05481428       0.55414768
Li       2.65616996      10.09979995       0.69021695      -0.89611986      -0.49602852       1.27264680
Li      10.43930004       3.52981005       9.06919004      -0.29623971      -0.77361357       1.28440539
Li       9.97747995       2.05188000       1.47082001       0.15913871      -1.31582099      -2.93766798
Li       6.73782998       4.83489994       8.22058006       1.88824944       1.32064128       0.76688689
Li       7.51632998       7.07642000      10.72029999      -0.57064472      -0.07947820      -0.13292912
Li       6.81461998       4.44066997       0.41560205      -0.76271003       0.12996009       1.00262184
Li       4.47573005       7.20176997       7.79735997      -0.99568102      -0.24197379      -0.24007913
Li       3.49960005       9.09833003      10.16329994      -0.42911461      -2.10498382      -1.21039593
Li       5.84517995       5.69791998       4.57351006       0.15877478      -0.99071712       0.05331467
60
Lattice="11.69144674 0.0 0.0 0.0 11.69144674 0.0 0.0 0.0 11.69144674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-464.97285364 stress="-0.025193809213022316 0.007660168011858684 -0.0016823813398638254 0.007660168011858684 -0.0091005193189747 0.0010822806908355558 -0.0016823813398638254 0.0010822806908355558 -0.024584039742342995" free_energy=-464.97285364 pbc="T T T" config_type=melt 
Cl       5.62523005       0.65886201      11.31260002      -0.28155016       1.30301206       0.65982629
Cl       7.35814996       1.71490994       8.34461999      -0.00062871       0.18690190      -0.38400473
Cl       8.23217996       5.73385996       1.39757006       0.38585459      -0.53251374      -1.32573793
Cl       2.09512000       2.00278996       0.92058697       0.79410947      -0.43593220       0.00270921
Cl      11.33902176       8.92432997       7.46300003       3.13569365      -0.58645105      -0.29928307
Cl       5.62180995       7.36834000      10.33820001       0.31674451       0.32628816       0.19549425
Cl       5.00820997       9.99281001       7.42115996      -1.27139848       0.98083409       0.43591146
Cl       4.68237999       1.81752998       3.72299998      -0.04596723       0.17864066      -0.08704707
Cl       9.39235998       5.70995001       9.66660005      -0.18851290       0.10366189      -0.36890480
Cl       9.39096999       8.36470005       2.89964995      -0.49345435      -1.31700520      -0.36299303
Cl      11.57480001       6.03690004       4.93740996      -0.43066608      -0.29213431      -0.28491506
Cl       6.27614994       6.95778000       6.98301996       1.45937603      -0.57670111       0.06348081
Cl       0.91733196       6.74601001       1.93857995       0.83528609      -0.10563576      -0.30188234
Cl       2.81862998       5.87155001       6.65953002       0.00255110      -0.20549880       1.41927793
Cl       7.83738003       1.99619995       2.42684995       0.06489098      -0.65491026      -0.06684407
Cl      11.01379996       8.59774005      11.10800006       0.82066544       0.84294236       0.65931415
Cl       7.34635002       5.36080998       4.35018998       2.15138786      -0.38004746      -0.71689958
Cl       6.89968005       9.56869003       2.18013997      -1.68685916       1.02592820      -0.49671396
Cl      11.13189994       3.76715998       0.64799902      -3.46947474       1.33635921       3.30415463
Cl       8.32713006      10.36300002       9.66422002      -0.89827348       1.26473516      -0.81995938
Cl      10.94179994       1.54425995      10.02589996      -0.34528633      -0.18797004       0.05941064
Cl       2.96408000      10.46170004       3.05444003      -0.09792797      -2.52249430       0.24088584
Cl       1.22214001       4.97508998      10.15869994       0.39818448       0.41929506      -0.93663137
Cl       0.89525897       2.59424996       7.19453004      -0.06284290       0.12941201      -0.33351665
Cl       3.60606996       2.44043004       8.94509995       0.85864357      -1.34984453       0.66837391
Cl       4.27506998       6.02188003       4.24324995       0.26988864       0.24393453      -1.32461090
Cl       4.27027006       4.77708995       1.08575005      -3.03948899       5.36752568      -4.91973331
Cl       0.05935327       0.80945498       4.26875005      -0.03377344       0.02516280      -0.02723233
Cl       2.48027004       8.79411006       9.49586997      -0.03112544       0.21339326      -0.74863702
Cl       8.64603005       8.94843002       6.55636002      -1.82187103       0.10673728      -1.81977026
K        6.31799995       9.59408000       4.93547000       0.02475656      -0.38501556      -0.35500201
K        8.99426996       1.51670999       5.79810995       0.15592651       0.18575341      -0.10759630
K        2.86691005      10.85949999       6.00787006      -0.84699927       0.55353055      -0.58181269
K        2.03556003       3.93621000       4.37427997      -0.10967288      -0.03169757      -0.11539541
K       11.10819998       0.60280000       1.36042995      -0.13021911       0.09801155      -0.04249560
K        3.04259005       8.56335001       0.51037795       0.16072089      -0.25650537       0.69502455
K       11.15479998       9.61627995       4.16613995       1.51057408       0.41392823       1.20067131
K        8.49221001       8.79947000      11.68854761      -0.99391825      -1.48253374       1.16623178
K        1.24679003      11.57410004       8.79841005       0.09599798      -0.00625807       0.12682500
Li       6.23423003       0.29758006       1.57166996       0.55687969      -0.31319148       1.40217103
Li      10.66530003       3.91794001       9.63061998       0.11940335       0.17855835      -0.04283475
Li       2.88723995       3.99619004       7.88404995      -1.25119676       0.68796881      -0.32116579
Li       4.38845001       7.33176997       7.39346994      -1.56880600       0.42815966       0.82267380
Li       0.35635331       7.63021005       9.63643998       0.58643756      -0.42702420      -0.64342616
Li       3.01539002       0.67855298       2.84566002      -0.29991671       2.35531637      -0.60322658
Li       0.66941296       3.07483997      11.16769997       2.54645381      -1.64301650      -1.97304693
Li      10.40109999       6.59211994       1.92450999       0.09808742       0.07659640      -0.37267829
Li       4.94893995       3.55022998       1.99204996       3.42277215      -5.72651420       5.06618197
Li       9.05306005       3.76956000       2.12720998       0.18348949       0.22873118      -0.37647260
Li       5.43739001      11.04730005       9.83481004      -0.08244560      -0.99223372      -1.60472179
Li       9.43726999       6.04135003       5.03364004      -0.75982416       0.44806787       0.12177394
Li       7.20552000       5.73299000      10.08880006      -0.05204090       0.23071070       0.00286126
Li       9.60410003       9.66807002       8.10495995       0.03801205       0.51913358       1.29319053
Li       0.95652098       6.82946999       6.57021999      -0.55378192       0.58990272       0.50527527
Li       8.79385998       0.91195401       9.74559004      -0.15459316       0.06873119      -0.00059954
Li       6.72813999       9.36342996       8.14479996       2.11616945      -1.52404822       0.40989928
Li       2.08961999       5.21390999       0.52738105      -0.39086776       0.20413966       0.42073515
Li       6.99189003       7.12061999       2.39839005      -0.35673211       0.32279144       0.76062305
Li       5.80852002       5.18664998       5.61635998      -1.11035533       0.22913813       0.70674129
Li       4.19561000       2.57381997      11.02280004      -0.24848608       0.06124329       0.35607296
60
Lattice="11.69144674 0.0 0.0 0.0 11.69144674 0.0 0.0 0.0 11.69144674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-464.47333859 stress="-0.020957727558921575 0.005810811791368764 -0.0022122362191443106 0.005810811791368764 -0.024640562468254936 0.00012616871159876558 -0.0022122362191443106 0.00012616871159876558 -0.017195940324134334" free_energy=-464.47333859 pbc="T T T" config_type=melt 
Cl       0.18013199      10.27299997       3.02551002      -0.33936828       0.26784601      -0.17077882
Cl      10.01750000       3.97347005       4.16367995       0.29588753      -0.29815631       0.19870765
Cl       8.39938998      11.32390004       2.35859003       0.14916110      -0.47795019       0.69755461
Cl       8.38521001       4.15892002       7.03736999       0.33461469       0.17311491       0.45501824
Cl       2.58055998       2.17822000       4.51696005       1.89681577      -1.68030656      -0.27137241
Cl       0.52151195       8.37103004       9.37416996       0.22125710       0.51722797       1.42931980
Cl       0.52756098       2.97252999       7.73830998      -0.37486792       0.96270905      -0.33427138
Cl       8.76163998       0.23481406      10.76750000      -0.47917794       0.21248203      -0.07141201
Cl      10.82709995       6.79822998       6.99350999      -0.26762911      -0.93591695      -1.03277631
Cl       3.91180995       9.58399998       3.71242004      -0.19361012       0.27088025       0.15913813
Cl       4.96793995      11.51546872       7.96922997       1.37889525      -2.40116739      -2.98111981
Cl       5.56998001      10.07630003       0.47299396      -1.23034024       4.21971414      -0.23558829
Cl       8.09969997       8.51872995       9.67428005      -0.04514791      -0.12921220      -0.17342140
Cl       0.74733201       3.32841003       1.93216999       2.31011027      -0.87202359      -0.53789134
Cl       9.31727997      11.59678226       7.01776004      -1.87629759       5.00557316      -0.47513851
Cl       1.48473996       4.77079001       5.25583002       0.14261565       3.41940936       0.13528439
Cl       7.11836997       1.93814000       4.39519995      -0.75571243      -0.96654654      -0.04615203
Cl       8.03833998       3.50366002       1.02167005       1.17824563      -0.80288372       0.92090033
Cl       2.08212005       0.57069003       9.87993996       0.23476384      -0.45210201      -0.07336100
Cl       1.42228998       9.29868004       6.64886006       1.31083360       0.42467006      -1.01581375
Cl       3.80513999       6.27428995       0.29170101       0.12055778       0.95887977       0.72211987
Cl      10.19139998       5.49953998       9.58133000      -0.41318158      -0.76850680       0.94618354
Cl      10.39950002       5.92536995       1.13044002       0.64417302       1.18550853       0.59080401
Cl       6.96055005       8.56494005       4.87980995       2.38489430      -0.88763401       1.49857124
Cl       5.27314003       3.99127999       7.32874001      -1.08279493      -0.28312808       0.04383406
Cl       6.78397004       5.48140000      11.28680004      -2.43221109       0.53140572      -3.24162190
Cl       2.94128004       5.32468995       9.02314000      -0.94756336       0.28647502      -0.78589733
Cl       5.00362997       2.37962995      11.38179994      -0.36030865       0.10452200      -0.12629564
Cl       7.23441997       7.73791996       1.66439003       1.95535875      -0.64220285       1.68916773
Cl       5.20129995       5.68049002       4.19587002      -0.04236755      -0.62097907      -0.50942111
K        9.93519000       9.26767000       0.27382000       0.11146717       0.54272635       0.97638055
K        1.18089002       0.61221805       6.42991001      -0.07024435      -0.78126279       0.21545377
K        3.01449995       0.86369499       1.22403005      -0.30279233      -0.30818199       0.30798262
K        7.16554998       3.01032996       9.49485995       0.26158490      -0.10947577       0.17483748
K        0.47146800       4.79242994      10.92440003       2.37751437      -0.32102929       0.71670562
K       11.02909998       1.72199999       9.88109005      -0.27708103      -0.32825265       0.26767423
K        5.21552002       7.42130003       6.48867005      -0.90946220      -0.51474067       0.96041256
K       10.32849997       9.54124997       6.99050003       1.58404152      -4.52008324       0.03248953
K        2.60588996       6.30064002       2.69129002      -0.46639047      -0.04640086       0.79223927
Li       5.90885999       8.28457997       0.33463995      -0.68751291      -3.58196054      -1.50067275
Li       3.79920004       4.60213002      10.83480006       0.60653916      -1.03085915      -0.66824512
Li       1.06501001       5.47184002       7.24269003       0.13931034       0.31882885       1.09940590
Li       0.72634598       3.14481001       4.49554997      -1.78522638      -0.86681091      -1.39708034
Li       4.34631006       0.96188104       9.26832005      -1.78355991       2.56199761       2.92656094
Li       7.78888999       6.66905001       3.61462004      -0.29301429       0.05664554       0.18754199
Li       5.90041000       4.55174000       1.32567000      -0.08549655      -0.13172453       0.32677669
Li       2.38786003       9.63638000       8.74496997      -0.48319991       0.14632127       0.12118322
Li       6.93021004      10.61140001      10.43990005       0.30097310      -0.12823538      -0.16007428
Li       9.33954995       0.24641396       4.62058006      -0.70236228       0.16871436      -0.30995691
Li      10.50530001       4.34804004       6.43653999       0.04882191       0.20572619      -0.21234643
Li       6.13737002       9.74518002       3.62050002      -0.50697392       1.27730321      -2.25726788
Li      10.21839998       7.68693999       9.75477998       0.05861811      -0.25987674      -0.61930357
Li       7.67924000       1.44423004       1.31759004       0.00276219      -0.67854177       0.07007481
Li      10.55530001       3.86238997       1.90669994      -2.32389827       0.37987126       0.59487102
Li       8.63295995       5.83963002       8.49551004      -1.61459090       0.65100004      -1.42564084
Li       8.45021995       6.09773005       0.35108199       1.06746716       0.51422309       0.66785641
Li       6.71747002       3.31816002       5.94764005       0.17936002       0.24942069      -0.39293060
Li       4.99987000       0.46626495       5.49921999       0.26720905       0.33052075       0.03393581
Li       3.43229999       4.09476998       5.59634996       1.35813855      -0.31571875       0.29649438
Li       1.70560004       9.27542003       4.08641001       0.21039259       0.19815416       0.77037138
60
Lattice="11.69144674 0.0 0.0 0.0 11.69144674 0.0 0.0 0.0 11.69144674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-466.33340705 stress="-0.015411725585953578 0.0023291928003147657 -0.0012962846873667225 0.0023291928003147657 -0.016918050468409385 -0.006629932169835343 -0.0012962846873667225 -0.006629932169835343 -0.013097990781766376" free_energy=-466.33340705 pbc="T T T" config_type=melt 
Cl       3.16272995       3.73360003       4.12816999       2.70778201      -0.77524858       0.34058441
Cl       4.57611000       5.61994002       7.16368005      -0.14179922       0.71394887      -0.64156286
Cl       5.06646997       6.74122997       1.90359996       0.54478168       1.69119714       0.26097513
Cl       2.10982001       7.57699000       9.30940005       0.28289493       0.09790522       0.61447269
Cl       6.05356000       8.59187994       5.34580003       0.72062220      -1.17336084      -1.17510827
Cl      11.65050002       4.56482998      11.16739997      -0.68687884      -0.10635654       0.15994469
Cl       7.97264995       0.33662002       8.17671994      -0.30155216      -0.55170373       0.42384667
Cl      11.47459998       2.01089002       7.42881997      -0.02523301      -0.32972259       0.39970815
Cl       0.11845330       9.70958997       7.18024999      -0.70074551       1.77480441      -1.20832504
Cl       6.98890005       4.04309999       1.82178999       0.37401660      -0.33765545       1.47343735
Cl       7.76637998       4.43527998       7.36283999      -0.21808712      -0.91872932      -1.69946583
Cl       8.28686997       8.11238998       8.43220997       0.58821917       0.77930609       0.10266365
Cl       8.25417999      10.14620003       0.35674100       0.80720579      -0.72183256       0.47160870
Cl       0.37278704       5.61256997       3.13651995      -0.12535350       0.49634483      -0.92129036
Cl       3.77408997      10.83529998       5.52189999      -0.23235150       0.21501047       0.45974438
Cl       9.30738000       1.96735002      11.45899997       0.88289920       0.34487156       0.45795609
Cl       8.71045998      11.66569995       4.98379999      -0.87059008      -1.80431841      -1.35442739
Cl       8.60843994       6.53867998       1.62053998       1.19945375       1.49249644       1.83324253
Cl      11.66220000       6.01080005       6.33443999       0.23768142       0.10790672       0.47998736
Cl       3.98523001       2.35632001       7.55269003      -0.39146813      -0.61138971      -1.80134638
Cl       5.26773998       8.84704004       9.86949997      -0.16768409       1.01033959       0.65167891
Cl       2.64668995       1.15184005       0.81112300      -1.36616217       0.78012184       0.32447297
Cl       0.34919101      11.39609998       2.72544003      -0.98661699       0.95720257       1.08757811
Cl      10.81310003       2.51516995       4.13460999       0.08872390       0.27344067      -0.29965632
Cl       6.26838004       0.81207105       0.89127394       0.66474727      -1.47310920       2.41328861
Cl       6.82717999       5.67313002      10.25900005       0.35250459      -0.10401247       0.38701438
Cl       5.57886002       2.34770997      10.20110003      -0.82150426       0.42356937       0.07866729
Cl       2.88976004       5.05760996       0.91804806      -0.08784106      -1.25170757      -0.34597694
Cl       0.29432001      10.27870002      11.03899994      -1.47740633      -0.33419440      -1.73693738
Cl       2.63331997       9.45281996       1.89407002      -0.21945121       0.08964646       0.99342787
K        0.86243898       0.35836903       5.65756999       0.80792736      -0.31577971      -0.99034929
K        5.18285996       1.36778002       4.08348002       0.16763315      -0.21657913      -0.10387287
K        3.99649005       5.49610995       9.86774005       0.07460536       0.17731331       0.31850023
K       10.24650002       4.05729001       8.64200001      -0.06935627       0.79078199       0.64310575
K        2.44004995      10.58419998       8.92513002       0.19255549      -0.13369383      -0.07991295
K        9.44119001       5.09984999       4.62950005      -0.10653892       0.19873027       0.05764874
K       10.44559998       9.20146005       3.22374001      -0.55747967      -0.61790986       0.05563862
K        3.15324001       7.61433996       4.54796004       0.14850271      -0.01084408       0.07589387
K        5.99768003       9.53690999       2.11430999       0.23668741       0.13028094       0.82930633
Li       5.64731999       9.85539003       6.86786996      -0.25052342       0.55838022       0.65565310
Li       9.54047004       9.67466996       7.50999006      -0.29064243       0.42636752      -0.19998504
Li       4.46133004       0.73916495       0.12215995       0.32499210       0.16506707      -1.33451407
Li      10.71609995       1.47506003       2.07529996      -0.19131128       0.15976782       0.19464581
Li       3.86940998       8.84978005       0.46665322       0.76378002      -1.41244762      -1.76648832
Li       5.81806000       4.72586001       5.71785004       0.23464749       0.00412674       0.31650016
Li       7.34355997       2.57000003       0.45765326      -0.17964439      -0.25943979      -1.13155438
Li       2.34055001       3.19561004       2.31176005      -0.61456060      -0.06490882      -1.49221674
Li       0.47220000       8.08634997       8.16632999      -0.28496023      -2.41845187       0.48965720
Li       7.53769996      10.26670003      10.06149994      -0.66587927      -0.21625873      -1.13380655
Li       1.42363999       4.40668995       4.69473002      -2.46550163       0.91999952       1.20998431
Li       3.19379997       2.62101004       9.40381000      -0.02098412      -0.00543269       1.05033337
Li       9.63080002       1.36551994       6.01052004       0.86476240       1.45451383       1.12428225
Li       0.95495795       6.00551996       0.72663803      -0.19303734       0.21109316       0.35730197
Li       5.97684002       1.61295000       8.11281005       0.59794666       0.13050329       0.34573383
Li       9.86363004      11.58629995      11.38810000       0.42767005      -0.63875037      -0.34646969
Li       7.57404995       7.17713001       0.03319015      -0.92630369       0.38799930      -1.37963484
Li       7.05043003       6.33449997       8.03484003      -0.73191385       0.27806473       0.39686483
Li       1.17306002      10.96240004       0.93806194       1.71280699       0.37205134       0.58216681
Li       9.53084996       4.79471995       1.11033003       0.71560145      -1.07355354      -0.77360747
Li       4.97116995       4.61001005       1.58775003      -0.35228890       0.26423809      -0.20100814
60
Lattice="11.69144674 0.0 0.0 0.0 11.69144674 0.0 0.0 0.0 11.69144674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-468.39341575 stress="-0.015511593826397696 -0.0011919217302312542 -0.004316436415447662 -0.0011919217302312542 -0.014134307719889555 0.005548469285216025 -0.004316436415447662 0.005548469285216025 -0.018585948729629598" free_energy=-468.39341575 pbc="T T T" config_type=melt 
Cl       5.02114001       0.01026228       4.23652001      -0.72306617       0.24839221       0.44050841
Cl       1.30330999       2.85189998       7.55949994      -0.49368013      -0.44959540      -0.35165033
Cl       4.67914006       9.70877999      11.22800001       1.62197438      -0.88759218      -0.52167508
Cl       3.40193999       8.17383999       3.46789998      -0.00875858      -0.16947770       0.26679236
Cl       5.74228002       5.25465994       6.22101004      -0.28962683      -0.92349060      -0.00605453
Cl       0.37585301       8.17620003      11.08600003      -0.12404126      -0.00629233       0.19300269
Cl       1.95830996      10.73500000       1.56738996      -1.41200290       0.31028382       2.40539207
Cl       3.96837001       9.17955998       7.54972005       0.09220234       0.27830098      -0.60086083
Cl       1.24382999       9.82484998       5.79934995      -1.36025661       0.11660730       0.93728241
Cl       5.46816002       5.12568002       0.73835298       0.46656016       0.10428717       0.89854126
Cl       2.48634001       3.93038006       4.62197999       0.25580297      -0.60351833      -2.09584710
Cl       5.97316002       1.23964994       1.19756003       0.08238612      -0.15511052      -0.28384038
Cl       6.74492996       7.09553996       9.18909003       0.89810518       0.36766325       0.27190072
Cl       3.87639001       6.14944003       9.76072999      -0.60002313       0.45904842      -0.16261262
Cl       5.84190997       0.41412402       8.55756005       0.21984422      -1.62933707      -0.34245825
Cl       8.65195995       0.21609804       4.12396002       0.75412312       0.32836190       0.15425800
Cl       7.12544002       8.80696995       1.90152998       1.12654037      -2.99668446       2.22790005
Cl      10.02330001       8.19916998       2.40626003       1.27312339      -0.55651321      -0.19052735
Cl       9.91031995       2.14354001       1.70450000       0.84576614       1.61122075       0.26073254
Cl      11.09430002       3.67294995      10.63160002      -0.50134099       0.33446413       0.34369584
Cl       7.05360005       8.68659002       5.60191999       0.46267962       1.00624535       0.70845158
Cl       7.86449998       3.60266998       8.69288001       0.05909144       1.51971156      -0.95622478
Cl       2.06327004       2.66953995       1.16057999       1.37444110       0.40597469       0.47804904
Cl       9.29361999      10.94470001      11.43590001      -0.29824227       0.16123730      -0.42241481
Cl      10.36989997       5.54919999       4.46661002      -0.28041488      -0.31871491       1.06621613
Cl       1.33804995       6.76745996       8.04716001      -0.98465207      -0.31652098      -1.31010207
Cl       1.08078002       0.06686362       9.99277002       0.54898570       0.98832906       0.24860587
Cl       4.54203996       2.92435994       9.12700997      -0.72470900       0.72758128       0.85449619
Cl       8.99112005       9.66174997       7.85852003       4.04067916       0.53225161       0.47423025
Cl       1.97602999       5.88510005       1.70271997      -0.75520745       1.11056687      -1.57139876
K       10.16879995       8.93761005       4.98394005      -0.13141335       0.15428302       0.75461149
K        8.28243003       3.10037000      11.33019998      -0.57061384       0.35468740       0.88737142
K        6.73724996       2.16490999       6.22043997      -0.48999721       0.24901247      -0.55861725
K        9.51760998       6.22969994       7.56559002      -0.10916448       0.02572078      -0.00076435
K        2.91885000       0.18389804       7.40085005       0.07007550       0.38005389       0.14705960
K        8.43536000       1.08784002       8.70076999       1.89635898      -1.93743660       0.18895473
K       11.10010003       4.96817004       1.86069995      -0.42043366       0.06583620      -0.49651847
K       11.10990003       2.41388005       4.40031998       0.24482583       0.22581529       0.39175186
K        6.00530998       6.85171005       4.11718997      -0.31733478      -0.39866336      -1.62477860
Li       6.49158999      10.15989995       0.89594795      -1.66723822       3.87600944      -2.30953829
Li       2.94641995      10.61369995      11.61808116      -0.49206511       0.55722168      -1.66000268
Li       1.47870998       8.06678001       1.72590996       0.05526581       0.52456919       0.10582153
Li       9.43790004       8.86822003       0.55946098      -0.04913286       0.08748065      -0.65328962
Li       3.32841003       4.84176002       2.68139999       1.02729139      -0.82916927       0.67212982
Li       2.46206997       4.37063002       6.53514004       0.18132819       0.73573909       1.80385567
Li       0.57927705       1.57487003       0.29544403      -1.00248751      -0.76639469      -0.46517212
Li       2.53213003       7.78706998       6.46915995       0.01795154       0.40237674      -0.17563200
Li       1.11553004       3.09188996       9.67595005       0.85881913      -0.42819321      -0.38668783
Li       6.99138998      10.63669995       4.54578999      -0.45881983      -0.48954289      -0.14366793
Li       0.18105328       9.90920996       9.62817997      -0.58532038      -0.81359219      -0.12035098
Li       5.90782997       4.74454002       8.25543998      -0.25694405       0.28933541       1.06264136
Li       7.12906004       9.64980003       7.90597994      -3.46210468      -0.50218885      -0.17943917
Li       1.67545996       6.52686004      10.11340003       0.04234568       0.23985688       0.55848183
Li       3.99972004       1.40189998       2.67214995      -0.00552676      -0.18293309      -0.39984714
Li       2.70924001      10.01740004       4.46167997       1.42697943       0.21672105      -1.41277237
Li       5.61376998       1.16326002      10.70670003      -0.69940035       0.17412167      -0.44221707
Li       3.80517998       4.52697003      11.05299998       0.29557197      -0.84454368       0.38167650
Li       4.76782997       8.15568002       9.16147004       0.16705593      -0.40930079       0.76339083
Li       9.76983997       0.18882096       1.66629001      -0.49448590      -1.86045759       0.58214064
Li       6.14368001       7.48367998       0.47321505      -0.63766954      -0.69410459      -0.68497994
60
Lattice="11.69144674 0.0 0.0 0.0 11.69144674 0.0 0.0 0.0 11.69144674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-463.69719267 stress="-0.02095597307070629 0.001435224999633199 0.004116145257884916 0.001435224999633199 -0.02321408732167664 0.0014047839674980233 0.004116145257884916 0.0014047839674980233 -0.018985893424665806" free_energy=-463.69719267 pbc="T T T" config_type=melt 
Cl       2.52387996       1.62378003       4.18359996       0.39557077      -0.22713997      -2.06347393
Cl       1.25993998       2.49062995       9.58247998      -0.31129340      -0.72380279      -2.07610305
Cl      10.46390002       0.78799100       4.36689998      -2.04010261       0.77790301       3.09797449
Cl       7.82745002       8.11982001       1.58219998      -0.04448023       0.48627272       0.10731868
Cl      11.50910004       7.25914995       3.75442004      -1.23234580      -0.97625276       0.29422072
Cl       7.68109005       6.58700003       9.69685997       1.52371909       2.38374957       0.49851187
Cl       8.06201995       4.24160999       5.74675995       1.66091310      -0.47185296       1.45850568
Cl       6.96326995       6.12036995       3.65495003       0.69600771      -0.52073572      -0.08637639
Cl       6.72654995       1.15408995       2.10240997       0.02700560      -0.48835636       0.75027778
Cl       6.26647995       8.47706000       5.74789005      -0.81889341       0.97548846       0.86909930
Cl      10.24060005       7.81205004       7.70239000      -0.33107609       1.46311263      -0.16174844
Cl       0.39971197      10.02219996       2.52383004       0.47871656      -0.20587460      -0.67418239
Cl      10.40750001       0.13983204       8.76047996       0.82843597       1.69067550      -0.62984420
Cl       4.86725006       3.66563005      11.68490000       0.05342948      -0.05130287       0.53716253
Cl       7.24241996       0.51088103       5.93677004       0.60218946       0.03582223      -0.87350448
Cl       4.22364994       8.98268000       0.72659395      -0.03644212       1.49772978       0.38161529
Cl      10.46039995       5.81451995       0.51007105      -0.11887890       0.86884035      -1.03882515
Cl       4.29767001       0.92281104       7.87249003       0.38979105      -0.20991055       0.57534348
Cl       7.06033000      10.41820002       9.16696000      -0.69719889      -0.27199575      -0.10354342
Cl      10.51119999       1.32623002       1.24213005       0.82604512       0.57704941       1.54225706
Cl       1.59787996       4.48713996       1.38357995       0.60787035       0.11769143       1.44495495
Cl       4.79110998       4.22152000       4.96504001      -5.16995241       1.14860372       1.56776222
Cl       8.07575998       2.69121005       9.17272002       0.92597872      -0.45989770      -0.53788623
Cl       9.34855996      10.32010001      11.56590001       0.30491175       0.03690984      -0.11814326
Cl       0.91992196       5.62771998      10.03130000      -0.39689952      -2.53169194      -2.86771873
Cl       2.74410999       1.05840995       0.06556856      -0.07927127      -1.64923116       0.56103891
Cl       0.90688705       3.76430002       5.96779002      -3.12758698       0.54921486       1.33873348
Cl       4.43261000       6.79738995       8.95098998       0.06685578      -2.04060973      -1.09125490
Cl       1.35640003       9.34339001      10.34590000      -1.14068984       0.06089344       0.65011115
Cl       2.01508000       6.51451995       6.25832996       2.18428684       0.43970807       0.00756489
K        3.97607000       9.11709995       9.63773001       0.05795257       2.49158213      -0.06449884
K        9.89551998       5.27827000       8.42240003       0.05992221      -1.35732180       0.34352846
K        1.76088995       1.45668996       6.67393996      -0.50971826      -1.61187021       1.48044079
K        8.92169998       8.56802998       5.10384004       0.69949069       0.05058926      -0.61506377
K        4.18883001      10.98662074       3.72397002       0.49763230       0.02724510      -0.07628179
K        6.16478003       4.67449996       9.43019000      -1.84697253      -1.87178447      -0.60412572
K        9.81872004       4.59385996       2.73327997      -0.08335530      -0.73830935       1.54456299
K        6.65288004       1.15605002      10.99319999      -0.68486237       0.02492138       0.35688904
K        5.05197994       6.78022994       1.83538995      -0.00256011      -1.64698801      -0.04812586
Li       1.49536001       8.12874000       2.99438996       0.69796978       0.25812295      -0.00141791
Li       6.82404995       9.86707002       0.59480703       0.28989656      -0.24085934      -0.05863466
Li       0.08635794       6.86671006       6.57170001      -0.61423350       0.21349601      -0.48153742
Li       6.45604998       3.79026999       4.51424997       3.83546218      -1.09993849      -1.75640799
Li       9.35775003       2.03708997       6.98489994      -0.37743709      -0.32322076      -0.17007267
Li       2.86804996       0.82069198       9.63641005      -0.15162413       0.31029428      -0.14167982
Li       1.28571997       7.16838995      10.96330005       0.91711366       2.85107695       1.38626759
Li       2.45525000       4.90041004       8.34636003      -0.24088089       0.46072320      -0.18963956
Li       8.45066995       6.60516000       0.18411901      -0.24164290       0.08547665      -0.55565599
Li       3.28530004       2.28777002       1.61839997       0.25367779       1.28748657       0.64045175
Li       6.70990998       0.83189905       7.97023999      -0.29439816      -0.05461450       0.12891783
Li       0.08014019      11.13480001       0.48855329       0.07443785      -0.27725967      -0.48789863
Li       8.40625999       0.68295306       3.68663000      -0.65142094       0.09734963       0.02840514
Li       6.65386002       8.29411996       8.06124002      -0.00717367      -0.19481680       0.25204726
Li       1.19003998       3.70243999      11.18359999       0.06421235       0.49696940       0.68477471
Li      10.94580006       7.94059995       1.12126995      -0.69259430       0.48539597       0.50170679
Li       9.33375006      10.16199997       9.08113998      -0.32262406      -1.26824552       0.58182613
Li       0.08776114       0.37244097       3.12006003       2.22675641       0.23783360      -1.87453163
Li       5.90979998       6.41021997       5.60473997      -0.26893258      -1.13710340      -0.23222885
Li      10.07639999       1.33188003      11.02740004      -0.44287105      -0.33322834      -2.54583820
Li       2.44259997       4.12122001       4.85103005       1.73216160       0.49598743      -1.38602707
60
Lattice="11.69144674 0.0 0.0 0.0 11.69144674 0.0 0.0 0.0 11.69144674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-465.3217214 stress="-0.014818007235772543 -0.002434059266232928 -0.0013773495327238769 -0.002434059266232928 -0.02085166888986226 0.0024000755722424286 -0.0013773495327238769 0.0024000755722424286 -0.019915114897924243" free_energy=-465.3217214 pbc="T T T" config_type=melt 
Cl       4.04518995       5.09098004       5.36277005       0.66883359       2.00257236       0.50959350
Cl      10.39000002       1.70438998       8.99621004      -0.82763285       1.76372361      -0.33013659
Cl       0.76918800       2.79594998       1.42486000       0.42862404      -0.17259344      -0.02099519
Cl       8.26867995       4.62319006       8.91567000      -1.75856369       1.13723000      -0.15669653
Cl       8.60916996       7.05355001       3.38119995      -1.60803829       1.70937268      -1.18122086
Cl       7.75745999      11.18040004       3.01939995       0.69373790      -1.32533140      -1.42163488
Cl       2.72086996       3.82821996      10.33790001       0.64241504       1.95504418       1.53935998
Cl       4.98526001       3.75301999       2.27061996      -0.17003072      -0.96400808      -0.03985457
Cl       9.80458999      10.46270001      11.23710005      -0.02818400      -0.15411106       0.02081601
Cl       7.13742995       8.18551004       9.78489002       3.28130186       0.41471462       1.39796062
Cl       4.84634002      10.16049996       0.54019196      -0.45159102      -0.40067227       0.52703934
Cl       4.18325003       6.95109003       8.29709999       0.91752301       0.02428055       0.30787293
Cl      11.54130004       5.93178996      10.85069996      -3.33744254      -0.39451115       0.50309138
Cl       2.30611004       8.25402999      10.73250001      -0.29658274       0.65719041      -0.68748073
Cl       8.53761000       4.78782994       1.30796003       0.54902252      -0.86984921      -0.18202686
Cl       5.69688003       6.48640004       0.21054799      -0.56048925      -0.17560070       1.06993400
Cl       4.15323996      11.62669998       4.49051002      -0.90492684       0.11316349      -3.06491717
Cl      11.39960005       5.18634998       4.63921003       0.69142210       0.57482194      -0.35430423
Cl       2.83477002       9.37089998       6.44810003       0.47103336      -1.78922752       1.33026424
Cl       3.39236002       1.84619998       8.10489003       0.78753030      -1.19377706      -1.09023460
Cl      10.13899997      10.38239999       7.08997998      -0.13437841       1.34670887       0.08359372
Cl      10.72020003       9.94377000       3.63158000       0.70320222      -0.09713982      -0.58742799
Cl       1.11581005      11.46149995      10.16019996       2.20875765       0.39998562       0.02035135
Cl       2.57601001       7.20396995       1.84148003      -1.13797890      -1.37808593       2.08907029
Cl       6.44395997      11.14079994       8.90327005      -1.34125249       0.41059666       1.14811071
Cl       0.79841100       6.36616999       7.63521001      -0.95680633       1.03056726       3.47290152
Cl       1.07607000       1.47174995       5.35402999      -2.13381468      -1.05140664       0.58544651
Cl       6.77939997       9.74662005       5.97558004       0.38308946      -0.67563597       0.29485757
Cl       6.49737994       1.22741005       6.21102999       0.93700400       1.37904989       0.00652177
Cl       9.26922005       3.20429001       4.45467995      -2.39882456      -0.26356214      -1.53020714
K        5.10848003       1.19114003       0.48908701       0.29496679       1.22346121       0.28522737
K        9.89052002       0.96831695       1.85447004       0.45587690      -0.04784171      -0.16966131
K        5.46485006       3.82742003       7.89449006      -0.18293850       0.05991446      -0.25081270
K        5.35641002       7.84819999       4.51991004      -0.68554335      -0.13369473       0.03408434
K       10.38859997       8.08071996       8.33020000      -0.53646004      -0.78662966       0.93320919
K        7.45483005       9.08457002       1.19940003       0.40434659      -0.60550722      -0.61611996
K        1.03797997      10.12470005       0.88452295      -0.26272148       0.02351997       0.80239470
K        3.03520000       2.89731997       4.62614998       0.79436665      -0.94685820      -1.10707115
K       11.29020003       7.25091005       2.17418002      -0.02599538       0.02076258       0.12885009
Li       2.05342000       2.05588000       9.64982996      -1.33111251      -1.13305957      -0.01002098
Li      10.77549999       2.74489004       5.63443999       1.81971097      -0.66353663       1.12499846
Li       3.18303998       4.58538003       1.34008999      -0.39507619       0.31040744      -0.52747794
Li       1.77511996       6.09135003      10.58049998       2.15066586      -0.39955423      -0.74260111
Li       4.10060004      10.92339994      10.38870005      -0.25177159      -0.31900891      -1.40430119
Li      10.95519998      11.46969998       9.27951998      -0.51163737      -1.15172144      -0.14902913
Li       6.05502996       6.55561001       9.76256006      -1.34293055      -1.32462849      -0.25616901
Li       6.69028004       4.93312002       2.81445999       0.67571153       0.32150676      -0.42486812
Li       6.92666005       0.83644000       4.03635998      -1.62123645       2.00683875       2.11781360
Li       6.12310002       8.91559997       8.31696002      -1.23588600       0.95622358      -2.15338063
Li       9.00564995      10.34409998       5.04478000      -0.28290964      -0.14970889       0.09342788
Li       9.08064999       5.94205002       4.84777000       1.16315250      -1.89661576       1.74952607
Li       1.39448001       5.84215000       5.98726996       1.80210558      -0.93583411      -3.24744424
Li       9.09214000       5.66429994      11.08619995      -0.31766762       0.38131617      -0.09242919
Li       8.43532001       0.04838774       8.33440003       0.35782130       0.20954106      -0.47560378
Li       2.25082996      11.00960005       5.61603005      -1.16271660       2.19477879      -1.16512256
Li       2.21319999       8.54510995       8.57221996       0.43306816      -0.46314145      -0.94805213
Li      11.02659999       3.86965994       2.52282001      -0.70999132       0.47317726       0.72431497
Li      10.04290002       4.10297995       9.49203997       2.53479242      -1.35254436       0.20824657
Li       3.83690998       8.02592004       0.58341196       1.77694610       0.35490244      -1.18325367
Li       4.74108006      11.65240000       6.32544003       0.87610349      -0.23997486       2.46167747
60
Lattice="11.69144674 0.0 0.0 0.0 11.69144674 0.0 0.0 0.0 11.69144674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-464.88470232 stress="-0.02080795675532554 -0.0027808507390248397 0.002612408529535323 -0.0027808507390248397 -0.008271509219366086 0.0006470784846943636 0.002612408529535323 0.0006470784846943636 -0.020614967607945765" free_energy=-464.88470232 pbc="T T T" config_type=melt 
Cl       3.27377005       9.83367995       6.06013994      -1.43759942       1.06398537      -0.56590909
Cl      10.55779999       4.17717001       9.51372994      -0.62731046       0.45857849      -0.60160537
Cl       1.94471994      11.64590002       0.12460101       1.17455833      -0.70734072      -0.66816372
Cl       0.56960296       5.51438005       6.49018000       0.38766758      -0.35506647      -0.29641168
Cl       5.01710997       5.09840995       5.42261003       0.90177926       0.33801225       0.22467742
Cl       0.01645326       7.83053995       9.30779996       0.17589031      -0.42008203       0.24024694
Cl       3.63022005       6.67750001       8.18187996      -1.87919512      -0.89993096      -2.68688539
Cl      10.19209995      11.10130004       1.94978000      -0.31781826      -1.80096316       1.69390984
Cl      10.69820000       1.71745996       0.11205328       0.14597400      -1.24296337      -0.16237259
Cl       8.45344000       4.51884997       6.57481006       0.11523034      -0.75418634       0.02702777
Cl       3.03666003       7.33411001      11.33070002      -0.38341487      -2.02214629      -3.20348908
Cl       4.50063002       6.54684002       2.27598995      -0.77637686      -0.15312901      -1.47362827
Cl       6.76356998       0.25793904       5.41108998       0.46555808       0.03533819       0.36990370
Cl       0.71830203       6.09244002       2.18753001       1.36486083       0.13861511       0.92527320
Cl       5.76498996      11.67669997       1.29082002      -2.13575476      -1.16533309       0.38248144
Cl      10.01569999       5.78976004       0.88380404      -1.66056049      -0.02475104      -0.79772152
Cl       6.36427995       8.21063005       5.37909002      -0.73394478       0.31933746      -0.23206834
Cl       7.43694003       7.49576005       8.09785997       0.25403106       0.33894121       2.11776978
Cl      10.85720005       1.68996004       6.56704997       3.40382393      -0.02455870      -1.65465921
Cl       3.62977005       3.04248003       3.63691001      -0.93550139      -0.39393104      -0.63969932
Cl       2.02615005       3.55013995       9.82856003       0.45761071      -0.73212698       0.47269447
Cl       7.22741995       8.39715995       0.50231097       0.34532497      -0.67224311      -0.18979798
Cl       2.09782002       9.41896995       2.86560996       1.72553784       1.45233386      -2.50048094
Cl       9.14255001      11.54699997       9.17125006       0.99702398      -0.25443249       0.23492605
Cl       4.88408001      10.29730006       8.98149004      -0.04835276      -0.75514864       0.74735785
Cl       9.48407997       7.58117998       4.85101005       0.52068750       0.04298211      -0.81025410
Cl       6.74518004       1.44228996       9.70896997      -0.07520693      -0.42808984       0.48307785
Cl       6.91390001       3.92301994       2.25579999       1.85569186       0.56168887      -2.54370300
Cl       5.93490000       4.73468004      10.20080002      -1.85452252      -0.18418678       0.46968715
Cl       4.15922002       2.16239001       7.10788005      -0.00390523      -0.37145353       0.49634654
K        4.47448000       2.12112996      11.32730003      -0.39610494       0.05483985       0.23391004
K        0.72776204       8.48708004       4.62306998      -1.36370328      -1.34168048       2.58131882
K        7.58230996       9.29827002       3.15885003       0.01976982       0.95966614       0.00076598
K       10.90579999       9.79709998      11.29129996      -0.16094776       0.04874240      -0.62537949
K        0.79958003       0.99546204       2.12859998      -0.15310342       0.70727582       1.89130223
K       10.31030001       4.40013000       4.07593004      -0.06052663       0.21959279       0.14836059
K        8.10384002       0.72302794       0.80245998       1.42059126       1.30644095      -0.99263215
K        4.33901003      11.53521873       3.93842003      -0.44792910       0.05937044      -0.20762958
K        8.90795996      10.17650005       6.82995004      -0.13237497      -0.76342722      -0.47194747
Li       7.17639006       6.26699998       6.47549005      -0.62550941      -0.28018119      -0.98143490
Li      10.81030005       3.62223000      11.63992464      -0.13409374       2.41424232      -0.39330962
Li       3.27892002       3.99370000       6.13956006      -0.23470755       0.01441017      -0.09398405
Li       9.20954995       1.63675999       7.42293999      -2.93435395       0.06170720       2.09914214
Li       1.84816999      11.37300002       9.84672000       0.35287681      -0.53699018      -1.32754042
Li       6.12914999       9.87678000      11.10669997      -0.31372567       0.80261130      -0.33790918
Li       9.91504002       7.69613999       2.25671999       0.19840347      -0.64987622       0.08895397
Li       3.11276995       8.46412996       1.09285003       0.15859501       1.99727179       3.06301381
Li       0.81056403       2.37979995       8.29015001      -0.77292639       0.65613903      -0.19575167
Li      10.13670003       5.91520003       7.40219001       0.34982219      -0.09456678       0.39819322
Li       4.96275994       7.35097995       9.26838996       2.52777075       1.01570752       2.20736723
Li       6.02413999       2.87307003       8.51106995      -0.66191156       1.11400343      -0.94738081
Li       1.98815998       5.50682001       8.98104004      -0.53615745       0.73550266      -0.65810466
Li       5.33853005       0.00405331       7.34945995       0.03718501       0.56895997      -0.34689053
Li       4.72899999       8.84945000       6.96202002       0.95746170      -1.08082934       0.73325107
Li       2.58294000       5.24041006       2.95957996       0.63064820      -0.17760833       0.08545872
Li       5.27002005       6.81630998       4.05126997       0.56836051       0.18214832       1.84415464
Li       0.83905199       6.38492003      11.34330001      -0.40804158       0.31687484       0.09041552
Li       5.95654998       3.41245996       3.78441001      -1.88565369      -0.60919734       2.76868506
Li       7.81812994       5.26030995       9.99448995       2.47659637       0.71539700      -0.44494664
Li       5.89577001       5.39503996       0.85788200       0.10190326       0.19570383      -0.06798223
60
Lattice="11.69144674 0.0 0.0 0.0 11.69144674 0.0 0.0 0.0 11.69144674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-466.66856888 stress="-0.011168785281029112 0.0007627088512812233 -0.0010268495861452032 0.0007627088512812233 -0.014605100040915541 0.0037500318454278623 -0.0010268495861452032 0.0037500318454278623 -0.012526751033215428" free_energy=-466.66856888 pbc="T T T" config_type=melt 
Cl       3.37892000       1.47846002       9.91968001       0.15991403      -0.34821480       0.07652868
Cl       1.27201000      10.82619995       7.09806999       0.90918692      -1.46595454       1.81172352
Cl      10.62349996      11.19309999       2.75111994       0.85529150       0.06074425       0.28360918
Cl       5.15962005       2.32057003       2.20352005      -0.65398159      -0.79425982       0.57247324
Cl       2.68066004       4.87428995       0.26120095      -0.20871981      -0.51958472      -2.01502876
Cl       8.68854003       2.58320002       4.37361999      -0.03093285       0.91022302      -0.16059289
Cl       5.52353995       7.05362005       2.24665997      -1.09062086       0.67749563      -0.16259608
Cl       9.81544000       6.67847005       3.37103997      -1.09043855      -0.55733887       1.15372834
Cl       0.96270202       2.24209996       6.72387998       0.22445523       0.30376937       0.07265364
Cl       6.62325006       3.04971996      11.41380002       1.98245131       0.09269736      -0.84963238
Cl       3.37486003      10.66389998       2.87786002       1.46311328       0.38817221       1.75899343
Cl       9.97553998       9.37619001       6.35796002      -0.21913021      -1.01183637      -0.38029748
Cl       4.73650999       7.91866002      10.07240000      -0.34228727      -0.49982670      -0.16722859
Cl       9.37975999       0.08871446      10.51570002      -1.06631408      -0.09782385       0.17375960
Cl       7.03498996      10.32890005       4.62886999      -1.21717326      -1.05067684       0.07559722
Cl       8.92706998       2.88552996       7.93152996       2.46591681      -4.23094498       0.00082567
Cl       5.13670996       1.14343004       6.33269995      -1.43159556      -0.06090887      -1.21792552
Cl       5.52197002       4.14885006       8.46517997       0.82487940      -0.08325263      -0.11445986
Cl       0.23175195       7.29663004       8.67767996       0.10002296      -1.74075440       1.86005097
Cl      10.76220003       3.34199000      11.18309995       0.32017226       0.05110055       0.23761184
Cl       0.83940005       7.15060995       1.54194995       0.64784857      -0.10855642      -0.37933843
Cl       1.65303998       6.97696005       5.91308995       0.79277993      -0.44378842      -0.56743202
Cl       5.10394001       4.40884001       4.49081003      -0.94272791       1.21160820      -0.07083509
Cl       7.67847000       5.86259004       6.70236000      -0.20407392       1.89689364      -1.97606702
Cl       9.20150004       5.77010005      10.23099997      -0.43551398       0.63194791      -0.92540448
Cl       7.70458004       9.15702004       8.75900006       0.26497971       0.46466367       0.30343148
Cl       1.61588000      10.31610002      11.44840003      -1.34723905      -0.42418395      -0.11335693
Cl       9.01273999       8.52587997       0.60304202      -0.35247742       0.38870615       0.61771778
Cl       5.77654005      10.69420000       0.60340001      -0.15396751       0.54470209      -0.16779561
Cl       1.92695000       3.67470998       3.81182996      -0.75216031      -1.47611629      -0.39475805
K        7.21830004       0.76938395       7.80882998       0.67613432      -0.91458100       1.55513715
K        4.00194001       9.27268002       6.22263995      -0.23285771      -0.03662551       0.04261227
K        8.43567006       1.44571999       1.63439995      -0.20124339      -0.36276764      -0.39683348
K       10.73240005       4.74381001       6.18857996       0.50135985       0.03289908      -0.35218964
K        6.81786997       5.69277002       0.24625297      -0.22536637       1.03829151       0.01854069
K        9.10139004       0.01207586       5.36014006       1.24042809       0.91901850       0.10903573
K        0.21180798       0.98728703       9.99059997       0.78831859      -0.12784160      -0.52718512
K       11.32229995       3.40541001       2.33687994      -0.49501262       0.24512641      -0.11153578
K        3.02795002       5.18396995       8.34529003      -0.49464707       0.45260157       0.00589586
Li       5.87164003      10.55139997       2.90268003      -0.58890591      -0.48607684      -1.14614066
Li       4.99900004       1.89444006      11.64580006      -1.20059493      -0.79978131       0.08252406
Li       6.74704997       7.25951998       8.89107997      -0.56776591      -0.37273182       0.03635076
Li       9.57575997       8.08955997      10.33810005       0.08084884       0.15270627      -0.84077527
Li       1.63916994      10.64609999       1.89812006      -1.72884908      -0.10647511      -0.53363187
Li      11.63749995       5.64506003      10.11939996      -0.50470528      -0.37520759       0.70339896
Li       8.57050003       3.67789999      10.48650005       0.32503036      -0.90478834      -0.25774180
Li       8.33395997       4.53794000       7.99571004      -1.88891488       3.73216294       1.68644253
Li       2.56140003       6.96981003       0.08099706       0.32559828       1.08956146       0.08176053
Li       0.91235502      11.68989996       5.39311005      -0.47973153       1.18974920      -1.52448024
Li       3.54226004      10.81650002      11.19779995       1.62368026       0.31056454      -0.36046182
Li       8.84507997       7.56146001       5.35106001       0.68347480       0.43886638       0.31175531
Li       3.27905003       1.66058996       7.49696006      -0.41580258       0.05378568       0.33748680
Li      11.00410004       8.27839999       2.40996002      -0.88050527       0.74744557      -0.14844605
Li       7.62668005      10.39229996      11.13130006       0.65562092      -0.62051767      -0.31415913
Li       2.95013000       5.25138996       4.36306998       0.78693937       2.00199669       1.25268776
Li      11.62840003       8.89817001       7.58669004       0.43986476       1.46938010      -1.06776171
Li       6.84032994       3.74616004       5.26503002       1.00284867      -0.44072549       0.70678860
Li       3.19678001       4.20803006       2.05199002       1.05104948      -0.94808770       1.14930055
Li       6.79143000       6.79099999       3.78767005       0.48823515      -0.54844102       0.48648098
Li       4.61638002       0.98543300       4.09623995      -0.23618695       0.46179119      -0.32081136
60
Lattice="11.69144674 0.0 0.0 0.0 11.69144674 0.0 0.0 0.0 11.69144674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-468.08677477 stress="-0.005216833863064694 0.0041545048926481 -0.0012481761461488928 0.0041545048926481 -0.017610987511421313 -0.0012670755793367774 -0.0012481761461488928 -0.0012670755793367774 -0.01577240989659559" free_energy=-468.08677477 pbc="T T T" config_type=melt 
Cl       7.33415000       0.26868605      10.74579997      -1.51961012       0.24330998      -0.53066624
Cl       1.12689003       9.39357005       7.49289003       1.36600925      -2.00487726       0.22846305
Cl      10.72300001       3.86672001       5.58344003      -0.60499832      -0.84724827      -0.06339599
Cl       3.42375004       2.13526001       1.60683000       0.38982067      -0.86675757       0.59520478
Cl       2.74902004       3.68035999       5.66639996      -0.13317531      -0.06054602       0.38984925
Cl      10.37460004      11.54710005       4.97426000       0.75149291       0.02115462       0.42302474
Cl       7.28296999       1.54261005       5.78293995      -1.17552585       0.80553977      -0.19667760
Cl       0.50367302      10.80279998       1.93494999       0.51303214       0.23534839       0.63867704
Cl       3.11413001       0.22275000       5.10142997       0.57185792      -0.75758974       0.37745058
Cl       2.68943996       2.50293999      10.23080004       0.56777469       0.81189112      -0.69687943
Cl       4.34190004       9.07807998       3.12306006       0.41868450      -0.09530780      -0.34843778
Cl       7.06474001       9.16819999       4.98195999      -0.79853039       1.38925403      -1.72236295
Cl       5.13674995       7.61844997       8.28979997       0.32711058      -0.23989617       0.63091104
Cl      11.26589994      11.61049996       9.35486002       0.18772239      -0.20885546       0.02501508
Cl       2.22221000       6.88209004       4.92906999      -0.06957017      -0.01015874      -0.38444206
Cl       5.83700997       4.56796001       4.62090999      -0.42024675       0.73724261       0.03690909
Cl       8.74808995       9.83376003       7.42181001       0.53346943      -0.55743211       1.17157171
Cl       6.56723996       4.58138998       9.50095002       0.03700800      -0.53323614       0.12666235
Cl       9.01679996       6.08975005       1.07387002      -0.90622072      -0.39301936       0.26945432
Cl      11.00380004       5.78105997       9.10545995       1.05626412       0.10866446       0.31710146
Cl       6.86478997       2.39761000       2.10754999       0.92619711       0.94414568       1.94521915
Cl       4.65361997       6.03286999       0.55997599      -2.13718608       0.48840499       1.28859636
Cl       8.57024001       6.14366001       6.92424004      -0.75347560      -0.64025418      -0.29425614
Cl      10.56350004       7.86168000       3.95412001       1.40291106      -3.03494410      -2.44624839
Cl       7.88670005       9.42782002       1.58884002       0.00241137       0.66875203      -0.59900315
Cl       9.59736997       2.46826000       8.44138004      -0.60391915      -1.08611253       0.08519441
Cl       9.85937997       1.86904998       0.34700401       1.65656261       3.67126242       1.80400617
Cl      10.93469996       8.44839000      11.16110003       0.16271835      -0.24914819       0.74617053
Cl       3.89862995       9.30681004      11.34149999      -0.45065069       0.34686356      -0.75117074
Cl       1.00853003       4.76581004       2.00315999       0.66346967      -0.79932614      -0.09753781
K        8.05129995       9.05688000      10.29000003      -0.06345070      -0.14873877      -0.31212311
K        4.08322000       9.22505000       6.37717001      -0.38441938       0.19198108      -0.84724864
K        7.19647000       7.12940997       2.97964003      -0.32057680      -0.60560058       0.75180282
K        0.79624504       2.66035001       8.10331005      -0.14563941       0.27823043      -0.24570755
K        4.81983996       1.86955002       8.20188005       0.10195580       0.08760650      -0.16399578
K        9.91960997       1.76546995       2.88297000      -0.52443650       0.35484944       1.44998971
K        2.00743006       0.03124212      11.26850000      -0.18895874      -0.40995190       0.21954423
K        1.38682994       1.90342002       3.81300004      -0.46313934       0.41439044      -0.53597894
K        2.48720997       6.80628995      10.45049998      -0.24328155       0.18570180      -0.42754075
Li       3.49979004       4.18244005       1.03784996      -0.46139957      -0.13585261      -0.27112506
Li       5.48536995       9.30157999       1.00618005       0.33925426       0.12018104       0.98548444
Li       6.42151005       5.65574999      11.67440003       2.82463774      -0.91441451      -1.05748791
Li       0.47642903      11.06330003       6.74616995      -1.15048962       1.60061255      -0.63833345
Li       9.73756000       4.46193005       8.05209006      -0.24817883       1.11042549      -1.03641172
Li       9.95578004       9.34066999       4.84837001      -1.59298811       2.73161604       2.06333444
Li       0.56121996       5.10792995       4.93973995       1.06808879       0.83171391      -0.06473759
Li       8.13208001       2.77807995       9.95698005      -0.45074225       0.18511794       0.54967517
Li       9.33837005       0.78263398      10.75830000       0.11559345      -3.30177132      -3.90212033
Li       2.50761996      10.14269996       3.35167998      -0.52867001       0.26813476      -0.07978796
Li       5.48284997       0.83112800       4.21763002       0.06689960       0.32011191      -0.13719394
Li      10.41649997       9.56094994       1.60378999      -0.51054245      -0.44285509      -0.09053561
Li      11.54999999       9.18556004       9.22739004      -0.39594351       0.55580763      -0.24668641
Li       0.34812896       6.68987003       2.28142005      -0.64217329       1.15237094       0.60308890
Li      10.07300000       5.78210997      11.05549996       0.66504528       0.06449546      -0.54566873
Li       7.59950001       8.05474004       6.46992995       0.54167196      -0.83661614       1.84489836
Li       8.48965005      11.64490005       6.33250003       0.59737510      -0.35722701       0.03372800
Li       6.09856003       1.42915006       0.65244504      -1.06004403      -1.14071230      -1.50564992
Li       3.61603996       5.25846001       3.97038000      -0.09905477       0.00757914       0.70082514
Li       7.58910000       4.00795000       5.72816003       0.79856086      -0.04483083       0.12780872
Li       5.43198996       5.64271999       7.49231996       0.39363841      -0.20947933      -0.19024934
60
Lattice="11.69144674 0.0 0.0 0.0 11.69144674 0.0 0.0 0.0 11.69144674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-463.93120506 stress="-0.01871708444043225 0.0012245306319726321 0.006108723553282797 0.0012245306319726321 -0.012307561697008132 0.0008007659538555664 0.006108723553282797 0.0008007659538555664 -0.01707845192269579" free_energy=-463.93120506 pbc="T T T" config_type=melt 
Cl       0.78153896       8.01751997       8.46555994       0.13594893      -0.46981436       0.61829470
Cl      10.70749996       2.29834003       8.02187994       0.92751110       0.84611024      -1.50654657
Cl       7.51367006       3.91084996       6.21942994       0.12503251      -0.50642588       0.20931674
Cl       2.01543998       0.94166197       9.77357995      -0.30239109       0.01507275       0.04399765
Cl       7.39926001       4.44710997       2.45479006       0.33418643      -0.10879218      -0.12694452
Cl       9.50153997       5.40609995       8.89047996      -2.44407819       1.69026116      -0.93096476
Cl       7.72659001       8.56044995       9.84243006      -0.27270556       0.02554963       0.54759456
Cl       3.83326003      10.09250005       8.07290001       0.19890765      -0.84936230       1.53117483
Cl       2.60836001       7.53157995       5.37105999      -0.23213069       0.58418249       0.08603517
Cl       3.56213000       2.99530996       2.09149004      -0.73709381      -1.16664047      -0.51079056
Cl       4.16786000       4.88282003       4.62823994      -1.54140815      -0.65862727       1.29947758
Cl      11.09259996      11.34750004       4.99941999      -0.17589157       1.45257924      -2.17460201
Cl       4.97024001      10.28970003       5.09523000      -0.73240732       0.12246947      -0.77613330
Cl       4.48861005       6.56051995      10.18589998       0.66150629       1.27466100      -1.33754449
Cl       1.22681005      11.31489996       2.03798004       0.98641923      -4.76522357      -0.50057225
Cl      11.28990003       1.85299996       1.21498999       1.54316107      -0.30624411      -1.33788398
Cl       1.83442997       6.68259000       1.60844997      -1.12590498       0.86530430       1.22962178
Cl      11.23879999       6.14439003       5.55710995      -2.54865707      -0.70440203       3.78391003
Cl       0.95255899       4.65887001      10.93619997      -1.49950092      -0.72541180      -1.09606131
Cl      10.53849998       8.35470994       2.20662998      -0.03351206      -0.89986467      -0.22893753
Cl       4.74037997       2.92418995       8.78617004      -0.42332869       0.39624286       0.17269026
Cl       6.01803004       6.93132997       6.88545998      -1.98129112      -0.57857899      -1.14424170
Cl       7.34449997       0.52751901       9.15387002       0.23657331      -0.00995091      -0.25244421
Cl       5.76577001       7.57541995       3.07866997       2.51938744      -1.76710211      -3.86297834
Cl       2.23332997       2.43549005       6.11841000       3.50882216       0.23227908      -0.24249263
Cl       8.77337001       9.01694003       6.88149997       0.58105422       0.03966895      -0.21731892
Cl      11.51990001       3.03155999       4.18280003      -0.34802507       0.88339976      -0.78425170
Cl       8.73685003       3.35064997      11.18560005       0.25607362      -0.10901153       0.19849721
Cl       8.75026000      11.06110005       2.83297001      -1.28143733       0.08488501      -0.85864847
Cl       4.70378002      11.53270004       1.38169997       0.08905025      -0.22699274      -0.27346132
K        3.32528000       5.08755000       0.21390005       0.91824297      -0.76053245       0.79598436
K        7.15876999       5.96214995      11.46350001       0.38187280       0.05979138      -0.18722976
K        5.96315998       2.80398995      11.55170005       0.03792368      -0.80967194       0.09609227
K        2.57929999       9.42722996      11.19450004      -0.09225146      -0.06832071      -0.11797353
K       10.62319995       0.86813505      10.22170001      -0.48250309      -0.65848432       1.19187342
K        8.18172996       8.24559999       4.08374004       1.07922749       0.18793585       0.49423382
K        0.12145320      10.42109997       7.11517002       0.64787158      -0.93609042       2.45797982
K        6.65818995       9.32929000       0.69292200       0.15014170       0.57999211       0.29441629
K        7.05877995       0.33411501       4.73515998       0.37068610       1.03379072       0.48637455
Li       2.50089995       3.69607996       3.97931005      -0.34548768       0.11935307       0.24805068
Li       9.79148002       2.73986997       2.07824001      -1.80787375       0.90196066       0.87335312
Li       2.45087003       2.18912999      11.61280001      -0.39061589      -0.04210110      -0.09685933
Li      11.00480001       5.83445001       1.01253003       0.82032125       0.48201670      -0.26699768
Li       0.52874100       1.76649003       5.74487003      -3.49797953      -1.50036267      -0.56728620
Li       2.98206004       7.29496003       7.87874998       0.20613945       0.46708743      -0.42183304
Li       5.43089003       4.71456000       7.64075000       0.23148170       0.15559121      -0.49143196
Li       3.47576996      11.27159999       6.46588003       0.06095087       0.67302556      -0.56216262
Li       4.54004002       8.20821004       4.21654003      -3.59057146       1.11034456       3.58437713
Li       9.62143003       4.59762004       5.94124003       0.13755223      -0.23981875      -0.00720318
Li      11.29450003       4.77623998       9.00143998       2.21886328      -0.95482147       0.57573546
Li       7.54664999       7.38210995       7.97669005       1.78439347       0.37895233       1.05559100
Li       1.89642000       2.73941003       8.10938995       0.28397893      -0.20490512       1.65829228
Li       6.30899005      10.11920004       8.48107005       0.19125310       0.14154784       0.13464390
Li       5.87551996       5.31364002       3.86895004       1.93853784       0.39707770      -0.66137237
Li       8.51207004       2.70852999       8.14646996      -0.71873204       0.00869767       0.28510403
Li      10.51309996       7.46411995       7.45068005      -0.19700825      -0.19237605       0.04313926
Li       0.41146702       6.48695000       3.99736001       2.65562170       1.49048374      -3.70400337
Li      10.80700002      10.87369996       2.50162997       0.33320606      -0.38801873       0.43797504
Li       3.41545004      10.85600004       3.03319995       0.00802760      -0.19150710       0.06159436
Li       1.64443004       1.36372004       2.37845999       0.24285878       4.09914131       0.75175034
60
Lattice="11.69144674 0.0 0.0 0.0 11.69144674 0.0 0.0 0.0 11.69144674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-465.56865019 stress="-0.011062664727406813 0.0006026551364342566 0.004579667144522598 0.0006026551364342566 -0.014897731261414747 -0.0028582156614627343 0.004579667144522598 -0.0028582156614627343 -0.019414824087539202" free_energy=-465.56865019 pbc="T T T" config_type=melt 
Cl       8.36046997      10.50040001      10.83319997      -1.10425181       0.20083830       2.43705641
Cl      11.02740004       1.77571003       7.94320995      -1.10243031       0.79115275      -0.77820397
Cl       5.67465997       8.39726997       2.46232999       0.11949752       0.11941230      -0.19814255
Cl       2.91926996       3.09374001       6.60181999      -2.39722881      -1.99900014       4.39324111
Cl       1.82755995       2.42554998       1.15669995       2.26238791       0.51417445      -0.04207707
Cl       7.33067998       1.22321002       6.70519003       1.85925063       4.39944163       3.19387641
Cl       4.98578999       8.24995996      10.58930002      -0.91638405       1.08997775      -0.05620586
Cl      10.14690000       4.71529001       5.58472994       0.10545052      -0.09298865       0.88795586
Cl       1.75374998       7.90043001       3.64725005      -0.20398615       0.23813602      -1.01950050
Cl       2.12799997       4.68082000       3.83106005      -0.80831983      -0.13191328       0.56029813
Cl      11.29379994       0.41762701      11.39309996       0.24596528      -0.37586123      -0.13898010
Cl       8.33382002       7.02668003       0.01835323      -0.27202790      -0.03235065      -0.29548215
Cl       1.60014004       0.50668100       4.53454995      -1.06044642      -0.44292837      -0.61766906
Cl       8.16405004      10.83159999       5.08488003       0.38410622      -2.07814973      -1.59887028
Cl       9.82608997       1.49479999       2.65237001       0.07515217      -0.17008807       0.45797101
Cl       1.67885995       5.89002004      10.86960000      -0.57551375       0.00802954       0.23386658
Cl       5.50652001       0.49641696       1.20173002      -0.41184833       0.84431356       0.84651786
Cl      10.90559995       9.13111004       9.39680004       0.69200520      -0.49429328       0.37232568
Cl       7.78965005       5.37567998       3.08223995       0.38019882       0.04053141      -0.92169972
Cl       2.72976996      11.27569995       9.49237996       1.12461859      -0.04128710       1.26889637
Cl       7.47849003       8.08722005       8.01819001       0.22171540      -0.12268736      -0.07413663
Cl       4.68697999       1.42641005       4.53018004       0.76192496      -0.40282907       0.88417949
Cl      11.53890002       8.97306998       6.34193000      -0.08489281       0.05092853      -0.66488425
Cl       8.07224003       3.55905001       9.47190005       0.80963866      -0.02303105      -0.66589423
Cl       5.73734003       4.71482002       6.05226003       0.16168573       0.68784094       0.39507654
Cl       5.55490997       5.22216006      10.55299995       0.48166387      -0.50523180       1.44435982
Cl       3.80403995       8.61109998       6.05960003       0.09040390       0.13263540       0.86859136
Cl      11.13669999       4.29746997       1.57660001      -0.03626413       0.91358177      -0.30012284
Cl       4.62971002       4.82071997       1.82430003      -0.47838990      -0.28560571       0.04543195
Cl      10.48720002       9.52187000       2.23867998       0.68422421      -1.55201805       1.94173782
K        7.71844996       2.76333996       0.47750897      -0.04906246      -0.10034227       0.64292718
K        5.06295003       3.53233996       8.75230998      -0.14576589      -1.55132951      -1.90290789
K        5.69068999      11.05560004      10.53179996      -0.50502880       0.06665178      -1.32716356
K        7.50716003       3.09051002       4.54214997      -0.21243727      -0.70932244      -0.41607688
K       11.07980005       7.57178005       0.42927403       0.29872321      -0.41528700      -0.59752314
K        2.64037003      10.67529996       1.42104999       0.29674257      -0.20625903       0.20855567
K       11.21619995       3.14306003      10.51510002      -0.38327914       0.79862339      -0.07094894
K        1.09899997      11.61760005       7.46180002       0.51552558      -1.44671565      -0.77072236
K        8.22702006       7.91087001       4.24605006      -0.06899874       0.32973325       0.36657023
Li       9.99448001      11.18419999       1.41034998      -0.69158605       2.33462997      -1.12777974
Li      10.83180003       4.88622002       3.59716003      -0.18631623       0.08055890      -0.27756259
Li       4.15083000       7.59000994       4.01566998       0.14404354       0.07382487      -0.07551200
Li       9.87246001       0.07665322       5.75037997       0.25289393       0.49511518       0.26323813
Li       1.62307994       1.31305995      11.21029998       0.06437317      -1.37261022      -1.43099515
Li       0.55273197       2.06265998       2.67255997      -1.41155428      -0.23159677       0.96155049
Li       4.16307995       2.16907004       2.74395005      -0.11322459       0.55923823      -1.53810484
Li       3.66379005       5.46955002      11.43370003       0.37729390       0.11141867       0.64144232
Li       3.81060002       4.00507998       5.33042005       2.28681632       1.80436362      -3.21275853
Li       9.61728003       7.47447004       8.68020006      -0.52185407       0.31663692      -0.09914836
Li       6.42429998      11.45770000       6.10596995      -2.34551461      -2.67597972      -1.57771992
Li       1.71150995       5.63821001       1.69719004       0.06057790      -0.47762800       0.16557143
Li       6.17575000       6.83252999       9.52063000       1.17966052       1.10491651      -1.00614814
Li       9.01170004       3.45539995       7.14690002      -0.18235181      -0.39283396       0.81081654
Li       1.19319000       2.33351000       5.70873001      -0.53033131       0.41495007      -0.08542441
Li       9.39538000      10.64850001       9.21455997       1.01247966       0.25998968      -1.66183566
Li       3.94131004       9.16050000       8.39099996      -0.09727832      -0.30314272       0.01963902
Li       1.34339996       6.70786001       5.57095005       0.07178815       0.35333239      -0.08972641
Li       7.30086001       9.03746004       0.58554296      -0.21646420      -0.51775544       0.18093255
Li       0.38243798       9.88986004       4.34919001       0.14913652      -0.35517599      -0.26144035
Li       6.58396995       5.87568001       1.07286000      -0.05691257       0.37126448       0.40874212
60
Lattice="11.69144674 0.0 0.0 0.0 11.69144674 0.0 0.0 0.0 11.69144674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-464.96909872 stress="-0.020612986946164282 0.0017103889885945838 -0.0007707640555779605 0.0017103889885945838 -0.028995758031223423 0.0011778051779695524 -0.0007707640555779605 0.0011778051779695524 -0.015199528868321882" free_energy=-464.96909872 pbc="T T T" config_type=melt 
Cl       9.14118000       5.23159003       2.97896999      -0.29316016       0.37312631       0.61421037
Cl       4.00006997       1.90629004       7.13023000       0.49441171      -0.02300993      -0.04109252
Cl       7.43300001       7.23176999       1.08898999      -0.09081759       0.04000110      -1.18854483
Cl       6.13801994       4.24628996      10.40770005       0.08500506       0.19921660       0.34460093
Cl      11.38569998       3.02318003       9.01459005       0.34320445      -0.28270256      -0.20920189
Cl       4.37423999       7.53992998       9.68962004       1.56213075       1.57823313       0.46453591
Cl      10.63119994      11.56319999       7.09840004       0.30404184      -1.30375168      -2.09937597
Cl       1.82653999      11.25980005      10.18610002      -0.80602142      -1.24289911       1.41707138
Cl       6.16934998      10.62580001      10.88060001      -0.90292210      -0.06440799       0.32279450
Cl       3.45439005       6.34454000       1.72689999      -0.36089718       1.14746030      -0.42417294
Cl       2.34079997       9.44126998       5.25142001       0.25809328       0.37256660       0.65142548
Cl       9.65765995       4.53658005      11.39040005      -0.83523315      -0.25743464       0.10903931
Cl       1.12533004       3.51658001       1.18344998      -1.21516634      -1.05956275       0.06196160
Cl       7.80925999       7.96402003       8.21379001      -0.95102903       0.12301544       0.52715832
Cl       1.11576001       1.64252995       4.11767996       3.50839713      -1.42805363       1.97173204
Cl       3.75455005       1.69156002      10.80739998       0.21791597       0.57868126       1.05420068
Cl       5.08813001       4.04766000       2.53872003       0.44814297      -1.77840110      -0.96066637
Cl       9.07013003      11.39020001      10.44439997      -0.22574658       3.11796728       0.48266212
Cl       7.82805002       2.05171001       8.44876997      -0.29944758      -0.07720175       0.61790676
Cl      10.65569995       6.94553005       8.47065005       0.06349078       1.68605921      -0.48989415
Cl       9.12850998      11.08540002       3.24191004       0.54101424      -0.62243940       1.77103888
Cl       0.62061403       6.85344997       3.82924998       0.53533134       1.34254153      -0.95235597
Cl       3.59767995       9.66627000       2.13929005       0.72639488       0.52874767      -0.59086910
Cl      10.58479998       4.63557995       5.66799000      -0.25206864      -0.61791024       1.88886069
Cl       2.57329000       5.50783997       9.78402006      -2.68286845      -2.48742693       2.26348789
Cl       2.01427002       5.86691003       6.38426999       1.43299762       4.97095453       1.37924100
Cl       5.99167998       7.41497998       4.84198999      -0.01651748       0.16109355      -1.74992450
Cl       8.09301000       1.57472996       1.35373999       0.20977087       2.93604069      -0.14351681
Cl       7.27808998      10.62339999       6.45133996      -1.26452054       1.05389079       0.49334646
Cl       6.56304004       4.42410997       5.62131002       1.13106476      -0.99600001       1.28252162
K        1.90695002      11.59030579       7.59507000      -0.15304160       0.02589984      -1.23681498
K       10.86449996       2.30474998       3.03208002      -4.00505653       1.01374854      -1.95057237
K        1.79184001       3.61073006       6.08523996      -0.69356832      -5.03841613      -0.37456071
K        5.54467002       1.04394004       1.65547004      -1.33342279      -0.17331858      -0.48886871
K        0.49269101       6.02271001       0.28559001      -0.22619506       0.78764344      -0.13972541
K        9.82578997       9.13323999      10.07249996       1.10972571      -2.68927998      -0.43676584
K        8.42120002       5.00914997       8.48532994      -0.08293085       0.04037400      -0.13753535
K        5.05191997       8.66197005       7.01205005      -0.36954659       0.48014005       0.57676815
K        3.66364005       0.43967205       4.06863995      -0.20381496      -0.33850382       0.56633000
Li       3.23923001       9.92769999      11.52949998       0.07810978       0.29764623      -0.40566498
Li       6.85922999      11.46320000       8.77626996       0.39746910      -0.09399593       0.27806456
Li       2.41616000       8.19250994       3.37548003       0.01310609      -0.21863145       0.13426483
Li       6.48471998       8.44018003      10.63680003       0.01461130      -0.49418238      -0.50886268
Li       7.85702996       1.32672001       6.49466998      -0.27927065      -0.10859455      -0.72079463
Li       4.91722000       5.86009999      11.58270003      -0.20137995       0.16925264      -0.27285133
Li      11.69085340       5.33885999       8.57448003       1.76727259      -2.35265299       0.11242518
Li       1.07614003       2.41865998      10.89579995       0.35004475      -0.29889097      -0.53989552
Li       9.97655995       0.98271497       8.53394006      -0.51567722       1.50537588       2.21205495
Li       0.17368205       7.08851001       6.10626995      -0.13775254       0.00669443       0.12930848
Li      10.99030004       5.37665002       3.85695999      -0.03035615      -0.37996317      -0.66931300
Li       7.92337997       4.58290998       1.50546995      -0.54024588      -0.04080831      -1.15667053
Li       5.27100002       5.17508994       4.25516997      -0.56581244       1.09004618       0.14140863
Li       2.97252999       4.21096999       1.41211994       1.71618047       0.17276877       0.27647546
Li       4.80252001       2.75349003       9.30218000      -0.10468043       0.08915848      -0.59425976
Li       8.61083003      11.38160002       1.34923002       0.31708423      -1.55384512      -1.87455370
Li       5.91319997       8.06062996       2.22671998      -1.04151220       0.24388006       0.97163651
Li       7.89427996       6.24998998       4.90790005       0.22478151      -0.57228896      -0.02563960
Li       9.05547995      10.82459997       5.47533997       1.42605971      -0.33252838      -0.47299541
Li       7.73136000       2.68650003      11.12490004       0.55925482       0.14744891      -0.63042283
Li       3.44670000       6.02201998       8.16315003       0.84557269       0.64742901      -1.63015028
60
Lattice="11.69144674 0.0 0.0 0.0 11.69144674 0.0 0.0 0.0 11.69144674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-461.19129564 stress="-0.02619221304018669 0.003980394038464802 -0.00021221501773645158 0.003980394038464802 -0.029953014534713152 -0.002181290180264251 -0.00021221501773645158 -0.002181290180264251 -0.01095369541170626" free_energy=-461.19129564 pbc="T T T" config_type=melt 
Cl       8.14958994       9.62310004       0.64194799      -0.27033192      -0.06007692      -0.03820556
Cl       7.48332000       6.31851004       1.97647005      -1.41616171       0.01170808       0.63604222
Cl       4.91549996       8.51006004       2.55226001      -2.75551821       1.77168676      -2.47283446
Cl       1.01046006       4.61120995      11.60369998       0.33239366       0.27680130       0.34539364
Cl      11.61719997       2.95816997       3.44825999      -2.60356537       1.46596414      -0.55530144
Cl       8.78995000       8.85951002       8.57155004      -0.99429770      -0.59204350       0.98282095
Cl       2.13573001       7.12195000       5.39520995       0.81659183      -0.82832605      -0.39383023
Cl       0.03848485       8.83904999       6.89332002      -1.66796777      -0.55913836      -1.11594496
Cl       2.06641002       3.44718005       6.08463002       0.36601587       0.80185240      -0.13755475
Cl       2.35365998      11.48259997       4.02995003       0.23986915       0.25700606       0.61652634
Cl      10.31880004       3.46327999       7.71480000      -0.20245195      -0.14950326       0.20174873
Cl       5.64459997       6.66084005       9.42251000      -0.51624142       0.61215307       1.97884520
Cl       4.36241000       5.46236001       1.15411006       2.29740235      -0.24130520       0.29511684
Cl       6.88337995       0.69250204       6.93200994      -0.20298391       0.37858304       0.51730281
Cl       6.63563001       2.38279997       2.24476000      -0.13768925      -1.15776881      -0.42728198
Cl       1.73902004      11.34619995       7.61671999       1.67047788       1.40097415       1.61214733
Cl       7.65856999       9.62475005       4.65712004       0.10603058      -0.45822519       0.44591783
Cl       9.79429006      11.59959698       7.60520006       2.45621788       2.00313006       0.38275099
Cl       9.71636996       1.11193994       0.27493501       0.50610623      -0.37234255      -0.44648048
Cl       5.12095995       7.59968006       5.54649003       1.97638764       1.20227482       2.28390215
Cl      10.69179998      11.37369999       4.60474995      -0.06907791      -0.23688232      -0.55697557
Cl       0.19520694       9.74161004      10.97500003      -0.03300661       0.81018677      -0.12091191
Cl       4.28103005       9.71752004      10.41660005      -0.23105954       0.09354987       0.19678348
Cl       4.01542002       2.34903005      10.08680000      -0.06406388       0.15563621      -0.80945374
Cl       1.43229997       7.24303996       9.10019996      -0.87300456      -1.18972422      -0.32001943
Cl       2.85311005       1.87099006       1.45259000      -0.65435653      -1.85464260       0.63328145
Cl      10.81580005       5.87299998       5.22440996      -1.70679347       1.90177407       0.15186653
Cl       9.42063002       4.81311001       0.16907901      -1.30314769      -1.32407679       0.26778815
Cl       6.59864997       4.90090997       6.96348004       3.82127709      -9.20736619      -3.56202652
Cl       0.76334204       8.78570998       2.62379003      -0.48372283       0.25476372      -0.28253341
K        5.94456005       0.38459599      10.92339994       0.35793007      -0.16155352       0.37107848
K        2.67694999       7.29528003       1.02629998      -1.59796238       1.10287004      -0.55073151
K        6.78296001       4.02665000      10.49430000      -0.23443926       0.10853137       0.06223273
K        7.55999999       4.20589005       4.04612000       0.30524957       0.34635347       0.63520222
K        9.93105999       6.95714001       2.66545999       1.06144343       0.54668143       0.10837891
K       10.69889997       6.71088002      10.85290005       1.21918387       1.58428235      -0.52454657
K        0.98899398       1.86014004      10.85450003       0.28806435       0.09864382      -0.37219982
K        4.72914005      11.04869999       5.84738999      -0.40264598      -0.87742214      -0.23444906
K        3.21341997      10.63160002       1.48150997      -0.03635171      -0.12704873      -0.38241368
Li       8.79395000       1.94418997       6.93292994       0.36568185       0.21765405       0.11964236
Li       0.26528395       4.29247001       5.18944996       0.47116467      -1.44668577       0.03745525
Li       3.45122996       3.71633001       1.13192004      -0.42071949       0.28133097      -0.80133220
Li       6.50446005       7.43779000       0.28661500      -0.15029934       0.53440576      -0.00444858
Li       0.60173398       8.45081995       4.85126002      -0.37238018       0.04228330      -0.66261549
Li       7.28984000      11.25969997       3.35766998       0.40325188       0.46288194      -0.78031955
Li      11.25629998      10.82140002       1.71311998      -0.45646525      -0.43139821       0.10786735
Li       1.44111999       1.82841004       3.27757001       2.25232705      -1.61028835      -0.06921833
Li       2.97301004       2.07747994       7.29909004       0.33606734      -0.74289375       1.24810140
Li       0.95678603      11.25470000       5.79070003      -1.09390688       0.00815545      -1.63083178
Li       1.00464999       9.51049001       8.49183004       0.38982147       0.24618332       1.83317702
Li       4.12319002       6.41699002       4.42558005      -1.69164734      -1.16664166      -1.40069617
Li      10.27519995       0.22655194       9.82272003       0.03785985      -0.36394418       0.40900246
Li       6.21992005       7.77420003       3.61094997       3.27652285      -0.95914893       1.77769302
Li       9.73352996       9.71891998       6.52097001      -0.14952283      -0.02278748      -1.11352370
Li      10.14909998       3.10099000       1.19685001       0.41765772      -0.11194860       0.49028878
Li       9.74955005       7.24001000       8.16216000       1.26005673      -1.94263591      -1.38997347
Li       8.21766000      10.71079999       8.23172002      -2.88018489       0.69878414       0.14904123
Li       2.09517998       5.84736999       7.15828994      -0.23736502      -0.27233471       0.27639542
Li       6.02597999       6.31382002       7.49747998      -3.28981313       8.43888622       1.69792862
Li       3.18226005       8.05840005       9.50119005       2.16809305       0.35218176       0.28493445
60
Lattice="11.69144674 0.0 0.0 0.0 11.69144674 0.0 0.0 0.0 11.69144674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-464.30593796 stress="-0.017982476910450747 0.0012402032174254531 -0.005822882870018222 0.0012402032174254531 -0.024036071604122612 0.006941350345286477 -0.005822882870018222 0.006941350345286477 -0.018306773266579427" free_energy=-464.30593796 pbc="T T T" config_type=melt 
Cl       9.40065997       1.34823998       4.96136995       0.02843807       0.07242741      -2.31347578
Cl      11.47670000       5.27440995       0.41065201      -0.61418149       0.64865173       0.34881608
Cl      11.07960001      10.86670005       0.64647001       0.38714401      -0.92091345      -0.66129942
Cl       1.74573000       2.95794000       0.00435331      -0.40407491      -0.66290313       0.44923278
Cl       7.23156994       5.90799003       5.50639000      -2.45025181       1.25533235      -0.69459295
Cl       9.11023999       3.98671003       3.27561005       0.78398831       0.66397503      -0.54789185
Cl       1.96624004       4.64614995       3.36519997       0.53074231      -0.48739526       1.05347708
Cl       2.23974004       7.89189000       9.04261000      -0.37929494       0.21054950       0.73206800
Cl       2.68218004      10.90330001       5.21696999       1.11001605      -0.74761103       0.29151937
Cl       9.77717998       8.75260004       9.37087999       0.03027193      -0.46531258       0.05815287
Cl       4.53474005       0.95706896       9.57827000      -1.44565462       1.59231267      -1.74845082
Cl       1.19889005       0.69167897       2.90167000      -0.28025102       0.55748235       0.08963775
Cl       2.54015001       9.46392005       1.85693998      -1.93304015      -2.31304908      -1.58973342
Cl       6.75496999       2.33807002       7.47445998       0.23028086       0.09947955      -0.11457506
Cl       4.02043004       6.52446002       0.22780796      -3.73894135      -1.59618634      -2.13912862
Cl       5.68950004       8.71329994       9.53617004       0.19040797       0.49447064      -0.02479802
Cl       9.21346997       4.55457003       7.36873002       0.22571518      -1.49674712       2.84081701
Cl       5.70242002      10.23180001       2.27378004       0.38467351      -0.52736383       0.86818684
Cl       4.05201997       1.54092005       1.01527004       1.45891961      -0.46340644       1.61101095
Cl       4.52380001       5.06845997       8.43567006       0.64574440      -1.69316482      -1.33055474
Cl       5.47856003       4.87968005       2.36454004       0.00166502      -0.21656614       0.18608154
Cl       3.27203995       6.99121005       5.60145000      -3.28121408       0.93657543      -0.75025688
Cl      10.90129995       6.70985994       5.55911995       1.31006986      -0.56653387      -0.05211684
Cl       7.50947002       6.18412996      10.75150002       0.26521474       0.61434492       0.35831247
Cl       1.43407005       3.36440004       7.37994002      -0.12039215       0.32051256      -0.89805876
Cl       8.60354006       7.36129999       2.06802998       0.32691500       1.15516009      -0.80450387
Cl       6.53381996      10.88649999       6.70581997       1.17325867      -0.85834219      -0.37191961
Cl      10.18610002       9.35951006       4.47312005       0.23480372       2.17654010       0.38601339
Cl      10.22669997      11.66220000       8.13786997       1.74659926      -1.46070593       1.99477237
Cl       7.24551001       0.91721598       0.08175326       1.06000347      -0.13445341       0.10719875
K        0.81973398       9.01123004       6.81970997      -0.07755033      -0.50433786       0.13461129
K        6.61897005       3.17047998       4.43687002      -0.12969583      -0.88047117       0.16201660
K        0.26180095       0.18555904       5.63740003      -0.84852183       1.29552591       0.22694376
K       10.48419999       1.89638002       1.37129996       0.03441405       0.25482044      -0.06273632
K        8.73325000      10.86280002       2.23550996      -0.96256051      -0.13743620       0.36500335
K        0.97451704       1.41389003       9.30037004       0.05404707      -0.50398557       0.33575044
K        7.72856996       3.37777003      10.55629997       0.22204426       0.19775852      -0.65099130
K        1.78820000       4.81812996       9.84966005      -0.08127195       1.48442629      -0.84706558
K        4.87369006      11.07620002      11.48210005       0.08568629      -2.62839704       0.75720207
Li      10.00540006       6.84364996      11.31110001      -0.75846036      -0.25440768      -0.08819690
Li       6.77064003       4.54804001       7.25352999       0.37233304       0.04503890       0.78706158
Li       0.92199497       9.05671000      11.20440001       0.29506957       0.21121594       0.20384956
Li       4.58440999      10.35170001       6.14679005      -0.49266463      -0.34722323      -0.18702011
Li       9.24900998       0.83862198       6.81236997      -2.43870821       1.51173692      -0.18291975
Li       0.01857748       4.36150999       2.87249996      -1.63250459       0.21580870      -0.55966954
Li       4.41368003       2.73197006      11.04469999      -0.23683792       0.18271318      -0.57769018
Li       9.17646000       5.47214003       5.69558999       1.06539109       0.01402216      -1.52615615
Li      10.04829995       7.50158005       3.62853999       0.12159826      -0.97678906      -0.06161653
Li       4.49552998       6.68446998       9.53396994      -0.09079767       2.00796988       1.20021853
Li       2.65370997       2.40607004       2.14350996      -1.33362374       0.48989324       0.71136911
Li       8.35321999       9.40262004       7.38713002       0.15032107       0.08758984       0.17791369
Li       7.78105005       8.95070997      10.32010001      -0.13016095      -0.52505966       0.14049493
Li       6.17636999       0.43955105       8.40008994       0.32339799       0.31471002       0.14861732
Li       5.02863002       6.59556004       6.03320004       2.93297493      -0.88666222       0.84896954
Li       3.33102003      10.89599999       2.85499003       1.21051224       1.78919421       1.07097768
Li       0.32688595       9.98323003       3.33478000       0.78858170       0.33157252      -1.15414871
Li       1.37399998       5.45025995       5.86860002       0.15494407      -0.29242421       0.10817729
Li       5.51568996       7.45956005       0.66410200       3.58490796       2.03223816       1.01767534
Li       7.55721006       5.64778004       2.56266002      -0.21279707      -0.84414554       0.23743075
Li       3.17111003       5.39244995       1.81801003       0.55235655       0.12794486      -0.07001234
60
Lattice="11.69144674 0.0 0.0 0.0 11.69144674 0.0 0.0 0.0 11.69144674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-462.40080367 stress="-0.024834388776770747 0.006075611217656834 0.0034111329918614674 0.006075611217656834 -0.012995321907520873 0.0009015378587154579 0.0034111329918614674 0.0009015378587154579 -0.028912082119180053" free_energy=-462.40080367 pbc="T T T" config_type=melt 
Cl       3.69650003       1.61987999       6.14163997      -0.42666230       0.18618921       8.19733489
Cl       6.04370995       2.09788000       4.51683004       0.58031411       0.56500561       0.23354713
Cl       8.37212997       0.23500696       6.51573996      -0.92585693      -0.20537152       0.00655954
Cl      11.03510003       7.99126998       9.04912003       1.14884381       0.40631456      -0.15237737
Cl       7.57423000       8.64262000       7.57439005      -0.69213836      -0.17773240      -0.35862849
Cl       4.98571002       9.78004999       5.14282997      -1.54618536      -0.25419602       1.55997202
Cl       7.66714999      10.73719998       2.91139004      -0.03422931       1.00859836      -3.66116457
Cl       5.82048995       2.74226999       9.61807996       9.55792050      -8.03093727      -4.13516570
Cl       9.70085003       2.35767996       2.10995995       0.46700532       0.41983526      -0.71440065
Cl      11.02999998       0.46416505       4.73341000       0.47014035      -0.58771271       0.02141219
Cl      10.67679998       3.57606001      10.11010000      -1.39162833       0.16735228      -1.07007508
Cl       9.43034000      11.37640001       9.57930996       0.78462345      -0.48687806       0.24610216
Cl       2.42278004       1.61165997       2.80561997      -0.50022778      -0.84321854       0.23662158
Cl       2.17040006       6.94189997       7.34706004      -0.87825134      -1.67144194      -0.13209828
Cl       1.55624006       9.26949001       2.48801995       0.46455592      -1.60678409      -0.89728335
Cl       2.27292995       2.51448003       9.90285005       1.72800410      -0.49947163       1.14945835
Cl       8.23224999       7.08922003      10.42689998      -1.45134520      -1.19237498       1.34413663
Cl       9.09685001       5.61230001       3.67714999      -0.11024304      -0.53802872       0.75287042
Cl       9.56114005       8.76223005       4.78524005       0.44086198       0.17051208       0.50375767
Cl       6.45195002       2.88706002       1.06580000      -2.05262732       1.96872597       0.04473128
Cl       2.88233001       6.50523005       0.85433599       0.10637708       0.40131430       0.29080478
Cl       6.27336995       5.35384994       6.45676000       0.36390276      -0.36916595       0.16756119
Cl       6.49742998       7.17788002       2.36000995      -0.49016133       0.26628839       0.21086456
Cl       2.53012997      10.15769997       9.77505997       1.53946707       0.16375635       1.14532033
Cl       4.54993005       6.27985999       9.43955005      -0.94289374      -1.24384370       0.14654477
Cl       3.56984998       5.26129004       4.51745998      -0.48772818      -1.04533395       0.53513522
Cl      11.14910005       5.98294003       0.83795896      -0.24464531      -0.58181600       1.15701328
Cl       5.38547998      11.39549998       0.47619999       1.18458914      -0.31936519      -0.07335848
Cl       1.30060003      10.46919998       7.00374001      -1.04024825      -0.40053680      -0.58886251
Cl       1.09989004       3.15010003       7.02009003       0.23766621       0.54678488      -1.07219777
K        8.21638996       5.21375005       0.71255101      -0.17684017      -0.31138872       0.88501215
K        8.15230996       2.03421995      11.06820003       1.37658426      -1.27970825      -0.92634404
K        2.75802000       3.75459997       1.14037004       0.52097841       0.16499369      -0.26733886
K        9.55470998       8.93455005       0.98520899      -0.16748361       0.03911090       0.29721752
K       11.54841978       6.58890000       4.69047001       0.69514986       0.56938147       0.03914920
K        0.04935322       3.24131998       4.35215005      -0.18783708      -0.21641790      -0.82900209
K        4.85024006       8.38318996      11.22460002       0.17464255       0.24485194       0.64664700
K        5.60150998      11.06090001       7.63866998       0.42842549       0.11707177       0.31872248
K       10.50389996       1.58576996       7.51463004      -0.33704089       0.19513875       0.41503578
Li       6.94195001       1.75879005       2.60903999       0.92785646      -1.29125300       0.83148389
Li       4.64944998       3.70970996       9.93663003     -10.08993212       8.32037366       2.87306396
Li       0.51875604      10.20840005       9.30422997      -1.10811514      -0.35891435      -0.23988990
Li       0.03896175       6.65318004      10.69320004       0.57522010       0.26838878      -0.90371522
Li       1.06266997      10.83030002       3.52640994      -0.69980923       2.11901711       1.23891098
Li       2.18319997       0.67223200       7.15604998      -0.56103092       0.56386199       0.68268523
Li       3.44643004       6.93504001       3.32755994       0.17428503       0.86363792      -1.28563935
Li       6.37212000       6.19212995       8.56537006       1.32833197       0.41793241      -0.37495200
Li       5.57294005       2.82743995       6.79490996       0.58158533       0.17771711      -0.30354995
Li      10.32590002      10.47030003       6.65025999      -0.26351413      -0.28908625      -0.51320898
Li       3.41660002      11.29941277       0.32808795      -1.65575952      -0.02935015      -0.25200296
Li       2.83909001       8.76101005       6.97223998       0.64249851       1.30829640      -0.32666819
Li       6.00579003       9.77364998       3.46767995      -0.27448676      -1.07602747      -1.43263548
Li       8.97128996       8.25795995       9.10584997       0.45153585       1.63618432      -1.09470876
Li       8.41025998      10.80379995       4.61375003       1.54739493       0.14437137       2.75626549
Li       3.24203000       4.85051001       7.22607999      -0.25372944       0.67137532      -0.43543496
Li       0.68583897       3.31414003       9.01382005      -0.09263237       0.71109319       0.04419781
Li       3.85023005       1.58743003       4.47166996       1.14305402      -0.06999570      -7.83566404
Li       8.26163001       7.20159997       5.97213994      -0.18686014       0.16658474      -0.41942022
Li       6.88207004       5.23172004       4.21006998      -0.27984070       0.02675942      -0.52436187
Li      11.02979994       3.60499996       0.39905702      -0.09183026      -0.02046826       1.84200963
60
Lattice="11.69144674 0.0 0.0 0.0 11.69144674 0.0 0.0 0.0 11.69144674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-468.70900776 stress="-0.021425549570720587 0.0018452973795883769 -0.0030837584545035947 0.0018452973795883769 -0.007197188112907459 -0.0006736890402638934 -0.0030837584545035947 -0.0006736890402638934 -0.009132142492938318" free_energy=-468.70900776 pbc="T T T" config_type=melt 
Cl       2.28039997       4.20691001      11.53319997      -0.84807991       0.72932490      -0.35879026
Cl       4.77822004      10.66930003       3.53580004      -1.40854437       0.65136340      -0.46322738
Cl       4.86923994       5.98230004       1.60495002       0.07141167      -0.00461396      -0.30064536
Cl       6.28828999       3.24270003       3.68392997      -0.62392798      -0.21210853      -0.05059879
Cl      10.93630005       0.16979395       0.77831703       0.36566221       0.31817916       1.08849078
Cl       6.89422997       2.16900001       0.66349206       1.22496841      -0.40585566      -0.55262926
Cl       1.42790994      10.54180001       4.94882000       1.57638712       2.99026245       0.82349095
Cl       6.87524002       3.33048000       6.72911003       1.78008124      -0.53046288      -0.34800508
Cl       2.41552994       0.05834324      10.10809995      -0.72968193      -1.25733370       0.05163452
Cl       8.80403001       7.48114001      10.76770004      -0.55268914      -0.12232528      -0.20938654
Cl      10.16379999       9.45178994       5.60864994      -0.63232486      -0.45992947       0.32665628
Cl       4.83772997       6.67536001       9.48745996      -1.50086886       1.05113507      -2.59790701
Cl       5.39927004       6.97520996       6.24548001      -0.85759109      -0.43667954      -0.35425435
Cl      11.33160003       7.94337001       2.02758997       1.09202935      -0.23263675       1.21156505
Cl       8.58081995       5.94184004       4.36312996       0.38527025       0.58437424       0.29928840
Cl      11.02169999       4.59101999       7.63487996      -0.02109709      -0.32323474      -0.15711268
Cl       3.93928999       1.39020000       1.37454001      -0.06924764       1.02214478      -0.12522190
Cl      11.68963772      10.44950001       8.32881000       0.22880793      -0.21795679       0.27267048
Cl       2.38863003       9.00605997       0.70823698       0.81972751       0.73260676      -0.10406602
Cl       1.32326998       6.88750996       9.23188997       0.43924045       0.60625309      -0.03813892
Cl       3.49688004       3.58041998       7.17052995       0.31734138      -1.13568688       0.40050406
Cl       5.78567002       0.43676696       9.06559995      -0.85283594      -0.61081343      -0.52811101
Cl       2.22485005       4.88124998       4.08173004       1.26968754      -0.56986332       0.30365838
Cl       6.80577003       4.20535002      10.08180004      -0.62281785       0.25126183      -1.18799597
Cl       8.95406997       0.74129396       9.14899995       0.53193446       0.70889597       0.88260116
Cl       7.91338998      10.23460000       1.67693998       0.63634859       0.13766887       0.47048264
Cl      10.09999999       3.93438005      11.19379996       1.03584953       0.11374846       0.24776395
Cl       7.93845001      11.40820005       6.25973995      -0.64600099       0.62642187      -0.48041391
Cl       0.83857100       6.97494000       5.91278001       0.46217169       0.73077811      -0.51435186
Cl      10.26210003       3.12573003       4.52237997       0.74802424      -0.54899063       0.22541641
K        6.42290999       9.23520999       4.89557002       1.88923904      -0.89954233       0.27779243
K        3.62808005       2.27921995       9.88703000       0.94700422       1.44980806       0.27499179
K        7.99658000       6.45381001       7.37352001       0.58245652      -0.13200474       0.46080405
K        0.67662401       1.29987001       6.90843999      -0.08381529       0.49405260       0.23600518
K        4.84788002       1.42001997       5.97522999       0.40020408      -0.65735955      -0.46351463
K        2.85229001       9.41473005       8.40911995       0.30370892      -0.22745767       0.26761978
K        9.97953998       0.33125902       3.94997995      -0.26128418      -0.60273922      -0.70279457
K        0.04005326       4.75990995       2.47374996      -0.66982305       0.17398611      -1.11518305
K        5.63359002      10.04110001       0.21779704      -0.58548573      -0.06732780      -0.55836930
Li       3.24775998      11.22909994       1.84167001      -0.72272846      -1.33658273       0.23414541
Li      10.79630001       5.39439003       5.43570001      -0.21896267      -0.05002315       0.25491876
Li       9.56330004       8.10187995       1.10061000      -1.36815416       0.47575705      -0.54511392
Li       0.04902341       5.54105000      10.40200000      -0.49724232      -0.65920127       0.06901873
Li       7.09324996       1.64738003      10.19370004       0.05976911       0.86500749       0.03182043
Li       8.24721995       3.83786003       4.85085000      -0.71491212       0.10051172      -0.22277478
Li       8.10005995       4.13840994       0.10623199      -0.17237431      -0.02032500       0.48847774
Li       2.84211003       9.12933996       4.55555995       1.10812522      -0.89697955      -0.63404668
Li       6.07331001       1.32221003       2.39006995      -0.35481743      -0.17523124       0.54256199
Li       0.82085496      10.91760005      11.49179997       0.69758936      -0.74892225      -0.47469396
Li       3.38346996       6.84706001      10.97299997      -1.36475673      -0.20485528       1.06825587
Li       5.49910997       4.37393005       7.68631999      -0.90263425       1.41972524       1.31134797
Li       9.64013997      11.01009997       7.74277004      -0.02781022      -1.09686624      -0.59348951
Li       2.19921000       5.07335998       6.86026000      -1.63734241       1.64506257      -0.42150332
Li       0.10263103       8.26929001       7.54182002      -0.49077794      -0.06460078       0.23555870
Li       3.58871997       3.77804004       1.44087003       0.58045330       0.20218958       0.52619831
Li       0.20934705       9.17116003       4.44502994      -1.97616389      -2.72468506      -1.25578437
Li       6.06306000       6.40005005      10.88670003       2.46408173      -0.94484143       2.40184716
Li       9.23952997       0.39622605      11.32689995      -0.55646221       0.02845792       0.25695398
Li       4.58264003       5.11922003       4.12007998       0.23696942       0.16825841      -0.27781014
Li       8.21377002       1.63995000       7.28326005      -0.28328947       0.30080113       0.09339318
60
Lattice="11.69144674 0.0 0.0 0.0 11.69144674 0.0 0.0 0.0 11.69144674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-463.74006833 stress="-0.0197997324003893 -0.000292541748465888 -0.002948378636084015 -0.000292541748465888 -0.01832316719572494 0.002567217725313097 -0.002948378636084015 0.002567217725313097 -0.027095273933234517" free_energy=-463.74006833 pbc="T T T" config_type=melt 
Cl      10.91959999       8.10012004       6.10904994       0.77892971      -0.10466411       0.47292609
Cl       4.25540999       6.20150999       0.35651898       1.97434843      -0.25008225      -3.69986732
Cl       9.02400002       4.28193999       6.99589002      -0.04399350      -0.00895897       1.11956401
Cl       0.65614200       4.83547002       9.87202006       1.60273772      -3.02465464       3.48795273
Cl       4.42461001       5.04331003       3.27828997       0.28548078      -0.97619899       1.73878554
Cl       6.10504001       1.91384996       2.73192995      -0.71126821       0.77500254       0.20437635
Cl       5.32122999       0.06676681       5.13212996       1.35736974       0.12535777       0.85399015
Cl       1.04266999       0.69281304       8.99355000      -0.74501511       0.46445968      -0.20861018
Cl       5.42860003       7.94342999       9.02148999       0.14738656       0.29470905      -0.08547008
Cl       9.15749004       3.92973001       0.35635331      -0.83194075       0.15170974      -0.00602667
Cl      10.82960005      11.11580000       1.59273000      -1.55818840      -0.55232240      -0.12394164
Cl       1.23941997       5.24045998       6.88673996      -0.35461174       0.52037952      -0.40542515
Cl       9.18689005       0.53025995       5.72690004       0.84627614       2.97306112       1.25133737
Cl       3.14610998      10.62400000      10.46390002       1.78751436       0.12502050       1.43960013
Cl       2.58134003       1.83977003       5.35981001       0.30535896       1.57274787       0.87953479
Cl       2.69931000      10.20780004       6.59806996      -0.54801834      -1.08683376       0.68009040
Cl       5.10927996       3.42818998       6.65760000      -0.24170890      -0.71309387       0.19962231
Cl       8.53227005      11.57690002       9.67494003       2.14797257      -1.08364917       0.27098382
Cl       3.35372002       9.01696996       1.56008000      -0.54439841      -0.22656465       0.25596181
Cl       7.25884995       8.61693998       5.68102000       0.22335816      -0.78466210       2.20278222
Cl       7.73276999       4.57590002       4.27125997       0.89674583      -0.13493988       1.98361632
Cl       1.92619005       0.64244102       2.10009997       0.71205322       0.44226044      -0.17319916
Cl       3.55127999       2.47657005      10.54899995       0.84769874       0.51418057      -0.82776228
Cl       9.56783001       7.22018002      10.39189999       1.04444399       0.69188286      -0.33165195
Cl       0.82622905       8.26968004       9.86301004       0.20108181      -0.08678640      -0.56386199
Cl       6.89942003      10.76389997       0.43939403      -0.80957931      -1.32338448       0.17808081
Cl       0.04615327       3.56969004       3.91219004      -0.79715340       0.66571642      -0.12390416
Cl       6.76210996       7.50772005       2.68594001       1.81691719      -1.49023236      -1.57236141
Cl       5.82741994      11.41182369       8.78456001      -0.96256974       4.21832400      -0.98294259
Cl       1.17792004       4.80182998       1.32523005       0.47065361       0.61626896      -0.40352692
K        6.18810002       5.90221995       6.86527002       0.71982490       0.87186842      -0.37308105
K       11.30090004       2.01051005      11.63379996       0.63374176       0.01131469       0.17524764
K        7.20135995       6.40047995      10.94199998      -1.60090169      -0.56037572       0.79753886
K        9.70340005       6.99702000       4.00620996      -0.66235533      -0.57997489      -0.79849376
K        8.23138003       0.95306499       1.66702002       1.86042759       0.64511269      -0.42520256
K        5.26103996       9.14675998       3.92329995      -2.01446990       0.73181777      -0.24625797
K       10.13169995      10.32830004       7.49043003       0.13162181       0.37160462       0.86222208
K        8.10352997       2.49193004       9.31092005      -0.05480228       0.79625208      -0.18253809
K        8.22188003      10.58290000       4.23349999      -0.81411198      -1.22369392      -2.78691090
Li       3.73182995       0.80935326       0.03038455      -0.31595768      -1.24548934       1.30380429
Li       3.25956004      11.63739999       5.05418004      -0.45908161      -0.82585836      -0.59519138
Li      11.65040006       5.76434003       8.50770001      -2.14902031       2.61128932      -3.01346737
Li       3.88446997       8.13264997      10.70966568      -0.55251212       0.15982399       0.68985541
Li       6.19219998       9.95146998       7.69292004       0.55589546      -3.02339051      -2.40088784
Li       3.27963998       4.23120005      11.67290001      -0.77150213       0.81428435       0.83708980
Li       7.71412003       2.54777996       5.05702995       0.02843919      -0.45449354       0.21406630
Li       3.33911004       6.18074002       1.99523003      -2.45357475       0.88885365       1.79751753
Li       1.27328004       8.37818006       6.99531995       0.12640432      -0.18445673      -0.14530194
Li      11.41100003       6.31232001      11.42379994       0.51706466      -0.47090993       0.23119759
Li       1.80857001      10.07970002       9.10462997      -0.72693946       0.54951721      -1.17602787
Li       4.65100003       2.84716004       4.07578997      -0.33030431       0.00251425       0.13501137
Li       4.91126005       1.22749996       7.50969999      -0.45157845       0.08978209      -0.79575897
Li       7.24185000       4.94470998       2.47665996      -1.14247186       0.67420459      -2.40145800
Li       0.75172402       1.71676000       4.40452002      -0.34068710      -0.93350729      -0.78566197
Li       1.92189999       2.89904001       9.21881004      -0.78407349      -0.13939112      -0.54637396
Li       2.83004995       4.49744001       5.86798003       0.96161063      -0.95662038      -1.02421131
Li       1.05872001      10.49809995       0.97452803       1.39138063      -0.25373838       0.13089541
Li       5.59134999      10.50109998      10.42280002      -0.61985063      -1.51256496       2.36604023
Li       9.34547003       9.42204994      10.90420002      -0.25790477       0.79271961       0.19456041
Li      10.74089997       4.02877001       5.72317000       0.27780720       0.04945273       0.25112463
60
Lattice="11.69144674 0.0 0.0 0.0 11.69144674 0.0 0.0 0.0 11.69144674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-463.23302641 stress="-0.015702247738104056 0.003598950449745572 0.00494330679101119 0.003598950449745572 -0.023888270739395378 0.0034267747754667525 0.00494330679101119 0.0034267747754667525 -0.025656475769490896" free_energy=-463.23302641 pbc="T T T" config_type=melt 
Cl       7.84647001       4.79643005       8.12551000       0.32530752       0.19762585      -1.43089107
Cl      10.57790004       8.41667999      10.28739997      -1.10662233       0.46020377       0.04363702
Cl       0.99471098      10.62790003       0.46673097      -0.91037855      -0.49448919      -1.73129856
Cl       8.37188000       2.07028000       1.92867004       1.05159850      -0.47842885       0.08459323
Cl       8.78692005       4.74249998      11.03579999       0.52765437      -0.19481880       1.57775617
Cl       4.56343004       5.40889000       9.71144002      -0.02512304      -0.10671248       0.59677460
Cl       4.76564998       8.83529996       1.35424997      -0.23875829       1.90822349      -2.22357580
Cl       6.71110006       3.16634004       4.59439998       1.33687305      -1.36037018      -0.58213301
Cl       0.86041402      10.77230004       5.66808002      -0.89752357      -0.52770090       0.32566958
Cl       3.68651004       4.00545996       3.13987996      -0.47849476       0.26363495      -0.13848664
Cl       3.93964003      11.51250003       5.63160996       0.06381483       0.37237608       0.22462047
Cl      10.90480002       0.69399703       9.39329997      -1.10810096       3.96471342      -1.32304528
Cl       4.74995001       7.73787997       6.28350001       0.63263998      -1.06048698      -1.30982991
Cl      10.56729999       5.02756996       3.22498995       0.66518834      -0.44762181       0.19637572
Cl      11.54729997       3.11120996       5.33196005       0.54754515      -0.74532855       0.80227413
Cl       8.30449004      11.54939999       4.49473005      -0.15654990      -0.64690717       0.00172314
Cl       9.31862004       8.52529996       6.74469999       0.33953533       0.43684893      -2.37163943
Cl       7.21468995       6.18879005       2.31704996      -2.56827340       0.69581243      -0.66943801
Cl       2.32509006       9.93749005       9.07319003       0.24464249       0.99889790      -0.53552758
Cl       5.56532004       0.00671557       8.42467998      -0.87929739      -0.10809130       0.25053344
Cl       4.33312000      11.52769996       2.40530004       0.60141651       1.21950489       1.44102950
Cl       1.13530998       6.96100999       2.16821995       0.59977131       0.45175473      -0.47144048
Cl       4.98759000       2.25929001       0.37368798       0.61922166       0.74977576      -0.26549101
Cl       6.24300002       8.14214004      10.09960003       0.60617949       0.28131848      -0.59706072
Cl       1.09415994       3.18241005       0.18073305      -1.33890818       0.99776449      -1.64663268
Cl       9.50895995       8.51748002       2.89412995       0.50164624       0.31385316      -0.81058337
Cl       8.38780001      11.05190005       0.26394002      -0.54023526      -0.54160343      -0.67498477
Cl       0.31989505       1.24788996       2.38824000      -0.00960217      -0.94588591       2.00507614
Cl       1.00767001       6.34200003       8.40742001       0.11230521      -0.30129686       0.45880516
Cl       3.39818002       3.22691997       7.82739004       0.10057707      -2.38214008      -1.05969376
K        2.06808002       9.95676001       2.71776004       0.53236323      -0.49814745       2.02016132
K        4.76765004       6.96786995       2.80060002      -1.45883222      -2.74891781       2.71666507
K        1.52196997       7.90140005      10.72159996       1.18952123      -0.63909399       0.49436195
K        6.65780997       2.32196002       9.22341998       0.07430586       0.60636906       0.14662723
K        7.73716001      10.08980003       8.50257003      -0.04626044       0.37540502       0.33971956
K        7.80113000       5.54078004       4.94298000       0.72618795       0.88589950       1.39469927
K        1.06118001       5.94167005       5.78509001      -0.14641757      -0.23530709      -1.68800836
K       10.74889996       4.09095004       9.02640005       0.04242855      -0.21049359      -0.21697204
K        4.50816995      11.25280003      11.46710004      -0.24545129      -0.81992904      -1.82422567
Li      10.67529996       2.52661003       3.24073003      -1.18404734       1.05544558       0.83270045
Li       3.66725002       8.78585999       7.59217999      -0.53320050       1.04955927       0.84928154
Li       4.90028997       3.59746997       5.11203002      -2.17426498       0.08039561       0.39427221
Li       6.73140003       3.23737996       1.64798003      -0.91587199       1.45412665       0.07134206
Li       0.94951898       1.11243005       0.51928204       0.30640613      -0.53371812      -1.10425634
Li       0.51032405      11.30569996       8.57720005       2.22132524      -2.36534587      -1.88643607
Li       1.28265003       1.03842004       4.84493997      -0.04963510       0.57519048      -0.14756774
Li       2.94748995       5.10673999       8.11676001       0.13281789       1.83617641       1.05654896
Li       6.90963006       4.90830001      10.06479997      -0.94422884       1.27410955       0.01695870
Li      11.37309999       8.40607000       1.17685004      -0.89049133       0.18944545       0.10913012
Li       0.53946194       4.81949003       1.57307995      -0.32391123       0.31125974       0.59604034
Li       6.28665997       0.85405598       1.98263998       0.10265103      -0.04130566       0.21405843
Li       8.92488999       5.52775004       2.19725005       2.32464369      -0.86970466      -1.75074791
Li       9.16611997      11.21110003       2.30367004       0.06244511       0.05908550       0.71919897
Li       9.76290998       9.18515995       4.91571005       0.38852016       1.30165762      -1.10417984
Li       2.95626999       3.39442006       0.80536496       2.44317982       0.27421668       0.92677737
Li       3.26790995       0.97902503       7.76198996       0.82830528      -0.59124793      -0.56788517
Li      10.34060003      11.32210002      10.79479999      -0.97641879      -2.56268775       2.93878520
Li       9.08692000       7.84508002       8.41960998      -0.17734334      -2.36349061       4.09337414
Li       6.73067996       8.77265999       0.39592897       0.51748104      -0.14232956       0.11160685
Li       6.05710005      10.96999995       4.76690003      -0.44425649       0.32295120       0.08085318
60
Lattice="11.69144674 0.0 0.0 0.0 11.69144674 0.0 0.0 0.0 11.69144674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-469.04857515 stress="-0.004541080443657414 0.001640625469049411 -0.00025875735210328693 0.001640625469049411 -0.01280263814469961 0.0018273637512811224 -0.00025875735210328693 0.0018273637512811224 -0.007032810361677699" free_energy=-469.04857515 pbc="T T T" config_type=melt 
Cl       5.94975994       9.32211005       0.09798414      -0.41351626       0.27216523      -0.84043289
Cl       5.31531996       5.97179996      10.94030005      -0.21765507      -0.08300864       0.32330274
Cl       8.54726001      10.92579996       3.09578005       0.06289580      -0.07262116      -0.21989654
Cl       5.89194001       8.15570995       7.80770994       0.70188123      -1.38201283       1.19566660
Cl       9.45799004       0.52800397      10.13940005       0.53944524       1.39471136      -0.88073407
Cl       0.24349800       4.65119002       4.25109994       0.54840516       0.16466782      -0.17682461
Cl       1.72318994       9.47545004       5.13454997       0.27796967      -0.51978010       0.49773755
Cl       3.79933998       1.03174001      11.65505372      -0.07457821      -0.13918729       0.10845233
Cl       8.39437002      10.67270002       6.78844003      -0.16348210       0.11313511      -0.43575842
Cl       2.82054001       3.86578002       8.14111996       0.16010966       0.53263510       0.16896771
Cl       0.10500801       1.82631002       0.81027501       0.23963074       0.48254924       0.64787543
Cl       9.10665002       2.67251998       4.03234000      -0.54254435      -1.41866554       0.70264707
Cl      10.39409997       8.06768002       4.76592999       0.17695439       0.08903898       0.04780922
Cl       9.66568005       6.09779996       7.36648994      -1.02859021       0.75823063       0.43001391
Cl       1.21363004       0.69572397       3.97749998       1.81532628      -1.55910943      -1.08708264
Cl       4.23282001       1.17905002       7.18657003       0.20765065      -0.46826240      -0.27735535
Cl       1.92477995       7.31787001       8.33440997      -0.73919962       0.26875856      -0.87814853
Cl       4.94504997      11.19970005       3.58422999      -0.19223823       0.97890331      -0.33483098
Cl       8.96512003       9.24647996       9.72976005      -0.85081103      -2.05890507      -0.41893562
Cl       6.77684001       3.74092998       8.11403006       2.58679195      -1.00673968       1.48796119
Cl       6.09873002       5.50321004       5.85129002      -0.96122256      -0.35907303      -1.70934690
Cl       1.92950995       5.24220002      11.28930002       0.09751212      -0.78127488       0.42344960
Cl       4.50729005       2.76119996       2.57890002      -0.59221507       1.29759806       0.50175955
Cl       2.52638999       8.45197998       0.96020297      -0.72998811       0.75901091       0.19670520
Cl      11.31020000       1.83515004       7.23869004       0.04978417      -0.17847494      -0.60502157
Cl      11.32279999      10.13289996       0.78610400       1.19883278      -0.31238699       2.18360454
Cl       8.80900005       5.74680999       1.21329999       0.33753974       0.27152034       0.89047109
Cl       7.52254994       1.24619002       0.71083505      -1.51388412      -1.04582397       0.91486857
Cl       5.17744998       8.11158000       3.54196997      -0.32113556      -0.49625228      -0.65585168
Cl       1.95545000      10.80980000       8.96833997       0.62945285       0.55810471       0.34203575
K        6.85840995      11.34330001       9.22670002      -0.51742273       0.08461809       0.58411522
K       11.35590000       9.57496997       8.09926002       0.16386482      -0.10184591      -0.49919219
K       11.50210002       7.12086995       0.07281258      -0.38115433       0.21843968      -0.05860628
K        5.35395002      10.08169996       6.26012997      -0.64239440       0.94661662      -1.19391306
K        6.22047001       2.04260997       5.30859995       0.47255504       0.34591043      -0.32134244
K        8.63807998       3.39512002      11.50610001       0.67987075       0.63157404      -1.22096504
K        2.71125994       5.30273996       2.51630998      -0.21959895       0.17610209       0.00447897
K        1.22244002       2.12709003       9.89782004       0.11442258      -0.34757944      -0.19430549
K        0.33087203       4.86823997       7.17743995       0.38271357      -0.57985494       0.35508904
Li       6.37358997       8.13540997       9.91474002       0.39123871      -0.61820261       0.35859834
Li       7.41815000       6.01403005       7.39958001       0.10899158      -0.18260778       0.71029379
Li       5.88792002       1.19501001       2.28229994       0.57349611      -0.20580698      -0.40038638
Li       9.09281997       8.29364996       6.77748000      -0.16146805       0.00324596      -0.36893641
Li       4.91894999       3.76486004       7.55611001      -1.89337911       0.02615373      -0.55753814
Li       0.12429095       2.09059003       4.72499005      -2.04542285       2.17997107       1.08764583
Li       2.79222999      10.45340004       3.52103994      -0.10250238      -0.33541965      -0.06418441
Li       9.73994003       4.34628001       3.16719994       0.54759694       1.67281319      -0.75370856
Li       4.59873003       3.51515003       0.41606796      -0.01017449       0.00064526      -0.66483330
Li       3.14832001       5.98153998       9.47568995       0.33840650      -0.50631695       0.26420143
Li       2.06707000       0.41734104       6.44342006      -0.01272864      -0.22271001       0.47417758
Li       6.14332003      10.44099998       1.85952998       1.07370072      -0.17871458       0.80220550
Li      10.55419996       9.83173998       3.13733005      -0.22912231      -0.30839613       0.18446517
Li       1.23759997       7.08558996       5.47139002      -0.37954402       0.87588365       0.04061181
Li       6.24493998       6.25779005       3.78923004       0.44670865       0.05654336       0.08968390
Li      10.09299997      10.37269995      11.01439997      -0.99831989       0.62817449      -0.92501933
Li       3.53886005      10.44090002      11.33549994      -0.44659913      -0.26880105      -0.41875492
Li      10.04870003       0.61331704       1.50431998      -0.58767024      -0.30170827       0.11777339
Li       2.27438998       1.15913001       1.84950001      -0.34515048       0.45979053      -0.30366972
Li       4.46113000       7.81130997       0.91847105       1.28269576      -0.63412088       0.04077585
Li       8.92053002       1.02498995       7.38398000       1.10726836       0.42615187       0.28813159
60
Lattice="11.69144674 0.0 0.0 0.0 11.69144674 0.0 0.0 0.0 11.69144674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-466.12259213 stress="-0.013158156302064548 0.0020724252163547736 -0.0013770669983302756 0.0020724252163547736 -0.02329915238144012 -9.832564522214755e-05 -0.0013770669983302756 -9.832564522214755e-05 -0.013750802722985286" free_energy=-466.12259213 pbc="T T T" config_type=melt 
Cl       1.89666003       1.38383003       6.89306000      -0.32388489       0.14621071      -1.60058220
Cl       3.25072002       3.21664997       3.79877003      -1.43280127       0.44699007       0.16853252
Cl       4.48189004       8.32800002       6.81326997      -0.14576944       0.04276317       0.27691641
Cl       9.70977002       6.67269003       5.38393005      -0.94286469       0.51853858       0.10418475
Cl       0.05596392       4.04583005       1.46368998      -0.46624346       0.56712752      -0.43025231
Cl       0.20707095       4.56935995       5.49088995       0.86861404      -0.72097573      -0.46470225
Cl       8.41874002       5.13687996       0.42278306       3.72632009       0.45390222       2.90181890
Cl      11.44149998       9.36342996       7.99280004       0.28925814      -1.03871896       1.38635437
Cl       3.35111996       5.11278996       7.59952000      -2.04008970       0.13656220       0.36564484
Cl       4.86919996       0.56177495       3.15799994       0.12391415      -1.40002244      -0.66540180
Cl       7.69185998       9.93804996       6.93879005      -0.31101659       0.44898010      -0.33220186
Cl      11.30049996       5.59358002       8.85130005      -0.64346740       0.53422286      -0.17411000
Cl       4.98287005       6.22847000      11.00990005      -0.18909610      -0.44509165      -0.24049940
Cl       9.11900998       0.09187115       9.93004003      -0.53450483      -0.19949529      -0.24589357
Cl       7.69238995       4.82137995       8.30601004      -0.40980513      -1.55077280       0.40349667
Cl       4.68765003       8.37719002       2.54912004      -0.24530572       1.08966471      -0.23647093
Cl       2.60419003       9.08059996      11.04180004       0.10349416      -0.56262680      -0.17502347
Cl       5.03034995      10.35620005       9.45848996       1.17160470      -0.26814467       0.68061186
Cl       7.88529006      10.11650002       2.17283994      -0.10513740       1.32136830      -0.32217502
Cl       7.50829994       7.79874003       9.42722996       0.49523888      -2.09704967       0.30561412
Cl       1.55606995       6.95817996       2.71778997       0.07085807       0.94663089       0.11526181
Cl      11.22160000       7.08740003      11.55020003       1.07889368       2.73697539       1.25301179
Cl      11.55459999      10.68740003       1.24204003      -2.85836215       3.48642505       4.67825377
Cl      11.54479999      10.09170000       5.15788002      -0.08357123       0.39100486      -0.65929806
Cl       6.68782999       2.13128001       0.28752202      -0.15493028       0.08879556      -0.00735863
Cl       5.13702996       0.79986799       7.20345997       0.17137831       2.31606677      -0.36816007
Cl       5.52837004       4.12899003       5.56585995       1.90122261      -0.25126983       0.93524317
Cl       3.16020004       2.31529999      10.49050004      -0.28602502      -0.66207368      -0.53300369
Cl       5.66498003       5.54923003       2.74117006       0.17383156      -1.07207694       0.02579065
Cl       9.77533998       1.46066003       3.66220002       0.53133253       0.40055059       1.10700382
K        4.11080995       3.70279997       0.98348298       0.29309986       0.23472391       0.17080874
K        1.12642997       1.85849997       2.37558004       0.15125730      -1.64297911       0.47138942
K       10.58750000       0.50297902       7.41246001      -0.05573886      -0.30067445      -0.35970866
K        2.41647999      11.31290003       8.75568004       0.02414200      -0.71644648       1.12517367
K        8.40757002       3.77718995       3.13673998      -0.37312064       0.55870617      -0.41821130
K        1.29996998       3.53689998       8.37174999       0.07115617      -0.47650398       0.81530967
K        3.43579994       6.25023994       4.98169003       0.05250523      -0.16219903      -0.91714531
K        3.36955001      10.18779995       4.52930002      -0.41654576       0.02455711       0.05300237
K        7.62297000       7.55201999       2.47881002       0.12828894      -1.26441118      -0.02295284
Li       9.41199004       9.04638996       6.08018002       1.14279200      -0.17775540      -0.22071148
Li       5.39507001      10.50639994       7.04491997       0.75945629      -1.65860685       0.31446691
Li       0.04364628       8.74199005       3.57136005       0.17808851      -0.42781608      -0.87403774
Li       5.57041003      10.35949996       1.69002002       0.21192042       0.05839960       0.64367506
Li       5.77412998       0.51121798      10.78689997      -0.03937976       0.30413274      -0.31341367
Li       0.41657502       5.24199998       3.25693004      -0.14083242      -0.38164107       0.45320677
Li       5.21743999       2.48838999       3.80367003       0.63935368       0.78043046       0.13537015
Li       3.48706004       7.23375005       0.82331905      -0.09902567       0.48007388       0.27889544
Li       7.56178995       9.74897004       9.22341004       0.31438408       2.54908603      -0.12378813
Li      10.80709998       5.19440000      11.56370003      -0.84164007      -1.80974454      -0.10030220
Li      10.40410002       4.71309997       6.95798997      -0.29327191       0.61734964       0.05393505
Li       3.97415997       2.75013997       6.23470996      -0.97270951      -0.42716986       0.07464256
Li       5.16383997       7.82559996       9.49519000      -0.07663719       0.88579621      -0.05037175
Li       1.41432004       7.49516004       8.43427994      -0.44051539       0.14491321       0.14904453
Li      10.13360004       7.46983999       9.87037004      -0.69462852       0.43869502      -1.08707245
Li       5.23275999       5.45229005       7.82521005       2.25886726       0.15443614       0.05939393
Li       8.11711005       6.28793995       6.90736005      -0.08750594       1.13876908      -0.50225789
Li       7.09254999       5.04729997      10.91520003      -3.37408214      -0.26933297      -2.88560000
Li       0.67008101       9.74432000       0.04488265       2.36705330      -3.64751598      -4.10619786
Li       9.46563998       0.02184675       2.25602997      -0.03741609      -0.90835216      -0.97125339
Li       6.71918002       2.49388006       7.64991002      -0.18240074       0.09661884      -0.09789580
60
Lattice="11.69144674 0.0 0.0 0.0 11.69144674 0.0 0.0 0.0 11.69144674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-465.84921145 stress="-0.009106810679033971 -0.004549326756722077 -0.0023924716914705837 -0.004549326756722077 -0.0203829998615843 -0.0043903267147212145 -0.0023924716914705837 -0.0043903267147212145 -0.017387971768112322" free_energy=-465.84921145 pbc="T T T" config_type=melt 
Cl      11.07870000       4.93058999      11.18059996      -0.25637110       0.20123359       0.06012736
Cl      10.60680001       3.52758002       2.59460000      -0.57398416      -0.45096941      -1.13375152
Cl      11.33329996       2.01044996       5.37622001       0.47455576      -1.55250088       0.23048468
Cl       9.04272002       6.08061003       6.05620998       0.24604123      -0.41642765       0.28093497
Cl       9.29455998       0.28046705       1.78234995      -0.55214333      -1.76739732       0.29794557
Cl       6.08744999       4.96429000       4.50652006      -0.39274762      -0.11078371       0.06234558
Cl       6.78714999       1.68416997       5.12279995       0.08644735       0.09421637      -0.02079275
Cl       1.57085998       2.87121004       8.20678999      -0.16505966      -0.08716507      -0.58907949
Cl       7.07662998       9.74304995      11.52270000       0.20195499      -0.41571872      -0.21404827
Cl       5.53834004       7.74553997       7.58271998      -0.21447765       0.45972385      -0.09630024
Cl       9.91866004       0.59477605      10.45699996       4.18126670       4.83132903      -0.96017751
Cl       4.59980003       1.22773998       9.14478004      -0.62714729      -1.58087418      -0.26763961
Cl       1.77654000       6.53011003       9.60679000       0.40015589      -1.35252909      -2.37389648
Cl       5.80677004       4.18365000       8.37317998       1.29279099       0.70282306       2.78103821
Cl       2.54028996       7.10914004       1.76503994       0.40842155       0.30131377       0.67162861
Cl       4.01880995       0.01063548       4.46738002       0.69935404       0.49788168       1.66713064
Cl       6.66447001       3.08799004       0.89624900       0.93979335       1.32408125      -0.73114406
Cl       1.81482996       0.47664602       1.49723005      -2.50808591      -2.21017583      -0.94907712
Cl       5.48834004       0.37650399       1.32719000      -0.81283722      -0.40220615       0.41371508
Cl       9.03998995       6.93331997       2.52471005       0.86049525       1.65166201      -2.33528683
Cl       7.39400003      11.61790006       8.06101005      -0.01488578      -0.29230790       0.18516367
Cl       2.32322995       2.57924001       3.66406995       0.52597427       1.39653799      -0.06620488
Cl      10.25630002       8.26702000       8.09665996      -0.27969876       0.55094480      -0.18463010
Cl       2.04194005      10.57199995       7.64666997       1.54438742       0.07230889      -0.09116257
Cl       7.84572001       6.01897003      10.15249997       0.28948860       0.15933718       0.72683851
Cl      10.62120001      10.77859997       4.63838005       0.01287865      -0.91855834       0.29261946
Cl       3.17567005       3.36682999      11.31290003      -0.29141792       0.29417942       0.64377863
Cl       0.71049202       8.82175004      10.78349998      -0.75387975       1.23388771      -0.36731902
Cl       1.23524998       7.71356001       6.18209997      -0.57053436      -0.28106734      -1.32540432
Cl       6.09813995       8.40909996       3.24634005      -2.07683398      -0.87064658       2.40173352
K       11.16050003      11.04800002       7.76215001      -1.58763144       0.76518464      -0.14585825
K        6.75164997      10.38709995       5.50058999       0.43789885      -0.33475274      -0.02236233
K        0.13932697       9.45418996       1.58007997      -0.55495166       0.29707561       1.11745595
K        1.64792006       0.59539195      10.12080001       0.12352644       0.13748763       0.10859614
K        0.17327800       4.54011005       4.79125998       0.58878025       1.54465224       0.47893314
K        9.29406999       2.85030994       6.89242995      -1.19400159       0.28725094       0.63125530
K        4.45440005       6.28537005      10.04350003       0.74560923       0.02144980       0.02575729
K        5.75600005       6.13252005       1.81724997      -0.05987847      -0.68485141      -0.48298439
K        3.80281001       7.06076001       5.28180000       0.62200702      -0.17584271      -0.25891741
Li       1.52675996       6.84604005      11.58510005      -0.64781060      -0.03521144       0.89538921
Li       5.14121000       2.80212996      10.30130005       0.33610156       1.05234912       0.73333666
Li       3.38323999       1.43516004       2.00471004       2.63620847       1.23119618       0.45074571
Li       2.22395004       1.10577996       5.28311996      -0.77174169       0.03787133       0.51002409
Li       8.79967004      10.96539995      10.59949999      -4.10011042      -4.53982712       0.22970947
Li      10.78439998       8.79860004       5.13041996       0.21414367      -1.64246958       0.82862729
Li       1.03061997       2.76164002       1.75652997      -0.32535469       0.26393172      -0.03817059
Li       8.56753999       5.77373995       3.95541998      -1.05837094      -1.64187974       1.92898267
Li       6.38853000       2.18501004       2.90536006      -0.10061569      -0.28274232       0.53695062
Li       8.62326002       1.87385002       0.75778206      -0.11960331       0.72118212      -0.74221119
Li      10.46270001       0.71627403       3.38169999       0.61082775       1.66978912       0.69184591
Li       7.05941000       9.63716005       2.22106997       1.65870431       2.23378441      -2.45400369
Li       0.96321901       4.35334001       9.68110996       0.32867974       0.07577203       0.09140046
Li       5.53451997      11.21369997      10.57640003       0.33825765       0.18908677       0.14797281
Li       4.83025002       0.03605327       7.30161995       0.13024288      -0.00911561       0.12755478
Li       0.84098704       8.31416003       8.21965000       0.36149046       0.02823894       0.53799731
Li       8.83888000       4.71985996       0.16732705       0.13333236       0.44711818       0.03245829
Li      10.38099994       7.32553001      10.02529995      -0.06324871      -0.52997367       0.45452204
Li       7.14908994       6.29865002       8.03229995       0.42131125      -0.14583430      -0.47347617
Li       3.29619004      10.33200004       3.27640004      -0.36833463      -1.20259215      -1.51355725
Li       5.06558002       3.76032995       6.72648004      -0.80936959      -0.84046040      -3.43754359
60
Lattice="11.69144674 0.0 0.0 0.0 11.69144674 0.0 0.0 0.0 11.69144674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-466.471891 stress="-0.01050402460722263 -0.0020610073678089215 0.0010548306398055762 -0.0020610073678089215 -0.022092389210077282 0.00216176529792988 0.0010548306398055762 0.00216176529792988 -0.01120318005953517" free_energy=-466.471891 pbc="T T T" config_type=melt 
Cl       9.89009001       6.94420003       1.85350000       0.75667980       0.14642177       0.07635967
Cl       7.74459998       8.40287005       0.28882503      -1.80622717      -0.85867656      -0.48500117
Cl       6.22420999       0.02485321       8.36788001      -0.94907658      -1.28022265      -0.30626982
Cl       3.01400996      11.08159995      11.00620006       0.03322804      -0.25145560      -0.53471112
Cl       8.81886997      10.05799999       9.12972999       0.88593098      -1.08853515       0.76163289
Cl       6.76672995       7.50200001       7.64874006       0.05372068      -0.62991461       0.13645331
Cl       2.39757001      11.25150005       3.27828003      -0.70423700      -0.51370858       0.81363052
Cl       3.28068999       8.58398003       6.05956999      -0.70821422      -0.08225892      -0.35135176
Cl       2.04318998       4.47648005       9.76658998      -1.62162239      -0.28705245      -1.89812696
Cl       8.67386996       1.45957003       4.27867995      -0.62353943       2.03087262       1.54813874
Cl       9.35360003       5.49035004       9.52479999      -1.24518875      -0.70538895       1.13602849
Cl       7.84114000       3.24617999       7.25384005       1.36635414       0.60088321      -0.77207349
Cl       6.48169002       2.29652002       1.62988998       2.08776709       0.99550754      -1.01033237
Cl      11.68602647       4.44393995       5.46549998       0.45584801      -0.69132185      -0.28505305
Cl       1.29388996       4.63913006       1.01888994       0.20029098       2.51981315       1.38617684
Cl       0.22314295       0.11182799       6.82655005       0.16302307      -0.74571086      -0.41649929
Cl      11.04359994       6.75414001       7.46621997       0.31330673       1.12062269      -0.00189740
Cl      10.64639999       0.25986696       1.50895003       0.24027421      -0.38356117      -0.24854777
Cl       8.79969003       9.81476997       4.86468004       0.03049100      -0.90635526       0.72552550
Cl       8.59652998       4.52975003       4.24577005      -0.26239772       1.75631712       0.10166278
Cl       0.21577196       8.19051001      11.11739998      -0.65463133       0.04452607      -1.29733184
Cl       0.41453205       7.87035996       4.22679997      -0.42393602      -0.82766105      -0.44972339
Cl       5.00751001       9.13138000       2.00575000      -0.12782048      -0.10875534      -0.11779958
Cl       3.34003004       2.40617994       1.22736995      -1.01873954      -0.71676977      -0.80564677
Cl       3.72476001       7.16573003      10.46880002       0.19822141       0.09135355       0.25084859
Cl       5.26850998       5.29896000       0.96168206       0.01685791      -3.84797446       0.96656311
Cl       9.93248004       3.72934996       1.01955004      -0.20675885      -0.10059199      -1.18089613
Cl       5.16460996       3.24897004       8.68073003      -2.55414147       2.46927148       1.36340708
Cl       4.29320002       3.82714002       4.73511005       0.60673510      -0.35085891      -0.30554522
Cl      10.12239999       1.40867997       9.88982999      -0.03419047       0.49079011      -0.17129471
K        2.85574997       5.58894003       6.33077005      -0.48461101       0.37901081       0.20367718
K        5.64634995       9.63720998       4.89698000       0.34699173      -0.29837672       0.05351960
K        6.04242997      11.01390004      11.22809997       0.31105447      -0.14032565       0.20542970
K       11.39290004       1.09432000       4.18111003       1.01219721       0.15256804      -0.00511907
K        3.98040004       9.22762995       8.60901002       0.71781419       0.65811458       0.33746627
K        0.47277896      10.68389996       9.42136997      -0.63683498       0.04690801       0.31663034
K        4.92187004       0.51175298       2.46289001      -0.63178975      -1.27776199       0.96736765
K        1.51584997       2.43380999       7.79649001      -0.00897055       0.18117468      -0.16622969
K        1.92830994       8.01148999       1.49954999       0.81741766       0.00446620       0.77338931
Li       3.62311995       4.51664006      10.99830003       1.30044963      -0.07077160       1.19862487
Li       4.16215995       4.06014003       2.43332000      -0.00884444      -0.22724383       0.23908265
Li      10.10809995       7.69563001       5.59463996      -0.05341097       0.25134619      -0.21215989
Li       6.66340001       3.81950001       4.94981003      -0.11853105      -0.28434416       0.05795693
Li       1.74094001       6.67868996       9.61227995      -0.56497163       0.04100822       0.28938830
Li       8.52683996       2.69604002      10.99999997       0.51435125      -0.23000511       0.36326301
Li       5.44753000       7.04067995       0.53050594       0.48610266       4.86526011      -0.95024420
Li      11.36070004       5.90020995       3.29569000      -0.07864635      -0.54069546       0.06149749
Li       8.27781998      11.55910003       7.69512002       0.77809896       0.10906641      -0.36080391
Li       1.07595999       9.57151001       5.13890000       0.91321179       1.21199218       0.56170256
Li       0.66771700       2.86513002       0.30285699      -0.60462006      -1.00754890      -0.33445733
Li       6.45170999       1.99750998       8.13448003       1.11092586      -0.72299612      -0.58459099
Li       2.13790999       0.05995327       1.17584001      -0.40239180       0.51170437       0.16679451
Li       9.46931004       9.31472994      11.56870771       1.48253265       0.93835721      -0.22038190
Li       9.34849999       3.07171005       2.93486003      -0.44915504      -0.51126909       0.00036223
Li      10.56900004       6.34339996      11.12509997       0.56176244      -0.07632218       0.95669837
Li       8.70902006       7.63438004       9.08517996      -0.34584570       0.64485068      -0.45395595
Li       8.42871002      11.42450003       3.60621997       0.11094705      -2.15723253      -1.78733665
Li       8.51829000       5.50013999       1.08252006      -0.61094647      -0.17676198       0.40093787
Li       6.91899000       5.08238998       8.24199996      -0.47113177       0.19615089       0.13095718
Li       9.68512000       4.84919998       7.42072002       0.53883631      -0.35992845      -0.83779212
60
Lattice="11.69144674 0.0 0.0 0.0 11.69144674 0.0 0.0 0.0 11.69144674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-466.40122251 stress="-0.013400188051227368 0.00303382230579107 -0.0003588202028019507 0.00303382230579107 -0.017399251298574437 -0.004034862234334758 -0.0003588202028019507 -0.004034862234334758 -0.01282447571837643" free_energy=-466.40122251 pbc="T T T" config_type=melt 
Cl       7.06872995       7.40887003       7.35966997       1.38766987       2.25553326       0.60070516
Cl       0.10578199       3.14182003       9.46359994       2.72248549      -0.81752491      -1.38229561
Cl       5.24430003      10.11070001       3.62029004       0.37535672      -0.09392614       0.09225486
Cl       7.06410002       0.90591596       0.82814504      -0.41093635       0.09374141       0.54509761
Cl       3.23378998      10.19290000      11.29630004      -0.24058661      -0.02794532       0.54076343
Cl       0.75675601       1.82760999       2.42802003       0.26410984      -0.25177228      -0.01510248
Cl       5.65721995       4.67043998       7.52732005      -0.53164078      -0.98519363      -0.42209922
Cl      10.96770001       8.78912003       9.07597003       0.81392943      -0.37870699      -0.86663050
Cl       8.08627000       6.49553994       0.68408596       0.71517898       2.13622925       1.04489876
Cl       1.21878995       7.24329997       1.12240999      -3.22319569      -0.58707503       0.60212986
Cl      11.05399995      11.35969995       0.03556304       1.64340645       0.90971631       0.16664813
Cl       8.63533004      10.32370004      10.49170005      -1.75361478      -0.07664499      -0.25163150
Cl       1.82700005       4.96014001       7.22438999      -0.43442709      -1.20198209      -3.56256873
Cl       5.68528001       1.05915002       5.95093002      -0.60106364       2.04800065      -0.39883300
Cl       3.71017002       7.89065000       6.82092004       0.47153822      -2.84481667      -0.48939766
Cl      10.12429997       9.62949000       2.51857005      -0.65338886      -0.27316765       0.69995114
Cl       7.73006997       2.26648001       8.93927001      -0.16079553      -0.15585733       0.42920348
Cl       1.56323996       9.69293995       4.38552001      -1.27548394      -0.90205409      -0.94850190
Cl       1.75260995      11.57444272       7.39982003       0.18119348      -0.21610344      -0.24085186
Cl       4.58163000      10.21490003       8.34918995       0.62066751       0.82794591       0.73906483
Cl      11.06050005       5.51673997       3.37563997       0.01638332       0.41521606       1.16295723
Cl       3.84011998       3.89713999      11.33389997       0.11753259      -0.43601821       0.04867115
Cl       9.86078995       2.90441001       5.36531995       0.54333604      -0.18235600      -0.32243670
Cl       4.28381004       3.25491000       4.19865001      -3.49074820       0.68143241      -2.70063967
Cl       6.56623005       5.92774998       4.29921995       0.85836155      -1.05506739       0.24505724
Cl       4.08795995       6.80406997       2.44721996       0.20206152      -0.12842946      -0.27859582
Cl       8.96069996       3.74479003       1.66084998       0.31107066      -1.77799475       0.09017699
Cl       8.10902004      10.78969995       7.00924995      -0.51658114       1.58863715      -1.97185183
Cl       3.22301000       7.21355003      10.07380005       0.12687302      -0.55660186      -1.00492007
Cl       9.40178995       5.01350000       7.77662005       0.22938582       0.91059175      -0.20258216
K        9.90685998       8.18091998       6.05707000       0.13041666      -0.06879889      -0.41829685
K        2.46484996       1.19606002      11.38950005      -0.67599299       0.27212160       0.22690098
K       11.07109998       0.82706194       8.52349995      -0.99756617      -1.58701666       0.08605835
K        7.12151999       4.87043001      10.66010003      -1.24670255      -1.30784019      -1.36598527
K       10.42079997       4.45934998      10.89659999      -1.74258284       2.01607409       2.00592251
K        7.95022996       1.16517005       4.31695003      -0.07112667      -0.93261514      -0.85404556
K        2.63639996       0.50597998       4.24767002       0.87022958       0.52635668       0.32943807
K        3.80241004       1.86724002       8.25628994       0.18807342       0.20121021      -0.02968335
K        6.00699998       9.44648998       0.45556599       0.14394839       0.03069093       0.15307398
Li      10.01890005       7.92960999       0.90934997       0.19329441       0.25536885      -0.12603834
Li       2.00620000       9.49173997       9.32671005       0.21816823      -0.15764469       0.07861592
Li       0.15745327      11.07639995       2.27059996       0.05860795      -0.06934364      -0.46194739
Li       2.68883996       9.35906999       6.12336998      -0.62467841       1.77084904      -0.05232132
Li      11.05699998       4.81805000       6.08236994       0.25385615      -0.26734965       0.00553628
Li       3.68505995       3.98256004       1.93066004       0.13054686       0.71945836       0.06504998
Li       5.75120001       7.81500997       3.82254996      -1.05279368       0.96375854      -0.27446991
Li       5.28029999       7.71885997       8.36112995      -1.17366405       0.45582724       0.53854171
Li       3.82710004       5.02341002       6.17379004       0.06063506       0.63964985      -0.13864510
Li       5.81032997      10.99299995       6.74916004       0.44957144      -2.24630565       0.61509072
Li       9.11776005       9.57875005       8.08163002       0.58440097      -1.22127472       2.97678472
Li       5.71256995       3.16199000       5.32749999       2.77297925       0.25435494       2.66660026
Li      10.83920002       3.20919995       3.01494001      -0.32314561       0.39516193       0.04470722
Li       9.07873003      11.60260005       1.01266998       0.04117828      -0.49277240      -0.63252856
Li       0.79343699       7.30298995       3.35903005       0.51352411       0.35928668      -0.42067030
Li       9.09178996       2.87553997       7.42592996      -0.07386854       0.22622594       0.01849218
Li       7.37592003       5.75274995       6.34393005       0.20143633      -1.52715687      -0.09348561
Li       7.96425000       5.24774001       2.72095999       0.00869738       0.68375479      -0.12544633
Li       1.82060997       5.52163004       9.00327998       0.32405168       1.12359517       3.37831675
Li       2.91434002       7.82769998       0.42610904       1.93904296       0.80215316      -0.12882821
Li       6.98849004       0.71120894      10.31540005       0.59138448      -0.73558541      -0.01537871
60
Lattice="11.69144674 0.0 0.0 0.0 11.69144674 0.0 0.0 0.0 11.69144674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-462.60713285 stress="-0.028689556415477064 -0.004341445562054728 0.0009997139698619676 -0.004341445562054728 -0.02392201550217503 0.0005317578342733485 0.0009997139698619676 0.0005317578342733485 -0.02796223526069817" free_energy=-462.60713285 pbc="T T T" config_type=melt 
Cl       2.69874998       1.31969999      10.36300002      -0.63358212       0.00583850       0.18619559
Cl       6.73099995       9.56967001       3.68409003      -0.01680914       0.92757034      -0.74010068
Cl       2.55780000       6.10322000       6.11456000       0.31014375      -0.19581449       0.11406109
Cl       8.64224997       3.93570995      10.35320002       2.18999110       1.68940758       1.70391947
Cl       7.71769001       4.15351003       7.51711997       0.01249864      -0.10070357      -1.00151589
Cl       1.86763999       3.60131003       2.99505999      -0.93854093       1.95313778      -1.61395023
Cl       0.66536398       4.83532995      10.71870002       1.90309852       0.72401661      -0.50236451
Cl       3.70788002       6.12689998       1.77494003       0.22518067       0.58679723      -0.11213760
Cl      10.26240004       1.56871004       0.48907403       0.38644416       2.27610722      -1.58110236
Cl      10.26189999       2.08051002       4.61955998       1.59793123      -1.20863965      -2.57253708
Cl       7.50128998       7.25773002       1.47929000       0.35435947      -1.33772252       0.75863184
Cl       9.93404003       4.96254003       2.20317995       2.08614312      -0.32864847      -0.93681667
Cl       0.16785398       8.38692000       2.50566995      -0.35120882      -0.33830926      -0.23048350
Cl       5.65109001       1.00898998       8.92008002      -1.55971987       1.77082194       1.52131710
Cl       7.63228996      10.24349999       0.30427002       0.94564417       2.53056883      -0.72822479
Cl       1.43383996      11.36320002       4.83397994      -1.30736300      -0.79229510       0.44771376
Cl       8.41431002       0.00895331       8.43979994       1.81101958      -0.50266393      -0.23706090
Cl       0.55137097       1.66272996       7.33351994       2.05109324       4.23310459       4.52008637
Cl       1.86414997       7.87116001      10.06950005       0.89451055       1.48924581      -1.02786605
Cl       7.85411002       6.90402003       4.89275004       0.86110371      -0.15359666       1.96287849
Cl       2.12625000      11.43849995       1.62173005       0.98447369       0.31732165      -0.68378599
Cl      11.54190004       9.56753001       7.58910000      -1.00893932      -0.00948169       0.08106622
Cl       5.24965998       9.76283995       6.44123995       1.07397505      -0.56954628       1.80282995
Cl       9.33023000       7.80537995      10.11010000       0.40138612      -0.14778591      -0.18410270
Cl       5.31709005       3.54881999      11.12070001       0.98634980       1.44175612       1.11376499
Cl       5.85638994       8.76152997       9.77689003      -0.85068139      -0.48110811       0.15091747
Cl       7.03875005       4.52207997       2.78648002      -1.48833414      -1.79792419       1.28885495
Cl       4.56443001       2.10610996       2.67567995      -0.34870852      -0.78313129       0.16884767
Cl      10.01500002      11.50799999       2.47637995       1.75237090       0.33580084       2.05918730
Cl      11.36380002       6.04809997       7.59356005      -0.50120827      -1.58757098       1.24694244
K        4.02407005      10.98150000       4.52688995       0.63273858       0.82426373      -1.98824097
K        7.17947999       1.95163006       1.92603000       0.98457108      -0.75682692      -0.50013883
K        2.52676997       9.87052004       7.33152994       0.44717010       0.29208189       0.34792536
K        4.50476996       6.49419005       8.34362002       0.72764293       0.28913594      -0.09158467
K        1.56068000       2.37934001       5.13677999       0.77917995       0.00092782       0.45796850
K        4.81138996      10.98610000       0.51068999      -0.58334235       0.58724657      -0.31037165
K        8.67844996       9.13573004       6.43150004      -0.17378880       0.40927296       0.05454927
K       11.33250003      11.17929999      10.65599996       0.29855628      -0.17314288      -0.41060531
K       11.40009998       6.87439999       5.16695994      -0.02488034       0.69424334      -1.98286162
Li      10.79269998       2.63812001       2.32297005      -0.05510943       0.19553904       0.58272889
Li       2.53406005       6.57904996      11.39451872       0.16272022      -1.44656210       1.99588158
Li       2.83760006       5.59741002       3.90844994       0.02432914      -0.30014285      -0.58743112
Li       4.26049998       2.68860005       9.70004998      -0.75815533      -1.46227733      -0.85033556
Li       1.62271996       4.85009005       8.62833002      -1.06907093      -0.10418722      -0.24658114
Li       9.61531003       7.00515000       1.00029996       0.71022985       0.00280025      -0.28806465
Li       6.39429003       7.31811997       3.48201997      -0.57709844       0.42759374      -0.51188745
Li       0.37204194      10.67839995       2.21637994      -1.02993517      -0.88758309       1.13918652
Li       2.10225003       2.04542995       1.54862998       0.88507577      -0.52587767      -0.70095339
Li       6.66469998       8.55518996       0.29465322      -1.44584970      -0.68363748      -1.52239250
Li       8.44305005       5.65268998       3.40854005       1.14441740       0.82447231       0.36392585
Li       5.68323003       4.99196997       1.45741004      -1.42106713       0.12810088      -1.58261425
Li       8.66329995      10.27969999       2.14521995      -2.12540402      -2.25593502       0.42887368
Li       7.66134004       9.93793000       9.61013995       0.55114307      -0.05495683       0.54339723
Li       6.50846998      11.60910002       7.61001003      -0.06513457      -1.42231438      -1.94226702
Li      10.68890004       3.98718003      11.39940001      -1.70264157      -1.17913189       0.65663058
Li       0.13505328       7.54197002       8.99296005      -1.31194408       0.72090471       0.08949116
Li       9.25978997       5.56598996       8.77573005      -0.21170616      -0.12546068       0.14795956
Li      11.33659999       0.32155325       6.70142994      -2.69003057      -4.68970748      -2.36247216
Li       7.27938995       2.76877005       9.63581004      -1.66178834      -1.23175676      -1.13747828
Li       9.33764004       2.89825002       5.96743998      -2.26344941       1.95636449       3.23259664
60
Lattice="11.69144674 0.0 0.0 0.0 11.69144674 0.0 0.0 0.0 11.69144674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-465.27955803 stress="-0.01553726054719872 -0.0005970491128015342 0.0005051300583801404 -0.0005970491128015342 -0.01984888017784263 -0.00041478289058304556 0.0005051300583801404 -0.00041478289058304556 -0.020661129603470992" free_energy=-465.27955803 pbc="T T T" config_type=melt 
Cl       8.51421998       0.94996395       5.78676995      -0.78581111       0.56575538       0.86165626
Cl       4.27461998       2.35555002       2.35331999      -0.15731396      -0.25324010      -0.33380936
Cl       4.53869001       2.58979002       5.58370004      -0.49071290       3.52305694       1.26740152
Cl      10.13640003       7.89697998       9.52282998      -1.70675948       0.37588101       0.23356271
Cl       8.40779005       9.57626001       6.98239996       0.10548966       0.80005846       0.64606402
Cl      10.16770002       0.42225601       8.41985001       0.19488769       0.27278840       0.20836969
Cl      11.00570001       1.10445999      11.08900005      -0.26279143      -0.16390041       1.34765071
Cl       2.21055000       2.11718994       7.90112998       0.12526451      -0.04103528       0.82999185
Cl       9.95834000       5.85797998       0.91779505       2.07969511       2.04154325       0.79481889
Cl       7.59531996       5.03623005      10.00749996      -0.92662355      -1.83985438      -1.78285387
Cl       0.41452796      10.79829994       5.64793005       0.98053278      -0.52201079      -0.12548302
Cl       6.47900999       6.10883003       1.10836996       0.23037141       0.58015404       0.22245339
Cl       1.19439995       5.90078997       4.01720004      -0.03121040      -0.09572796       0.05675630
Cl       4.48587998       7.15743004       4.35013000       0.18003984      -0.08287980       0.54153130
Cl       1.15738004       3.81490995      11.46969998       0.63534080      -1.51688949      -0.96363157
Cl       0.50560106       5.50049003       7.47263004       0.72704251      -1.02246325       1.56179250
Cl       4.15329000      10.86629997       7.22147005       0.16245394      -0.17743261      -0.54178389
Cl       1.72558996       9.05999004       9.09270002       0.09932127      -1.48730211       1.51570359
Cl       6.92569001       1.67263005       9.06912001      -0.70207312       1.34024778       0.21499011
Cl       6.93395996       5.10660004       5.25504997       0.69857464      -0.12279089       0.75775560
Cl      10.06860004       7.29905999       4.86318997      -1.96520070       0.09447650      -0.21686655
Cl       7.62605000      10.11419996      11.03610000      -0.68835372      -0.79789964      -0.62610962
Cl       4.21924005       5.10101995       7.79508996       3.12317833       0.31782347       2.52698787
Cl      11.56389271       9.64244997       1.79358999      -0.13620003       0.69573833       2.41410923
Cl       4.73787005       9.76195000       2.24134001       0.72658063      -0.33074197       0.79460023
Cl       8.00908997       2.37057002       0.97421798       0.23002622       0.42471815      -0.17056372
Cl       3.24375004      11.41699997      10.77290004       0.22310998       0.12582555       0.44934790
Cl       1.51603995       7.37699003       0.04453915       0.86482280       0.90048982      -0.23043731
Cl       8.80326995      10.15200004       3.37601000      -0.94281776      -0.06560428       0.14773510
Cl      11.23949995       1.67196995       3.54540995      -1.21033635       1.16490740       0.77444120
K        5.75535994       0.17048000       0.77711503       0.17886755       1.49532625      -0.20119890
K        9.30045001      11.42330002       1.00215995       0.34761189       0.48574707       0.13177861
K        1.36511998       0.60609606       2.15180995       1.72557576      -0.18895188      -1.22911377
K        7.13188996       7.30309997       7.55836997      -0.43593428      -0.89930103       0.06011422
K       11.46740004       2.36439997       6.59194995      -0.32005707       0.10881879      -0.47080964
K        3.00465002       7.25431998       7.19243996      -0.52263773       1.68153991      -0.92400996
K        2.33660999       8.73501003       3.37640997      -0.61593820      -0.41303508       0.31961114
K        4.42123995       4.73744004      11.34709996      -0.38812363      -0.48947157       0.10528331
K        9.90379998       4.41468000       3.48453995      -0.11779221       0.11214807       0.14692693
Li      11.47459998       6.76369999       6.15391996       0.62381863       0.46650941      -0.66211689
Li       1.57344005      10.32680003       7.68205998       0.09912846       2.39554099      -2.14599991
Li       8.62996004       4.68224998       0.26953602      -2.29894841      -2.18854992      -0.14226828
Li       0.99435100       5.52435005       0.72250101      -0.90779633       0.42748987       1.45640285
Li       8.02053005      11.64370004       8.81509994       0.56595757      -1.65461429      -0.37570207
Li       3.01099006       4.09942996       6.73110003      -1.97372158      -2.25371269      -1.30890079
Li       6.81895003       8.21360997       1.71927003      -0.35551573       0.20671811       0.04106266
Li       4.84114002       0.84036997       5.07859997       0.43157017      -3.11195971      -0.75897397
Li      10.17810003       8.43029000       3.14451000       0.49380035       0.24683217      -0.87630859
Li       6.41027001       3.99088996       7.84209998      -0.07172022      -0.22535371      -0.49571682
Li       4.79711003       4.84401003       4.44145996       0.28768231      -0.14204832      -0.28951922
Li       0.35655604       7.37894998       9.37711995       1.24251355      -1.03626490       0.04698970
Li       0.20238900       9.27106005      11.65129995       0.50410058      -0.80703431      -2.99592426
Li       0.94365197       1.81512002      10.13330004       1.56705767       0.70293936      -0.73652536
Li       3.88343995       9.62479997       0.38732103      -0.82091789      -0.11777901      -1.43235938
Li       8.12592002       8.92663997       5.03064001       0.06339610      -0.37795572      -0.33913819
Li       9.26763002       2.21004002      10.00030001      -0.10435504      -0.30248794       0.25061359
Li       8.39223002       6.76982000      10.47009999       1.26817715       1.96807974       1.00804510
Li      10.21009999      11.10220005       6.51676004      -1.05057635      -0.26702628      -0.13955488
Li       9.25005999       0.98439398       3.94905995       0.08309492      -0.30327688      -1.11501771
Li       4.89072005       0.80095296       8.61633003      -0.87884562      -0.22255803      -0.10385056
60
Lattice="11.69144674 0.0 0.0 0.0 11.69144674 0.0 0.0 0.0 11.69144674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-463.79677813 stress="-0.020897409059234727 0.003118586662127881 0.003936316538466868 0.003118586662127881 -0.0157273045386333 -0.0032009436621533304 0.003936316538466868 -0.0032009436621533304 -0.01462653862612149" free_energy=-463.79677813 pbc="T T T" config_type=melt 
Cl       8.48823001       1.29333005       6.63882003       0.61607541      -1.31477921       0.71078277
Cl       4.78156005       7.23653998       2.69187997       1.00652104       0.00966707       1.42049563
Cl       3.99552994       7.94866004       8.79017998       1.23870422      -0.10306746      -0.47694517
Cl       0.09637645       5.85140004       2.29903999      -0.10530835       2.49147538       1.86219298
Cl       8.64566995       8.19546005       4.72779004      -0.08327604       0.03800351       1.00168019
Cl      11.40000002       8.78334995       7.57477003      -0.45044380      -0.14629368      -1.41116328
Cl       3.23031002       8.93296002       0.56700395      -1.26660587       1.70288115       0.04295470
Cl       0.33318402       0.47587403       7.09029003       1.34320073      -0.07275067      -1.61028177
Cl       8.98566003       1.69086005      10.39550003       0.11282191      -0.15661679      -0.55604650
Cl       8.03103002       7.33178002       0.37459699      -0.90575724      -0.25223441      -0.21172014
Cl       4.50530005      10.50410000       5.34330005       0.65722120       0.22206356      -1.18425225
Cl       7.58297006       9.78111999       9.46447996       1.29127090       2.81966962       1.72184027
Cl       9.85823000       3.39437995       1.71814999       0.05370726      -0.23483947       0.34624098
Cl       2.83605000       7.51459006       5.21315998      -2.05125750       1.68885918      -3.21030256
Cl       3.77098004       0.61021706       2.39314000      -2.01452659       0.33700299       1.13588078
Cl       9.98875003       5.03516004       5.66857001      -0.74318257       0.19674674       1.17314514
Cl       7.55177996       4.47917996       8.81432994       2.21013185       0.61013027      -0.54832468
Cl      10.90880002      10.72180000      10.08090003       3.65079571       2.09474169      -0.19380381
Cl       6.07049003       2.64272994       0.51450900       0.38878429       1.36605069      -1.47189788
Cl       4.71670000       3.98504996       6.18478000       0.43451726       0.02513310      -0.00716915
Cl       9.93040001       9.14775001       2.14487003       0.72066334       0.57813774      -0.95486919
Cl       4.64043997      11.55249998       9.21763996       1.54990235       1.37293073       1.41751898
Cl       4.08909004       4.12664999       9.66403998      -1.53341107       0.20401868       0.69891655
Cl      10.77889998       5.98444005      10.18760003       0.24824956      -0.04397748       0.32922393
Cl       3.14999002       4.33672003       1.60119998      -0.05731813       0.23883106       0.75670570
Cl       1.47699005       2.94271002      11.04860002      -1.91780621      -0.95551702      -0.53766804
Cl       6.15887000      10.79040003       1.78423999       1.39564854      -2.35575619       0.18184314
Cl       1.52076002       4.63726001       6.47660997      -0.17993976      -0.19785960      -0.32225635
Cl       7.25411000       2.12955996       3.59817005      -0.43975634      -1.58989179      -1.41014534
Cl      11.09009998       0.47242097       3.03416999      -0.48272246       1.39788098       0.57725985
K        8.72234994       0.38473395       1.48762003      -0.18920151       0.25341264      -0.64792049
K        1.50195001       8.23611004       9.72036001      -0.97123608      -0.09959590       0.95104256
K        2.56795999       1.72105999       5.51671998       0.33499554       0.68025560      -0.27853718
K        7.50697998       7.98608003       7.92337997      -0.07450483      -3.14692842      -2.72898834
K        7.60004004       3.58032996       5.63150999      -0.65945061       2.13086920       1.66363561
K        3.04575995      10.69320004       7.50417006      -2.01742701      -1.06544505      -0.14538906
K        1.16502005      10.35170001       3.10487004       1.47520412      -1.77659530      -0.45748175
K        4.52554005       6.71486003       0.11522996       0.43642293      -1.48175478      -1.43388289
K        6.67427001       4.94189995       2.24286996       0.14275577      -0.06428610       0.03492136
Li      11.11390003       4.66903000       4.08952006       0.78966397      -0.18447173      -1.50634083
Li       0.48917598       4.46212003       1.01833004       0.55987944      -1.86871052      -1.67508975
Li       9.45469001       9.75943996      10.63149994      -2.94437777      -2.21243987       1.34986500
Li       0.36685328       0.86209805       0.14871205      -0.12204733       0.43160029      -0.30932778
Li       5.81096002      10.07420001      10.36399999      -1.59139655       0.14292114       0.89700639
Li      10.58770004       0.62899796       8.45914999      -1.76108190       0.39672590       1.22130256
Li       2.67525999       5.63864996       3.95660000       0.30550507      -0.12980521      -0.46830097
Li       5.69861995       4.33869998       8.55674002      -1.93415204      -0.12607050      -1.65868362
Li      10.23589997       7.24414000       0.68267503       0.23054173      -0.40362557       0.27558362
Li       3.57636995       7.01033995       6.80091995       1.44210509      -1.57804884       3.17421642
Li       7.53698000       8.76270999       2.24198000       0.19581968      -0.22027005       0.18859830
Li       1.32518001       4.16635005       8.61706998       0.19863791       0.00770619       0.55501859
Li       8.83238002       4.01330994      10.38889997       0.83763100      -0.07909950       0.85550720
Li       3.55843995       2.79506996      11.43419680       1.11445800       0.27943190       0.53879891
Li       5.56932997       0.99970206       1.42504998      -0.44139907      -0.05305758       0.26450043
Li       5.71177996       0.33455905       4.14247997       0.01305510       0.02298396      -0.37778495
Li       7.18272004       1.22347997       8.70600998       0.19293813      -0.06763959       0.19510100
Li       4.14369004       9.34138995       3.23329999       0.40707724      -0.12004654      -0.30244010
Li      10.95429997      10.41750005       5.83642996      -0.44138678      -0.11684896       0.57911426
Li      10.51440005       7.19909999       5.95296001      -0.17201819       0.23644232      -0.02293474
Li       9.51768002       1.82154997       3.97248996      -0.04391466       0.24175048      -0.00094525
60
Lattice="11.69144674 0.0 0.0 0.0 11.69144674 0.0 0.0 0.0 11.69144674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-468.12225099 stress="-0.020294517363363088 0.002415556930338651 0.0030147415505215693 0.002415556930338651 -0.022772548273599178 0.006374074791392687 0.0030147415505215693 0.006374074791392687 -0.009469592480025284" free_energy=-468.12225099 pbc="T T T" config_type=melt 
Cl       6.59374997       6.44981002       3.82019998       0.02539872       1.19249658       0.03660403
Cl       2.68344997       1.08053999       7.84418995       0.17027525      -0.55890707       0.62849029
Cl       5.15183004       7.27106003       7.30234003       0.13826058      -0.46456222      -0.68151636
Cl      11.11129997       3.98450000       3.45477002      -0.30168750       0.71794322      -0.30661303
Cl      10.81400004       3.66712001       9.57316002       0.45243393      -0.11802951       0.21677739
Cl       5.81511002       2.45823997       7.69429999      -1.36251297      -0.41105833      -1.00546130
Cl       8.63150004       2.74140003       6.17642997       0.51690850       0.11260459      -0.98676132
Cl       1.58773003       6.65217002       2.76153995       1.26548068      -1.04539778      -0.36683811
Cl       1.44506001       1.24968004       0.95414704      -0.47585677       0.24519679       0.22667449
Cl       0.94350501       5.97926003       6.51742996       0.50173777       0.66722313       1.77170895
Cl       6.73093997      10.30600001       4.29508001       3.41756242      -0.74923890       1.56213998
Cl       4.16988005       2.56966004       0.59044706       0.31627379       0.77858361       0.26346904
Cl       3.91101002       4.75971003       9.18184005      -1.00518991      -0.01985574      -0.12331605
Cl       9.49162001       6.71907000       0.55743894      -0.46274647       0.01152248       0.61522343
Cl       2.75255004       9.11799002       5.78120997       0.20112333       0.53449382      -0.09817404
Cl       4.45194006       4.02071998       3.98956006      -1.50354270       0.55841122      -0.25153067
Cl      10.82399997       8.65319995       4.95893006      -0.87141899      -0.22900801       0.08836462
Cl       6.50640001       7.01801000      11.12259998       0.10698748      -2.37727807      -0.42471426
Cl       0.50913199       9.75558003       0.65528595      -1.05350401      -0.36582944       2.44803809
Cl       8.41739001      10.94610006      10.62730003      -0.33580130      -0.19225611       0.28220259
Cl       0.67260098       2.57860996       6.15537999       1.75502103       3.17981029      -2.32491791
Cl      10.40650004       0.52075306       3.33652997      -1.06737146      -0.22296494      -0.16674364
Cl       7.58789999       3.23990999      10.10349995       0.67727494       1.23844418       0.58903290
Cl       4.49648996       0.81837602       4.15289004      -1.18411351      -0.45771271       0.06023805
Cl       5.04797001      10.23950000       8.80369003       0.15486968       0.09340829       0.54139747
Cl       0.29806396       8.96459006       8.44779000       0.97421180       0.00415334      -0.34366787
Cl       8.81143000       6.50206997       8.01990000      -0.22490428       3.11594081      -1.03925748
Cl       7.72839996       3.70557002       2.11644005      -0.23172249       0.23646728       0.54625433
Cl      11.04120004      11.44320003       6.33460005      -2.75987172       1.94282202       0.25491223
Cl       4.49263003       9.78464999       0.91010103       0.48275247       0.42516902       0.36361782
K        7.40382003       9.08151996       7.43061004       0.18153945       0.06014184      -0.00601724
K        5.74059996       1.23646999      10.51309996      -0.15918387      -1.03799333      -0.34491304
K        2.07566005       3.04659004      10.06550006      -0.78989699      -0.70477336       0.72660739
K        2.33368000      10.28859998      10.64209999       1.18075191       0.66359007      -1.34965830
K        9.00353006       9.39203999       2.22352996       0.01819722      -0.08461711      -0.08795807
K        9.17366001       1.76191003       0.75528605       0.54705749      -0.43216539      -0.45139721
K        4.61972997       7.08779005       1.71978001      -0.40236893      -0.72781314       0.03943286
K       11.51199999       4.91292994       0.82207496       0.61492408      -0.41896065      -0.28093735
K       10.46709996       8.70469995      10.57009997      -1.26562798      -0.09615185       0.00563091
Li       5.69562998       2.49124001       4.44134001       1.43824065      -0.13772579       0.47723856
Li       5.06276998      10.55879996       3.46650998      -2.65895271       0.05447529      -1.69155481
Li       0.87515003       5.31229001       4.64507001      -0.11088156      -0.75787160      -1.52641930
Li       9.03538001       4.74767006       8.61964000       0.65934963      -3.18019705       1.18240513
Li       7.82722004       2.32016001       8.09896002       0.61341966      -0.29861569       0.31514922
Li       2.94175004       7.28255003       7.31075003      -0.64236668       0.18706823      -0.19405772
Li      10.93760003       7.34796005       7.32705995       0.06253925      -0.26189920      -0.53235876
Li      10.79789998       2.41353000       4.84240001      -1.01422290      -0.57709269      -0.05465935
Li       3.66849001       3.17870000       7.40985001       0.04032980      -0.11825223      -0.13307601
Li       0.22400602       8.02061002       3.28181003      -0.28908763       0.84917775      -0.15868700
Li       7.66223000       5.00195996       0.26720100       0.07424866       0.21179445      -0.15198727
Li       8.65168006      11.34938470       5.04778003       0.84301651       0.49227686      -0.09805552
Li       4.63576000       5.99284000       4.70988003       0.13879991       0.56369995       0.79088062
Li       8.21613006       5.12692001       4.08233999       0.63820909      -0.90271382      -0.25625170
Li       6.08356995       8.89541995      11.13130006      -0.52873475       2.73116487      -0.39560095
Li       0.64805397      11.65390001       2.53656003       0.14922395      -0.38273983      -0.46671503
Li       0.26060504       1.42157996       7.51600998      -0.65093006      -2.04576280       2.46451781
Li       4.31312996      11.19959997       6.91333005      -0.58597672       0.10281036      -0.12800760
Li       3.16749001       2.12198998       2.52926995       0.10680943       0.06115597      -0.14903144
Li       5.60490003       5.76485995       8.82153994       1.35993527       0.55279263       0.14750793
Li       0.68105004      10.12709995       6.56943000       2.11531053      -2.20739457      -0.06766041
60
Lattice="11.69144674 0.0 0.0 0.0 11.69144674 0.0 0.0 0.0 11.69144674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-464.90954341 stress="-0.00971103732136047 -0.001065219687919191 0.002043323980327051 -0.001065219687919191 -0.019665991096703937 -0.0006006236750100006 0.002043323980327051 -0.0006006236750100006 -0.02537633602448832" free_energy=-464.90954341 pbc="T T T" config_type=melt 
Cl       4.72751003      10.27609996       8.84254000      -0.43729672      -0.20461921       0.02491743
Cl       8.30697003       8.21099997       9.37733004      -0.68788252      -1.83750432      -0.82481511
Cl       3.58238005       3.44429998      10.77760000       0.44458315      -0.45886298       0.46509156
Cl       3.69218998       2.03378994       7.42569999      -0.21340382       0.01861538       1.09603014
Cl       3.72600001       7.80706002       3.31831002      -0.20794451      -1.39290285      -0.37666212
Cl       7.56360995       5.68454006       1.74762998      -0.03157653       0.45385572       0.09809450
Cl      10.91659997       3.75587002       2.77525004       1.31833533       2.49766480       2.59940985
Cl       2.56099995      10.72559996       5.24496995      -0.63363304       1.02221337       0.48492149
Cl       5.82168003      10.54260005       3.11251998      -0.57859750       0.67050565      -0.67136567
Cl      11.64010001       1.90102000       6.90038996       2.57508410       1.92041100      -4.49218476
Cl       9.00169006       4.14337004      10.21160000       0.73998792       0.36461063      -1.28878234
Cl       4.06228997       4.48452003       3.02763996      -1.30852229      -0.39383205      -0.64736447
Cl       9.87824996      10.81449996       4.10522003      -1.22185132       0.89591313       1.14961486
Cl       5.73049002       1.92398002       4.81493002       2.35692158       1.66721376      -2.19183397
Cl       9.05573003      11.03140003       8.19629002       1.07117167       0.83829736      -0.01479278
Cl       1.55861003       8.67818001       7.44051995      -0.02488655      -0.79804492       0.23545635
Cl       8.65043995       2.78635995       5.66757004       0.02704630       0.21346005      -0.60956531
Cl      10.02050003      10.77099995       0.48869102       0.14190926       0.70561520      -0.19459793
Cl       3.95560003       5.41153998       7.34547994       0.05703345       0.88441580      -0.72732995
Cl      11.18309995       7.67659002      11.25259999      -0.27810703       0.71482358       0.83747548
Cl       2.35508996       6.71503996      10.53590004       0.17136528      -1.05436452      -0.15581969
Cl       7.88805999       2.38358996       1.49091994       0.49239813      -1.48339672       0.91504690
Cl       0.57979299       1.13175999       2.30482001       0.16276271      -1.57577780      -2.10113487
Cl       2.44180998       9.91613001      11.23540000      -1.97612004       0.75905437       0.79082358
Cl       6.62665999      11.20079998      11.26050001      -0.23085261       0.12966054       0.19333605
Cl       0.06218236       1.31365002      10.05970005      -0.26269579       1.35511770      -0.92965039
Cl       6.62932996      10.08060003       6.32820003       0.25102303      -0.21791592      -0.81809644
Cl       0.03545326       4.99307996       7.41841996      -0.61748288       0.57954412       0.28862484
Cl       7.30472999       5.96274996       5.12887997       0.23906408       0.09162251       0.40634010
Cl      11.02260000       7.20465998       4.14606995      -0.07412323       0.14828145       0.18601011
K        9.24868999       7.18903997       6.55217997       0.55456281       0.65680632       0.64008097
K       11.61171715       9.86367003       2.44805999       1.60943346      -1.17340343      -0.39243189
K        4.82377004       1.86746999       1.91917004       0.24510348      -0.10962144      -0.16311113
K        6.73735998       4.53816003       8.13696996      -0.26156852      -0.10807916      -0.29956392
K        0.77508399       6.22882005       1.80139999       0.71622994       0.21331759      -0.15872211
K        1.48599995       2.05971000       4.48155005       1.23694166       0.87430466       1.89733595
K        7.62387995       8.42133997       3.27269000       0.22845932      -0.28013306       0.11661766
K        4.56691000       6.39256004       0.45836703       0.48425962      -0.34345255       0.48640599
K       11.33010001       3.18294996       0.51820105       0.64703708      -0.37654432      -4.55062145
Li      10.07010006       2.95013000       7.23201001      -1.21122243       1.45593227       0.80788112
Li      10.45239996       6.45625996       9.76630003      -0.52796831      -0.68023445      -0.58814333
Li       7.87852995       0.45872899       5.14109005      -0.27550612      -0.15927149       0.26653075
Li      11.46209996       0.65125322       8.10776005      -1.06866208      -4.34995235       3.33890834
Li       0.57402198       0.35935322      11.63512764       0.67508230      -1.84789082       1.76040052
Li      10.28300001       1.91335997       2.94515996      -1.39358976      -2.22806491       0.60631640
Li       1.71769999       8.53913995       9.65793996      -0.24862118       0.06277651       0.01392074
Li       2.96265002       4.16089996       8.75504998      -0.34855976      -0.46618090       0.30786997
Li       8.19252000       4.08586999       0.39331804      -0.54016160       0.84383659       0.35364609
Li       0.29300098       9.54631003       5.99665001      -0.16758485       0.43611735      -0.64783813
Li       5.75756998       5.05307005       4.05100995       0.13879740      -0.26936008      -0.03435807
Li       8.26304000       0.10013397       1.26117004      -0.83917178       0.12477211      -0.14814684
Li       4.94619994       0.79340695       9.30542005      -0.38755954       0.18241066      -0.24050584
Li       3.46958998       9.73555995       3.72911999       1.07767542       0.82569105      -0.77490087
Li       9.00646999       9.52243995      10.77420001       0.32588617       0.48247398       0.04036784
Li       4.50228997       0.98401202       5.80120000      -1.98366318      -2.34112563       1.61177373
Li       4.35510004      10.26289996      11.56530000       2.12348353       0.27724875      -0.13202275
Li       7.02428001      10.14460006       8.59930998       0.14507372      -0.12043132       0.01209716
Li       9.56150003       4.66628005       3.83388996      -2.20875312       1.35381410       1.52298227
Li       1.77336998       6.04473997       6.50063999       0.37737920       0.36759374       0.29488299
Li       4.66642000       9.09358997       6.53257003      -0.38652250       0.18297539       0.32515040
60
Lattice="11.69144674 0.0 0.0 0.0 11.69144674 0.0 0.0 0.0 11.69144674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-464.28118776 stress="-0.01918569712036582 0.0020513448875311415 0.0033279279330250483 0.0020513448875311415 -0.011765695158245066 -0.004110004567855944 0.0033279279330250483 -0.004110004567855944 -0.024818905040659547" free_energy=-464.28118776 pbc="T T T" config_type=melt 
Cl       7.94517996       5.91148998       7.73873006       0.08313077      -0.10318929       0.37027351
Cl       1.19989002       7.58412996      10.37590002       0.32663875       0.35490143       0.70261491
Cl       5.10698995       7.35506003       8.54313000      -0.78356996       1.90922596       0.27600136
Cl       5.11592000       6.52799996       1.20530001      -0.48420123       0.69688594       1.20094149
Cl       8.79175996       1.80147002       7.39126003       1.39141438      -0.13306635      -1.23394965
Cl       4.78478000       2.67972998       2.01943004       0.43105332       0.33388188      -0.14121175
Cl       8.93025999       7.95797005       9.89074005       1.29942569       0.55717353       0.16182409
Cl       8.49491997       3.23906996       1.33853000      -0.18305283       0.72255443       0.56872855
Cl       6.67849004       2.73017998      10.31730003      -0.45913084       1.27089158       1.89522108
Cl       2.01986999       4.24211004       3.54455004      -0.83461470       1.91358347      -0.80203813
Cl      10.46390002      10.82810004       0.39961599       0.37298704      -1.68471693      -1.00167108
Cl       3.15399995       8.06753002       5.95878001       0.30288403       0.27683046      -0.52329337
Cl       5.40605003       1.64699000       5.64029997       0.09657612       1.23794810       0.00114263
Cl       4.17632998       0.96539397       8.58569002      -0.35197115      -0.37787647      -0.62531456
Cl      10.70129999       2.53624004       3.86704995      -0.71738640       1.43475575       1.32148382
Cl       5.66429994      10.31529997       3.45794997       0.60836145      -0.85483418       0.04696526
Cl       2.45196996       3.61229005       8.07346003       0.99472030       0.08434035      -2.28411918
Cl       2.12726996       0.58719601      11.64189558      -1.27274229      -5.13827197      -2.62280241
Cl       2.55057995       4.07809997      11.31440004       1.69299223       0.36449838       2.42606382
Cl       8.28115005       8.63152997       1.60078003      -2.01394802       0.74354322      -0.20603486
Cl      11.06589997       9.96046001       4.20469998      -0.76618856      -0.11897596       0.24277181
Cl       0.53368695       5.89734999       5.96957998      -1.60279870      -0.21133129       0.46965668
Cl       7.54415001      10.44899997       7.52027000       0.88975638      -1.43774712       0.72739120
Cl       2.43906003       1.02473005       3.46425996       0.12257701      -0.37718512       0.54696554
Cl       2.30643998       8.54527000       2.87431997       0.75579057      -0.81990417      -1.50694103
Cl       5.25985995      10.47909995      11.00639998       0.01044433      -0.16836290       0.46124997
Cl      11.39609998       2.64786997       9.37908996       0.01236511       0.07257287       0.91846226
Cl       7.23206999       6.49624996       4.51024998      -0.86177715      -0.56312275       0.85256150
Cl       0.79986495      10.10839995       8.36705003      -0.70489999       1.22389574       0.02089846
Cl      11.17030003       5.95114000       1.60553003      -1.26238466       0.63992494       0.14720168
K        8.17421996       0.31708303       1.49528997      -0.92918138       0.02509571       0.29380592
K        8.97548005       4.33843002       5.78952995       0.71309696      -0.80273179      -0.04603172
K       10.65409998       7.80646995       7.64390003       0.16378639      -0.04248336      -0.35146379
K        9.84593995      11.07169998       9.49261998      -0.63208251       0.38074113      -1.13988788
K        6.57964996       7.78028999      11.02750000      -0.87828291       0.70449189       0.25927977
K        0.08152726       1.91260003       6.69087000       0.05681123      -0.12747103      -1.14295328
K        9.15663996       4.90792004      10.55479996       0.21429151      -0.34383553       0.06760000
K        5.21126994       4.83014000       8.54559000      -0.18434931      -1.94754334      -0.26832188
K       11.44669998       0.61979902       2.24579995       1.43225715       0.23460313       0.78704016
Li       6.20197005      11.55730002       6.53623997      -0.93459491       0.42674740      -0.37652891
Li       7.69343996       4.76850001       3.40954002      -0.04316716      -1.09253690      -1.83080077
Li       1.39496006       5.39901996       1.06673006       0.96648965      -0.01661558       0.00523717
Li       3.56487995       3.23416995       4.34793002       1.04424657      -1.72488997       0.02974552
Li       7.32260002       2.14033994       8.60431006      -0.69950382      -0.49331754      -1.03006616
Li       1.95537997       1.60959000       8.93519004       0.40363966      -0.24161924       0.69950277
Li       5.32933006       0.66290304       3.77325999      -1.02443728       0.70802497      -0.81200314
Li       1.01826994      10.11479996      10.70099998      -0.29220880       0.15966793      -0.08213068
Li       7.06361004       8.19849000       8.14837006       0.43385369       0.14865787      -0.29765874
Li       7.99875005       8.01255005       3.46551995       0.52586994       1.11675453       0.61755071
Li       2.42971997       2.16796999       0.67354004       1.35560814       3.88335454       2.97405980
Li       0.08175805       5.49775002       3.75420995      -0.13462768      -0.63492263      -0.04795269
Li       4.82398001       4.61259994       0.57125905      -0.24385233      -1.61999138       0.17566094
Li       2.47811999       9.06848002       7.71346998       0.97138750      -0.44537557       0.45468648
Li       2.94569999       9.04458001       0.57329500       0.55993288      -0.14097697       0.28502133
Li       5.35123001       1.02336999      10.32169999      -0.43668573      -0.88197747       0.71755489
Li       1.57962003       4.25409003       9.69974004      -2.56331425       0.78264245      -1.16121278
Li       4.97035003       8.18514001       3.55846006      -0.56919804      -0.02255513      -0.12091951
Li       1.42763005       9.53827006       4.48529003       0.29620063       0.46372143       0.54506175
Li      10.04200001       8.21826001       0.95443698       2.47839486      -0.34911416      -1.00300191
Li       2.21734998       6.38122004       4.89461003       0.85716834       0.04463107      -0.61191699
60
Lattice="11.69144674 0.0 0.0 0.0 11.69144674 0.0 0.0 0.0 11.69144674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-463.46189058 stress="-0.02104852963911131 0.0015133816325376755 0.005466487967866371 0.0015133816325376755 -0.013980981340755812 -0.0030232789301228085 0.005466487967866371 -0.0030232789301228085 -0.014767008201746444" free_energy=-463.46189058 pbc="T T T" config_type=melt 
Cl       7.97053006      10.08620000       2.43949004       0.45252242       0.51753693      -0.41985535
Cl       1.00470003       9.81063002       3.51457995      -4.32931570      -0.52086934       0.94537576
Cl       2.65560001       6.79304997       0.51896695      -0.07483616      -0.11474325      -1.30483227
Cl       0.09451845       8.89175000       0.48643901      -0.20665160       1.80128717       0.79804794
Cl      10.09119996       7.38760002       6.08438999       0.11099155       0.33841517      -0.17940170
Cl       1.76219004      10.25429997       9.20077002      -0.63300261      -1.15092157      -1.12890563
Cl       4.82242996       3.97811004       2.53696000       0.73692022       0.71910853       0.07033448
Cl       5.83713998       0.46578396       3.69494004      -0.92982956      -0.62336627      -1.38013851
Cl       8.77333997      10.55490004       6.07992000      -1.96626118       0.63032793      -1.39080383
Cl       4.73519996       8.04389003       9.44859000      -0.67489613      -0.09316588      -0.56743486
Cl      10.24239995       6.11249003       0.44850401      -0.25123112      -0.72169780      -0.16464581
Cl       6.66407004       4.35809995       5.71335994      -4.12110095      -1.54017491       1.60422822
Cl       2.55398006       6.09225997       3.52561995      -0.13905822       0.81398039       1.14715766
Cl       1.07798003       1.83765996      10.33810005      -0.06425290       0.19971226       0.26243536
Cl       6.87556995       6.45544997      10.08999995       2.88416700      -0.15736212       1.61949252
Cl       5.50344002      11.38999997       8.06405006      -0.17422508      -0.91244056      -0.49087536
Cl      11.32959997       0.29731700       6.38627004       1.28983642       0.11669413      -0.34187709
Cl       8.02962997       2.08757995       7.85693000       1.20611703       0.44890105      -0.51702102
Cl       7.17074999       7.39340997       3.95072996      -2.28667089      -0.53788623       1.12255399
Cl       2.89960003       1.60878002       4.84303006       0.79589152      -1.03765022      -0.41803804
Cl       0.47380301       6.48122996       8.53834995       0.55160720      -0.04705409       0.37730309
Cl      11.59609995       2.73353005       3.30415004      -0.13316051      -0.18632889      -1.03984503
Cl      10.33129995       4.06099000       5.99013004      -0.20713648      -0.40415095       0.14952937
Cl       9.69914997      10.96060002       9.13400999       0.35226437       0.98079927       2.51586880
Cl       4.20700004       9.30689995       6.04543000       0.05907612      -0.00999531      -0.54587151
Cl       3.42047000       9.98509003       2.38052996       2.45985619      -0.64356908      -1.74353256
Cl       4.91545003       2.91706004       8.94903003      -0.59648925       1.61526111       0.77217311
Cl       4.23041006      11.37929996      11.32619998       0.63381910      -0.41897583      -0.34414888
Cl       2.65047997       4.54503004       6.40368001       0.24830405      -0.06584852       0.17616262
Cl       8.63383996       1.18677000      11.55429999       0.62971022      -0.48077875      -0.26115143
K        2.36124995       0.55875295       7.49655998       0.24305576       0.42881928       0.08296082
K        7.33790997       3.22180999       0.79427094      -0.67692889       1.55712960       0.63164125
K        9.41809005       5.58265997       9.20475003       0.63043626      -0.14275644      -0.37547918
K        0.86843599       4.22873000       0.54408205      -0.13389618       0.25528706       0.23355745
K        7.45277995       8.40903998       7.20745002      -0.53065576      -0.83969706       0.32092369
K       11.03339997       0.38476002       1.61171001      -0.02797728      -0.27001690      -0.29624720
K        3.79584997       1.75590004       1.47345000      -0.68975800      -0.79152099       0.10078164
K        9.51186995       7.64153006       2.98201000       1.80023723      -0.18298900      -0.83370529
K        7.44888003      10.52670004      10.30040004      -1.53188133      -0.70576006       0.91784283
Li       6.25259998       1.48443996       8.65690005       0.46347936      -0.52739101       0.34627577
Li       1.85387004       8.21101996       2.11406996      -0.09708649      -0.14279964      -0.02059150
Li       4.25047994       6.22330998       1.82886998       0.14397265      -0.44609761       0.60485847
Li       4.28668005       3.37002994       5.11143002       0.40972901       0.54066924      -0.40382181
Li       1.62847005      10.49150001      11.17509996       0.10204791       0.20356697       1.38223192
Li      10.00090002      10.36439996       4.23374001       0.25624716      -0.15726518       0.15754813
Li       8.25494005       4.81818000       4.96053003       3.75801709       1.43596703      -1.21429645
Li       6.20192995      10.10630005       4.94254005      -0.01308383      -0.18343471      -0.48909961
Li       1.26964996       2.88060997       4.96793995      -0.99133285       0.76602359       0.31170198
Li      10.30679994      10.24749999       7.53198997       1.85961630      -1.29788226      -2.50859639
Li       4.09621002       7.20399006       5.39779002      -0.06060794      -0.30855989      -0.59303401
Li       9.79118995       1.73758001       6.25669000      -0.14194019       0.83131696       0.12960460
Li       0.68853397       7.71921002      10.61769995       0.48369997      -1.03808969      -1.18857494
Li       9.52932996       1.56238999       9.48193003       0.38475879      -0.44854850       0.04423797
Li       1.07516999       6.21953996       5.98636995      -0.84649143       0.13431642       0.30456772
Li       5.57893999       5.43861001       9.12379997      -1.51931096      -0.86045276      -1.03432998
Li       3.17458999       3.88846002       8.45152997      -1.32738445       0.35510138       0.04163787
Li       5.45152005       9.97210001       1.39626003       0.04066458       0.32503304       0.12966741
Li       2.63815005      10.75540005       4.06204001       1.10975109       1.25964567       1.81340259
Li       3.92428005       9.93167005       9.28066002       0.14054771       0.65614503      -0.03537237
Li       6.77258000       1.22321995       5.18557004       1.13910966       1.07919605       2.11742259
60
Lattice="11.50542303 0.0 0.0 0.0 11.50542303 0.0 0.0 0.0 11.50542303" Properties=species:S:1:pos:R:3:forces:R:3 energy=-440.41230101 stress="-0.027410680326911435 0.010814230912537356 0.0008186215882647837 0.010814230912537356 -0.02760784581784356 -0.010193788823260302 0.0008186215882647837 -0.010193788823260302 -0.024248857776117662" free_energy=-440.41230101 pbc="T T T" config_type=melt 
Cl      10.99069997       5.13010003      11.41380005      -0.50485783       0.28939711       0.05074073
Cl       8.28911999       3.25305999       4.99174997      -0.48157001      -0.49202907      -0.42870640
Cl       2.15567999      10.26490004       7.52060997      -1.93607445       5.52291244       3.80415217
Cl       5.75761996      10.31359996      10.63229995      -0.37357915       0.23051915       0.80152297
Cl       1.28054001       2.45661998      10.54750003      -1.65798204       1.34858720      -0.38165764
Cl       5.60797997      11.27319999       6.19365996      -0.03740400       0.28278054       0.25018184
Cl       9.23089996       1.19278999       9.28972995       0.25522978       0.16933902       0.16403881
Cl       1.90159998      10.69170003      10.90449996      -0.66222727       0.20208746       0.67540933
Cl       6.19858002       5.05931004       0.11897505       0.74685195       0.33419919      -0.75313980
Cl       8.99108000       4.50845996       8.29672001      -0.15587591      -0.23021744       0.52628346
Cl      11.38669995       9.22109998       5.21460000       0.13739575      -0.17177012       0.18393627
Cl       3.58853005       1.61077004       8.62542005       3.28003864       2.72566350       1.84183188
Cl       7.98157002       2.01107005       0.89761502      -0.43543971      -0.41874630       1.01281199
Cl      10.44250005       5.60793003       4.48447000       0.66224894       0.27471904       1.13642229
Cl       0.10455001       1.33009996       2.28098003      -0.13233958      -0.99814346      -1.80820540
Cl       3.42992998       7.63980005       5.87213999       2.27849675      -4.56732756      -2.87516667
Cl       1.73573999       4.77685996       2.91586998       0.39755457      -0.14703230       0.62837338
Cl       1.27563996       1.92393005       5.34940997      -0.89063430      -1.11789444       1.72520438
Cl       9.10811006       8.55196000       2.42615994      -0.00297139      -0.76705724      -0.62134807
Cl       7.26778002       7.97532005       6.18885000      -0.18056461      -0.33294751      -0.53259469
Cl       3.64841003       1.69859001       1.95116995      -0.56164062      -0.66105220      -0.11013250
Cl       7.12667003       7.11935005       9.23250002       0.02791371      -0.17548364       0.21550062
Cl       2.41713003       8.63962005       2.73014001       1.06380607       2.58872476       0.99688646
Cl       5.24444001       6.84384004       3.27770000       3.89423008      -3.92268135      -0.87937844
Cl       8.80536004       0.02569610       3.91244004      -2.42442813       1.99660467       2.90600068
Cl       9.44068996       9.48368998      10.33019998       1.31369589       0.63877801       0.74927442
Cl       2.91160998       7.68968998       9.87508997       2.48767811      -2.91634315       0.27796400
Cl       6.08590005      10.01570005       2.90458006      -2.51530314       2.50908332      -9.08883806
Cl       4.41314006       4.80527997       7.13293002       1.34578245      -0.41693496      -0.46662936
Cl       1.24447005       4.79699997       7.59521999      -0.69386985       0.20732913      -0.08119350
K        2.93358005       0.12768005       4.47677000       0.90811849      -1.60368284      -0.60398439
K       10.03110006       0.76541104       6.43718996      -0.12551713      -0.02580283       0.08824225
K        4.69842001       4.15748001       2.13817000      -0.28125647       0.85017154       0.88665517
K        8.54371003       5.05182001       2.61304000      -0.45944144       0.26540202      -0.44532017
K        0.57305003       7.88142003       1.53754999      -3.40963239      -1.59322568      -2.16132307
K        7.52317004       9.97588001       8.44710003      -0.13250462       0.10090403      -0.85318782
Li       7.69085997       1.70171995       3.21474003       0.22280667       0.49930634       0.25762793
Li       0.06314096       2.53778004       3.85275002      -0.99608956       1.73128266       0.12242172
Li       0.99905903       3.57133002       1.31921997      -0.45930527      -0.30849931      -0.80806764
Li       5.55815999       7.46217001      10.75030003      -0.52221364       0.02775829      -0.17243495
Li       2.56405002       1.22884004      11.39390004       1.11360235      -1.19835395       0.57800857
Li       9.85389998      10.57320004       2.81881000       2.73184592      -2.28850052      -2.25457996
Li       3.15817005       5.64547004       8.62522998      -0.64869950       0.47680350       0.49625112
Li       6.61453995       5.25133003       7.69798999       0.82376159      -0.13025731       0.45009163
Li       4.04975002       8.13217003       3.51192004      -1.03040824       2.53937046       1.70775988
Li       5.29726002       6.78679006       6.25978001       0.58280156       0.20345480      -0.52117110
Li       8.09646997       3.55367000      10.94629997       0.02039537       0.49701675      -0.78848627
Li       2.12011005       3.66421997       5.68166001       0.87423067       2.28162326       0.46204842
Li       9.88751997       5.83111004       6.88723999      -0.12185187      -0.00935973      -0.88586873
Li       2.08506994       0.92964106       7.97932002      -4.02559071      -1.88433856      -1.42871992
Li       9.29015001       7.46034997      10.33890004      -0.36833152      -1.31887936      -0.01431349
Li      11.36180003       3.87958999       9.36432996      -0.27502810       0.17286992       0.08414724
Li       6.27093003       9.81890002       4.50959002       1.74831369      -1.30701103      10.11665704
Li       1.54569997       8.95717996       9.67156997      -1.88476463       2.21262033      -0.72646967
Li       5.21678995       0.51144597       1.17920001       0.97694158      -1.15680354      -0.58340952
Li       0.41214105       6.97642002       5.36002004       0.40333475       0.55762630      -0.49639498
Li       2.58563006       8.92576003       6.58599995      -1.85466397      -0.23546121      -0.97911915
Li      10.88920005       0.53827397      11.30960004       0.02037638       0.07989259      -0.45206236
Li       5.43612001       0.89492298       8.45494006       1.22088103      -0.95208496      -0.43584112
Li       7.03070997       8.79251999       1.57150997       0.70372830      -0.46890577      -0.55870183
60
Lattice="11.50542303 0.0 0.0 0.0 11.50542303 0.0 0.0 0.0 11.50542303" Properties=species:S:1:pos:R:3:forces:R:3 energy=-443.63728009 stress="-0.006900166471334395 -0.001242968929983278 0.0035527086565261662 -0.001242968929983278 -0.021126238593532222 0.0025058937996456877 0.0035527086565261662 0.0025058937996456877 -0.029541837314020054" free_energy=-443.63728009 pbc="T T T" config_type=melt 
Cl      10.34969995       8.96675995       4.71312003       0.87373194       2.42723834       1.97955020
Cl      10.41319999       7.61814006       9.84312998       0.84292876       0.39675642      -4.48972188
Cl       3.98590999       1.81564998       9.50884003      -0.25703081       0.16403678       0.41016523
Cl       1.57494998      10.62460006       1.97693001       0.34950948       0.19001522       0.14951852
Cl      11.23149996       2.66828996       3.89702001       0.83389204      -0.67902524       0.48244434
Cl       6.12292002       3.96609995      11.23989996      -0.91176848      -0.45709093       1.69545436
Cl       9.64622997       3.42182004       7.37831998      -0.03876842       0.03536814      -1.37058880
Cl      10.82649998       5.75968000       4.56515995      -0.50709601       0.14341211       0.13021841
Cl       9.36686000      10.17009995       0.70064897       0.64003150       0.80322008       1.04012257
Cl       3.77418996       2.01805994       2.04033997       0.98945114      -1.10460806      -0.85807096
Cl       3.69353004       6.62954003      10.83029999       0.60786207       0.79705323       0.73834695
Cl       1.76112003       8.29089999       7.97613003       0.17415087      -0.85611958      -0.49502969
Cl       3.18828998       4.28626999       3.54297997      -0.60408767       1.44984857       1.65728491
Cl       7.17544003       4.83140004       3.84776000       0.05798852      -0.67548545      -0.06441122
Cl      10.48830003      10.84659996       7.68827999       0.21131553      -0.93332435       1.17831734
Cl       7.67576002       0.77970400       3.72306998      -0.66532025      -0.80547627      -0.58402511
Cl       4.57590003       8.59085005       6.06353995       0.53308757       2.21867712      -4.94407715
Cl       5.06219998       7.92730999       3.11257003       0.23156092      -0.09128299      -0.82481300
Cl       7.23371005       6.44026996       7.01573003      -0.53073499       0.41099676      -0.74684458
Cl       9.79348995       2.56806001       1.13430999      -0.96671455       4.90800787       0.61297025
Cl       1.96110005       0.53770997       5.19997995      -0.04044726      -0.10838562      -0.17523614
Cl       5.33962000      10.80500003       0.42957798      -0.30676337      -0.57519477       0.38283712
Cl       7.62129001       1.33231004      10.30379999       2.99751068       3.06717456      -0.70692342
Cl       1.53191003       4.59897001       7.76566006      -0.77891512       0.38220886       0.40822788
Cl       1.75214005      10.95450000      10.33390001      -0.41181214       0.36696110       1.21287707
Cl       7.98362006       7.45669999       1.55741997      -0.22161580      -0.47878756       0.45815441
Cl       0.00187308       7.50676998       0.99152401       0.58525547      -1.41298473       2.28353167
Cl       9.94314996       4.38517003      10.15240001      -0.84882782      -0.57203379       2.53187710
Cl       6.25379996       3.03182002       7.32611999      -1.10216353       0.61012831      -1.14130470
Cl       6.87479999       9.27922998       9.38894995      -0.03379165      -0.30560810      -0.00824113
K        4.18285004       0.57833700       7.00190005       0.55599410       0.03859608      -0.23076212
K        1.54350002       4.87084995      11.41830005      -0.84916280      -0.20388009       0.14509580
K        9.62548995       0.41034701       5.42619003       0.82122898       0.58374390       0.21324989
K        7.30128002       5.63006002       9.69545005       0.82419171       1.33218322      -0.65636476
K        2.28004004       7.38855003       4.05423000      -0.17031365      -0.07636605      -0.01245946
K        3.95787001       4.83161001       8.79536999       1.32678031      -0.93272793      -0.03913354
Li       6.63536005      11.38640000      10.34870001      -2.85361895      -4.29273743      -0.16090262
Li       2.31536997      10.21499998       8.57778001      -0.19386048       0.06064100      -0.72048022
Li       1.86507003       1.82676997       3.08245999      -0.58812172      -0.12712354       0.66219354
Li       7.91427998       2.22978999       8.33632996       0.81197506      -0.05720135      -0.06661484
Li       5.86141003       7.90731000       0.65578104      -0.37110486       0.39121916       0.27845357
Li       9.77978998       7.73194998       3.41146999      -0.20954376      -2.41996912      -2.72333226
Li       8.36993005       3.09839006      11.10849997      -0.10427237       0.63224746       0.44751312
Li       9.51855003       7.63308997      11.47780001      -1.03157786      -0.17256110       3.28683915
Li       4.42665997       8.03788999       7.70298001      -0.55262023      -1.59254249       5.55631306
Li       4.33091000      11.24970005       2.22930998      -0.45189070      -0.29483288       0.66263688
Li      10.18149998       0.84997797       1.18137994       0.94743099      -5.37030943      -0.00029737
Li       7.14795000       8.35984003       4.27528001      -0.78763025      -0.14703755      -0.15777172
Li      10.86540005       5.25513004       8.73303004       1.09231670       0.84455420      -2.12991741
Li       4.42690998       4.75611005       1.90074996       0.92466718       0.13507047      -0.85081012
Li       0.55468404       9.06458999      11.28150000       0.46317151       1.22223277      -0.63155980
Li      10.98010003       8.48688003       7.33865998      -0.04694040       0.69792593       0.23781680
Li       5.61279004       4.90621003       5.52502000       0.29757432       0.00679486       0.22152755
Li       8.45169001       5.02964998       5.87216001       0.60053245      -0.43374321       0.26941834
Li       8.99610005       9.67395999      10.29260003      -0.18619722       0.17456840      -2.03210765
Li       0.78887106      10.50810006       3.94861999      -0.23624109       0.03516749       0.50969291
Li       0.88916797       3.81516997       5.94534002      -0.88718314      -0.48332599      -1.12200434
Li       6.42206999       2.30292996       3.37248996      -0.65534635       1.17117610      -0.43373619
Li       9.55767997       4.01463995       3.48470005       0.03042479       0.11973603      -0.49180331
Li       3.61010997       0.83869103       0.07247013      -0.22308089      -0.15719490      -0.97330345
60
Lattice="11.50542303 0.0 0.0 0.0 11.50542303 0.0 0.0 0.0 11.50542303" Properties=species:S:1:pos:R:3:forces:R:3 energy=-445.85721376 stress="-0.01989052461275311 0.004042022818162446 0.006279434507649009 0.004042022818162446 -0.016098806826379077 -0.0008384752732999061 0.006279434507649009 -0.0008384752732999061 -0.01306236669434741" free_energy=-445.85721376 pbc="T T T" config_type=melt 
Cl       0.34837903       3.27602999       0.98810195       0.43216089       1.70936625       0.79083726
Cl       4.14001996       8.16425002       2.25530004       0.74043246       0.85794722      -0.75010127
Cl       3.95150003       9.82205998      10.26649998      -0.01218846      -0.34842688      -0.00891703
Cl       0.44874601       9.03888998       8.16873000       0.07040714       0.17645926       0.32446507
Cl       0.98620103       8.25307005       3.72602998       0.00962322      -0.41667646       0.55264298
Cl       8.33903995       1.59679003       4.42655998      -0.20607464      -0.99496961       0.45998520
Cl       9.08623997       4.50896999       9.38540997      -3.47813179       0.16217123       0.22342296
Cl       0.39520898       0.16965598       4.72942000      -0.10505633      -0.84954261      -0.23392518
Cl       3.43532004       6.06817997      10.78799996      -0.61629442       1.10339415      -0.44380320
Cl       0.37716595       5.70691004       7.19643995       0.46476631      -0.53651463       0.22363992
Cl       9.28437003       6.00691003       2.90667002      -2.91684559      -3.80072368       0.49107485
Cl       9.29536001       8.24609995       5.77957000       1.09816723      -1.79853554       0.29706491
Cl      11.31850006       7.10221997      11.01849995      -0.00894839      -0.22562754       0.57877988
Cl       6.38558997       0.22257298       1.14775005      -1.23499447      -0.32497920      -0.78229565
Cl       6.39485000       4.54569001       0.41918801       1.38067737      -0.00179990       0.20337991
Cl       2.80301996       1.60588000       1.43365003       0.93254347      -1.27805627      -0.85260335
Cl       5.96540997      10.00240001       5.52022995       0.76128539      -0.67200828      -0.09432912
Cl       5.51212000       0.69932596       8.16578001       0.14141868       0.38604251       0.12144941
Cl       5.10172996       2.10732005       4.69002002      -0.41204901      -0.04258956      -0.60673245
Cl       2.04849996       4.34598003       4.63333004      -0.07379667       0.05531207       0.12662305
Cl       3.71484004       4.34233005       8.31727997       1.30938789      -1.76785594       0.82540427
Cl       0.26618602       2.65799997       9.73178004       0.27990929       0.23005390       0.01205949
Cl       9.70568999       0.32687597       0.98183403       2.75748790       2.39400530      -0.52538349
Cl       8.44690996       8.94689998       2.67114998      -0.07675430       0.96117607      -0.14777148
Cl       0.60047700      10.12939998       1.13680000       2.50651038       0.26710936      -3.50996900
Cl       7.56226006       8.89973005       9.64724003      -0.84050229      -0.41460002       0.09260451
Cl       9.33161003       0.72897095       8.23910005      -0.13358443      -0.35518629      -2.22477502
Cl       3.94063995       7.14342998       6.87949006      -0.20958129       0.78310425       0.22623853
Cl       6.74709002       5.43477997       5.87975002      -0.72696007       0.51910758      -1.00810460
Cl       3.74500001       4.93418005       2.08899997       2.25024058       2.65595386       0.25687471
K        8.37556000       3.45843996       6.75812004       0.77802627      -0.74583904       0.21330787
K        3.45998997      10.55809998       3.76936999      -0.16178934       0.85198482       0.01965032
K        0.54037704       1.29760002       7.51156003       0.57207722      -0.52057077      -1.30765837
K        9.81019996      10.51689998      10.24519999       0.78380428      -1.91453940      -0.81421220
K        8.42459002       1.86186002      10.37810005      -1.12515522       1.19301534       1.17389092
K        9.79553998       3.11252999       2.64509998      -0.37796853       0.09829691       0.33425566
Li       5.87694005       4.83432000       3.29516995      -0.19364205      -0.46733160      -0.20526452
Li       4.17391999       0.46898405      10.83429997       0.19154881       0.33386041       0.37884096
Li      10.87669998       4.86918005       9.09185002       3.26851351       0.11246967      -0.29739101
Li       2.30517996       7.56575000       8.58245006      -0.11136393      -0.12628466      -0.04070983
Li       1.36610998       8.32566996       1.50897006       0.96048271      -1.27992348      -0.52474381
Li       5.51842003       9.37053000       0.46281300       0.00473627       0.21189575       0.08583925
Li      10.97740005      10.60730004       2.49544997      -2.04731528       1.19755103       3.36143087
Li       0.58059805       1.19333995       0.22956494       0.40328149       0.24941466       0.15098735
Li      10.65380002       7.17937005       2.97118000       3.06024608       2.66580801       0.63198249
Li       1.20498999       5.27712001      11.15549997       0.12362328      -0.38134202       0.26023516
Li       5.14624997       6.51401995       9.17845997      -0.28128717      -0.44428230      -0.25227389
Li       6.35964996       0.69537201       5.83370003       0.11074212       0.09400414       0.03120307
Li       7.15357006       7.94976006       4.70979002      -0.14942445      -0.25622312       0.10635453
Li       8.25483003      11.33730004       1.98204003      -2.82375554      -1.11953214       2.62835016
Li       5.69458002       9.94571003       8.64752002       0.12511959       0.18270011      -0.07871079
Li       4.36221004       4.13541997       0.07927213      -0.38556266      -0.07526887      -0.14209446
Li       5.15067001       3.34175000       6.36497997      -0.37226458       0.66863989       0.93520672
Li       8.72805004       7.20540003       1.30990001      -0.41994848       0.11798415      -1.35128098
Li      10.25210002       6.94876996       7.44981997      -0.64128971       0.83571884       0.33447568
Li       2.53685005       3.56465998       2.38845000      -2.64265881      -2.44980466       1.18996579
Li       3.02288998       6.96293003       3.53278996      -0.48870817      -1.23174680       0.70215576
Li       8.43197995       9.98463000       5.68586006      -0.96136954       2.49167791       0.06882308
Li       0.34173005       9.17769002       6.03527999      -0.14297942       0.32922009      -0.83696436
Li       2.96733006       4.97902002       6.60338004      -1.13897477       0.94533654      -1.37348747
60
Lattice="11.50542303 0.0 0.0 0.0 11.50542303 0.0 0.0 0.0 11.50542303" Properties=species:S:1:pos:R:3:forces:R:3 energy=-443.40659448 stress="-0.03128694488437264 0.0014521192668747749 -0.0035448768358410446 0.0014521192668747749 -0.02378374055974741 -0.002304462149844897 -0.0035448768358410446 -0.002304462149844897 -0.02510593098650713" free_energy=-443.40659448 pbc="T T T" config_type=melt 
Cl       8.16880997       4.42979002       2.64956995      -0.97920254      -1.00119122       0.25949696
Cl       5.09297997       6.60471996       0.31458300      -2.20078890      -1.28362541      -1.35226837
Cl       4.89367003       2.09313996      11.03660005       1.57218049       0.08980159       0.01571252
Cl       9.17003006       0.21412697       1.57503995       2.06831504       2.77533848      -0.70824403
Cl       1.91150995       3.02529001       0.60820496      -1.54918294       3.83018790       2.87867063
Cl       6.06643000       0.05216421       2.80327998       0.53485659       0.57420170      -0.63581749
Cl       6.41433996       6.58376997       8.02739002      -2.34999445       1.86623668      -1.31432842
Cl       7.14096000      10.29710003       7.75106002       1.97809849       2.12772063       2.88336670
Cl      10.13079996       5.74183003       0.34294997      -1.17115715      -2.23931365       0.83465895
Cl       9.80388004       7.40906995       8.36499998      -1.28248053       0.46014061       0.44037990
Cl       4.14135999      10.30110001       4.81745006       1.17727991      -0.68500141       3.92243293
Cl       1.57012000      11.36770001      11.35379996      -0.31292283      -0.24054612      -0.20560659
Cl       0.87376601       7.01601996      10.76529999       1.80447273       0.16963245      -0.52168493
Cl       3.19465996       9.50206000       2.42231000      -3.23018869      -0.91452688      -2.76822852
Cl      10.83020001       8.79575002       1.42112005      -1.76696992       1.20735673       0.77912164
Cl       0.01350978       3.99141004       8.61072003       0.16049234      -2.06430307       0.38565394
Cl       8.21772999       4.25084997       7.38240004       0.80057978      -0.27654260      -0.57075644
Cl       7.99154005       8.53714999      11.14529995      -1.16088702       0.66787960      -0.05795908
Cl       2.76409999       8.67077995       8.33542000       0.00616602      -0.84990755      -1.10917995
Cl       0.58399100       9.25180002       5.33028001      -0.49027368      -0.07324172      -0.10387769
Cl       6.08473996       2.88384004       5.76398004      -0.54803195      -1.44385624      -0.56639747
Cl       7.52267001       8.09278996       3.32404995      -0.11484329       0.35182007      -0.28617180
Cl       2.66383000       1.86194999       5.08233999      -0.71894762       2.41378571       0.63655110
Cl       2.42754002       5.18680003       6.76053998      -0.45401394      -0.17337624       1.35503207
Cl       4.81668000       5.83895996       4.50889003      -0.49020600       1.52351710       0.56291315
Cl       1.52340004       6.04095998       3.15504000      -0.17860802       0.12068055       0.04940031
Cl      10.68450005      11.29690001       8.23039999       1.68326508      -0.99102154      -3.01321916
Cl       9.05920004       0.90051600       5.10683998       0.72698455      -0.33704096       0.38800681
Cl       2.98552002       0.63292598       8.48692997       0.76468900      -0.70402055       0.80971647
Cl       8.86694995       1.75463995      10.11320000      -3.19345487       0.03667288      -1.14871525
K        7.84502999       5.46884005       9.74112002       0.98407380      -0.98178472       2.53258769
K        3.47115000       4.72354003       9.95248995      -0.19516543       0.38870223      -0.05782994
K        1.03411996       1.83304998       7.41397000      -1.02456272       0.18681790      -1.25874428
K        4.42902997       9.01258996      10.52459998      -0.04927397       0.56428647       0.35834514
K        5.54581996       1.20903001       8.07831004       0.67698449       0.49735375       0.39795743
K       10.85900004       2.43113006      11.40469995       1.24113910       0.66165752       1.23780885
Li       4.94080004       9.26660002       3.17204996       2.59441638      -0.41266486       0.47304810
Li      11.23279996       8.08067003       7.07878999       1.10022067       0.95733934      -0.81902950
Li       6.17886997       4.84156002       6.53737998       0.30986982       1.09040147       0.20820305
Li       7.70428001       8.83317003       8.85235003       0.84509437      -2.39645522       1.19936501
Li       9.21746001       6.09159995       3.39841997       0.02749345       0.69019519      -0.22923868
Li       9.91850005       7.61538002      11.01389997       1.14767575       0.74761617      -0.07961918
Li       3.58698004       6.87412002       6.51907002       0.90862030       0.81681203       0.46785479
Li       7.08347005       1.28580995       0.84765698      -0.17596186       0.26609958      -0.23721583
Li       5.46055005       3.99906000       4.07010000       0.45424806      -0.74208588      -1.11638632
Li       7.32447000       1.70349995       4.28962002      -0.34103285       0.04838216      -0.65303460
Li       6.58706006       7.09422002       1.34281000       2.68742489       0.59810416       1.73182837
Li       0.88458202       5.09988001       0.97458699      -0.10170717       0.50233125      -0.11359720
Li      10.34940000      10.52170004       3.10991999       0.52656624      -0.28007824       0.22938341
Li       3.31934998       0.47961898       3.92784005       0.46088173      -1.16857963      -1.90013010
Li       2.30305997       4.38882001       4.88138006       0.08183977      -0.50934926      -1.25365026
Li       2.23852997       8.15919005       4.41164999       0.10411726       0.20735127      -0.71381382
Li       7.98906005      10.32240000       1.88552000      -2.41110525      -3.09469641       0.64009568
Li       9.89789004      11.46499999       9.88429006      -1.08872996      -0.41739410       2.97204655
Li       2.80439003       1.87737002      11.04859998       1.33174964      -3.73529485      -2.38727596
Li      11.05740002       5.80543005       8.85708002       0.23372049       1.80454985       1.13709293
Li       6.17824005      10.18019999       6.27248005      -3.07972407      -0.63261028      -4.78131180
Li       9.03383001       2.33988998       6.93003004       0.29842954      -0.56471733       0.07664041
Li       1.65593998      10.38080003       9.14259998      -0.40599266       0.52638515       0.31495474
Li       1.15152003       8.07434998       1.65848004       1.77346451      -0.55613220      -0.21499356
60
Lattice="11.50542303 0.0 0.0 0.0 11.50542303 0.0 0.0 0.0 11.50542303" Properties=species:S:1:pos:R:3:forces:R:3 energy=-445.33887128 stress="-0.02398099395609406 -0.0066961486459857856 0.0012519258326204135 -0.0066961486459857856 -0.016762098398733546 -0.0006887687572478652 0.0012519258326204135 -0.0006887687572478652 -0.014545589729279365" free_energy=-445.33887128 pbc="T T T" config_type=melt 
Cl       1.09396001       8.79999000       7.65723997       1.38925518      -1.05378634       0.80567936
Cl       5.74607001       0.76368695      10.24079997      -0.13266729      -0.34921395      -0.82881912
Cl       2.65166002       0.38305304       7.16857002       0.47942071      -0.15294117       0.02401332
Cl      10.76099995       6.92955004      10.03060003       0.37419696       1.29478902      -0.02552380
Cl       8.54898999       2.34420003       1.90141003      -1.52962268       0.75980628       0.25108759
Cl      10.64769996       0.19895695       6.28534000      -0.19243956      -0.51199317       0.24379048
Cl       2.63131004       8.44960005      10.30810002      -0.29786835       1.20394037       0.20230101
Cl      11.16030003       7.16718995       5.22006002      -0.74298440       0.30793531       1.31686149
Cl       7.17335996       6.75824004       1.01816999       0.20024105       0.22266439       1.26868626
Cl       1.84450996       6.74951997       3.14465003       2.72822116       1.01870046      -1.98933382
Cl       4.98281003       9.27148005       0.80684402       0.66911793       0.28230665       0.36168887
Cl       9.16233005      11.00419998       0.76795903      -0.40678734      -0.25738439      -0.47100132
Cl       3.75341001       5.53600998       6.78522003      -0.53810934       1.19539888       0.73832089
Cl       2.92164996       9.35878998       4.36127005       1.12040663       0.88244276      -2.35220755
Cl       8.12440996       5.25696999       5.37934995       4.23716856      -0.29812439      -2.21280440
Cl       3.70373995       4.22572995       3.38602000       1.85020991       0.91164353      -0.37722938
Cl       7.84281002       5.04076997       9.11781005      -0.10814261      -0.40256792      -0.00315459
Cl       6.16539999       7.72455003       8.59915996      -2.80343810      -0.79286865       0.43086149
Cl       4.32706005       1.27143001       1.81568001      -1.36083572      -0.23230220       1.11734939
Cl       8.40409000       9.76608000       9.17756001       0.96749419       0.66135536      -0.16987626
Cl       1.91845002       2.45476001       4.82952995      -2.53392169      -2.50126752      -0.16226028
Cl       0.26091895       0.89024200      10.31690006       0.18629817      -1.37355752      -0.65470205
Cl       5.53672999       3.00012995       6.97912000       0.20345524       0.10648114       0.40941177
Cl       5.86514999       6.74221000       4.34032005      -0.20371963       1.59065544      -0.29758902
Cl       5.98676001       0.25000099       5.24361001      -0.30216184      -0.81301088      -0.62961650
Cl       0.02356322       3.47976998       8.22490006      -0.55019993       1.99005210       0.11671513
Cl       8.85052998       8.87878995       3.22332998       1.87444442       2.21819023       0.32017902
Cl       0.38708005      11.46350003       2.71850998       0.56857471      -0.27386510       0.30246466
Cl       3.69792005       4.99221997      10.77400005       1.06914923       1.17466878      -0.16616351
Cl      11.48160002       3.28419999       1.69998999       1.30229356       1.52936392       0.12027731
K        9.87056006       2.60042005       4.76192995       0.04407529       0.38299202      -0.16977083
K        9.60151000       5.45425003       0.28846005      -0.13841863      -1.71512194       1.00823919
K        8.77694003       1.38875001       9.55327996      -0.11290184      -0.13141816       0.18185625
K        0.00337696       9.37400004       0.19822199      -0.19558191       0.41316781       0.16263524
K        2.18280000       2.88438999      10.23090001       0.00886795      -0.34906676       0.08370470
K        6.35036002       3.95853997       3.93425996      -0.01957082      -1.40224174      -0.71720925
Li       3.11124000       3.80109999       5.49468998       1.67963458       1.47167457       1.15060989
Li       5.08248001       9.99715998       3.66328999       0.22165314      -0.00188287       0.05946372
Li       2.48677005       9.38018006       6.20947002      -0.14743672       0.60530235       1.44519088
Li       6.98815003       6.46049005      10.56990006      -0.58889906       0.12434521      -1.57206827
Li       2.19662998       3.18008995       2.74174001      -1.72723162      -1.09565005      -1.08372110
Li       1.94925004      11.02240006       8.95270999      -0.55543309      -0.37756715       0.97543819
Li      10.88530006       9.70333000       7.46209005      -2.25497418       1.06632778      -0.14466004
Li       7.98243005       8.12868998       7.95971996       1.49589412       0.03384020      -0.78534609
Li       5.25750004       9.52808998       9.66406004       0.33012226       0.50592485       1.03482463
Li       7.65914999       7.44300002       3.09830998      -1.98469640      -2.52645505       0.54863516
Li      10.54129999       1.40930997       1.73614003      -0.42053766      -1.00556913      -0.58082423
Li       3.03340996       7.51021999       8.56629000       0.27930186      -1.40249738      -1.26519856
Li      10.70549998      10.43449998       4.28257997      -0.19654171      -0.41938258      -0.26547963
Li       0.08817699       6.18731000       3.39223005      -2.48987727      -0.98956958       0.47062362
Li       5.06987996       0.66655702       7.23434998       0.10948221       0.72148637       0.03369391
Li       7.09096997       5.35815995       6.86611006      -2.48808942      -0.22927042       3.12441252
Li       6.13017004       1.50003000       0.85760503       1.08588252      -0.07158297      -0.31674327
Li       3.11435004       0.54664600       3.91587004      -0.13380050       0.03594814      -0.11544543
Li       7.76114004       9.17476995       1.11464999      -0.03934577       0.50847401      -0.15152363
Li       3.10947001       8.08299999       0.79988497       0.50217507      -0.63946393       1.19945868
Li       5.12869005       4.90576005       8.92515001      -0.25722991      -0.45757349      -0.34903966
Li       3.83848997       6.21072998       4.02670995      -0.47292734       0.76757892       0.34375475
Li      11.31600005       6.32138005       8.17409004       0.35260475      -0.76765140      -1.49499669
Li       0.39691305       1.64496001       7.57005003       0.59675091      -1.39260904      -0.49992111
60
Lattice="11.50542303 0.0 0.0 0.0 11.50542303 0.0 0.0 0.0 11.50542303" Properties=species:S:1:pos:R:3:forces:R:3 energy=-444.10743868 stress="-0.019216390952345123 0.0032818399368320134 -0.00026334494245042975 0.0032818399368320134 -0.02155263798741358 -0.0036785865325241925 -0.00026334494245042975 -0.0036785865325241925 -0.02771585895931206" free_energy=-444.10743868 pbc="T T T" config_type=melt 
Cl       1.35473998      11.31499999       2.65489995       0.18983178      -0.45815077       1.53631664
Cl       7.21904995       2.94231002      10.82909998       0.20125464      -1.70593903      -1.99513750
Cl       5.71499996       5.71478999       0.42769696      -1.10600009       0.92823492      -0.50555489
Cl       8.75140996       8.29813000       5.66025002       0.52501185       0.16549202      -0.59674692
Cl       1.85078996       3.73158998      11.35249997       0.09874877      -0.25930762      -0.25298100
Cl       3.34976997       7.98022999       2.50975996       1.56863064      -1.91466084      -1.29382586
Cl       6.63021000      10.97830000       3.06354002      -0.50400057      -0.14619539      -1.41900066
Cl       2.55811000       6.35585996       5.69430999      -2.91848614       2.11183180      -1.24330169
Cl      10.54370002       1.04538998      10.72869998      -0.03486055       0.21505324      -0.31772342
Cl       9.55916003      10.32329995       1.45975998       1.72317101      -0.77531928       0.77250931
Cl       1.56201006       7.28927997      10.46409998      -1.16235391      -1.12418564       1.17815628
Cl       7.58058003       3.59002000       2.28562005       0.24220363       0.16807407       1.46995192
Cl       0.01318786       5.77512995       1.69907002      -0.32671061      -0.20103928       0.65680491
Cl       2.73643002      11.03730004      11.32580002       0.38178675      -0.32447322      -1.01134501
Cl       4.33888003       4.32435996       8.28907006      -1.79286466       1.51608994       0.07546656
Cl       7.94568001       7.48126004       2.42309996      -0.18349697      -0.90868643      -0.51526005
Cl       6.06138004       6.05193995       5.08174999       0.73683993      -2.76448735       0.73571437
Cl       7.82129005      10.75790005       7.28874003       1.84570541       0.80006774       4.10832809
Cl      10.20010000       5.35469003       5.18729004      -0.19133226      -0.43366885      -0.59334355
Cl       0.20831397       2.65082001       7.58037995       2.28971346      -0.41146668      -1.61763448
Cl       0.59797595       9.84770005       7.64569002       0.04437731       0.25157739      -0.38688586
Cl       4.05039996       0.93814000       8.12020002       0.10910839       0.03502947      -0.15287376
Cl       3.88365002       8.17517005       9.05310999      -0.74800149       1.75530018      -0.88300129
Cl       6.63578000      10.58950000      10.98520004       2.53405733      -0.75558079      -6.67425857
Cl       4.92135001       9.62302997       5.66728996      -0.61443154       1.39520323       0.49851907
Cl       7.84770005       4.19745997       7.21497001      -0.27086785      -1.43216219       2.55908028
Cl       3.70851999       4.13949002       3.14583002       2.95636945       0.99933742       2.79332428
Cl       9.96100005       0.81832505       5.04764999       1.03520687       0.05387976      -0.42720716
Cl      10.78370004       6.06561001       8.37545001       0.03513659       0.08622668       0.53183580
Cl       6.72793004       7.58548997       8.21456002       1.77668251      -0.54272494       0.08761863
K        0.88125097       3.43962997       4.90034997       0.07735589       0.40921502       0.07187548
K        9.36721000       1.54196002       7.97104003      -1.46244208      -0.57601829      -0.08990578
K       11.02390002       1.82218000       2.07302998      -1.19625260       0.74431640       0.20682506
K        8.43375996       5.32814001      11.24610000       1.01564275       0.98471161       0.33494628
K        7.19464005       0.57451697       5.40210998      -1.60827201       2.34697457      -1.96373707
K        9.11077000       9.17340000       9.55084000       0.14197029      -0.28780784      -0.16839834
Li       7.59674998       4.43397995       5.30246002       0.33916460       0.32401279      -2.33700905
Li       2.58984000       9.35287999       3.51910000      -0.77193681       2.38874533       1.35805847
Li       8.96118005       6.08885004       7.04512995       0.24939749       0.79950356      -0.28116334
Li       1.24934996       7.22551002       7.41981003      -0.35745066      -0.10962320       0.06136644
Li       2.65315999       5.42064004       9.80393998      -0.09460880      -0.32698365       0.25345255
Li       5.76562002      10.67950002       0.94335495      -3.89726555       0.17273362       6.26997282
Li       9.84954000       6.60233995       3.30803003       0.07348354      -0.18038197      -0.04403853
Li       2.14152004       6.59536996       1.37613995      -0.46391262      -0.10157321      -0.53713479
Li       5.95577004       3.63293006       0.79555605      -0.62770647      -0.21259209       0.80972123
Li       3.82244002       5.30943000       6.51022005       2.76177060      -1.54175092       0.71107225
Li       1.86568005       0.50955298       7.88092001      -0.12796160       0.12882100       0.21276235
Li       5.31423996       6.82393002       9.44845002       0.21747899      -1.27232742       1.12083044
Li       4.69148995      10.56440000       9.17607995      -0.06009752      -0.32212261       0.21445695
Li       5.76372002       3.26617997       9.06084003       1.74231446      -1.43982085       0.71913314
Li       8.26692005       9.44530996       3.18821002       0.02533483       0.15689373       0.32490130
Li       5.92128000       5.50310999       3.03947999       0.09994590      -0.12023897      -1.32393814
Li       2.43263002       3.62385999       2.00162997      -2.81515565      -1.00855739      -3.32101524
Li       8.32493004      11.38399997       0.34320401      -0.08109668       1.65698880      -0.25806863
Li      11.01889999       3.06751997       9.34525006       0.11834830       0.95530714       2.41323396
Li      11.33210004      10.44429995       4.99690003      -0.50369559       0.24452455       0.14874476
Li       6.90379998       9.16553995       6.79940000      -1.00787601      -1.79573103      -1.08646230
Li       0.71296104      11.40849997       0.51618102      -0.00492231      -0.56488078      -0.46811254
Li       5.35413996       7.79098004       5.05826995      -1.02398093       1.39467907      -0.75845029
Li       1.71501999       9.09390995       9.46575003       0.80199658       0.82963346       0.28853609
60
Lattice="11.50542303 0.0 0.0 0.0 11.50542303 0.0 0.0 0.0 11.50542303" Properties=species:S:1:pos:R:3:forces:R:3 energy=-444.89248257 stress="-0.019918382221845988 -0.004027729868369828 0.0017441622937954683 -0.004027729868369828 -0.022341752423104638 -0.0017631852277244264 0.0017441622937954683 -0.0017631852277244264 -0.019775053467064048" free_energy=-444.89248257 pbc="T T T" config_type=melt 
Cl      10.70869998       0.50623206       3.26470003      -0.73250813      -1.24166813      -0.27410101
Cl       0.35337802       3.08310004       5.95061998      -0.78144250       0.39595909       0.56614416
Cl      11.08149997       4.05092000       9.56446001      -0.25339019       0.41143633      -0.17135717
Cl       5.45681999      11.39369996       7.85506997       0.46782471       0.35290680       0.17747603
Cl       1.23747003       1.46893003      10.48330000      -0.68519033      -0.54102425      -0.41807174
Cl       2.96010005       4.09100996      11.03040001       0.08220884       0.49839338       0.67329510
Cl       0.80069702       7.65792995       6.52807003       0.21025967      -0.25282128       0.38591730
Cl       3.64351999      10.21160001      11.43450004      -0.37425483       0.06427136       0.37997197
Cl       2.90162995       5.68152999       3.77897000      -1.11776356      -0.93716630      -1.42950728
Cl       3.68985003       4.56930006       7.71716999       0.07199998      -0.06053284      -0.24451317
Cl      11.01839997       6.06278002       0.95988295       0.30661239       0.87968828       0.25740924
Cl      10.29080001       7.24569996       4.14750999      -0.66546678       0.35068926      -1.32361666
Cl      10.96309996      11.08060001       7.12517997       0.18076292      -0.11781731      -0.25992936
Cl       3.09704001       1.79868995       6.02699999      -2.19731318      -1.98639870      -0.36318864
Cl       9.28851003       2.92767995       1.91281995      -0.24502667       0.50508295      -0.22176487
Cl       9.43108005       0.74386495      10.07349996      -0.91030848       0.17746849       0.05540634
Cl       6.96444000       2.21266002       5.35385002      -0.84144933      -0.16425416       0.67784459
Cl       6.89633998       4.14391995       9.52878997      -0.23042574      -1.56986075      -1.78281731
Cl       8.05039995       8.33552999       8.51829996       0.29679691      -0.49775753      -0.68334726
Cl       8.33452004       9.97028999       4.78856995       0.13295302       0.52156588       0.69146803
Cl       5.98789997       1.61674998      11.17669998      -1.78222535       0.32260311      -4.03915151
Cl       1.61008995       2.35253996       2.70873003       0.45442058       1.30558186      -0.56535016
Cl       7.01055006       6.01889005       4.92213997       0.20457381       0.31176514      -0.27443873
Cl       7.13365003       9.64338997       1.73090000       0.99074231       0.86242575      -0.16305902
Cl       5.46241002       4.10325000       2.40921004       0.16949244      -0.38288995      -0.08430745
Cl       5.27563995       0.58358497       3.81727006      -0.55376982      -0.89369802      -1.67261108
Cl       7.63641999       7.08481998       0.10436005      -0.57330050       1.07908535       1.59677522
Cl       4.43314005       7.70019006       2.28434997      -0.72015624      -3.68505585       0.90381919
Cl       4.12154995       8.13373005       6.65942997       0.82916453      -0.37065495       0.01443352
Cl      11.13140002       9.22829996      11.06869995       2.72624690      -2.05313382       2.22898154
K        1.57731998       6.43695996       9.61308998      -0.33634586      -0.18589643      -0.41010023
K        9.08594003       1.68611998       6.70877006       1.19533405       0.04156882       1.70643021
K        1.13447003       8.07529999       2.06112002       0.36607133       0.49459882       0.36426698
K        2.29117004      10.71440000       7.30092001       0.62888791      -0.75209363      -0.07357597
K        5.75561997       9.15688005       9.87221005       0.05689490      -0.06059521      -0.33575902
K       11.30250004       4.76071003       3.73763999       0.04023703      -0.75767321      -0.53325320
Li       4.93336996       6.09573006       4.07974005       0.40524885       0.52364985       0.04718685
Li      10.20370004       8.41062002       5.87536001       0.06886046       0.74105908       1.11750514
Li       1.60057002       2.51670003       7.96799995      -0.27682072       0.65493172       0.17026026
Li       6.37628002       6.96781006       6.78389000      -0.37312856       0.82519806       0.82350372
Li       7.36534003       3.94812998       4.50762996       0.32824785       0.88925877      -1.18240079
Li       9.42220005       8.39836996       0.00237702      -1.59408310      -0.86141240       0.14485321
Li       5.69104003       1.72855002       1.33027001      -1.37958577       0.63486585       7.69151175
Li       7.70707997       5.52668000      10.51720004       1.74960195      -0.06818117      -0.73229576
Li      10.43090005       4.24885999       0.24205903      -0.28793068      -1.21493626      -0.76159088
Li       6.69256996      11.06289995       5.72881003      -0.98986081       0.15833267       0.28594490
Li       0.03923349       1.64782003       1.46479004      -0.61423966      -0.26096284      -0.64830431
Li       5.00143006       9.29959999       1.64654005       0.83299241       3.82517070      -1.32696379
Li      11.30790000       1.11136001       5.19856996       0.66207113      -0.42094329       0.35909505
Li       8.18074995       0.25498100       2.73051002       0.31670261      -0.21814173       0.22008554
Li       2.14401004       5.84602004       5.57654002      -0.58340931       0.58453356       2.78117374
Li       6.41667003       5.88064998       1.55554999      -0.05407525       0.52647518       0.17272770
Li       7.17414003       1.05237999       9.90430995       2.73550286      -1.20394513      -2.99180451
Li       3.11273997       1.33682994       3.63439999       0.91289178      -0.47958466       0.91868436
Li       4.93654005       4.14177004      10.21780005      -0.64317645      -0.23098547      -0.46935313
Li       3.15090000       0.78527504      10.59700004       1.07370022      -0.34258549       0.34090235
Li       4.69506998       2.79673996       6.20214003       2.26691373       1.46151229       0.68935902
Li       8.60066004       8.54835006       3.23562996      -0.10026183      -0.41031964      -0.20767971
Li       3.25224000       4.67699001       1.66188000      -0.12872404      -0.34855999       0.23164316
Li      10.78100006      10.55010003       9.86071004      -0.73858445       3.17147199      -3.02986246
60
Lattice="11.50542303 0.0 0.0 0.0 11.50542303 0.0 0.0 0.0 11.50542303" Properties=species:S:1:pos:R:3:forces:R:3 energy=-445.9197037 stress="-0.018880922968964098 8.669489255850213e-05 0.0014301459715820115 8.669489255850213e-05 -0.014967238710565012 0.002776453982819221 0.0014301459715820115 0.002776453982819221 -0.00949374034830505" free_energy=-445.9197037 pbc="T T T" config_type=melt 
Cl       5.47889004       2.75241002      10.95880004      -0.97248331      -0.05043734       0.16972242
Cl       9.01887998      11.49339998       5.13711995      -3.52555351      -1.48981133      -2.94366734
Cl       5.08944999       6.53053000       2.07563998      -0.37853139       0.32649898      -0.44987155
Cl       6.31813000       0.84872204       7.52403996       1.10726138      -1.50535116       1.21147704
Cl       1.27844004       8.74945001       2.42089000       0.06306850       0.67225483      -0.07721874
Cl       3.97966002       6.02949000       8.47282006       0.20291927      -0.30025404       0.30219623
Cl       2.49683005       7.86025995       5.31210996      -0.15693288      -1.14089780      -0.00328270
Cl       5.82185002       4.13278005       7.38700002       0.65842562      -0.78702200       0.07983658
Cl       0.24704203       0.35816900       0.82425299      -2.07768046       2.98431113       1.68274431
Cl       0.18594305       6.25422002       7.86734004       0.37844367       1.05473294       0.14175350
Cl       7.47488005       2.07332003       2.82446998      -0.32076944       0.47101388       0.21594214
Cl       2.78562997       3.12014002       7.35077002      -0.96130911      -1.34420757       1.19826976
Cl       6.46680998      10.12600001       2.35371996       0.44985791      -0.14905115      -0.41608848
Cl       1.21379003       1.58899004       4.72845998      -0.51642522      -0.61071724       0.40150732
Cl       8.19757997       0.02687701      11.10930006      -0.01725167       0.14201610      -0.61690301
Cl       9.91402996       2.64271996       6.85286996      -0.35575173      -0.28307940      -0.10308033
Cl       3.24523998       8.14093003      10.95640001       0.80163233      -0.15411250      -0.84305005
Cl       8.02607001       4.92341006       5.41504001       0.76200739       0.27471016       0.05974171
Cl       5.55580000       8.92354996       8.72982003       0.71082742       0.51262678      -0.25704312
Cl       2.36420002       4.46813000       0.72611703       0.51576383       0.41686105       0.22739050
Cl       9.57333000       5.76826995       1.67589004      -1.27801941       0.38570088       2.40443104
Cl       3.80385002       4.18806004       4.02286000      -0.10312674      -0.68099560       0.21787610
Cl       3.54405998       1.18777006       1.37238998       0.50632782      -0.44595819      -0.34994714
Cl       8.39977006       8.36308997       6.39242995      -1.58121854       0.82944767      -0.12616261
Cl       4.01858999      10.47449996       4.69933999       3.21815850       1.59996788       1.00791122
Cl       7.83237000       6.82621995       9.64219996       0.63284864      -0.45706633       1.01950029
Cl      10.63240004       3.29346002      10.67519999       0.01792503      -0.22692037      -0.32506674
Cl       2.73451000      10.60519996       7.86389002       1.45285444      -1.71721426       1.52744541
Cl       0.04742144       6.39991998      11.29940002       1.86189324       1.93455483      -0.77651686
Cl      11.10469996      11.49180003       8.62986000       0.03660148      -0.83304443      -1.07821810
K        1.41557996      10.15500000      11.17050005       1.57301697      -1.93192262      -2.03818591
K       10.61240005       3.41018000       3.05635005      -0.15733476      -0.44378178      -0.02547772
K        9.42422995       8.76897000      11.23110003       0.08403510       0.12593852       0.31103325
K        5.15952999       1.95140005       5.51525995      -1.21409608       0.29778826      -1.79516034
K        7.64013003       2.97068999       9.52725998       1.69097267       0.11149605      -0.83291612
K        7.38742998       7.03960999       3.91494995      -0.34231425       0.87894224      -0.87310411
Li       3.35742005       6.27786999       3.57368000       0.30712878       0.46391649       0.59216725
Li       6.81373001       6.17696996       7.82899005      -0.32697708       0.07786739      -0.56210253
Li       2.40550000       1.85676001       2.97107001      -0.11430388       0.43861955       0.32519338
Li       5.79591001       7.94633996      11.01069996      -0.50144550      -0.07627425      -0.19055631
Li       5.71735006       0.72836104       0.61938996       0.54748974      -0.65877023       0.29589135
Li       2.36674997       4.91950005       9.42737001      -0.26134789       0.10579295       0.22771154
Li       3.62387000       4.87062996       6.55473005       0.50944417       0.60055282      -0.55740172
Li      10.14359997       7.82589003       7.07904000       1.85892241      -0.85215531       0.67598583
Li       2.29021003      10.12460003       4.07133005      -2.48452647      -0.99279381      -0.70906672
Li       8.23769006      11.37080003       3.11278001      -0.61761936      -0.02995702      -0.56189713
Li       4.89332004      10.17370000       6.86110002      -0.41815433      -0.06521365       0.11058797
Li       1.71260995       0.41703396       6.94980004      -1.30310285       2.16060900      -1.16544936
Li      10.30399995       0.43538500       6.25807997       3.75186273       1.75796299       3.39085151
Li      10.32389996       0.92303200      10.32940001      -0.33761798       0.51705520       1.21231466
Li       5.08861999       3.17041999       1.70702004      -0.30905529       0.42234388       0.23819200
Li       0.13454396       7.02645999       2.31169997      -1.03902935      -0.98094129      -0.70964653
Li       4.84843002       1.97080004       8.72922002      -0.50248878       0.59180729       0.07502030
Li      10.97800006       4.40411003       7.36455996      -0.14810823      -0.67940071      -0.08916694
Li       2.79020004       7.64428003       8.58696997      -0.64082410       1.66907536      -0.06665617
Li       7.86047004      10.36910005       8.04284998      -0.52800774      -0.10423230      -0.07352329
Li       9.70326005       5.51973004      11.11879997      -0.50530044      -0.69879774      -0.99267506
Li       1.63328995       2.85157998      11.15660000      -0.83771059      -1.03302442       0.23319061
Li       2.71721999       7.46020995       1.32666996       0.54906313      -0.57231520       0.01431537
Li       7.84559997       2.84268997       5.13426995       0.58566617      -0.52874405       0.03890209
60
Lattice="11.50542303 0.0 0.0 0.0 11.50542303 0.0 0.0 0.0 11.50542303" Properties=species:S:1:pos:R:3:forces:R:3 energy=-446.31494549 stress="-0.02097929178570623 -0.0007644861022802911 -0.0028730495316437463 -0.0007644861022802911 -0.020379270335187254 0.0038384768509037532 -0.0028730495316437463 0.0038384768509037532 -0.019902968946131312" free_energy=-446.31494549 pbc="T T T" config_type=melt 
Cl       2.87021002       9.19608996      11.00980001       0.61643303      -0.38198378      -0.82365260
Cl       0.16247694       9.78976000       1.06547005      -0.39987547      -0.61260581       0.57265073
Cl      10.45730005       2.32426999       2.11469997      -0.37364011       0.01747024       0.39771748
Cl       8.01443998       6.19889999       2.66428999       0.50956051       1.93673399       0.30235195
Cl       2.84102997       2.28772002       5.36882997       0.76779916      -0.03200292      -0.07484114
Cl       3.51292999       5.68421996       7.21591001       0.03160275       1.76382575       1.48405273
Cl       5.11061997       0.20466997      10.98359998      -0.09997900      -2.52487311       1.04848140
Cl       4.75444003       7.88985995       2.38153996      -0.65466153       0.49036107      -0.29483971
Cl       6.15776005       7.89660995       5.35577005      -0.36039420      -0.63619388      -0.12851914
Cl       8.60230002       9.96743998       3.80464999       0.19170707      -1.90897764      -0.04371742
Cl       6.18668997       3.31351006       0.81003402       0.38962506       1.03838542       0.61369701
Cl       9.16998001       6.00485999       7.37766003       1.67478339      -0.11189096      -0.14103041
Cl       7.20454000      10.89440004       6.75372002       2.16020908       3.83957682       0.39082543
Cl       1.65385002       9.88717999       4.75622004       0.74834567       0.51308615       0.42835092
Cl       2.24320002       1.26795998       0.53499504      -0.30989280       1.49288014      -1.06688730
Cl       6.88832001       8.84723000       0.46850600       1.15907703      -0.98996978       1.43643050
Cl       5.46912999       4.27339001       3.95833000      -0.31317580      -0.36191733       0.66303250
Cl       0.98951206       3.28720003       8.44915996       0.04605438      -0.49077423       0.89596480
Cl      10.24450000       7.78067003      10.15430001      -0.07503956       0.42364449      -1.10066197
Cl       2.53767004       4.91761006       1.66170995       1.34620628       0.33147945       0.62226882
Cl       0.69681202       5.07177997       5.03525002      -0.68466674      -0.03650977       0.25118165
Cl      10.82490004       5.50193000       0.88710896      -0.51196535       0.80003964      -0.09558647
Cl      10.76380003       0.80745703       6.58315995      -0.91888134      -0.59963192       0.39306011
Cl       3.96684999       4.68687996      10.33859998       1.46061186       0.88634567       0.92008255
Cl       8.25298997       2.83565003       5.67267001      -1.23706723       2.33648291      -2.00860169
Cl      10.47080005       0.28329504      10.14900004       0.49628225       0.27922646       0.24275851
Cl       7.59869002       1.85088005       9.39521006      -0.19096136      -0.00027731      -1.19266443
Cl       6.41904004       7.32109995       9.28399001      -1.11552803       0.01974823      -0.41726445
Cl       3.52318995       0.77301302       8.60297999      -0.82344538      -0.29583824      -1.02812042
Cl       6.03920000       0.77144805       3.71343005       0.78895037      -1.72280591      -1.36875827
K        2.22819004       7.29540005       3.60482001      -0.46412657      -0.35284985      -0.39618161
K       10.59809996       9.22509996       5.49986995      -0.39898424      -0.37655818       0.64240493
K        6.78860999       5.08972003       6.75015000      -1.22464682       0.06507225      -0.02573016
K        9.13649002       3.73319004      10.80380001       0.31874323      -0.15469310       0.06222355
K        3.00435002       9.00581005       7.49770002      -0.04191660      -0.04646892       0.19981888
K        3.49342001      11.04170006       2.06127006       0.43139621      -0.86910796       0.91575825
Li       6.73671006       9.06242996       2.91453996      -0.11383976      -0.39130254       0.15239346
Li       0.19037701       0.93453800       0.74645401      -1.24116050      -0.88782802      -0.03809569
Li       1.27692995       0.96640698       9.51289995      -0.13969186       0.15359125       0.06180463
Li       6.00547001       1.88193997      10.84139997       0.96390827       1.30172155      -0.76214490
Li       1.08327999       0.85231495       5.90615002       2.29414581       0.18670466      -0.91688202
Li       5.15250006       9.47086005      11.14350004      -1.45186673       0.31371715      -0.58059985
Li       5.32358996       2.22147996       4.79587003      -1.22880146       1.12145172       0.74897286
Li       5.38912001       0.54149100       7.50425006       0.27385326       0.41457978       0.40692208
Li       8.77661006       1.40299004       6.73980996       0.05840266      -2.53605685       2.42697298
Li       8.45567997       7.16385004       9.01751003       0.86197123       0.16407074       0.03661449
Li       5.67665998       6.22549995       3.29823005       0.72888321       0.90016203       0.07185183
Li       5.75081001       5.97324999      11.00130003      -0.29458987      -0.07950565       0.23710871
Li      10.33880006       7.72044996       0.74157905      -0.14332804       0.16363966       1.18503301
Li       3.39633001       3.23709000       0.26204199       0.03684147      -0.21964173       0.90972100
Li      11.41733187       4.61936004       7.23809005      -0.37104451       0.67970230      -0.74790267
Li       8.01128002      10.13760001      10.96000005       1.36184653       1.49772767      -1.02733320
Li       3.78714000       4.91272002       5.48485997      -0.43897780      -1.69550458      -2.31643203
Li       8.37017006       0.26187102       3.17915997      -0.45502533       2.42064993      -0.61188526
Li       6.21401996       9.40874998       6.79232002      -1.78110281      -3.69809074       0.19403569
Li       3.00023005       4.25347999       8.73417000      -1.26835326      -0.88783459      -1.69433347
Li       0.89901696       8.29173000      10.80069999      -0.14295431       0.35661748       0.39408206
Li       0.77407105       4.08315003       1.22114004      -0.71634114      -1.11263235       0.31092032
Li       7.35194000       4.41247999       2.38225997      -0.73262326      -2.18655617      -0.15693670
Li       9.92926004       3.55139998       4.48537996       1.00130894       0.29218926      -0.55994287
60
Lattice="11.50542303 0.0 0.0 0.0 11.50542303 0.0 0.0 0.0 11.50542303" Properties=species:S:1:pos:R:3:forces:R:3 energy=-444.29285514 stress="-0.014319652042197619 -0.007066895336636784 -0.007380175104599805 -0.007066895336636784 -0.03408689714416784 -0.00032511742041267964 -0.007380175104599805 -0.00032511742041267964 -0.01831082446163229" free_energy=-444.29285514 pbc="T T T" config_type=melt 
Cl      11.38079997      11.09070005       9.46318996      -0.20746815       4.65950265       1.81524029
Cl       1.63363005       2.53152995       4.61622999      -0.93094303       0.10758890      -3.43332068
Cl      11.42719996       3.67995997      10.57609998      -0.50492779      -1.11677691      -0.74984385
Cl       4.27705000       3.53263003       2.40902998       0.67741182       0.31760136      -0.24652794
Cl       1.50704002       8.21437996       7.62987996       0.29238785       1.68382900      -0.12875492
Cl       3.61293996       6.77319997       4.94112001      -4.45364704      -4.20209893      -3.53796094
Cl       2.03558995       5.55519999       0.79773806       3.80904245       0.97462345       5.25150763
Cl       8.14158998      11.09410001      10.50440003       0.24286999       1.59019268       0.66536347
Cl       9.39351001       2.17223998       6.21398003      -0.93425469      -2.40521536       1.55555562
Cl       7.08964995       5.85493996      10.74229996       0.13037945      -1.30733927       0.04480136
Cl       5.03844001       0.71555401       4.59190005      -0.17949293      -0.08097538       0.89629926
Cl       7.43052998       4.28845004       2.06951001       0.17044127      -1.29880144      -0.08834163
Cl       2.38348000       9.84963998       4.10199004       0.17827984       0.60315949       0.23336560
Cl       1.38861999       8.92586001      10.83960006       0.48970144      -0.65869673       0.93437671
Cl       3.28271004       0.69720701       0.87537504      -0.96545387      -0.00004559      -0.45813169
Cl       6.51498997       5.88559996       7.31572001       0.07062150       0.22951601      -0.52620625
Cl       5.95212995       8.69524002       0.58922401      -0.38919336       0.12825975       0.59851893
Cl       4.43321000       3.37237997       8.51778003      -1.10214024      -1.22022195       1.31656015
Cl       4.97805000       9.89495006       9.15033001       0.09052620       0.63402922      -0.37634568
Cl      10.40450005       5.67110999       5.88407997       0.38734454       1.58330827      -0.22871463
Cl      10.62129996      10.37630003       6.59933001       0.89514977      -0.92068262       0.29233951
Cl       6.66798000       8.87117002       4.92489000      -0.20557515      -0.18087970       0.20419826
Cl       4.03230998       6.87757003       9.76590995      -0.03392223      -0.99729420       0.54023595
Cl       9.72875998       9.28469000       2.49708996      -0.00481883      -0.36806921      -0.93365658
Cl       6.76357004       0.82486301       1.79461002      -0.84257219      -0.57692086       0.22824393
Cl       8.52349006       8.32249998       9.63354006       4.32591166       0.67767743      -0.74075638
Cl       1.92686002       4.43857004       7.33744996      -0.69303684       0.02050581       0.25332506
Cl       6.94668000       1.25854003       7.97723996      -1.38592978       1.07517577      -0.22864055
Cl      10.87770004       1.08219998       1.69545996       0.27826298       0.86892410       0.45759982
Cl       2.42809999       0.45893096       7.65255002       1.03898313       1.24425657       0.76353369
K        8.13020996       6.55625003       3.09208002       0.15198826       1.38526195       0.57686401
K        9.12868003      11.08820003       4.59155995      -1.15304553       0.98196660      -1.19185537
K        9.44273999       4.99480995       8.52230005      -0.83736252       0.14241282       0.34754446
K        0.31448302       7.94388999       4.06851996      -0.08281874      -0.31840096       0.18934811
K        4.95727006       3.83846006       5.60541000       0.21242630       0.05135891      -0.56302053
K        7.76045995      10.26680004       7.46696996      -0.19927405      -1.32732227       0.03734928
Li       0.92023296       6.41961001       7.13797998      -0.44274375      -2.16634893      -0.80674336
Li       3.60764999       8.03416005       0.31144306      -0.00767890       0.11007734      -0.32131800
Li       4.75036999       9.95664996       4.82254995      -0.23755582       1.15157860      -0.76628343
Li       5.72638998       4.97714004       0.72295004       0.15556615      -0.34731049       0.27530469
Li       8.14503999       9.34357004       0.48205997      -0.02151832      -0.15242108      -0.03562110
Li       3.09391997       8.61394006       9.13405996      -0.27917390       0.91104428       0.16375802
Li      11.19780000       9.32310005       8.93817001      -0.41769843      -3.11067787      -0.84808102
Li       4.65383006       1.41896003       2.53875006       0.46377373      -0.28088399      -0.04615672
Li       8.82302995       1.17795996       8.78561995       1.19394483      -0.24142583       0.35044684
Li      11.06849999      10.95130000       0.42647497       0.11646195      -1.31238162      -1.12835179
Li       0.98918599       2.30476001       0.37085200       0.01160167      -0.45341287       1.05286743
Li       2.12242000       2.15337005       9.43003996       0.04578519       0.06132179      -0.75943422
Li       1.70929995       0.31069900       2.97053996       0.22869193       0.31212411       0.18461101
Li       1.51512994      10.36940000       6.68915999      -0.77839241      -0.66575903      -0.71196157
Li       8.42392006       1.40268998       0.78641798       0.78653201       0.26813389      -0.44368405
Li       5.59945997      11.33600004      11.24629996       0.23702479      -0.51479050       0.15775386
Li       2.76538998       4.83202996       2.72134998      -0.65682937       0.47011494       0.76147029
Li       4.86086002       5.19898001       8.62496996       0.95160597       2.91547650       0.30416432
Li       6.77743995       7.71345006       9.74719995      -3.65130894      -0.77262152       0.13178441
Li       4.76037004       1.55012001       8.10030001       0.54276074      -3.05655781      -0.64574163
Li      10.09339997       3.69402995       5.44720997       1.36862288       1.50270384      -1.72410132
Li       4.70540001       7.78925998       5.76992996       4.82445331       2.88002719       3.58076958
Li       0.99335395       5.37601004      10.95960001      -3.14068998       0.50259843      -4.86897023
Li       2.15257997       2.26607004       6.40126002       0.37091320       0.00998126       2.37342451
60
Lattice="11.50542303 0.0 0.0 0.0 11.50542303 0.0 0.0 0.0 11.50542303" Properties=species:S:1:pos:R:3:forces:R:3 energy=-446.2004908 stress="-0.019885098294651137 0.0048651153929008826 0.0009539888300434748 0.0048651153929008826 -0.02043518151179354 0.007034910754328741 0.0009539888300434748 0.007034910754328741 -0.016547236325769262" free_energy=-446.2004908 pbc="T T T" config_type=melt 
Cl       5.39586000       1.02051998      10.90560000       0.13683001      -0.71648817       0.63387496
Cl       1.42571003       3.62676004       8.04116006      -1.09987007      -0.51897639      -0.15187405
Cl       8.68263997       2.89851002      10.68660002       0.17595599       0.70779685      -0.55763615
Cl       6.03925005       9.13401003       2.07986995      -2.99041401       2.83451779      -2.19987084
Cl       4.87889995       3.59745999       8.93698001      -1.06712028       0.23075094       0.14966887
Cl      10.08020003       6.11272000       4.96257003       0.28388263      -0.25663727      -0.46434730
Cl       8.34501000      11.35829996       0.21467704      -0.48907977      -5.28193422       0.70507682
Cl       5.41083995      10.17100002       5.88857998      -0.62073419       0.20550119       0.87165022
Cl       2.68256002       0.31428605       1.31589997      -0.36477122       1.12094312       0.32476300
Cl       8.23876996       9.24972996       4.44414004       0.18277595      -1.03014981      -1.74473875
Cl       8.70156996       8.76651002       7.78590995      -0.51257360       1.03000983       0.43712950
Cl       5.09273997       8.29749996       8.39517997      -0.36048727      -0.22523731       0.81380159
Cl       6.66129005       2.77698998       6.14487996       0.30883063      -0.29926792      -0.18330761
Cl       4.62494995       4.08322999       3.47636000      -0.58689518      -3.66572409       2.45378775
Cl       9.47329000       1.14775995       7.38272000      -0.60115395      -1.30570197      -0.90331550
Cl       8.80986004       7.73643997       0.09408226       1.50348035      -0.94565657       0.64581750
Cl      10.35529998       5.09605998       1.40338997       1.50263419       0.87715093       0.34175471
Cl       2.21236997       9.86951997       4.21218001      -2.04478920       3.71470162       1.69340267
Cl       8.52635997       1.97706002       2.74625002      -0.62321923      -0.00493527       1.01915466
Cl       6.88659995       5.77287005       2.47879001       0.76860570      -0.06191111      -0.78153248
Cl      11.18860004       0.54571199      10.23480001       1.57557148       0.44327916      -0.01662386
Cl       5.88356004       6.74631996       5.42449999      -0.10165920      -0.33108692       0.24870633
Cl       2.22936003       0.04381748       7.48419001      -0.69933592       0.96190040      -0.30024210
Cl      11.43929998       2.74464996       2.86963003       1.35877640      -0.48339582       0.70258823
Cl       0.57619998       8.08299999       7.01240001       0.91787361      -0.20930186       1.29556733
Cl      11.18470004       9.85495997       2.42000995      -0.61253947       0.48412880       0.26293204
Cl       2.24785005       6.54660998       3.41718002       3.47123403       1.98018797       0.70218115
Cl       2.78628003       4.57159999       0.44308903      -0.03964040      -0.44044793      -0.01247271
Cl       9.59175996       5.35049999       9.11395999       0.81979001       0.44644746      -0.49222640
Cl       1.29279996       8.49270995      11.37693599       0.48982349      -0.44515598      -0.22776238
K        6.17665000       0.35972096       4.08362003       0.52295228       0.93628093      -1.34903034
K        6.29359998       1.07067005       8.35915005      -0.00730538      -0.18653537      -0.36129718
K        6.87617995       5.22540003       8.19664998       0.26829215       0.67805764      -0.35080317
K        2.62450999       1.91571000       4.39860998      -0.25312430      -0.42878742      -0.01611810
K        6.74115000       8.97904004      10.86399995      -1.59123087       0.97149616      -1.09213513
K        2.91181996       5.39049997       6.34371000       0.40149129       0.58844842      -0.10072526
Li      10.19889998       2.94136002       8.06992005       0.20942865       1.99819716       1.03428300
Li       3.21808995       8.51544006       3.64654995       2.88080457      -3.31661532      -1.03923800
Li      11.43299996       3.33969997       0.28824801      -0.09681274      -0.24860637       0.22102706
Li       9.53955997       8.35183996       2.21934997      -0.08278174       0.04337849      -0.09459570
Li       8.19255003       1.57265004       0.67548799      -0.91241310       3.60774588       1.21084077
Li       9.61260997       4.34672995       3.45814001      -0.29171043      -0.32117225      -0.04305079
Li       0.82066595      10.55350000       0.30678497      -0.39313570       0.48292619       0.03060982
Li       8.83287997      10.47870002       5.80285997       0.61298392       1.10854459       2.19624898
Li       0.15004498       0.95287603       7.70609004       1.07089358      -0.59119041       0.72384668
Li       6.81428998       7.94162998       3.22588004       1.25700646      -2.92940210       2.72148385
Li       6.66372000       8.57341002       6.76597997      -0.23572876      -0.43150624      -0.15923196
Li       0.74215398       5.58454998       3.14934999      -3.96427737      -2.37766924      -0.92918145
Li       2.82226002       4.31262005       9.63600004       0.44804270      -0.20501599       0.32425629
Li       4.29265999       5.37792995       2.19237999      -0.52812321       2.40230322      -2.43711632
Li      10.56189999       7.07259995      10.35669996       0.36380627       0.14892072       0.04376677
Li      10.08600003       7.42009997       6.93910000      -0.15523589      -1.10388396      -0.19106626
Li       0.43983898       8.69610995       5.10420996       0.18576181       0.35917697      -1.56153288
Li       3.63323000      10.04290002       7.55699000       0.73924449      -1.01671766      -0.16144193
Li      10.36749999       0.48310995       3.00198002       0.00668930       0.24869570      -0.52250840
Li       8.59656998       5.01543998       0.40241299      -1.40146323       0.11366501      -0.71939057
Li       3.45086997       9.92472000       1.03155000       0.35636324      -0.86574823      -0.34041881
Li       6.24900001       4.40382999       4.90185005       0.21646150       1.04015501      -0.58201143
Li       4.29530002       2.22907999       0.69364700      -0.77312552       0.41374690       0.07675415
Li       9.22554004      11.47359995      10.00150006       0.46446451       0.06580409      -1.79813088
60
Lattice="11.50542303 0.0 0.0 0.0 11.50542303 0.0 0.0 0.0 11.50542303" Properties=species:S:1:pos:R:3:forces:R:3 energy=-442.7930709 stress="-0.04139021355641043 -0.0011533806610392902 0.001779226623951496 -0.0011533806610392902 -0.014853881757503675 0.0018652035931643026 0.001779226623951496 0.0018652035931643026 -0.02356985103249361" free_energy=-442.7930709 pbc="T T T" config_type=melt 
Cl       9.16716003       6.65577999       8.70190005      -1.40631251      -0.03786155       0.00372729
Cl       5.63751002       1.97836002       7.08784004       0.02896421      -0.25474661       1.46392662
Cl       9.62747003       1.40547003       2.21301002      -0.51362440       0.58475111      -0.87606208
Cl       2.43968998       6.74402003       5.12623997      -9.93496164      -0.49502766       3.88246499
Cl       3.23244998       9.88382995       8.86354998       1.26517133       1.25189075       0.07598040
Cl       1.50787002       7.29467004      11.01909996      -1.65500127      -2.00496731       3.98483285
Cl       1.32189004       4.00266005       7.84094004      -0.81761495       1.47123867       0.69534610
Cl       5.28069003       2.13270999       3.34009000       2.30679431      -2.12182113       1.14634860
Cl       9.49886000       1.70713003       6.98200004       6.52586188       1.17989215       1.66032212
Cl       7.47179004       0.52737994       9.96150997       1.06137516       0.33652537       0.04653005
Cl       3.27726004       6.97170004       8.85499995       2.49488767      -0.31041808       2.39313537
Cl      10.65820004       3.03333000      10.70710004       0.21242969      -0.01280208      -0.16024443
Cl       9.81753996      10.28090005       4.37290997       0.18739252       0.58559737       0.18274590
Cl       7.24488998      10.56800005       1.39901998      -0.56406180       0.56231731      -1.30500464
Cl       7.00511996       8.11601998       3.39521996       0.05622505      -1.06872919       0.56089365
Cl      10.21309997       5.34229996       3.83660998       0.05411996      -0.05511047      -0.07715853
Cl       6.14481000       7.94701003      10.92119997      -0.09077125      -0.23994234       0.01548471
Cl       1.45747995       0.98424695       6.94587002      -1.13000969       1.11647812      -0.41204976
Cl       0.47402101      10.68030000      10.12250006      -0.11095025       0.67047876       0.00195080
Cl       4.47259997      10.45940002       4.57400002      -1.08186711       0.28626270      -0.25409477
Cl       0.45550798       7.86957002       7.52739000      -0.03942811       0.05618420       0.78297464
Cl       8.30578997       4.48954999       1.21583006      -1.24411341       0.84805677      -0.05228058
Cl       5.79704996       6.81804995       6.41716005      -1.94181123      -0.17579936       0.65794968
Cl       7.69944002       3.37440999       5.53806001      -1.07301114       2.78422261       3.59327362
Cl       4.22938004       5.97254000       2.57641996       0.77382710      -0.10569549       0.01151708
Cl       4.01023004       1.34795994      11.41430042       1.50639994       1.27342555       0.04278483
Cl       2.83721005      10.19499999       1.17238006      -2.27009629       1.62056386       1.00360511
Cl       6.07193005       4.55145998       9.81879003      -2.20774103      -2.89908099      -0.56657544
Cl       2.10367997       3.35820000       3.02762998      -1.88268301       0.12631690       0.12115000
Cl       6.75790995       9.98388997       7.57006004       0.11448031      -0.32897619      -0.21955444
K        3.74125005       5.35897995       0.02837007      -0.50767942      -0.30343181      -1.27166330
K       11.15630006       8.01369006       4.92495995       0.27534897      -0.65488639      -0.03986304
K        0.08476805       9.75635999       1.11424005      -0.59110777      -0.44830965       0.68968227
K       10.99800005       1.55178001       4.35238003       1.43372239       0.20328919       1.85834352
K        3.34667996       3.28971995       6.23090002       0.17189321      -0.37857522      -1.03642758
K        9.68592000      10.31450003       8.67497000      -0.39606698      -0.34594277      -0.76685066
Li       2.54907997       6.20889003       7.37313000      -2.32426212      -1.40847059      -2.94319490
Li       8.65452003       0.74795904       0.41815102      -0.51113048       0.08949460      -0.26824672
Li       6.07656996       9.41469000       5.35744996       0.61645798      -0.42400282       0.51588739
Li       8.09138998       3.03182002       3.83813998       0.66900509      -0.80164539      -5.14014988
Li      11.11150001       5.81049002       8.71047999       1.02340135      -0.16523161      -0.05894656
Li       7.50340004       6.40371999       5.62146996       2.21814667      -0.53379230      -1.46102377
Li       7.32127000       5.90774997       9.85216001       2.81932371       2.76371461       0.31880591
Li       8.18949004       9.90933000       3.08740997       0.00287901      -0.05453447       0.35881596
Li       3.98395004       0.33866397       2.73131000       0.22657936      -0.09620566      -0.08899787
Li       7.88050995       1.11936997       6.81827005      -6.15281480      -2.02174655      -0.53456812
Li      11.28689996       2.45899999       8.55899004       0.04298452      -0.28646771      -0.17261839
Li       2.34219003       0.37264098      10.81049997      -0.83451089      -0.94465584      -0.66447176
Li      10.33399999       3.82834000       1.35530995       0.01017418      -0.62377310      -0.26902216
Li       1.71809999       8.47935997       9.58643997      -0.12962619       1.96067915      -2.48396199
Li       6.14899004      10.35409997      10.27239996      -0.26248515      -0.38847354      -0.22537473
Li       6.67724002       4.19292005       7.56911004      -0.08810296      -0.53675994      -0.34628552
Li       4.41747001       9.24764000       0.92685801       2.96700400      -1.91583644      -0.30006693
Li       5.21523004       7.65848003       8.40380996       0.39429583       0.97298439       0.19306359
Li       0.65647298       5.44812005       2.97148996       1.12148164      -0.38694038       0.28054235
Li       3.91868001       6.77888997       4.51115004       9.93165800       0.58983475      -3.70855828
Li       5.99770995       1.99758996       9.59565995      -0.97932702       0.48549701      -0.16037754
Li       7.13687005       6.59393995       1.26674995      -0.02667333      -0.01215420       0.57653162
Li       4.12574000       3.41848002       2.69309002      -1.01819790       2.52452931      -1.28047419
Li       2.55507004      10.87330002       6.98705000       1.27375907      -1.50141038       0.02555157
60
Lattice="11.50542303 0.0 0.0 0.0 11.50542303 0.0 0.0 0.0 11.50542303" Properties=species:S:1:pos:R:3:forces:R:3 energy=-444.87123642 stress="-0.015375657408918797 -0.0011087386539899758 -0.0017330850568856337 -0.0011087386539899758 -0.01804688285587546 -0.0064656523666082955 -0.0017330850568856337 -0.0064656523666082955 -0.012551430777936863" free_energy=-444.87123642 pbc="T T T" config_type=melt 
Cl       9.66879003       3.10358004       9.39521006       0.79368962      -1.12764785      -0.89697527
Cl       1.93294996      11.47489995       2.20472001      -1.16297035      -0.63155468       0.13846080
Cl       9.53060001       9.61205000       1.23639002       3.58955127      -1.73250148       1.02017843
Cl      10.63029996      11.11190005       8.52085002      -0.52941522       0.90525456       1.03852098
Cl       9.35510997       1.38062004       0.78039996       0.39891897       0.43904260       0.25917513
Cl       8.78934000       4.75103995       5.42066995       0.54627314      -0.22579261      -0.04431501
Cl       5.09721006       6.60897996       5.22910995      -0.35055133      -0.40183834       0.04442228
Cl       4.84259999       0.72819399       3.11024996      -0.39716262      -0.19948885       0.86867768
Cl       2.30365998      10.85629995       5.86753000      -0.56833005      -1.69516329       0.84528187
Cl       8.43014000       8.21693002       6.22663001      -1.68721827      -0.61887383      -0.25695995
Cl      10.87289997       8.24062003       9.34152000      -1.06604000       0.86532720       0.97357485
Cl       8.64009004       6.09995001       1.28639005       0.42228118      -0.43192127       0.72865016
Cl       4.26920998       2.09610997       6.51712998      -2.30198773      -1.21166125      -0.54505945
Cl      11.45400000       6.33284003       6.81613004       0.60954788      -0.55871278      -1.07338347
Cl       6.94480002       9.29317996       9.13100999       0.45644238       0.91502925       0.42775604
Cl       6.62580998       3.21487004       3.88939997      -0.15569793       0.71023239      -0.92347058
Cl       2.98367995       0.84517802      10.56030005       0.07742227       1.01663344       1.13983863
Cl       5.24952000       7.79381003       1.99533995       0.38725404       0.51821688       1.35944794
Cl       4.00881004       7.94404002       8.83784997      -0.24819841       0.10591919      -0.52698934
Cl       2.20496002       8.21389995       0.27011305       0.11463946      -0.97668829       0.80436227
Cl       1.14077006       3.60093002       2.21204000       0.90934525       0.21153996       0.02070714
Cl       4.48900003       4.49099001       1.17797998       0.01825011       0.01528597      -0.84020830
Cl      10.81600002       8.15908996       4.12757995       0.46377515       1.47784378      -1.08552715
Cl       6.62170001       0.26569600       0.88950600      -2.17138570      -0.03556009      -2.46265988
Cl       6.93905996       1.95318995       6.87933002       2.48490739      -0.34705712       0.70346776
Cl       9.20985999      11.36830002       5.30355004       0.76656308      -1.79183607      -1.28745200
Cl       0.45426102       5.29588996      10.56719996      -0.03134656      -0.71889553       0.75554655
Cl       4.09679005       4.70533006       8.67612998       0.09375633       1.09044409       0.18545433
Cl       7.64879004       5.65649005       9.89946997      -1.21932190       0.17571214      -0.51667955
Cl       1.03354998       2.41391001       6.65995002      -1.02049771       0.23503666       0.03102974
K        1.28395999       6.47516004       3.22888997       0.50926570      -0.21091701      -0.50722506
K        6.79997999       9.66992999       4.11469997      -0.30721871      -0.21874463      -0.01659126
K       10.09029995       3.22483005       2.83992004      -0.72073177       0.31073846       0.56108396
K        7.58014995       1.41827005       9.67117004      -0.40185162      -0.68460825      -0.02993179
K        4.04934997      11.24090001       8.37888001       1.12284899      -0.33374547      -1.30609140
K        1.86685004       9.85397004       9.70103996      -0.80483323      -0.28253966      -0.46437919
Li       9.07239999       9.50496995       7.64024002       0.38019385       0.72224349       1.48992717
Li       3.02955000       3.31957997       7.69736997      -1.81654031      -0.88632344      -0.53266967
Li      10.82399997       0.07457447      11.33509997       0.15392938      -0.21066886      -0.31011298
Li       9.05110000       1.70327997       5.89005002      -0.96827124       1.82519474       0.67957216
Li       7.13895000       1.19902006       2.54457997      -0.10636215       1.48208584       1.74325514
Li       2.34695005       1.89969998       1.36820995      -0.08055155       0.61595209      -0.20967010
Li      10.98549998      10.25939998       2.99787995       0.36078495      -0.27925732       0.21745757
Li       3.02109996       0.96850799       4.77540004       0.36079533       0.76268356      -0.59578379
Li       4.61800999       5.05162005       3.42241004       0.32031438      -0.00372454      -0.23531494
Li       0.17207695       6.45585003       8.85675004       0.17626564      -0.58935851      -0.16290919
Li       3.50419001       7.75749995       6.53670001       0.11360421      -0.13532800       0.28545109
Li      11.47333095      11.01119999       6.63579001       0.71292158       0.35141233      -1.09028136
Li       9.73799998       6.85548997       5.30972005       0.27971005      -1.06494971       0.72492827
Li       5.48395001       7.25854002       0.06736655       0.20729701      -0.23567933      -1.15304290
Li       9.86440006       7.67594997      11.45010001       0.20226678      -0.30510084      -0.30466124
Li       5.18639998       4.36496996      10.36319995       0.94700495      -0.04445879       1.17019133
Li       6.93443996       7.27955996       8.19213997       0.16991201      -0.23712083      -0.08752752
Li       4.36244003       0.16843502       0.88225103      -0.46686650      -0.39857449       0.41973546
Li       5.58131005       3.54120997       6.08705002       1.40902574       1.00901299      -0.40867328
Li       9.35121999       4.38677998      10.87159998      -0.02748401       1.52859507       1.13384801
Li       7.99829005      10.43959999       0.72919599      -1.80808249       0.24335622      -1.69941597
Li       2.56705996       5.98072001      10.57515999      -0.02290157       0.47285133       0.23280055
Li      10.06230001       3.48035998       7.37487998       0.82940785       1.03269823      -0.59511131
Li       7.49874000       5.53529998       3.24872003       0.05365298      -0.21204943       0.16626961
60
Lattice="11.50542303 0.0 0.0 0.0 11.50542303 0.0 0.0 0.0 11.50542303" Properties=species:S:1:pos:R:3:forces:R:3 energy=-447.35019618 stress="-0.00428145308759707 0.0021173256780554818 0.00048804769077803793 0.0021173256780554818 -0.013580810572017555 -0.0034097542861861244 0.00048804769077803793 -0.0034097542861861244 -0.021706362624761628" free_energy=-447.35019618 pbc="T T T" config_type=melt 
Cl       8.08866998       9.22011995      10.19410003       0.12760808       0.42414355      -0.27559340
Cl       5.66699002       3.81999995       4.74186000       0.09092229       0.36808507      -0.20988340
Cl       5.86046003       1.94162999       9.79996002      -0.49644010      -0.82360793      -0.05686454
Cl       5.72077004       6.86046998      10.89440004      -0.61406604      -0.19293380      -0.73738703
Cl       2.56392001       4.53903999       1.26906001       0.83172601       1.01197315      -0.12077631
Cl       4.49335000      10.23829996       8.18136998       0.10441108       0.03186604      -1.30699789
Cl       1.24332997       2.03460002      11.29880001      -0.00039387       0.03424523      -0.77139921
Cl       4.05396998       7.69962998       2.64530006       0.21575134      -0.07960771      -0.21670473
Cl      11.27550004       7.19876002       4.15385005      -0.78622219      -2.01123280       0.29730327
Cl       4.95023000      10.18430006      11.35280003      -0.91078732      -0.79844067       3.06377029
Cl       9.73948004       4.92564004       8.30706005      -0.32772318       0.60195234      -0.76632298
Cl       2.02806000       2.99453003       7.85072000       0.17731421      -0.14732138      -0.15534890
Cl       2.02114996       6.45461998       8.93571004      -0.20994071       0.10564986      -0.09409686
Cl       3.25421997       0.46306095       5.15580004      -0.07245445       4.10456013       1.34388514
Cl       9.86790001      10.23150002       6.60494995       0.29374658       0.52474939       2.18090213
Cl       5.63688999       6.28250000       7.38270999       0.75977446      -0.67674131       0.32030792
Cl       7.14398995       3.80019003       0.97429303      -0.73190254       0.06946975       0.76227627
Cl       7.63909995      11.29079995       2.53171001       0.24013416       0.18233188       1.81936488
Cl       2.39277995       4.87298996       4.68805996       1.07831644      -1.28641033      -1.35481099
Cl       3.49888003       8.02495996       5.93079004      -2.18837921       0.37988223      -0.29808761
Cl       4.59371997       1.63512000       1.92132005      -0.47092439      -0.30727518       2.02468785
Cl      10.81059995       4.82119001      11.20590005      -0.54160180       1.12804505      -0.68244307
Cl      10.97630002       2.33441996       2.82763996      -0.23756309       0.33462676      -0.32822383
Cl       8.61334005       2.09393004       5.50599003      -0.05966399      -0.14917419       0.58967473
Cl       6.31155005       9.01322000       5.06819004       0.63637743      -0.40026522       2.06445472
Cl       1.48079995      10.23939999       8.62846002      -3.54743108       7.53914489       3.94899195
Cl       1.18229002       9.25542998       0.27868597      -0.46493705      -0.90527795       0.19526549
Cl       8.46178003       6.81878998       1.97426996       0.48383273       1.09652474      -0.07489064
Cl       9.38171005       1.54162003       8.88107999      -0.57712640       0.36629634      -0.29141525
Cl       0.72540196       9.71728999       3.77488995       0.68845440       1.81580823      -0.24379812
K        8.56774003       5.32991000       4.29469000       0.42490462      -0.54509955       0.59728915
K        2.16337999       0.06959481       1.80954003      -0.01751521       0.21409648      -0.13529161
K        6.84770000       3.55797004       7.81487002       0.73486004       0.11489862      -0.45792299
K       10.83960006      11.42440000      10.44720001       0.47131557      -0.49316505       0.36448293
K        0.19145496       0.73560497       5.22217000      -0.30367108       0.52169645       0.27871136
K       10.51990002       7.57549003       9.84833998       0.43302656      -0.28378221      -0.09390671
Li      10.19889998       9.16196004       5.10379001       0.93440305      -1.86205560      -2.71998126
Li       7.59521999      10.82220006       0.63698601      -0.70938142      -0.76626999      -2.22836974
Li       2.96105005       0.63456205       8.19780996      -0.13411570      -0.04374268       0.11731507
Li       8.30358001      11.44086288       7.05319997      -0.59790982       1.46753468       0.33743085
Li       3.74078994       2.76378003       5.34039006      -0.33688007       0.04092036       0.22399814
Li       8.00587995       2.03136999       3.45022003      -0.03620846      -0.36199710      -0.63463208
Li       2.57353003       4.64966003      10.33310004      -0.09405135      -0.15562207      -0.00169561
Li       6.56205003       6.25321997       1.23899001      -0.14803991      -0.47999614      -0.09573636
Li       1.99428997       8.89822997       7.83019996       3.29218532      -7.53997839      -4.22488476
Li       5.18752003       6.78768000       5.23095002      -0.09671451      -0.13723844      -0.56679496
Li       3.51738006       7.77418006       0.17955099       0.36852496       0.47955118      -0.01215429
Li       7.02039996       7.31245995       8.79114002       0.17880666      -0.00765279       1.11362715
Li      11.25670006       8.39204003       1.94561996       0.13923233       0.09774499       0.40924282
Li       2.00622006       6.65513005       3.41155996       0.10380379       0.29764602      -0.08549104
Li       5.67393998      10.80830001       9.71621999       1.60227183       1.36817969      -0.96969323
Li       1.48726001       5.52416998       6.30705005      -0.74142090       0.61208526       1.98697101
Li       8.95961002       3.66930997      11.42919995       0.35082998      -0.23067114      -0.52395165
Li       0.04138604       3.61457005       9.12261000      -0.42533803      -0.29872954       0.01013806
Li       6.31669999       9.24805995       3.13297996       0.03120813       0.37474869      -2.18405780
Li       5.15626003       8.35577999       7.24053000      -0.14416694       0.91637140      -0.13348043
Li       0.45684204       3.95064000       1.05726001       0.64526625      -1.66807047       1.48290389
Li       5.10606003       2.52833006       0.25945097       0.69621123       0.75212105      -1.31845739
Li       3.31182003      10.23470003       4.61157996       0.00037041      -4.44263395      -0.90370374
Li       4.24782002       3.91556998       2.84959000      -0.11261914      -0.28195591      -0.25774466
60
Lattice="11.50542303 0.0 0.0 0.0 11.50542303 0.0 0.0 0.0 11.50542303" Properties=species:S:1:pos:R:3:forces:R:3 energy=-445.33140205 stress="-0.02050832855343585 0.000599532952565725 0.004500522349651802 0.000599532952565725 -0.012977399626277208 0.002730475531352854 0.004500522349651802 0.002730475531352854 -0.03046241568899568" free_energy=-445.33140205 pbc="T T T" config_type=melt 
Cl       9.72307998       7.85796001       2.72619998      -1.20576344       0.91425971      -0.56893497
Cl       2.95891004       8.19648005       5.60879996       1.00452149       0.36179653      -0.18276023
Cl      10.60379998       5.92545002      10.04210005       0.13833728      -0.20244362       0.40966925
Cl       9.15476996      10.09339997      11.41242032      -0.83470691       1.22841048      -1.20260667
Cl       7.01185995       7.37477999       5.26734995      -0.03544024      -0.44137452       0.13229421
Cl       3.69426006       0.78043804      10.35680006       1.53501070      -1.58114367      -0.20314933
Cl       8.06914999       8.91144004       8.58174995       1.41892429       0.91226371       1.02536315
Cl       5.75198000       9.46373003       0.88078397       0.77012682      -0.74185623       1.37672922
Cl       2.82073003      11.28780002       7.11657000      -0.17153808      -0.63890408       1.01197364
Cl       6.74140001       5.29938001       2.49987001       0.52232596       1.47261908       2.37716442
Cl       5.07482004      10.44710003       4.47124003      -0.70504538      -0.01565888      -0.27015433
Cl       1.30250996       2.16150001       5.04596997       0.77725285       0.70999286       0.46818847
Cl       8.92200995       3.17615003       4.75156000       0.10386290       0.48447616      -1.92833299
Cl       3.01966006       3.49771004       8.04238999       1.57248604      -0.31142792       0.93405303
Cl       1.42439001      10.27910003       3.36218996      -0.34865826       0.62829203      -0.69671993
Cl       6.87874002       0.02321725       7.15609999       1.06673869       0.73034747       1.40008465
Cl      10.05919998       7.75551998       6.30232995       1.98378701      -0.72472566      -0.12178449
Cl       6.20706999       3.33231003       6.55604006      -0.99316363      -0.44195175       0.52189786
Cl      11.39214800       0.98323999      10.46010001       0.67336999       0.21450445      -0.56737257
Cl       2.22396997       2.53638995       1.57612997       0.02889702      -0.49362245      -0.58404364
Cl       8.88760000       2.52401000       8.73908995       0.25998422       0.24836044       0.08534309
Cl       4.81265000       8.91987996       8.99106999      -0.46726837      -1.04488170      -0.47295879
Cl       2.43779998       9.53645005      11.17890004       0.93594385      -3.79956577       6.09619534
Cl       7.25646996       5.34014005       8.82507999      -0.60512581       0.82918807       0.30816332
Cl       5.79245999       2.41846995       3.13180997      -2.66449296      -1.61753892       0.33750766
Cl       0.72522605       5.43438005       7.30471001      -0.29102215       1.21074441      -0.51855230
Cl       5.11369997       4.03733003      11.15869997      -1.62459348      -0.33835138      -1.23555425
Cl       8.33026005      10.54440001       4.00421006      -0.17484973      -0.15519901      -0.10523372
Cl      10.47519995       2.17591999       1.76657003      -0.88006067       0.09143801       0.54571331
Cl       1.66573996       5.68608004       2.83924996       0.66329269       0.73843822      -0.80616965
K       10.85760006       5.90092000       4.04834003      -0.90340961      -1.10869494       1.15961191
K        4.99072000       6.75293006       6.96281003      -0.03408282      -0.69729709       0.50397075
K        3.37054002       7.93873004       2.80288006       0.60651383       0.55405011      -0.48706357
K       11.21820004       8.62495995       0.53599198       1.09383519      -0.85691456      -0.19114329
K       10.55970004       0.45733895       4.82481997       0.25235503      -0.04010881      -0.16717949
K        2.65916996       6.43338005       9.91259995      -0.17141025      -0.21904325       0.15330572
Li       2.58081998       2.36554995      10.67580000      -0.99595164       1.27324411       0.33878907
Li       6.69017005       4.52906997       0.76496003       0.69919908      -0.41467739      -1.75200324
Li       6.65975995       4.65501005       5.01960000       0.53826670       0.51038479      -1.01770260
Li       5.38088995       3.53147006       8.75932995       0.34267850       0.07878862       0.12127853
Li       8.72482001       0.70967693       9.92644995       0.61516576      -0.87784200       0.43337341
Li       2.57968003       3.90010001       3.22203999       0.31338748      -0.90204793       0.50909474
Li       6.77258995       0.13518699       5.14951003      -0.23050663       0.54625240      -1.39693189
Li      10.44260003       3.54741002      10.14070003       0.00743126      -0.11803446       0.37045836
Li       5.01781999      10.19449996      10.66200005      -0.81770790       1.22988906      -0.21524394
Li       8.60835003       9.96263002       1.87302005      -0.16754982      -0.02716203       0.51362941
Li       2.06565005      10.26380000       9.68025001      -1.23880443       3.83328748      -5.90958840
Li       1.29267995       7.56575000       6.42238995      -2.22753677      -0.79766873       0.65046157
Li       0.62986703       0.66779500       1.73786999      -0.20598930       0.28425243      -0.29789662
Li       2.88187997      10.73399995       5.02991001       0.06907669      -0.57974706      -0.38941156
Li       8.45971999       8.88737000       6.72769004      -0.74489747       0.67547461      -2.53169796
Li       7.37654999       8.37972002       3.40026003       0.20327034      -0.04317957      -0.16806403
Li       7.57952003       3.04511005       2.83748998       2.40502695       0.58263293      -0.16970953
Li       9.21206995       2.94384001       6.64598002      -0.36144030      -0.04120507       1.84564069
Li       1.11871002       3.41814003       7.31797001      -0.59062389      -0.88948717      -0.83926634
Li       9.16164997       6.20417005       8.08725999       0.45365936       0.57243466       0.18991448
Li       5.22377995      10.34429999       7.36398998      -0.99940560      -0.16698514      -0.53879020
Li       3.61043994       0.88383705       1.88309006       0.88926052      -0.18692567      -0.01359672
Li       6.84666002       8.07213001       9.74139006      -1.43421766      -1.45891794       1.82737818
Li       3.34014994       1.67972998       6.37868005       0.18127470       1.05876153      -0.09763018
60
Lattice="11.50542303 0.0 0.0 0.0 11.50542303 0.0 0.0 0.0 11.50542303" Properties=species:S:1:pos:R:3:forces:R:3 energy=-444.20245035 stress="-0.025212169217542487 0.004851218853835868 0.0024376896025669432 0.004851218853835868 -0.021516701793330775 -0.003599202569265203 0.0024376896025669432 -0.003599202569265203 -0.013553484496083342" free_energy=-444.20245035 pbc="T T T" config_type=melt 
Cl       9.53717996       2.15365998       2.11068999       0.01901892      -0.33911132      -0.48576734
Cl       5.27304997      10.48929996       4.91188001       0.14390992      -0.76530420      -1.14685058
Cl       9.90725005       0.57483797       9.05936998       0.44522862       0.46539822      -0.33376794
Cl       4.64888997       6.05721001       2.64648995      -0.51509906      -3.03893851       1.29343063
Cl       0.20966597       2.82781001      10.31850000      -0.97525876       1.33526317      -0.22274673
Cl       8.84542997       9.05081995       7.40894006      -0.17383938       1.70281963       1.20064347
Cl       6.03834998       2.48926995       4.43997002       1.07003689      -0.52504661      -0.33590517
Cl       1.37292004       0.42801899       4.53200005      -1.53692787      -5.28853614       0.44918048
Cl       5.93720995       7.36839000      11.16969996      -0.17652349      -0.78090038       0.58180196
Cl       6.97703004       0.36443899      10.57299996       0.70753507       0.14940874       0.05743902
Cl      11.10880003       6.47442001       7.01538003      -0.00900897      -0.39885027      -0.02631597
Cl       9.01402998       9.27378999      10.55540000       0.65357611      -0.57523906       0.68091193
Cl       3.38287004       8.92739001       0.80276397      -0.39434191       0.78453901       2.01158303
Cl       0.44038100       2.83473995       4.77292004      -0.85326331       2.77856944       0.13776684
Cl       3.56560998       4.01099998       5.32957001      -1.74066104       1.67332966      -1.15308058
Cl       2.68042001       7.82868999       5.60233000       0.75819532       0.70559285       0.12233433
Cl       8.79937998       1.52767005       6.06449997       0.44045275      -0.19152225      -0.01980255
Cl       1.19723004       5.11414006       0.91715595      -3.16125545       2.40862514       1.23530207
Cl      10.59169996       9.41993003       4.53284996       0.64344249       0.04640150       0.04756546
Cl       2.86727004       6.29293001       9.14548002       0.45635452      -0.56551808       0.49284230
Cl       0.64382598      10.96350000       1.02827003      -1.42525027      -1.61660453       0.49469787
Cl       4.38136001       2.77117997      11.31629999       0.90574053       2.03104177      -2.12709006
Cl       7.35693002       6.74851002       5.14422996      -0.13157647      -0.66739966      -0.32071680
Cl       6.86562004       5.32662002       8.84275002      -0.57730891       0.04748355      -0.96008422
Cl       9.27847005       6.45103006       1.93565994       3.30758570      -1.37252874      -0.23478534
Cl       3.37525000       2.03522995       2.21380999      -2.11734125      -1.64716311       1.06497547
Cl       1.44526004       9.69092002       8.86373004       0.98618213      -0.34797480      -0.22225086
Cl       7.51408996       8.92261997       2.12386002      -2.77105970       2.49257740      -0.32590016
Cl       4.47671005       1.48950000       7.46884005      -0.87955323      -0.17378960       1.04008028
Cl       6.17755996       9.32658999       8.39927003      -1.60141234       0.18713433      -0.42478257
K        9.27691003       4.53396000       4.16488996      -0.13669186      -0.84398714       0.70047020
K        1.49404004       3.17322996       7.64694998      -0.07901453       0.31595264      -0.24773278
K        1.98184996       1.27629002      11.41609999       1.21572285      -0.22313652      -0.72398884
K       11.05319996       7.15661002      10.97560003       0.21291237       0.40371852      -0.30325171
K        1.27316998       6.26914002       3.87385005      -0.40175277      -0.79922397      -0.26878935
K        9.05270005       3.90115000       8.84680004       1.25262041      -1.32802126      -0.48258385
Li       7.44280006       6.93789998       1.95470004      -2.66158963      -0.80012835      -0.48826569
Li       1.98177000       7.78033005       7.84600001      -0.54661297      -0.07055897      -0.73411398
Li       4.69657006       3.42422997       6.78950005       1.87783948      -0.22508562       0.83894303
Li       2.67245999       4.08744995       0.60226402       3.28514281      -2.05942553      -0.42616872
Li      11.40890001       0.44058694       2.79362003      -0.47410514       0.54348701       0.38080627
Li       2.63047003       1.77538998       4.51155998       2.32777448       3.04665504      -0.22031484
Li       7.43061006       7.35933005       9.53345001      -0.02855724       1.21451480      -0.08333738
Li       5.13289999       4.97544000      10.01070002      -0.60763735       0.37964218       0.68544765
Li       5.04355003       7.82468000       2.15053005       0.34677342       3.23830000      -1.59034483
Li       1.96422998       9.90223000       4.01445000       0.20899232      -0.54924363       0.10900111
Li       8.73066004       0.53774898       0.38616802       0.48808128      -0.10703261      -0.27736658
Li       9.41170998       7.91616998       6.10619999       1.62570934      -2.45081924      -2.46480543
Li       8.29037995      10.54709999       8.79985998      -0.53452943       0.26565244       0.51528733
Li       4.59316001       3.23401000       3.10413000       1.19743931       1.98652508       0.92084300
Li       5.07522998       0.79999197      11.00710003      -0.59540678      -0.33302496      -0.03725793
Li       9.22034005       8.93291997       3.00098998       1.71506630      -0.38842698       0.50069254
Li       3.45092002       8.34621001      10.40710005       0.48373347      -0.62026028      -1.51082044
Li       6.65435999       8.51376004       6.00309000      -0.05004969       1.54661388       0.96568631
Li       6.57599000       0.42586806       3.42672998      -0.16477623       0.13952269       0.77135478
Li       5.58649002      11.31620001       6.79942002       0.60628625      -0.27834342       0.82481514
Li      11.43819995      10.72470000       9.75917997      -1.15966101       0.05347666       0.93577509
Li      10.79100000       3.79143003       0.98455897       0.15675045      -0.35643122      -0.15481829
Li      11.00120005       0.10837602       6.40832998      -0.91767996       0.20590848      -0.22065482
Li       4.66318005       6.53676997       5.35338003      -0.14035754      -0.42057686      -0.48521529
60
Lattice="11.50542303 0.0 0.0 0.0 11.50542303 0.0 0.0 0.0 11.50542303" Properties=species:S:1:pos:R:3:forces:R:3 energy=-443.22025763 stress="-0.019018316391850327 -0.004384930231032866 0.0009152114885235506 -0.004384930231032866 -0.018806968694222007 -0.007478109762965779 0.0009152114885235506 -0.007478109762965779 -0.02332905251815294" free_energy=-443.22025763 pbc="T T T" config_type=melt 
Cl       8.83623001       8.71280006       7.13368006       0.26232063       0.60216480       0.98670966
Cl       3.91068006       8.14329002       7.44975002      -0.09091012      -0.44235845      -0.25467338
Cl       9.10743998       0.27124702       5.11468001       3.26603191      -3.29381371       3.94518661
Cl       7.08742998       7.04364000       2.47228001       1.83328290       1.41373963      -0.83803719
Cl       6.56593000       8.69929005      11.02780001      -0.42846436       0.31651102      -0.23596737
Cl       2.85710005       0.51974598       7.35167998      -0.30416114      -1.73599950      -0.61807039
Cl       7.61884005       2.53601004       9.72525002      -1.11964904       0.91781884       2.86498380
Cl       0.75026196      10.03149999       5.91402997       0.08399924       0.11854783      -0.32935703
Cl       2.96319996       7.75956000       0.27672797       2.01392450       1.20709448      -0.45487196
Cl       1.77350999       6.57402004       3.47827002      -1.49548116       2.15030698       0.11127894
Cl       5.16490003       0.92072804       0.50214498       0.62629966       1.35373534       0.86066078
Cl       3.34053998       5.06874000      10.18830003      -0.73030793      -0.76732557      -0.66227852
Cl      10.41630001       2.63232999       7.08560005       0.96471607      -0.67523335       2.29548389
Cl       9.34663002      10.94189995      10.94109998      -0.34800787       0.39872798      -1.53222261
Cl       8.67761003       6.14187002       5.64437001      -0.19324725      -0.77962458      -0.93325843
Cl       6.28444005       5.73875003       9.53641001       1.26627415      -0.24495957      -0.39716618
Cl       0.13668201       6.94160001       9.33628998      -1.45666132      -0.92099026       0.45453744
Cl       8.91384996       4.18952998       0.79945098      -1.85739063      -0.49077555       1.64511871
Cl       4.01745004       3.17956001       7.74311001       0.20389144       0.43862184      -0.55478708
Cl       7.40572003       3.12222998       4.72524997      -0.20126166       0.47884491      -0.33831015
Cl      11.04469999       8.49567996       1.13498996      -1.49102874       0.76993617       0.68591097
Cl       4.54266006       6.06532997       3.69036996       1.55596070      -1.62502304       0.53410583
Cl       7.98920997       0.14746604       2.38862995      -0.33004619      -0.92960666      -2.22319626
Cl       0.30852896       3.04073995       4.29533005       1.52000397      -0.98254577      -1.78260133
Cl       0.42335895       4.92936998       1.16620003      -0.53847017       0.25512996      -0.75720337
Cl       4.79177996       9.42506996       3.43051998       0.16508857       0.87784839       0.48358189
Cl       2.07694999      11.40709999       2.22155003       0.61746328      -0.43495557      -0.09312062
Cl       1.08631995       2.18436002       9.98803998       0.73450672      -1.21336131       0.42753461
Cl       0.99801100       5.46951001       6.70401004      -0.22137912      -0.48347625      -1.25500831
Cl       3.27716005       2.89712995       3.82499998       0.94790021      -0.59031884      -0.25169125
K       10.74749995       8.08965001       4.24015004       0.09474640      -0.00302929      -0.17882151
K        7.88569004       1.65853998       7.50310999      -0.30468254      -1.65198808      -3.03285232
K        1.52387004       9.12113005       9.02673001       0.83278856       1.05254931      -0.13506899
K        2.73667003       3.37279002       0.57706496       0.07920212      -1.10769609       1.04313253
K       10.34550001       3.44454003      10.33229995       0.19792113       0.28972382      -1.42831048
K        5.82633000       5.04362999       6.58402999       0.05672668       0.57280378      -0.32063196
Li       4.44920001       6.76977998      10.17280004       0.58772305       1.44599105       0.06619270
Li       4.41275003      11.03179999      10.80669995      -0.45014697      -1.45016131      -0.84297031
Li       7.10930996      10.53299998       0.69747002       0.28419064      -0.04680729      -0.46017257
Li      10.26190000       6.73793999       7.03137004       0.64689446      -0.03730453       0.60402021
Li       7.55595002       8.66531005       5.31442002      -0.19674089      -0.25608884      -0.09486599
Li       4.90510999       7.53870995       2.12230000      -0.23064131       0.24900992      -0.59970614
Li       1.96819003       5.82855998       8.50812997       0.36843845       0.10064723       0.60317987
Li       8.15548001       1.21565000       3.98422997      -2.40215521       3.49535663      -1.63391917
Li       1.11991003       7.25332001       0.82693295      -0.49498569      -1.38800374       0.42051517
Li       2.00626999       2.18368005       8.13507998       0.07817587       0.85600756       0.50448188
Li       7.07983997       5.17558995       3.20830999      -0.26476568      -1.31354876       0.98872633
Li       0.84063798       0.62327097       3.69151003      -0.74271597       0.74215073       1.05226434
Li       9.50650006       6.01765000       1.34616004       0.67255497       1.72771525       0.38025784
Li       7.34039995       2.78942999       0.48157099      -0.30999492      -0.76979440      -0.19585721
Li      11.37420000       0.02409443       7.78009005      -0.04531330       0.40984953      -0.69005288
Li       8.16439004       7.36749004       9.42922998      -0.61911706       0.46311809       0.04805162
Li       3.25374997       7.22973999       4.83814003       0.02451360       0.35166983       1.18424943
Li       5.36360996       3.23324995       9.49177001       0.09156546       0.65772985       0.17196518
Li       2.11518999       2.99001001       5.82051999       0.25535889       0.44652518      -0.31504540
Li      10.08840006      10.83999999       1.30935005       0.30258888      -0.43683247       0.76167115
Li       4.35681998       0.69729502       3.35032005      -0.19280637       0.32236992      -0.66125259
Li       3.03755997      10.13180001       4.50322004      -0.90703815      -0.08210081       0.44238704
Li       1.37734997       4.66692001       3.05503003       0.01443016      -1.37533931       0.43563131
Li      10.19569998       3.35522999       5.24556996      -2.68191255       1.04681702       0.09952923
60
Lattice="11.50542303 0.0 0.0 0.0 11.50542303 0.0 0.0 0.0 11.50542303" Properties=species:S:1:pos:R:3:forces:R:3 energy=-449.21671792 stress="-0.009840468894201955 -0.0003718011187197072 -0.0016594303995476204 -0.0003718011187197072 -0.01608953995791573 0.0036674178824717 -0.0016594303995476204 0.0036674178824717 -0.014473931481050358" free_energy=-449.21671792 pbc="T T T" config_type=melt 
Cl       2.44709004       1.91989004      10.39269997      -0.46803331      -0.33770695      -0.13265519
Cl       0.60933296       1.48860005       7.70529996      -0.71462622      -1.14849557      -0.79830643
Cl       9.14092997      10.54079996       7.27279006      -2.21645408       3.26149581      -0.03724158
Cl       4.40447003       9.67696003       7.22291002       0.04450766       0.10180278      -0.27808251
Cl       3.03011998       5.47125999       7.99049996      -0.72133011       0.02526350       0.06624155
Cl       8.97316997       2.31046003       4.54005005       0.00572681       0.82443879      -1.23188372
Cl       7.90299005       6.95900001       2.79471995       0.06782939       0.86107499      -0.09861292
Cl       2.49015000       3.55594002       4.85058004      -0.02931175      -0.75068927       0.47697267
Cl       5.56146998      10.45930003       2.50027006       0.09601514      -0.05568097      -0.07868570
Cl       1.50475999       6.05568002       3.63664999       0.11953747       1.79325997       0.82736174
Cl       0.99422100       1.76659995       2.13621995      -0.32952053      -0.61763696       0.65235088
Cl       4.89245000       6.79445002       0.27576002      -0.80918224       0.72213499       0.30741508
Cl       9.15321005       4.32291004       1.60321995       1.01258295      -0.89081753      -0.48741932
Cl       2.40863995       4.70713997       0.96082605      -0.80754650       0.48978638      -0.78099443
Cl       6.89146996       4.89228996       6.15607002      -1.11945468      -0.48609058      -1.29265922
Cl      11.38940004       4.63117001       9.54019001       0.17174148      -0.32325746       0.25618648
Cl       5.40257998       3.07758998       2.27119996       0.04425972       0.01062370      -0.07263397
Cl       7.80176005       6.37038004       8.85985996      -0.12754302       1.03601810       0.39513815
Cl       1.08191004       8.81664996       6.86537003       0.12837475      -0.28994037       0.34497584
Cl       2.26086004       9.67196001      10.83879997       0.22380680      -0.02697656       0.06689370
Cl       2.51967004      10.84090006       4.67972002       0.09778052       1.52556636       0.08900021
Cl       8.42558995       2.40237996       8.68174002      -0.21435187      -0.22872213      -0.43661067
Cl       5.07333999       3.40748003      10.01600000       2.34544468       1.12061937      -0.99763343
Cl       9.74798002       9.58784996      10.72180006       0.37052747      -0.37940641       0.08109708
Cl       9.77742999       7.07811002       6.33602001       0.61240434      -0.61197926      -0.67819027
Cl      10.38099999       1.15085997      11.11830006       0.36804395      -2.06841566      -0.36397775
Cl       4.95999995       6.66393998       4.26526995      -1.69693260       0.34611531      -1.03291996
Cl       5.25031997      11.49212380      10.12819996       0.99582875       0.12880834      -0.24997439
Cl       4.59294002       2.33284003       7.04498004      -1.41836109      -0.26865267      -1.60776743
Cl       1.31433995       8.97800006       2.49693003      -0.80889372      -1.68633583      -0.96589095
K        6.32213998       1.14999004       4.60164997      -0.63556212      -0.18598236      -0.16483447
K        1.67639996       7.10640001       9.71917999      -0.83837784      -0.12419567       0.29935516
K       11.21570003       4.18423000       3.64895999      -0.72797110      -0.98401972       0.48659511
K       10.49940000       7.01496998       1.09899996       0.02712737       0.39266431      -0.01436912
K        7.27492995       5.40438000      11.28440006      -0.40091708      -0.89328553       0.21801902
K        6.78110005       8.91596006      10.77740001      -0.01404350       0.11232464      -0.16838662
Li      10.71350005       2.09280999       9.40740005       0.09711070       1.51122182      -1.70282406
Li       1.14017005       2.87660002       0.27104499      -0.00819133       0.50197563      -0.55079994
Li       7.71001005       4.79546998       3.16387996      -0.88479959      -0.37083492       0.72414657
Li       4.42271004       4.53252999       6.74832996       1.16168892      -0.18455170      -0.89385744
Li      10.28120000       9.06795003       7.22154997       1.87160321      -2.64050835      -0.02162580
Li       0.95586905       6.37931998       6.24352999      -0.12391998       0.34558773      -0.06025006
Li       8.58575005       5.30727998       7.18214999       1.00745210       0.16281756       0.69434221
Li       3.39999000       4.46557004      10.45730005      -0.60997407       0.42084689      -0.14465848
Li       2.75110001       6.98802002       2.09251004       0.58364094       0.14247249      -0.39681298
Li       1.93839996       3.10659998       7.80313000       0.90231737       0.71467479       0.30063532
Li       4.54795002       2.10200006      11.43677052      -0.07518678      -1.40614059       1.09949637
Li       0.48247405      10.84680004      10.88189998      -0.98236461       0.22018497      -0.31617128
Li       5.90560996       8.30363005       2.54232997      -0.14446730      -0.53716728       0.19158526
Li       1.60854006      10.92610001       2.19405000       0.67514802       1.43273832       0.09322036
Li       6.64532996       7.15103001       5.32724995       1.02180580      -0.14793316       0.69414318
Li       2.10478000       1.44256996       4.19991995       0.16134573       0.25820667       0.18902894
Li       9.57333000       1.22306996       6.09305999       0.55743782      -1.04526919       1.83292344
Li      10.07539996       2.26982000       1.11882001      -0.73325640       1.33843902       2.27677406
Li       2.12640996      11.05170000       7.24027999       0.35631065      -0.12621099      -0.46318254
Li       8.09467995       0.25576095       9.27768998       0.24941573      -0.42295845       0.10346461
Li       3.41281003       4.13397995       2.75262000       0.66975136      -0.13074759       0.88246677
Li       5.93153996       1.77628004       8.37026003       0.91722129      -0.23361266       1.82920206
Li       3.50888997       9.23249001       9.05568997       0.54560880       0.47316614       0.29937066
Li       2.21766994       8.75264000       4.44303000       0.15117571      -0.67010698       0.74151015
60
Lattice="11.50542303 0.0 0.0 0.0 11.50542303 0.0 0.0 0.0 11.50542303" Properties=species:S:1:pos:R:3:forces:R:3 energy=-443.51936056 stress="-0.018763084343965484 -0.0015640649523076602 -0.0004810764868202476 -0.0015640649523076602 -0.02229605807889217 -0.0015403592262928619 -0.0004810764868202476 -0.0015403592262928619 -0.025018676885938496" free_energy=-443.51936056 pbc="T T T" config_type=melt 
Cl       1.25866003       4.89392005       3.76127995       0.80704879       0.20086209       0.60252721
Cl       2.13876000       2.74891997       1.04548997      -1.08819860      -0.35430324      -0.19854280
Cl       1.25888001      11.37670001       4.93439003       1.12439306       1.09772604      -0.39616302
Cl       1.85559002      10.46960003      10.70020001      -1.62995041       0.98301817       2.90308052
Cl       8.21215999       7.55413999       9.83464001      -0.58721020       0.77822067      -1.08122577
Cl      10.86240001       9.24304002       8.71259998       1.05837615       1.23279924       1.35838253
Cl       8.96817995       0.30515201      10.46710002      -0.62783648      -0.07220927      -0.37579343
Cl      10.69339996       5.80261997       7.71418997       0.54365589      -2.08979661       0.25556368
Cl       2.92674997       7.63593998       1.78962000      -0.57526149      -0.78226247       0.58505670
Cl       8.81610000       4.09165001      10.84730006       0.44210606      -0.66992357      -0.25565295
Cl       9.98788995       3.74404000       3.99662004      -0.39117563       0.69153999       0.92733986
Cl       5.47642995      10.13430002      11.41060005      -0.22898741      -0.11346168      -0.48795757
Cl       0.29246302       2.03306002       7.26345996       1.53147373      -1.26562166       1.64411693
Cl      10.20089997       1.84433001       1.57588997       0.11287753       2.59639608       0.03033133
Cl       3.89944996      11.28479999       6.60696996       1.66634940      -1.85740785       1.43654539
Cl       3.90615003       2.88795000       5.09407000      -0.76050136      -0.85521728      -1.49515107
Cl       5.75289997       2.23710997       1.64151000       0.28326556       0.31407840       0.36061991
Cl       0.33139898       8.60127006       2.79731005      -0.30329225       0.85514656      -0.62381597
Cl       7.47878004       9.83683997       6.82097002       1.98668139      -0.65004907       1.17942302
Cl      11.06580001       7.92010000       5.30588000      -2.44523351      -2.49076184       1.82494859
Cl       8.06954003       9.08721000       2.20740998       0.46436540      -1.73049102      -4.57130857
Cl       5.91814005       2.99195005       9.61104006       0.44175018      -1.11323919       1.02225132
Cl       8.26929005       2.03518001       6.58511000      -0.01653296       0.07711060      -0.40850537
Cl       5.19816002       4.27334997       7.15711005       1.95558891       1.73713091       0.36013280
Cl      10.83600001       5.85668004       0.99617703       0.38566845       0.67256479       0.08658845
Cl       5.85423997       6.65480997       1.22150004       0.68654828      -0.51867624      -0.33831630
Cl       5.84653997       9.12303995       4.17653000      -1.20045452       0.70513173       1.10899502
Cl       3.11476998       7.50752002       8.63807004      -0.02102680       0.41735048       0.02700217
Cl       3.38948002       4.72562999      10.23179997      -1.82452333      -0.41599511       0.61522090
Cl      10.02759999      11.11249995       4.16395998      -1.62373961       0.95391243       0.34130965
K        3.97021004       4.65335005       2.23256003       0.31137709       0.29468171      -0.06069144
K        3.63897995       0.70906001       2.49564004      -0.18443607      -1.18560122       0.50563011
K        0.11440901       1.25423999      10.54420005       0.37008630      -0.23984719      -0.70818435
K        7.60158997       6.68903998       7.21088996      -0.45585292      -0.30624040      -0.35969655
K       10.36769995      10.87939996       1.65536000       0.43668644      -2.70960395      -1.80639149
K       10.22789998      11.15489996       6.78874000      -0.21838828       0.10779987       1.00643662
Li       8.40296995       9.74435006       3.86011004      -0.02876068       1.09698932       3.93734744
Li       0.54457698       2.85752000       3.18848005      -0.22913442      -0.28848585      -0.35846375
Li       1.77702996       6.98379995       3.58112999      -0.02152978       0.65948490      -0.30113988
Li      10.18460001       7.77438002       7.62524995      -0.20967094      -0.07186369      -0.90091526
Li      10.65100006       5.99849002       3.68168003       0.16429474       0.23177842      -0.22597005
Li       1.60591003       5.95936997       9.44440000       0.07180015       0.35067711      -0.30289983
Li       3.71472004       2.37055999      10.87109995       1.03617626       0.44005319      -0.30793911
Li       0.42442401       8.02174995       0.78798905       0.49737907      -0.45246958      -0.47447392
Li       5.73770004      10.40390004       6.10764001      -1.01603666      -0.19111374      -0.84771260
Li      11.24460004       3.78092995       0.10617895      -0.78580268       0.48413861       0.60076316
Li       5.23361996       5.29436998       9.45766000       0.82727131      -0.32923689      -0.33548636
Li       8.72392005       6.67908998       0.05223370       0.03762508      -1.13018716       1.34536958
Li       6.26235999       2.37761005       5.59404000      -0.63509538       0.41708703       0.61922671
Li       3.93230001       8.31806004       0.18967001       1.43341513       0.61665061      -0.94675421
Li       9.12258998       1.79181006       3.92392004       0.05567188      -0.75384800       0.14004510
Li       0.83499894       9.33935997       5.17285004       1.43262430       1.35051897      -0.45360556
Li       7.74399995       2.27925997       0.77430703       0.44491600       0.26611756      -0.93219826
Li      11.04549996       3.52777003       6.32717004      -1.41646585       2.27215581      -1.04851493
Li       6.63239004       7.61735999       3.04949995       0.01331668      -0.41631998      -0.98092055
Li       7.66976995       9.80813002      10.10379995      -0.39217431       0.12119463       0.17002734
Li       2.71853000       1.20775003       6.22618004      -1.93285982       1.76805556      -0.69079947
Li       8.40702998       2.06569999       8.94545996      -0.77332573       0.40063998       0.44542693
Li       3.32665995       4.58565997       6.52727005      -0.93300408       0.13020037      -0.42153496
Li       2.89138000       9.87827997       9.26872001       1.93367292      -1.26697807      -2.74298361
60
Lattice="11.50542303 0.0 0.0 0.0 11.50542303 0.0 0.0 0.0 11.50542303" Properties=species:S:1:pos:R:3:forces:R:3 energy=-444.74046019 stress="-0.02924079238942294 0.0038564065096112032 -0.0011807218726331324 0.0038564065096112032 -0.015773870696840466 0.0051936038648754705 -0.0011807218726331324 0.0051936038648754705 -0.009735362186356029" free_energy=-444.74046019 pbc="T T T" config_type=melt 
Cl       3.65954003       4.47292995       9.36965996      -0.68647408      -1.67081629      -1.21850063
Cl       2.76219999       1.57030995       1.43163003       0.68153896       0.54470861      -0.79462206
Cl       9.88166003       1.07691001       6.05901004      -2.17479562      -0.24831328       0.16676008
Cl       9.36443995       5.30877994       9.83445006       1.21834304       0.33224014      -1.06536375
Cl       4.80155002       4.84412998       0.57494900      -0.50745997      -0.47513422       3.18804763
Cl       2.24311004       6.30941004       5.07409002       0.04355683       0.38144784      -0.51374811
Cl       6.11322002       7.25610006       4.15117999      -0.31315238      -0.48716926      -0.20162771
Cl       7.38374997       9.98256006       0.07647701       1.19430165       0.02417240      -0.71369504
Cl       1.54879999      11.27259998       4.02185006      -5.02942536      -2.87581542       2.16930579
Cl       8.83796997       9.66684999       3.95968004      -0.69490476       0.92991276      -0.06898552
Cl      10.39539995       8.53937997       7.97113000      -0.48332918      -0.08988739       0.00626441
Cl       3.91271997       9.21727995       6.81081005      -2.06832865       3.00602395       1.22852846
Cl       8.90834002       1.55639000       9.66083000      -1.34434176      -1.26774490      -0.51984976
Cl      10.41120000       1.46774003       2.11640002       0.10896631      -1.06946734       0.09593803
Cl      11.18525898       5.18692003       1.44527005       1.27839193      -0.61480477       0.17960908
Cl       0.51401697       8.78392003       1.15706001      -1.69108909       1.43085333      -0.72731314
Cl       6.90716002       2.40377005       2.72966000       0.00435744       0.57517291      -0.41742384
Cl       9.46761000       6.64756006       4.75979995       1.20303827      -1.52715275       1.50459190
Cl       8.35983002       5.99011004       1.19011003      -1.44597063       0.05413790       1.21201055
Cl       3.53342000       1.93418000       6.06531996      -0.66105167       0.34632531       0.37234630
Cl       0.58233399       3.02253998       9.01389997       0.07917224       1.12489140      -0.72601633
Cl       4.57186002      10.90220003       3.99380996       1.21127321       0.04871654      -0.46523630
Cl       0.78966804       3.23519000       5.20690000      -0.33259196      -2.57386079       1.41401303
Cl       3.61461998       7.89924999      11.33509997       0.38509148       1.17469256       1.07690886
Cl       5.31247997       7.38646996       8.27590003       1.14671990      -1.21029893       1.55913547
Cl       6.26042996       1.22870002       6.47342997       2.23435725      -0.22215941      -0.43420031
Cl       1.55157004       6.68906000       8.77408001      -0.67720639      -2.33484092       1.16354895
Cl       1.40802999       0.13907698       9.08331000       0.52740964      -0.71132764      -0.98179911
Cl       5.37851006      11.35756201       9.37352003      -1.37121347       0.66207061      -0.85072914
Cl       6.62068005       4.00563995      10.08230000       0.73237417      -1.53185871      -1.71715636
K        4.73520999       4.19309999       4.28386996      -0.16492276       0.44922437      -0.21685210
K        0.05317703       8.87937995       4.44559996      -0.13407788      -0.29657943       0.05139361
K        8.07130001       9.88997995       7.36248001      -0.72213547       0.35680786      -0.32199607
K        5.52139004       9.23518999       1.82389005      -0.61611897      -0.47539206       0.47600535
K        0.31042402      11.45749995       0.09840485      -0.09719608      -0.34932286       0.67779443
K        7.80322998       3.58125000       7.06940996       0.49769512       0.21033755       0.44868923
Li       9.78531005       3.35209004       2.21624994      -0.15810166       1.83632990       0.05036694
Li       5.14203001       2.67846996       1.24124001      -0.94963368      -0.11791256      -0.19269840
Li       4.54064995      11.42209995       6.14228997      -0.58155859      -0.72440884       0.00280050
Li       4.56667003       8.12959005       5.37215998       0.39788276      -1.25702243      -1.40094813
Li       0.05247692       1.27550995       7.13043001       1.48450907       0.12611335       1.17750548
Li       2.46251996       2.03259003       9.65487997       0.38996792       0.22197231       0.55920470
Li      11.03379998       0.93018296       4.35479997       0.83483518       0.01801583      -1.36516007
Li       4.20887002       9.54033003       9.25037001      -0.21972758      -1.02358332      -0.17311506
Li       9.09663996       7.48105996      11.42849996       0.35612428       0.50794087      -0.51690562
Li       9.83539005       6.27501998       7.70345001       0.16283070       0.43196402       0.10761767
Li       7.27203001       0.69450001       4.13585004      -0.00615307      -0.76821180       0.21179237
Li       0.89356695       8.08961998       7.74189998       0.06327339       2.19478165      -1.57953627
Li       0.25357205       5.00640995      10.31440005       0.07047057       0.70006232       0.11659792
Li       2.26834995       3.36382005       7.02805004      -0.34728608       0.93497326       0.31553757
Li       5.56661003       5.96546002      10.47480003       0.27021779       0.47577174      -0.88152661
Li       8.19880000       7.42544999       3.32120995      -0.32786325       0.38411104      -0.57364139
Li       7.25584004       4.11085003       0.60533298      -0.15350305       0.51995678       0.34117797
Li       0.64667795       4.87032001       4.28955997      -0.36499626       2.72922429      -1.56534038
Li       5.19045001       1.95201997       8.23398002      -0.28622355       0.26790404       0.42264889
Li      10.48609996       2.54674000      10.26149995       0.24802672       0.84848916       0.87335813
Li       6.99695997       0.40976196      10.40039998       1.67007054       0.13899172       0.99199077
Li       2.86847995       0.76097397       3.43886003       3.91591162       2.77715372      -1.48274229
Li       1.57323003       7.47560996       2.03694000       1.49724176      -2.07257151       0.50159569
Li       3.34735004       6.72272004       9.73068000       0.70288314      -0.76983517      -0.97635626
60
Lattice="11.50542303 0.0 0.0 0.0 11.50542303 0.0 0.0 0.0 11.50542303" Properties=species:S:1:pos:R:3:forces:R:3 energy=-444.26868492 stress="-0.02523814064881904 0.0054917389230199915 0.0009567624505933623 0.0054917389230199915 -0.018622294335503515 -0.005085515644293691 0.0009567624505933623 -0.005085515644293691 -0.009190782288813686" free_energy=-444.26868492 pbc="T T T" config_type=melt 
Cl       0.02997692       6.54565998       3.56710995      -0.34166964      -0.34419193       0.35883351
Cl       4.45835004       8.67363997       5.67155997       0.69172191       0.47426029      -0.22469411
Cl       5.68203002       3.05436996       6.12130005       2.10974035       0.96000983       3.70354589
Cl       8.78136996       3.83825998       6.81631999      -1.13978759      -1.25221390       0.64880039
Cl       6.45935999       7.17501996       8.92547999      -0.54445919       0.09683322      -0.89204766
Cl       7.10670997       9.77252005      11.12490003      -0.69752777      -0.62638321       0.59927313
Cl      10.08550000       7.42879002       8.16856996       4.13686868      -3.21936080       0.02899518
Cl       3.85539006       5.48593999       4.85863004      -0.72474285      -0.70956908      -0.24559378
Cl       6.57057002       6.43658995       1.26812002       2.99118527      -1.02233797       0.27348806
Cl       0.46110399       4.10705001       7.00214995      -3.14429677       2.62449966       1.01629078
Cl       1.14105999       8.76889003      10.13540006       0.61933438       1.07677975       1.04157860
Cl       1.66678005       2.68827005       3.31445005      -0.19620083       0.11108352       1.12608034
Cl       1.55219996       8.04020005       5.98092998      -1.22485756       0.82185562       1.25750480
Cl       2.36159001       6.15929004      10.27670000       0.37128577      -1.88059403      -1.65696183
Cl       7.69435002       7.68654003       5.84899005       0.33019367       0.20506125      -0.22006272
Cl       8.53237995       1.91276001       1.24777003       1.27937517      -0.29808094       0.56601217
Cl      10.59440005      10.68220000       7.19569003       0.31647478      -0.66732242      -1.33325205
Cl       3.22661006      11.23589998       7.88235002      -1.78242656      -1.43734984      -0.39166506
Cl       9.97287997       9.70480005       2.93880996      -0.16132912       0.37265787       0.22466078
Cl       9.67767003      11.27259998       9.96663000       1.91203551      -0.51488522       0.54263138
Cl       2.47765005      10.05330000       2.18925005      -0.91849701       0.56762084       1.32022382
Cl       6.72148999       0.33128301       7.02300997       0.08921187      -1.93407872      -0.03907336
Cl       3.88795006       3.60559996       8.82065005      -0.45365084      -0.45160426      -0.21173177
Cl       3.61465001       0.46665202      11.34700003      -0.11279814       0.01600199      -0.10224013
Cl       6.43219004       1.52843999       9.90122006      -0.58946495       1.61625954      -0.65219493
Cl       4.11246999       4.15098002       1.22704002      -0.75090352      -2.37035747      -0.73954024
Cl       4.15227001       7.60423000       1.36487004      -3.24615746       3.41854671      -0.95120302
Cl      10.15350004       6.73081997       0.20253802       0.02865395      -0.32688437       0.02325567
Cl       0.66596495       1.75703998      11.41516080      -0.34925096       1.06500029       1.87508303
Cl       5.42835995       0.62501404       3.82150003      -0.45295431       1.43270413       1.18217603
K        0.49972896       0.99535497       8.98249005       0.20760277      -0.25147344      -1.43017868
K        5.82956003       1.68098004       1.28806996      -0.63358451       0.33382629      -0.49433260
K       10.57390003       3.99110998       1.90360998       0.28452241       0.16899117      -0.20097164
K        7.02076998       4.46132995       9.88796995       0.04610159      -0.20814795       0.47846459
K        5.60379004       9.88750996       2.59061996       0.29512008      -1.60337139      -0.80980522
K        8.43025000       0.71265004       4.69288004       0.10147711      -0.09411281      -0.09774589
Li       2.13162997       9.27008996       8.34699998       0.28534305      -0.02257749      -0.99559422
Li       7.79515996       0.09187276      10.33619995      -0.82036857      -0.01297293       0.42256902
Li       4.13531999       5.74357000       8.09628001      -0.14136124       0.04755358       0.25775853
Li       0.37661495       5.50405999       8.58880002       0.26480958       1.07439469       1.18253275
Li       4.49708006       1.20903001       7.70847995       2.07559509       1.67242730       0.20239665
Li      10.52290006       8.33616003       5.52968004       0.30232346       0.40600484      -0.07109990
Li       1.69539001       1.17822999       1.82538000       0.86646541      -0.79804368      -0.47170198
Li       1.73997997       2.98859001       6.49778004       3.81107251      -2.72473378      -1.81849177
Li      10.88610003       9.32421998       9.21930997      -1.10595725       0.69061932      -0.23214879
Li       8.57621999       8.39176999       8.05725005      -3.85133445       2.13147354      -0.43189821
Li       1.78669003       7.19203004       0.44499295      -0.38771321       0.52846290       0.89479281
Li       2.85995995       3.10197998      11.10659997       0.19988424      -0.13256810      -0.12059102
Li       6.99736001       7.56138001      10.98159999       0.27731634       0.53303758       0.57399991
Li       9.81465003       7.37434003       2.36291003       0.01582526       0.44830164      -0.44045753
Li       4.65728997       2.92046997       4.68294004      -2.72660895      -0.42927804      -4.38824517
Li       4.65772004       5.88194998       1.85990997       0.89127232      -1.11899485       1.41923475
Li       7.22119997       2.37489005       7.51911000       0.12241568      -0.22350706       0.48020528
Li       2.59481000       7.40949002       4.23743004       0.17189877      -0.38496095      -0.63478802
Li       9.99814001       5.25371004       6.23425995       0.99839383       1.35870028      -0.54637470
Li      10.37409996       0.02246376       1.45673003      -0.54080530      -0.07303907      -0.63126967
Li       6.16784996       9.19619005       7.30055000      -0.31331910       0.25454651      -0.43289225
Li       3.25525005       9.68453003       0.12129305       0.00582911       0.23186206      -0.05023365
Li       5.54880999       6.66871002       5.03648996       1.00186775       0.78367020       0.25480533
Li       2.52562996      10.27609999       5.17663004       0.25080997      -0.39005070       0.00388836
60
Lattice="11.50542303 0.0 0.0 0.0 11.50542303 0.0 0.0 0.0 11.50542303" Properties=species:S:1:pos:R:3:forces:R:3 energy=-446.12893676 stress="-0.023094800654077804 0.005190916720434522 -0.002762999492396538 0.005190916720434522 -0.02375540872079114 -0.0022970155925520794 -0.002762999492396538 -0.0022970155925520794 -0.008399880403497647" free_energy=-446.12893676 pbc="T T T" config_type=melt 
Cl       8.56751004       7.63823002       8.37508000       0.00954101      -0.59748991      -0.02262984
Cl       4.21313002       6.76811998       0.66993305       0.28632535      -0.38791123      -0.65785417
Cl       7.80740001       6.47415999       0.65685196       2.27961940      -1.29318913       0.48788655
Cl       5.52848002       9.01354998       9.59803996      -0.27361953       0.17734353      -0.04458627
Cl       0.79742396       4.84195005      11.00609998      -0.43639671       0.93801555      -0.23357467
Cl       5.66834996       6.86390999       4.97526995      -0.30391916       0.86162541      -2.18612608
Cl       9.41903997      11.20449996       9.92290996       0.78393019      -0.67242314       0.33898561
Cl       1.77331003       3.11946005       8.29307003      -0.31464125       1.43994487       0.08373149
Cl       1.38132003       0.07013763       9.36548004       0.47155094       1.76299709      -1.65898196
Cl       6.18788999       4.28699000       3.04723004       0.41516403      -0.46273036       1.39632460
Cl       0.47123601       2.15812995       1.09744995       1.72750560      -1.27762704       0.12535065
Cl       3.26723996       6.78598997       7.15469000      -0.33247521       2.13767554       1.78769664
Cl       3.21972004       9.24662005       3.30034003       0.55380549       0.46822438       0.39265381
Cl       4.35773006       1.57233997       1.84740000      -0.42233020      -0.13537994       0.33120614
Cl      10.05000002       2.49337002       8.82762004       0.83891694       1.49802388      -2.38820181
Cl      11.41879997       7.60589000       6.12447003       0.28075211      -1.45346850       0.50233351
Cl       5.52475998       1.48847004       7.11367995       0.07899047       2.74025016      -0.92912968
Cl       1.27647997       8.06067004      10.02350004      -0.43038155      -0.08673408      -0.58471358
Cl       9.00477997       6.89551999       4.65103999      -1.71527189      -0.42410380      -0.61278968
Cl       1.36638001       5.72858004       2.95984003      -0.16200099      -0.34195892       0.05244547
Cl       7.22419000      10.48770002       6.41487001       0.86465148      -0.75106388      -0.62760232
Cl       6.68877996       0.79173096      10.65100006      -0.70295359       0.65066856       0.69828999
Cl       0.52418098       9.48132999       1.30738998      -0.16292573      -0.25230357       0.16535708
Cl       0.35599401      10.51400004       5.44954005      -0.53255462       3.37653281      -0.18701056
Cl       5.20922996       3.82776001       8.80670997      -0.65351089       1.95255393       0.86787660
Cl       9.75551998       3.21665004       3.75626002      -0.21530031       0.37776539      -0.08936023
Cl       7.36679995       9.66392002       1.46705005       1.94519425      -0.46193760       1.20957002
Cl       3.24590995      10.57060005       6.56642002       0.59383532      -0.16031955       0.13242640
Cl       2.08480003       2.00851999       4.63573997      -0.52930209       0.48792834      -0.35179133
Cl       8.43408004       3.54732004       0.32917199      -0.03865264      -0.84087442      -0.53090035
K        7.11793005       1.06981002       3.91075001      -0.34600454       0.09325094       0.05784669
K        6.75893002       5.47312997       6.69085002       1.16485637      -1.41395012       2.09536757
K        3.09328004       4.62744996       5.94298003       0.24046235      -1.86953757      -1.30088898
K        3.17348998       3.01082999      11.16589995      -0.07333821       0.05213044      -1.26695023
K        5.14350006      10.40720003       0.67075696      -2.46573803       0.60665521      -0.29527137
K       10.17769997       9.37033004       3.90128001      -0.81026631      -0.54216538      -1.68349168
Li       3.39390995       7.93899996       9.71070003       1.00019810      -0.39049617      -0.38021691
Li       6.47546999       2.32325003       9.29268995      -0.25197108      -0.13907019      -0.99957867
Li       7.40670996      10.60930003       9.57142999      -0.11573963      -1.24233890      -0.41745358
Li      10.69420004       5.82820999       4.19116996       1.38634861      -0.54906758       0.04571983
Li       8.83297006       5.31671006      10.51670001      -0.33449793       0.37443167      -0.22170346
Li       8.28144000       8.37317999       6.19749000      -0.25059049       0.11809951       0.87367604
Li       5.05275000       3.59719996       1.59989995       0.14170760       0.03525792      -0.79096651
Li       2.74697003       7.53706997       1.98038003      -0.66195558       0.23057596       0.55265435
Li       0.89416995       5.60425002       8.28414999       0.35522598       0.42417220       0.10493719
Li      10.91120003      11.08430004       8.36852996      -0.04707578       0.07602997      -0.26789333
Li       0.18528494       2.96161002      10.07859997       0.34209040      -0.51867482       0.04238854
Li      11.05730003       1.56161001       4.07998006       1.08786178      -0.36924139       0.34180738
Li      10.27289999       3.12877001       1.34274005      -1.25150638       0.85588859       0.69789320
Li       7.59088003       5.86355004       3.16579999      -0.01407010       0.76791780      -0.37012073
Li       2.60613997      11.44820000       3.89705004       0.07081831      -0.65111356       0.23743042
Li       4.56524003       8.49887996       5.54638005      -0.98838292       0.88268551       0.22009036
Li       2.54968999       1.33379999       7.55233997       0.57703803      -1.21178029      -0.52593521
Li       1.93838006       3.43236004       2.56789997      -0.42021136      -0.18470033       0.43925551
Li       0.12102094       6.93746002       0.13511497       0.18697468       0.61589657       0.23909169
Li       8.74811998       1.95152006      10.12609999      -1.08542729      -1.30367668       2.11423315
Li       1.32590002      10.27400002      10.76950005      -0.60017727      -1.90217502       2.09010880
Li       5.38299004      11.14909996       7.41964999      -0.61554157      -2.95749416       0.42801666
Li       6.36060998       7.70432005       0.50825195      -1.65401425       1.70712751      -0.36100551
Li       1.31291005       9.13102000       6.51569997       1.52938028      -0.86467203       0.83407674
60
Lattice="11.50542303 0.0 0.0 0.0 11.50542303 0.0 0.0 0.0 11.50542303" Properties=species:S:1:pos:R:3:forces:R:3 energy=-444.86109985 stress="-0.02668602589435563 -0.0003585477546870968 -0.0025511470564082268 -0.0003585477546870968 -0.026648296265040596 0.0026516896357398154 -0.0025511470564082268 0.0026516896357398154 -0.010257938523527854" free_energy=-444.86109985 pbc="T T T" config_type=melt 
Cl       4.41440002       0.77353904       1.40433997       0.49650393      -0.23018119       0.79740585
Cl       1.28491000       0.41992205       4.16632998       0.43509153       0.28759768      -0.93194524
Cl      11.43050006      10.64970006      10.27489997      -0.43289941      -0.25797886       0.19562612
Cl       9.15558005       6.85561999      11.03119998       0.27545140      -0.25295438      -0.21114200
Cl       1.68727995       2.67810996       9.72441001       0.67779475      -0.91127430      -1.02486000
Cl      10.34530005       9.03200997       7.20878999      -0.52771618       0.06908185       0.12054534
Cl       5.42179001       3.85843002       7.71520004      -0.59857905       0.19153819       0.26685134
Cl       3.41947995       5.02573998      10.91300005      -1.56990127       0.23509334       0.61798925
Cl       7.31300002       2.25969005       3.67497996      -0.74749723       3.41836758       0.82399611
Cl      10.92010005       6.34414997       5.19075996       1.14649104      -0.55453429       0.55009374
Cl       0.47920996       7.85836995       0.85164798       1.54291170      -0.08914217       0.20065283
Cl       0.02387697       5.23351998       9.18671004      -0.00637329       1.04607576      -0.64808298
Cl       8.53124000       7.18771999       2.79005001       0.51951144      -1.58632894       0.72819362
Cl       0.30609499       0.95146696       7.06692997      -0.43822560       1.42610392       2.08127158
Cl       5.00510006       6.46735004       2.47227000      -0.33188740      -0.09157627       0.32085304
Cl       6.24940005       6.98509005      10.86920006      -1.57427430       1.07904107      -1.68323657
Cl       3.88570006       0.97002797       6.30543998       0.49701269       0.98026370      -0.25586133
Cl       5.24479000       9.68317998       4.86498000      -0.93874495       2.26415876      -2.48040889
Cl       0.17812903       2.86551995       1.13290000      -0.61855543      -0.23602660      -0.04827375
Cl       7.56358997       4.07850000      10.13459997       0.67299065      -0.84229576      -0.19499705
Cl       2.42065000       7.15286995       7.71110997      -0.03970491      -0.51863683      -0.36252841
Cl       7.52899995       9.95066001      10.02430001      -1.47440340       1.12002419       2.40331907
Cl       3.46351006       9.92493998      10.46590001      -0.68260817      -1.09556407       0.16436585
Cl       6.79488999       6.91629004       7.19684000       0.05996463       0.45388189      -0.09533160
Cl       2.25065001       4.50003005       5.67896003       0.46681158      -3.38462223       0.37966989
Cl       8.61010001      11.43929998       7.01764004      -1.49407957       1.08017173      -0.02046583
Cl       9.02311996      10.75740002       2.30146003      -0.03093980      -0.40614750      -0.23139360
Cl       8.59487005       4.08805997       6.22243997      -0.00568969      -0.07817951      -0.24134791
Cl       2.04268005       8.51544995       4.59657999       2.08850747      -0.30954446       0.36862287
Cl       5.69628996       1.09529004       9.31790006      -5.97258042      -2.53115959       0.63796301
K        1.79796995      11.45489996       1.02463995      -0.70604564       0.10942156      -0.17888461
K        5.26038998       5.02894999       5.26985998       0.08649959       0.46095472      -1.20382776
K       11.23830001       8.66316003       3.62497003      -2.07101876       0.76592628      -0.89064199
K       10.62689999       2.56742997       4.38199005      -0.33294051       0.01218365      -0.17403283
K        3.32490998       9.80790003       7.36442005      -0.19306941       0.54873126      -0.22000302
K        5.35498998       3.29513003       0.57568903       0.39472799       0.12685908       0.26961104
Li       0.98788404       4.33699004      11.04419996       0.69124903      -0.20049784       0.28608886
Li      10.20750005       8.62376005      11.30590001       0.32863353       1.08197099      -0.04391322
Li       2.80952996       8.25595998       1.36962995       0.11992963      -0.43101262       0.18519371
Li       4.82357002       5.83081999       9.75481999       1.22091448       0.53024217      -1.04436777
Li       2.02775004       6.32405000       5.15839003      -0.77589586       2.90784927      -0.59398443
Li       7.54083995       8.81615005       2.27386001      -0.65761557       1.69280174      -0.29851986
Li       3.89935999       2.73980997       8.75398004      -0.69153014      -0.77338217       0.49409091
Li       2.30369001       7.43123998       9.78779005      -0.20189527       0.16795032       1.02990335
Li      10.65000001       1.01348004      11.07160001       0.19250227       0.38292969       0.11680881
Li       1.74257996       1.79478996       6.15078995       2.11919335       0.54088216      -1.46102513
Li       5.96696999       8.50888001       6.06412006       1.55689760      -1.73011112       1.87338332
Li       1.13944003       4.24975995       7.58737996       0.01278133      -0.25821906       0.53688883
Li       6.81747997       6.36813003       1.12588998       0.79086602      -0.50194560       1.54930354
Li       7.24914998       1.83150998       9.18556997       5.96014445       2.66892709      -0.30773845
Li      10.68220000      10.96809999       6.67823996      -1.14611960      -0.62427385      -0.59435161
Li       9.88867006       4.92352005      10.42239996      -1.29681987      -0.19627036       0.43066916
Li       8.69430003       9.25500002       8.72795995       1.47515211      -0.69779887      -2.10208856
Li       8.87643997       6.17778995       4.89842005      -0.89225168      -0.28043838       0.05652531
Li      11.19710001       7.31905003       7.35127004       1.29332706      -2.35550728       0.08160681
Li       5.49643995      10.57489997      10.73129997       0.38776620       0.30898677      -0.02357500
Li       3.59575995       1.01526004       3.73773997      -0.04704851      -0.51417710       0.18903424
Li       7.31766006       4.90421004       7.76972999       0.71231243      -0.00317320       0.81310254
Li       6.18844996       2.03609999       6.63638001       0.16123535      -0.84033093      -0.43039721
Li       7.48850006       0.47903404       3.23636999       0.11373569      -3.17473106      -0.57240333
60
Lattice="11.50542303 0.0 0.0 0.0 11.50542303 0.0 0.0 0.0 11.50542303" Properties=species:S:1:pos:R:3:forces:R:3 energy=-447.11115663 stress="-0.012641722290197084 -0.004461630570062054 -0.0020753822436503254 -0.004461630570062054 -0.023223517624056444 0.0058928489202930215 -0.0020753822436503254 0.0058928489202930215 -0.022888292479070985" free_energy=-447.11115663 pbc="T T T" config_type=melt 
Cl       2.68097998       8.83299998       9.44912999      -0.05138962       0.71539488      -0.26366600
Cl      10.26269997       9.32802000       8.60639998       0.55990281      -1.59316800       0.18412924
Cl       6.70966000      11.00790000       1.70480996      -0.43484969      -0.68789261      -0.29909542
Cl       0.39214796       4.79237997       7.50305004       1.19169377      -1.00702388       2.38701230
Cl       6.27367005       7.12691004       0.93052697      -2.04375717       1.73575294      -0.82373438
Cl       6.08403997       9.34804001       8.99548002      -3.44998612      -0.09320673       1.85007660
Cl       9.99735005       4.32015001       4.40510996      -1.03522887      -0.86282420      -1.83070768
Cl       0.18790105      10.81999999       5.75835999      -0.65804445       1.80831134       0.46630551
Cl       5.96230995       6.00128998       4.88394001       1.15039023       1.53064193      -0.50519538
Cl       8.74882998       1.26744005       4.75220004      -1.96533968      -1.52544851       0.38508686
Cl       4.45003001       0.35625795       6.80612998       0.51520333       1.13393387      -0.41679441
Cl       9.91758997       9.51023000       2.78507001       0.80617924      -0.25303502      -0.96592535
Cl       3.06681998       5.75857997       2.65943999      -1.26436887       0.47717149      -2.03544359
Cl       8.46596996       6.43222997       8.02010997      -0.15642170       0.61209354       1.89004241
Cl       4.76124998       3.51146995       5.38089996      -0.46681996      -1.86444586      -0.45836474
Cl      10.95430004       7.25343000       5.21859998      -0.83169313      -2.44016507       0.71341493
Cl       8.49635003       3.13459003       7.01456004      -2.48919804       0.73666801       0.50207303
Cl       8.41027002       0.12297698       9.24492001      -0.29787448       0.75812015       0.08344342
Cl       0.09267572       5.91444003       0.73188401      -1.18013630      -0.94228810      -1.22909898
Cl       2.98740000       5.48957996       9.78500999      -0.39827973      -0.18541550       0.07482363
Cl       1.30625003       1.22660005       8.24128999      -0.55422558       0.45192478      -0.84199742
Cl       2.05348997       9.00053999       1.83786005       0.77845064       1.31751625       0.09929982
Cl       9.68421006       3.70907996      10.57120005       0.52283332      -0.57128499       0.53446723
Cl       3.03949000       9.10293998       5.83770000      -0.30541813      -0.68148149      -0.03699025
Cl       3.91247997       0.93767898      10.95539995       0.94570037       0.11732585       0.31157446
Cl       6.83707002       3.39630999       2.50536995      -1.18585371      -0.07534506      -2.17332898
Cl       5.92649000       5.15156996       9.81799995       1.46021460      -2.24028749       1.24934917
Cl       0.41687496       1.90290999       2.39904995      -0.11010174      -0.26539979      -0.34676955
Cl       7.81899000       9.49991999       5.72662999      -1.05774350      -0.86171645       1.12755008
Cl       0.59883299      11.40610005      11.27420004      -1.04182661       0.98360711      -2.28522464
K        4.71240002       9.47986005       3.46583001       0.30381294      -0.23898086      -0.17507484
K        3.09910006       2.63562998       2.51924998       0.57577642      -0.17198076      -0.14355115
K        4.31102000       2.97398997       8.03579002      -0.46642569       0.27052033       1.15712314
K        8.79912997       8.51291002      11.08830002       0.30287022       0.40087620       0.26518180
K        6.86428000       1.84183000       0.15967698       0.25582772       0.10657139      -0.92665329
K        8.21758997       5.86238995       1.84335999       2.69051223      -1.05564149       1.04140881
Li       5.56193998      10.25590003      11.17760005      -0.12475431       0.50897340       0.17581264
Li      10.89380003       5.19926005       5.94431006      -0.54872364       1.14704206      -0.95656648
Li       5.58625002       6.59573998       8.57838002      -0.22017797       1.51940555      -1.33897400
Li       0.85101403       8.57680999       8.08412004      -0.01222591      -0.12520290      -0.08512104
Li       5.09283995       5.57262000       1.95900997       0.69790142      -0.13900454      -0.05156604
Li       9.02807005      10.49249997       4.39136996       0.09643878       0.92856052      -0.20378797
Li       2.15036000       0.24899001       9.91198004       0.45185766      -0.55131825      -0.01715754
Li       3.52056004       7.37184001      10.84909997      -0.10091038      -0.14890656       0.21745206
Li      10.30660006       2.74127001       7.62560006       2.15318776      -0.05305602       0.79469553
Li      11.43710003       9.03243003       4.97299003       0.50646153       1.20997257      -1.64831762
Li       8.40119006       4.53135000       9.13347998      -0.93665059      -0.06143867      -0.69006918
Li       7.68823995       8.97273000       8.16593004       3.87782771      -0.28563824      -2.22861993
Li      11.09569996       2.27361000       0.19360198       0.10717968      -0.40134930       0.01571615
Li       6.64942002       1.19405995       6.13339996       0.40154458      -0.00255862       0.02894854
Li       0.51189698      10.85949995       1.56989001      -0.28097374      -1.11730640       2.90592974
Li       4.56268996       9.86708001       7.19039995       0.34150956      -1.18144462       0.68216817
Li       0.84326501       5.05140996       9.77505999      -0.43617699       0.16051469       0.22283944
Li       8.36364004       6.75269006       6.09869995      -0.10708716       0.66289299      -2.46628245
Li      10.30410005      11.27449999       7.86029999      -0.00777318       0.54511129      -0.10369822
Li       2.19965004      11.13250005       6.47742005       0.26256604       0.42093210       0.29200370
Li      10.31640003       1.94736004       3.81567000       1.08288395       1.14425140      -0.42285883
Li       3.86745004       5.12910999       4.27288999       1.19598445      -0.14324718       2.72700075
Li       7.33802995       3.82901997       4.32358001       0.66653046       0.54531257       2.63400756
Li       1.29190000       7.13201005       1.71271004       0.31919522      -0.12189603       0.95169859
60
Lattice="11.50542303 0.0 0.0 0.0 11.50542303 0.0 0.0 0.0 11.50542303" Properties=species:S:1:pos:R:3:forces:R:3 energy=-443.32019044 stress="-0.02318431431826321 0.00029513057041357624 0.00022860629424059065 0.00029513057041357624 -0.022298546150399553 -0.003445772387593187 0.00022860629424059065 -0.003445772387593187 -0.012658756286103462" free_energy=-443.32019044 pbc="T T T" config_type=melt 
Cl       4.59801000       9.69670000       3.17048005      -0.61208708      -0.79299701       0.41722218
Cl       8.58402998       7.55311002       9.84884001       0.06326630       0.03088060       0.09377579
Cl       2.23242001       8.74101999       7.97083006       0.66454922      -0.10601984      -0.55845213
Cl      10.85980001       9.84642997       6.91789999      -1.43876587      -1.29665531      -0.21049737
Cl       5.84676996       8.92364004       7.19070001       0.10064300      -0.12437746       0.22327627
Cl       2.66602995       6.86137995       3.23580001      -1.74973005       0.72479397       2.34325035
Cl       6.79931003       4.74416005       5.14918005      -0.36333643       0.05274642      -0.52619675
Cl       0.07359904       1.21761995       3.92721001       0.10631761      -0.68695567      -0.16544556
Cl      11.16550002       5.05281005       4.14441997       0.41086249       0.91763989      -0.70745844
Cl       9.09994995       2.56312004       6.25886004       0.93221980      -0.19418921       0.62872740
Cl       3.44982999       0.55991199       1.03345000      -0.85710341       0.17570842      -0.47071119
Cl       8.81944003       7.84279000       4.65509002      -0.98951848       0.89900191       1.51901680
Cl       2.55139003       3.82979003       3.05746998       0.80578733      -1.52057358      -1.16380434
Cl       8.88273999       6.21933005       1.99312999       2.22270566      -0.34336477      -2.28339409
Cl       7.97297996      11.26739999       4.29703999      -0.11243003       0.03579743       0.26099549
Cl       0.56221905       8.10059995       0.42899304       0.21051086       0.15354889       0.09967986
Cl       8.57962997       4.20510004       9.45358006       0.33708868      -2.65401176      -0.80054061
Cl       5.10956999       9.09489999      11.30619996       0.91311953       0.55282442      -0.79870237
Cl       7.07791995       3.02935004       1.64639002      -2.00343026      -0.32274779      -1.02335275
Cl       1.11540002       9.32652003       3.91683995       0.41046899       1.52979684      -1.62284409
Cl       5.72781999       4.77076002       9.21356002      -1.00778175       0.64005169       0.00879602
Cl      11.03940001       0.85571204      10.33489995      -0.01136163      -3.21833090       2.81623260
Cl       0.39903695       4.41313005      10.39930006      -0.70540532       0.31375424       0.05852496
Cl       5.92877003       6.14009002       0.97636400       0.71083351      -0.03926316       0.48874660
Cl       9.20888997      10.44950006       0.66336703      -0.75297497      -0.31467489       1.13357996
Cl       2.66506004       4.56267006       6.73403999      -0.77644169       6.35319710      -0.27420034
Cl       3.32811999       6.37133004      11.05179998      -0.15655364       1.41676860       0.55494754
Cl       3.05567997       2.88372003       9.29869003       0.58824707      -1.94321850       0.09685638
Cl       0.81140397       0.78362102       7.65008003       5.94980450       2.63166235       4.07734576
Cl       5.80967003       1.58618997       6.32483996      -3.39264879      -0.55753566       1.92721155
K       10.79499998       4.74588000       6.83197001       0.39844350      -0.09145892       0.89052899
K        5.18021996       0.67300305       9.73279999      -0.20874415      -0.20233558      -0.15862797
K        6.01984005       0.10284997       2.10842998       1.33752403       0.30229209      -0.50441105
K        9.08367001      10.58030004       9.30300997       0.01304783      -0.43123068      -0.18715264
K        7.76092995       6.04392999       7.50190997      -0.21212457       0.84255682      -0.73436328
K        9.29860005       2.79473997       2.97455006       1.41444245       0.13147700       0.88919284
Li       0.74019805       5.98670996       1.85670996       0.45761303      -0.04267738      -0.21051894
Li       7.64568001       9.62432997       6.13044997       0.34288226      -0.12121132      -0.73648409
Li      10.25889996       7.22410003       3.42676001       0.84998752      -0.68589298      -0.91220539
Li       3.69837003       8.97017004       4.99369001      -0.25598380      -0.24432500       0.43006773
Li       5.09987000       7.21845995       9.61563003      -0.27431810       0.18437464       0.15738208
Li       7.44340996       1.66061004       5.42014001       1.99856685      -0.00170703      -1.54822577
Li       2.65332003       4.85618997       9.99221000      -0.91198944      -0.98433094      -0.79742377
Li      11.09660003       0.43677704       6.51657001      -4.59727726      -0.84999763      -5.05199298
Li       4.51289001       3.01423997       2.24808004      -0.10477130       0.24204447      -0.02294767
Li       1.22937999       8.23396000       9.70694006      -0.36361391      -0.48517347       0.75915469
Li       0.28390000       8.33705998       5.34635999      -0.93832223      -0.40328530       2.28607454
Li       7.19656997       6.30884006       2.98844999      -1.69761369      -0.24855409       1.55359429
Li       3.90574998       6.48811998       1.88741000       1.83519292      -0.65348377      -2.42968420
Li       9.73575999      10.62460006       3.10871997       0.47046055       0.05808094      -0.38729800
Li      10.70260004       2.46876004       9.58400001      -0.49818788       4.03218489      -1.60328181
Li       3.17186001       9.41211003       0.67231100      -0.38672027      -0.11534007       0.59480463
Li       7.68068998       7.86839003       0.34689702      -0.10024858       0.34088457       0.37250596
Li       1.62015996       0.67498900      10.12850002       0.53378940       0.55945133      -0.52329760
Li       1.81383995      11.40411398       2.92680002      -0.23153821       0.22827448       0.22832582
Li       5.86943000       3.44952004       7.48990004       0.06457873       0.29754361      -0.71262583
Li       6.75589006       4.33653005      11.19070001      -0.09674310      -0.00331179       0.14350731
Li       9.21916995       5.44623995      10.78149997       1.56213166       1.83814593       1.53910751
Li       2.17268995       5.07103004       4.68432000      -0.25142892       0.53744124      -0.08415636
Li       2.84594002       2.84096001       6.76573997       0.35410952      -6.34369334       0.61786544
60
Lattice="11.50542303 0.0 0.0 0.0 11.50542303 0.0 0.0 0.0 11.50542303" Properties=species:S:1:pos:R:3:forces:R:3 energy=-444.88881393 stress="-0.032219046389670054 -0.0015348850857479694 0.0035331478106162117 -0.0015348850857479694 -0.014180448974879961 0.001588626888544347 0.0035331478106162117 0.001588626888544347 -0.027775547072818707" free_energy=-444.88881393 pbc="T T T" config_type=melt 
Cl       9.35387004       4.89975997       8.45672996       1.66574718       0.74580788       0.03255921
Cl       6.28001000       1.50636005       9.70655002       1.43982189      -0.46888355       1.09011748
Cl      11.29831598       2.17400997       7.68140999       1.98942400       2.37148359      -1.10621417
Cl       8.41417002       0.92813201       7.41779003       1.66142014       0.00978567      -0.61894606
Cl       2.46216996      10.01150000       8.18229996      -0.51920861      -0.24662442       0.46538206
Cl      11.21192406       9.23102997       4.17825995       4.50028041      -1.78309853      -0.41755842
Cl       1.03304996       6.67147995       7.79043998       0.22322645       0.55779927      -0.33800557
Cl       2.88334001       6.01643997       4.78543001      -1.70129840       2.24617966       1.31684118
Cl      10.22170005       0.42548400       3.18494996      -0.57166798       0.09010665       0.38440241
Cl       6.94012996      10.90850005       3.87492995      -0.42189886       0.21320407       0.15855223
Cl       2.15145002       8.44040997       1.39952000       0.71829648      -0.21563458       0.07526986
Cl       1.47216996       1.37856000       1.59735000      -0.32049986      -0.28292139       0.24084033
Cl       5.25153000       5.20888998       2.84754998       2.57093765       1.16524745      -1.69718939
Cl       7.66255996       1.84195000       1.61540005      -1.14890968       0.58276116      -0.22725550
Cl       3.14500002       1.17102000      10.44149999       0.35579526      -2.60259898      -2.12593449
Cl       9.00526998       8.33157005       9.79427002      -0.03530629      -1.09570772       2.50354227
Cl      10.47360001       5.04810997       2.29102001       0.07884141      -0.67827082       1.28982146
Cl       7.53289005       4.66606999      11.21336005      -0.32024352       2.01644315       1.82556640
Cl       4.76550998       1.18895005       6.72306002      -1.42352199       0.83022835      -0.48522665
Cl       9.91573001       8.92094996       6.97737003       1.19517147       2.00159157      -0.91479375
Cl       8.24174998       8.32601006       1.73987998       3.10076307       2.72706695       2.58466923
Cl       2.95097004      10.01120005       4.62340005       0.34742287      -0.69455637       0.23573530
Cl       1.87245997       4.36953002      11.26800000      -0.51530674       1.54819579      -0.23638518
Cl       6.56380000       9.35026999       7.18884005       1.30747523       0.96321321      -0.49883864
Cl       9.76602006       2.06116996      10.99410006       2.43995814      -0.85212718      -0.48497763
Cl       5.67200005       7.62976997      10.78869995      -1.09101271       0.08751440      -0.20454504
Cl       3.97637004       2.14331994       3.25880005      -0.60325357       0.37697060      -0.69018306
Cl       6.44181997       4.96665998       7.82177005      -1.91058767      -0.56955458      -1.51725349
Cl      11.39820606       9.96799995      11.42899998       0.59989604      -0.32280487      -0.47177998
Cl       8.77671004       4.02272999       4.58361004      -1.32790843      -0.12305573       0.72311544
K        4.63149999       7.77457998       7.60163000      -1.78078465      -1.61195431       0.58692803
K        6.78550996       8.00684997       3.99504000      -1.22554874      -0.50943071       1.01050651
K       10.69859995       6.64941001       0.33987698       0.30197446       1.32807329      -1.74753901
K       10.08759997       6.74277997       5.47975997       0.36699960      -1.87375899      -0.34850359
K        5.42534000      11.33920004       0.84156095       0.31674864       0.21256900      -0.07392519
K       11.11450005       2.64850995       4.80671999       0.90123846      -0.15869859       0.13332685
Li      11.22790003      11.49989997       1.31892003      -0.14888952       1.02192191       0.25595037
Li       4.66230000       2.29264998       8.85678997      -1.31513208       0.52417328      -0.60193139
Li       2.15835995       7.91827996       3.67647003      -0.01357337      -0.10881617       0.03148807
Li       0.43913001       9.09934005       6.19753004       0.80093108       0.01791712       1.01630600
Li       3.72800006       4.58196005       3.85778997      -0.26073539      -2.68267396      -0.18985007
Li       2.46321995      10.92070006       2.81393999      -0.57329495       0.78787916      -0.79726565
Li       2.99457996       2.65949004       0.07269782      -0.13228105       1.30127529       2.31349527
Li       3.37588004      10.96507003       6.50549995       0.16009713       0.28178171       0.34391528
Li       8.51342005       8.06984998       7.98155000      -2.45225953      -0.82937803      -1.18626325
Li      10.60730004       0.63782395       8.54478004      -1.34461013      -1.62060960       1.13259161
Li       7.87551004       4.30061000       2.55885003      -0.32392117      -0.23409162      -0.53748341
Li       9.45011002       9.57668003       3.91235996      -3.92346852       1.88744549      -0.87988175
Li       3.29576996       6.37289995       0.39370200       0.28583516       0.12127549       0.05271242
Li       7.86545004       2.73993998      11.01470005      -0.89077184      -1.45361220      -0.06306929
Li       5.19512006       1.25834996       4.56728005       1.01721787      -0.79856028       0.47543653
Li       1.95242001      10.41570000      10.67440002       0.35491215       0.19488278      -0.59250387
Li       6.46995004       0.53767695       7.56672002       0.11229229      -1.42917832       0.91457253
Li       9.42968997       9.94903004      10.88980006      -0.93899821       0.96333126       0.44053715
Li       7.31393000       7.30357006       0.59190604      -2.15400015      -2.92019044      -3.06512057
Li       8.07309003       1.40170994       3.57782000       0.58696051      -0.32681251       0.76422069
Li       7.43707001       5.65952000       9.40527005       0.56607747       0.88694613       0.45174733
Li       8.22775996       3.12775995       7.85951003      -0.17573784       0.11271320      -0.18524576
Li      11.05789809       3.28334997       1.21734003       0.21783363      -0.85614326      -0.71009833
Li       0.57392697       4.82260000       8.67327997      -0.61896467      -0.82603683       0.16361862
60
Lattice="11.50542303 0.0 0.0 0.0 11.50542303 0.0 0.0 0.0 11.50542303" Properties=species:S:1:pos:R:3:forces:R:3 energy=-446.17923647 stress="-0.024536544510536402 0.000770244468667758 0.005131541793372797 0.000770244468667758 -0.015974770114433566 -0.004026481710099361 0.005131541793372797 -0.004026481710099361 -0.021417323742288878" free_energy=-446.17923647 pbc="T T T" config_type=melt 
Cl       8.03216006       6.97610006       5.51277995      -0.41347176      -0.25537294      -0.15290689
Cl      10.64109999       8.10858000      11.43796892       0.19318489       0.16164188       1.32771101
Cl       1.37923997       1.56128004       9.77711002      -2.38879218       1.63384759      -0.08255340
Cl       3.24457002       3.63028001       1.19035003      -0.44079838       0.25027526       0.11761942
Cl       3.62725995       8.84906005       6.06350003       0.43962893       1.25254616      -0.66652455
Cl       6.68386001      10.40699995       5.02046003      -1.11951776       0.59083961      -0.35322170
Cl      10.00690001       0.50141704       6.91638001      -0.11429066      -0.85778235       0.40635241
Cl       9.85269996       3.29978996       9.72849996      -0.67810693      -0.02999484      -0.39606068
Cl       9.19525995       8.24786005       8.76347006       3.63161115      -0.51805633      -4.41869582
Cl       4.36235006       1.35519996       4.13117999       0.05219822      -0.51980900       0.36319479
Cl       7.19105001       9.32216005       2.33972005       0.33074556       1.74232319      -4.23326776
Cl      11.14979995       2.08143998       4.23599003      -0.20444974       0.02540285       0.46231946
Cl       9.88315999       0.17458904       0.19686504       0.24343411       1.40706281       0.76877257
Cl      10.71579998       4.26319000       1.29253004      -0.34408930      -0.73341998       0.32931056
Cl      10.66369997       4.97730997       5.82914998      -0.02629805      -0.59699795      -0.69598124
Cl       7.61647004      10.20079999       9.99510005       2.84984802      -1.15140337       0.22764436
Cl       7.24131996       6.43644003       0.23670797       1.39382815      -0.83020474      -1.06634420
Cl       1.15103002       6.36546998       2.69348005       0.50914472      -0.08328776       0.23361083
Cl       6.05185999       0.97494803      11.12430002       0.40029233       3.10677843       1.08923055
Cl       3.00720003       7.38884998      11.32960003      -0.13750619      -0.38880392       0.19233984
Cl       3.65289001       4.73357000       5.25031997       0.16963136      -0.13412751       0.06387788
Cl       1.25004995       0.71498898       2.00220996       0.46979885      -1.16383254      -1.40182802
Cl       1.41449005      10.70850002       7.36314997       5.82117048       2.23860915       2.09519852
Cl       7.65664997       3.10360995       6.36289000      -0.51984581       0.13743788      -0.08784395
Cl      10.73189998       8.82135004       4.81438996      -0.06954128       1.17845797       0.18108566
Cl       4.20346005       1.10937003       7.90266997       1.28292146       0.68484861      -1.27410600
Cl       4.54799995       7.67163003       2.81402996       0.41932848       0.38498692      -1.68440698
Cl       6.74594995       3.53835997       1.96548005       1.40922047       0.61404980       0.71519673
Cl       1.02644999       6.97148006       7.42033997       0.54389631       0.05004947       0.82879369
Cl       3.52796999      10.49379997      10.88930003       0.19691366      -0.15208446      -0.31868387
K        7.97693000      10.08150003       7.26985997      -0.11653490      -0.04661292      -0.28793567
K        0.07947693      10.33279998       9.87256005       0.30623767      -0.20654727      -0.05340007
K        7.75749995       1.40280998       3.95982996       0.13648670      -0.06106406      -0.36540538
K        1.73164003       2.95122994       6.61273004      -0.12529951       0.12588713       0.37329516
K        3.62536996       8.12331005       8.64682003      -0.24811700      -0.08036024       0.37483389
K        0.32656498       5.56721004      10.52050003       0.38911100       0.39282080      -0.41671805
Li      10.42660001       6.96816005       6.99753995      -0.58488832       0.27480471       0.00188550
Li       9.86425003       2.54064995       6.83178995      -0.12597444       1.31285797      -0.15886959
Li       7.81037002       4.86150996       4.68710006      -0.00363908       0.14105243       0.23238872
Li       8.35161998       1.56734995       9.89660005      -0.04334543      -0.64486715       0.43866270
Li       5.54884002       7.05566006       1.04911003      -0.96432217       0.67290506      -0.01820603
Li       0.13047702       4.23034006       3.71678998      -0.22724413       0.13800819      -0.53880431
Li       5.39186003       2.42413004       6.37108003      -0.18960607       0.35490785      -0.22622518
Li       3.81226002       7.47237003       4.56380001      -1.08568438      -1.55210504       2.09611446
Li       7.28325999       8.43559001       3.97445001       0.23671123      -1.40281921       3.04517035
Li       3.17114000       6.02445005       1.45344995      -0.32259300      -0.89908371       0.70672892
Li       8.23108997       4.28131000      11.20030002       0.21481997       0.15015123       0.82963882
Li       1.31418002       8.34134000       1.69034005      -0.20309566       0.06153189      -0.74569619
Li       5.15641996       2.52534003       1.18686999      -0.68914548      -0.59385342      -0.55152749
Li      10.81689997       0.32674803       2.68852996      -0.26785695       0.05490186      -0.00767903
Li       5.02316000      10.38179997       3.11275999       0.37441900      -0.13385528       0.27768823
Li       8.21266001       7.59248998      10.12130004      -1.88631914      -1.03410033       3.25697833
Li       2.41356001       1.92900003       3.15899004       0.54401158       1.00749647       0.05303266
Li       3.48517005       0.01787701       6.12262996      -0.15398110      -1.02823061      -0.16811944
Li      11.19070001       6.89418996       4.17769999      -0.20004007      -0.43424288       0.45340090
Li       5.90998996      10.75899997      10.25060006      -4.42185146      -0.27815559       0.13797670
Li       0.22701695       2.29401004      11.46969535      -0.41718175       0.05808713       0.75542745
Li      11.44290003      10.15680003       6.67403001      -5.22977865      -2.08451113      -2.95934410
Li       3.10884998       0.81370701       9.60309004       1.80900534      -1.38783205       1.00940313
Li       8.67320000      10.02909996       0.67517297      -0.40439290      -0.92115172      -0.11452860
60
Lattice="11.50542303 0.0 0.0 0.0 11.50542303 0.0 0.0 0.0 11.50542303" Properties=species:S:1:pos:R:3:forces:R:3 energy=-445.59366877 stress="-0.020866656257477204 -0.0023505322765973043 -0.0005242732724314636 -0.0023505322765973043 -0.019707724398221355 -0.0010582238487248808 -0.0005242732724314636 -0.0010582238487248808 -0.012880010900231456" free_energy=-445.59366877 pbc="T T T" config_type=melt 
Cl       9.31811003       3.21792001       9.04623999       0.00328335      -0.09519986      -0.06673046
Cl       7.75670999       2.33051997       4.87867996      -0.95975363       0.28939683       0.70007677
Cl       8.08405999       7.30039997       9.00412002       2.40213611      -0.12787931       1.07728273
Cl       5.70325005       0.33854500      10.51689998      -0.76531511      -0.70727512       0.25788934
Cl      11.23100005       5.46831000      11.03199995       0.17138754       0.58770020       0.99552248
Cl       7.95556006       5.42466003       5.32758004      -0.84567698      -1.20107099      -1.72313469
Cl       0.34816503      11.45946335       2.75899998      -2.63750755       0.17079321      -1.18722058
Cl       2.34630000       7.87322000       1.75012004       0.08664306      -0.09073298       2.53634345
Cl       7.70291995       2.22853003       1.24855999       0.01682633      -1.36655648       0.56938157
Cl       4.60015001       2.36264000       7.61755006      -1.52198875      -1.50769721       0.40118491
Cl       0.52298901       4.49929002       3.16743997       0.50120660      -1.04537559      -0.02758204
Cl       1.66131003       5.13299998       8.37723002       0.42425697       0.09463919      -0.12766430
Cl       2.15400998       8.07687002       5.53150998       0.39749109      -0.74691205      -1.11561385
Cl       9.67906000       0.02163353       6.72543003       0.26819690      -1.95045538      -2.63058748
Cl       2.31069002       9.90841003       7.95938998       2.31964442       0.83925936       2.23078085
Cl       6.75468003       7.99879997       5.85013000      -0.02606563       2.72181256      -0.58285728
Cl       4.25677998       2.29753001       2.74992002      -0.28127310       2.07348892       0.93726157
Cl       2.41870995       0.37003696       4.48418996       0.89798612       0.69100318       1.83049037
Cl       6.36635003       4.67182995      10.78549995      -1.02428457      -0.14840042      -1.07967255
Cl       2.74657999      10.19449996       0.43671905      -0.79815471       2.25447586      -2.05508454
Cl       5.57557000       8.19852997      10.63320002      -0.79480735       2.24606148      -1.88902666
Cl       5.65564003      10.24630002       2.69566999      -0.30574870       0.33506738      -0.37608149
Cl       5.58155995       6.75007004       2.29292001       0.20096319      -0.22810444       0.42349993
Cl       2.93564999       4.40950998      11.35579995       1.06818633       0.00187332      -0.01579326
Cl       9.87449998       7.33225998       2.22356003      -0.85841941      -0.20163846       1.04499588
Cl       4.94171001       6.00250000       6.91898001      -0.78491513      -0.81260484       0.85110862
Cl       9.50381998      11.01950000      10.59200002       0.05472905      -0.14836981       0.00350062
Cl      10.65900001       5.53743999       6.48437001       0.71800670       0.44435437       0.37922426
Cl       1.28587001       1.73801001       8.36473996       0.59424239      -1.36121155      -0.34275447
Cl       0.67717100       2.30084000       0.39563399      -1.11853473      -2.31453290      -0.75464057
K       10.47920004       2.18783995       4.31742000       0.37206825       0.26428298       0.24737940
K       11.47120003       8.61305000       0.42400901      -0.44294445       0.46787062      -0.69464252
K        0.12477700       9.30462004       6.94873004      -2.58974257      -0.39880532      -0.84401251
K        8.00623006      11.23009998       4.36765003      -0.08385272      -1.48547767      -0.49499431
K        8.55673003       4.70522996       0.74502895       1.44198337       1.30371033       0.46970714
K        4.58748001      10.95089995       6.23085998       0.22076127      -0.40280313      -0.04879238
Li       4.06546999       7.68270999       4.19043005       0.27458355      -0.32159647      -0.11389346
Li       7.39365004       9.16079005      10.87060004       1.43777166       0.65363082      -0.23651865
Li       9.64901002       1.16774003       8.17092996      -0.44627666       1.71230948       2.72311988
Li       2.26737003       6.34471006       0.56005396      -0.34971364      -1.54518229      -1.24910214
Li       2.92707995       3.14204002       9.00237004      -0.02595906       1.30211286       0.49238846
Li       8.56525003       5.97508005       7.23210999       0.17401766       0.25103677       0.08006298
Li       6.36349001       7.51451002       8.06770997      -1.84873087      -0.07111461      -1.17092465
Li       2.02512002      10.26420005       2.35107003       0.25080071      -0.45457197       1.38826501
Li       5.32770004       6.54574995      11.49233791      -0.35207430      -3.13525370       1.69757417
Li       4.69281998       9.71283003       0.38640204       1.39892597       0.04067074       0.64966723
Li       6.18180995       2.44441997      10.43079995       0.41360156       0.53221942       0.36773784
Li       2.75490002      11.33940208      10.07409997       0.01446520       0.00443718      -0.73090175
Li       6.27869999       3.22787002       3.54172001       0.00205099       0.27439419      -0.41625733
Li      11.39330004       2.44646000       9.56916998      -0.95107734       1.23630622       1.77612035
Li      10.71659995       5.41400003       8.98864005       0.29340333      -0.23445741      -0.94412568
Li       2.54759002       7.24045004       7.69506002       0.50540244      -0.56161864      -0.32603930
Li       6.08197003       3.53512004       7.07611003       1.51349732       2.02667369      -0.93967393
Li       4.98825002       0.85809804       1.67321998       1.32656217      -1.84218986      -1.24050828
Li      11.46220003       6.15028003       4.34039000      -0.42488241       0.81731871       0.48248131
Li       9.94704995       0.99919801       0.81795205       0.07669624       0.00231342      -0.14195328
Li       2.05935003       2.02750003       2.78655996      -0.38504995      -0.48998633       0.10102145
Li       1.29364998       3.97583998       1.22758998       0.07193772       1.65208471      -0.19885910
Li       7.49688003       7.14315995       3.75227995       0.05463644      -0.21127721       0.16069855
Li       2.27906000       2.01480000       6.53948996       0.65439730      -0.08294596      -1.10912364
60
Lattice="11.50542303 0.0 0.0 0.0 11.50542303 0.0 0.0 0.0 11.50542303" Properties=species:S:1:pos:R:3:forces:R:3 energy=-445.30891611 stress="-0.018689006144059696 0.0010011006771520107 0.003404324516529608 0.0010011006771520107 -0.02330611857346608 0.0034789295996697648 0.003404324516529608 0.0034789295996697648 -0.007558495282469673" free_energy=-445.30891611 pbc="T T T" config_type=melt 
Cl      10.89530000       4.06103005       9.36769000      -0.36109134       0.53603679       0.33262715
Cl      10.41490003       9.53811006       3.13838003      -1.21638719      -0.35185650      -0.13209114
Cl       8.98209001       5.16618001       5.78977002      -2.87677247       0.98186747      -1.94558384
Cl       2.62065003       4.76988998      10.41440001       0.46833406      -0.10189549      -0.55176973
Cl       4.47908005      10.04660005      11.24619998      -1.08993864       1.80497065       0.41810470
Cl       8.26842001       0.83395897       4.54549005      -0.72246599       0.38508475       0.46581543
Cl       5.55539006       6.53242000       0.15497805       0.46875795      -0.90831217       0.33057557
Cl       6.78114998       7.89275000       9.02946002       1.31343794      -0.07406007       0.19469238
Cl       5.98784002      10.02199996       2.88919006       0.52475637      -0.00095946      -0.17677163
Cl       0.34863595       0.84927798       3.72551995       0.21133438       0.13597210      -0.69016315
Cl       9.31660006       1.56779004       0.60354101       0.57379113       0.49298006       0.09616976
Cl      10.89409998       4.07543001       2.79289001       0.32791440       1.88008130      -1.39265504
Cl       0.10008602       7.39738999       8.74593004      -0.23945221       0.16608571       0.21742424
Cl       3.06888003       4.67434998       2.78630005      -0.15990735      -0.59782038       0.30376065
Cl       5.22319996       0.01830478       6.35848999      -1.99956489       1.90454564      -1.03403100
Cl       9.05517004      10.46669998       7.56994004       0.25933321      -0.74640325       0.19414682
Cl       5.55558001       2.21070997      11.05439998      -0.90943508       0.36365849       0.21386141
Cl       1.97727000       7.54474995       2.49897006      -0.43287152      -0.13050284      -0.83002625
Cl       6.18643996       7.83613998       5.35610002       0.39598341      -0.22217093       0.08028288
Cl       1.58663005       6.38461006       5.55209997      -0.66215329       0.80650228       0.85015365
Cl       6.38192998       4.26369002       3.07744996       1.04599456       0.67897434       0.13804241
Cl       5.67101001       4.64809000       7.51320001       0.28280119      -0.68096219      -0.63359014
Cl      10.80669995       2.74090000       6.42376002      -1.67301097       0.80080026       0.22546457
Cl       0.35756404      11.04050005      10.60350003       1.04765450      -0.78937116      -2.08221146
Cl       3.90819005       7.61538002       8.75510999      -3.97462541       0.43149179      -0.31804663
Cl       8.56238000       9.93487998       0.11140506       0.28049402      -0.33227692      -0.42560416
Cl       1.67017001      11.37049997       7.62852002      -0.04735877      -0.21501482      -0.51733749
Cl       2.85970005       9.90468998       4.13527995       0.93578899      -0.16285216       0.18594036
Cl       8.13286001       2.06637996       8.76599999      -1.42181196      -0.00048884      -1.20886625
Cl       2.51247996       2.67023001       5.50898006       1.63749263      -0.24993037       0.38813722
K        3.82385001       2.27959995       8.54806001      -0.06157671       0.27176630      -0.23032715
K        4.70626004       2.25736998       3.62783005      -0.49814022      -0.76360723      -0.03761847
K        7.80187004       4.31227006      10.41940003      -0.02698681       0.00533195       0.12696075
K        4.65044999       9.97783996       8.26806000      -0.05259301       0.38427406       0.92805487
K        1.42209997       2.35906998      11.48030002      -0.27474086       0.67741507       0.23575982
K        9.72437998       7.21363999      11.09030000       0.04181947      -0.08543147       0.37423072
Li       0.90185604       9.16069997       3.49607006       0.40012821      -0.78827467      -0.42892639
Li       4.80442005      10.69319999       4.51245004       0.06105379      -0.36604855      -0.30270113
Li       8.19041002       9.43063997       3.83661999      -0.06179969       0.42098671      -0.04454228
Li       1.82901998       9.33391998      10.46289997       0.68951901      -0.37651751       0.03540591
Li       0.54683999       5.73875003       3.39393998       0.93017044       0.57132982       0.06622445
Li      11.00840003       0.03889351       0.73526694      -1.99031967       0.18785557       2.78856917
Li       7.40829000       2.93715996       6.24430004       0.76821621       0.08795194       0.38728372
Li       9.79760003       0.90290303       9.14856002       0.65460046      -0.30565898      -0.01034917
Li       8.30476000       7.75565000       7.59887998       0.11926026       0.27323293      -0.85059138
Li       0.86771496       1.65585001       6.09833995       0.25820472      -1.31640355       0.14794278
Li       7.09598001       0.12650604       6.63749995       3.69635073       0.14877971       0.20547978
Li       4.15960000       7.71730001       4.29178995      -0.60242009      -0.06032763      -0.39820729
Li       7.05896004       5.49998995       4.95252004      -0.82588983       0.56637714      -0.35406114
Li      10.36319995       5.00164003       6.99207005       3.21742376      -1.20806949       2.64287488
Li       5.56835000       8.45947998      10.84810003       0.75740218      -1.25821412      -0.53728970
Li       7.18344999       1.28970994       0.40337599       0.80935745       0.05687992      -0.00331147
Li       4.79107997       4.91188001       1.44472999      -0.08190341       0.02852017      -0.04963840
Li       1.88726998       5.95968004       8.48998005       0.21712162      -0.07561958       0.24880070
Li       5.03271998       6.12032002       9.03012998       1.49660784      -1.89552719       0.90863948
Li      10.93680006       9.38054996       8.45454001      -0.05027781       1.20324101      -0.40303010
Li      10.25510006       2.42099999       3.53117000      -1.05010615      -2.04163487       1.30374411
Li       6.71575005      10.42239996       0.92348497      -0.83609640      -0.44079115      -0.06290972
Li       1.40113997      11.04700003       4.96386002      -0.29983628       0.47245158       1.37980672
Li       2.68424004       4.70959995       5.20785000       0.60842911      -0.17844200      -0.76272534
60
Lattice="11.50542303 0.0 0.0 0.0 11.50542303 0.0 0.0 0.0 11.50542303" Properties=species:S:1:pos:R:3:forces:R:3 energy=-446.80715267 stress="-0.006621346162636503 -0.002914788887425014 0.0006252168999319354 -0.002914788887425014 -0.022448448144275907 9.464565144152677e-05 0.0006252168999319354 9.464565144152677e-05 -0.013447446267966415" free_energy=-446.80715267 pbc="T T T" config_type=melt 
Cl       2.73306998       4.72398000       1.32241998      -0.76135822      -3.42407882       0.75978272
Cl       8.25344996       6.41499001       9.75400000       0.97540209      -0.42131285       0.01661073
Cl      10.70910003       3.37943003       9.11472004       0.03518383       0.80663714      -0.13562432
Cl       1.79741999      10.32820000       5.13119006       0.62771948      -0.19044658       3.34342681
Cl       3.74164998       8.02514002       5.00145997       0.15775372      -0.70162659       0.24055142
Cl       2.73135003       2.19819000       7.40782000      -0.83280653      -1.05382634      -0.15358379
Cl       0.80166601       3.90953998       5.35491002       0.84906117      -1.68148531       0.58343319
Cl       4.10136001       9.79805001       8.32089003      -1.08959962       1.33413686       0.86944151
Cl       1.50455002       8.06464999      10.20190002      -1.25182105      -1.77196913       0.26175678
Cl       7.32673001       9.74165997       7.24366995      -0.04636230      -0.20445788      -0.81721078
Cl       8.85370997       5.15130004       4.88981997      -0.28074613      -1.50218250       0.54277423
Cl      10.85190004       0.98870403       5.73403004      -0.40019363       1.09117149      -0.13167811
Cl      10.00990005       8.21412005       5.74695995      -0.16752457       0.78136947      -0.35042970
Cl       2.09158995      10.41540006       0.69975005      -0.68964352      -1.57616048       1.29662802
Cl       0.87310997       6.58967996       6.71921997       1.14517331       0.44863020       0.23356230
Cl       6.32244004       5.91625995       1.80208003       0.40843090      -0.09484227       0.40008469
Cl       5.86188003       2.21601006       7.05869001       0.76858257       0.00502659       0.18817891
Cl       4.90757998       7.62345004      10.78510002      -0.47666086       0.43631670       0.20540533
Cl       4.88087002       3.86014996       9.87774002       0.41049312      -0.16425180       0.88327296
Cl      11.45159997       0.20663003       9.23820003      -0.26573829      -0.40356915       0.14128092
Cl       2.90667002       1.22904001       3.46532998       0.36561434       1.88979384      -0.38938072
Cl       9.97483003       7.59365997       1.60804003      -0.19066999      -0.82794420       0.42669411
Cl       6.05360997      10.86730005       2.54680006      -0.59815449      -0.74140270      -0.60593534
Cl       7.50260996      11.09749998      10.29450004      -0.30481859      -0.03064502       0.23454749
Cl       6.68781995       2.86147004       3.06595006       0.06105997      -0.80040540       0.37470590
Cl       3.56137001       0.95274797      11.29340006       1.60175315       1.42214695       0.31051158
Cl       8.57091001       1.87495998       1.00394998       0.22826711      -0.71384147      -1.30199156
Cl      11.00809997      10.94220001       2.98118006      -1.52226613       0.18582221      -0.53461167
Cl      10.28269996       4.07313997       1.96716996       1.82884815       0.09564188       0.26409026
Cl       6.10105005       6.12515000       7.21888002      -0.51473003      -0.14263456      -0.27218351
K        4.99496999       4.51458004       4.42080002      -0.42983661       0.85832616       0.53139536
K        0.64813097       1.46212998       0.35595996      -0.06003448       0.35603519       0.31513681
K        4.99829000       0.25354995       5.06857996       0.33392469      -0.54385143       0.89487109
K        2.76710003       4.85213005       8.20414001       0.20458366       0.78860274       0.22583684
K        1.41283005       8.99911999       7.63002999      -0.36413575       1.59094761       0.98803889
K       10.36819998       9.92594003       0.06125085       0.22230583       0.03489742      -0.25019260
Li       1.56408000      11.18750000       3.52488999      -0.92575062       0.24073073      -3.52711038
Li       0.44144997       4.54135005       3.54496005      -0.23453493       0.72165210      -2.30549150
Li       1.75912004       1.48268005       5.37434003      -0.23506083       0.14464555       0.28488490
Li       9.72746999      10.80170004       5.21901003      -0.08079483      -1.42699422      -0.11052659
Li       3.83337995       1.66797995       9.43283003       0.43295256       0.89817490      -1.43285613
Li       2.91499005       6.54822005       1.12892005       0.59459666       3.58632117      -0.76195326
Li       1.14517997       8.34911997       5.31058998      -0.20684097      -1.03998679      -1.03244998
Li       9.37358998       2.92293995       4.14955001       0.10240492       0.08197912       0.01165906
Li       0.29856998       1.60505000       7.52344996       0.25202427       0.40857474       1.16426422
Li       3.18931005       9.23355000      10.38629997       0.53877586       0.61439914       0.54436910
Li       8.17731995       6.98287997       7.49442006      -0.08400526       0.74079580      -0.20400300
Li       8.34140995       4.69972001       2.38758997      -1.42012636       0.46600601       0.01858589
Li       5.76037999       2.55728000       0.85709603       0.36435857       0.45245257      -0.52374546
Li       5.90621998      10.94590004       8.43046998       1.18879691       0.38716166       0.26974030
Li       6.61457999       4.24319000       8.52148996      -0.22798042      -0.02773615      -0.47300298
Li       4.22231997       0.65746405       1.82747997      -0.18486820      -0.90225967      -0.03659563
Li      11.29709997       4.96372000       6.84428001      -1.73554374      -1.13438667       0.62462562
Li      10.64920003       5.63941002      10.90170000      -0.45698095       0.21597444       0.17795043
Li       9.37027999       6.89359996       3.96816000       0.43769986       1.60446551      -0.83236751
Li       6.04200997       9.17420998       0.44331799       0.27187652       0.48448249       0.06883161
Li       7.90406995       0.34890897       2.47344999       0.66435178       0.52478387      -0.41911411
Li       4.74762997       8.32616998       7.10479995       1.15839927      -1.32950024      -1.30178172
Li       9.24235004       1.58789001       9.84531003      -0.06371995      -0.51158301       0.21951275
Li       6.60210996       6.30636996      11.17919999      -0.12708646      -0.33472100      -0.01262237
60
Lattice="11.50542303 0.0 0.0 0.0 11.50542303 0.0 0.0 0.0 11.50542303" Properties=species:S:1:pos:R:3:forces:R:3 energy=-444.48581592 stress="-0.02123734387848584 -0.0042450592286161016 5.0034471205785303e-05 -0.0042450592286161016 -0.022835269423499508 0.0022754182982520775 5.0034471205785303e-05 0.0022754182982520775 -0.020620942935431954" free_energy=-444.48581592 pbc="T T T" config_type=melt 
Cl       8.81132997       8.90489000       6.24215002      -0.38494517       0.22030905       0.46192555
Cl       3.02984006      10.74469999       8.42714997       0.21439050      -0.06938268      -0.39171310
Cl       7.06279998       2.80639001       3.07641999      -1.56621828       0.04918738       0.75221970
Cl       4.95752996       3.99726999       5.91396002      -0.39990449      -0.74653399       1.09421136
Cl       7.07586002       4.86326005      10.03260002      -0.27177428      -0.03034595       0.49684964
Cl       0.48000004       1.03015002       2.17678002      -0.47189553       0.06564300      -0.04050604
Cl      11.06620005       6.98911005       8.10124000      -0.57736620       0.59887436      -1.36143561
Cl       1.44904003       9.78545997       4.69869005       0.12644663       1.51822412       1.16846185
Cl       3.72409995       2.52987995       0.97775501       0.26100776      -1.06542966       1.79809836
Cl       9.77563997       4.09004005       7.89463999       0.61069263       0.22683521      -0.52156640
Cl       0.77858095       7.69320006       1.97365005      -0.90088625      -0.70636383      -3.01959736
Cl       8.69113995       0.61912304       1.34997006      -0.48347335      -0.39147749      -0.04641638
Cl       6.25224005       8.73780997       9.10318999       1.03637498      -1.39035309      -2.51175382
Cl       9.45111997      10.52260000       9.49016995       0.53936056      -1.70422285      -1.62991650
Cl       7.80954002       8.02536001       0.63624299       4.51860762      -0.37578301       3.61642154
Cl       0.56606405       2.76751998       5.15559996      -0.13290867      -0.42441837       0.83327371
Cl       4.42244001       5.25029006       3.43111999      -0.54697064       0.73406124      -1.50917397
Cl       9.55884996       3.88920001       1.50989003       0.25535292       0.85584714       0.19564101
Cl      10.71760000       1.67045005       9.78605998       0.30375861       0.71622216       0.52621531
Cl       4.96517003       0.33401900       4.95301995       0.82071684       2.92800956      -0.60084205
Cl       4.36767995       9.23660999       1.28128004       1.99775055       3.77233953       0.01223179
Cl       0.84405406       6.05181006       5.17024004      -0.58141981       0.47524634      -0.75885391
Cl       6.35380003       8.51970995       4.59143994      -2.21789787      -1.57237828      -0.07402876
Cl       6.84222997       1.83715995       7.68073002      -0.13934003      -0.65874417      -0.14038479
Cl       7.84097997       5.22704001       5.69121998       1.24494102      -2.16497979       1.19307292
Cl       3.44007995       7.02456999      10.25410001      -0.03032961      -0.04971481       0.40088749
Cl       2.52939005       2.87710004       8.29914996      -0.14932469      -0.25436191      -0.12394130
Cl       9.17479998       0.19433200       4.68220001      -1.36970441       0.79900906       2.58473426
Cl       3.22674996       6.77292004       7.02485003       1.40192606       0.23541038      -2.13248723
Cl       5.68715005       0.09647700      10.58849995       0.75274503       0.50168246       0.19274710
K        7.08085003       5.34949004       1.73366004      -0.39144444       0.52450089       0.01759184
K       10.54960000       7.37896003      10.56389998      -0.51112555       0.42087027       2.16005867
K        4.27477998       4.07724004      10.52009998      -0.10071136       0.74597037      -1.55642747
K        0.64809599       4.20519001       2.73346001       0.70429535       0.26648420      -0.38904540
K        9.64917996       6.62860004       4.73413998       1.90567171       1.40462648      -1.12615057
K        1.53744000       0.03764977      11.10019996       0.32659830       0.09555759      -0.09136472
Li      10.54240002       9.62939006       7.20977002       0.43168603      -0.10542730       0.59416225
Li       3.59907995       7.62259001       1.12999995      -2.23930297      -3.89463036      -0.27486115
Li       7.43417996      10.09100005       4.24340999       1.17977444       1.89310961      -0.10058019
Li       1.41307995       0.88791906       5.87475000       0.25759347      -0.52595393      -0.32659817
Li       2.66242001       5.06787997       5.44365997       1.34993873      -0.53385324       0.15631317
Li       8.13301004       5.41461005       8.29039997       0.29568820       0.45235810      -0.70124753
Li       8.99645004       2.22224001       3.61590997       0.91304998      -0.18117414      -0.24798330
Li       4.46135998       2.47310000       3.43364002       0.14184569       0.44790734       0.19797649
Li      10.33669997       2.05024004       0.80766896       0.57015822      -0.65344298      -0.70410553
Li       6.30730995       2.06199996       1.12669996      -0.32626677      -0.86171958      -0.48333682
Li       4.68378005       9.62668996       9.91780006      -2.13073981       1.37873842       0.94039139
Li       0.15836697       2.84874999       7.94581002       0.25930850       0.07992730       0.14531243
Li       1.40861999       7.97568005       3.73687005       0.86596715      -0.57545793       2.24145416
Li       8.43732997       2.76900004       8.81788001       0.10854175      -0.60825603       0.81210690
Li       4.35559005      10.13509999       5.42219994      -1.38101322      -3.11307671       0.44347185
Li      10.01229997      11.30770003       3.04733003       2.09819892      -0.57595336      -2.80673327
Li       7.10906996       3.28392996       5.84817995      -0.98021908      -1.07588694       0.12799739
Li       1.59831001       6.81844999       8.08621000      -0.58160792      -0.04266324       0.99870889
Li       7.23438001      10.28750002       7.89944006       0.88036382       0.54811431      -0.12818545
Li       8.20428004      11.19690005      10.89890004      -1.30414813       0.31000420       0.80085809
Li       4.73848995       6.90324001       8.34187005       0.78449615       0.14918555       1.06529397
Li       4.28854001       1.26507005       7.63937999       0.09652868       0.26789233       0.13847564
Li       6.52455006       6.51367996       5.40824996      -3.11395432       1.63683150      -0.63522121
Li       6.48974995       8.14631997      11.00869998      -3.96888399       0.03300616      -1.73270672
60
Lattice="11.50542303 0.0 0.0 0.0 11.50542303 0.0 0.0 0.0 11.50542303" Properties=species:S:1:pos:R:3:forces:R:3 energy=-445.28644943 stress="-0.02460386411725126 -0.003902269749060615 -0.0005646607672681376 -0.003902269749060615 -0.02159251416533964 -0.0014648552098008494 -0.0005646607672681376 -0.0014648552098008494 -0.01711564077517714" free_energy=-445.28644943 pbc="T T T" config_type=melt 
Cl       0.93918596       9.56310996       7.07281004      -0.00567960      -0.14536238       0.27350661
Cl       8.21094996       0.13662402       3.31591998       0.22550285      -0.52337581       0.10412764
Cl       2.47856001       5.49718999      11.10510000       0.00850131      -1.53250194       0.06217733
Cl       7.02698003       7.17413002       9.39605996       3.14100874       0.26117670       1.42135423
Cl       7.63838005      10.79670002       7.95434002      -1.29538435      -0.56501732       0.09297480
Cl       0.17842702       6.19947998       5.45667997       0.61889694      -0.01212647       0.85216734
Cl       5.19424001       8.59412001       4.86796002       0.17696847       0.01668078      -0.06481910
Cl       1.41480001       9.68254005       3.24776002      -0.01725338      -0.16873383      -0.04754992
Cl      10.99760000       7.64816001       0.30358600      -0.12149321       1.80852210       1.22757830
Cl       3.83452002       3.26868999       4.42365003      -1.11794487      -0.19533056      -0.43504062
Cl      10.63120003       5.33696996       8.73661997       0.55519668      -0.58469864      -0.85894003
Cl       6.73116997       1.96156003       5.57515005      -0.98803163      -0.06205635       0.67462367
Cl       1.93824004       5.96071000       3.15212004       0.52737132      -0.35660661      -1.64870954
Cl       5.44753995       5.42897998       5.77206996       0.06320921       0.16150468       0.91557235
Cl       8.18287995       8.13056997       5.36478995       1.21189892       1.53184357       1.15410243
Cl       9.15187001       4.23738000       1.93724999       1.58138467      -0.83953845      -1.95150345
Cl       4.54456996       0.20616303       2.64233005      -0.54637281      -0.44980369       1.24254994
Cl       8.28133001       4.94822001       4.45751003       0.39435915      -0.06513045       1.48489688
Cl       1.10060002      10.16669998      10.87689995      -0.36781584       1.61685039       0.39262756
Cl       3.14851999       6.52785004       7.57312003       2.12788577       0.07663856       0.17742304
Cl       5.44440000       7.06428004       1.57160995       1.90820875       1.43690198       0.20272150
Cl       1.40372006       2.68484995       6.13625998      -0.84071653      -0.07909216      -0.38141128
Cl       9.45231998       1.43628995       7.04159997       3.49305049      -1.65019824       5.05299201
Cl       3.78213997      11.11200004       6.59241997       1.77582101      -0.79597658       0.90711287
Cl       8.55079001       0.16727401      11.35059996       0.52991257       0.65433683      -1.25297160
Cl       2.16090000       1.77895999       1.02226006      -2.31423358      -0.92923482      -2.81545570
Cl       1.72405002       1.59787004       8.84220995      -0.22154058       1.32642771       1.10487100
Cl       5.48920005       3.76634004       1.44729995      -0.26523573      -0.42176042       0.02002934
Cl       4.89957002       2.31673003       9.08343000       0.54742914       0.76343974       0.17350034
Cl       4.89239995       9.46564004       9.97279000       0.72644383       1.66252658      -0.30081388
K        7.91315003       4.43204002       8.53985998      -0.39429913      -0.30852256      -0.23448336
K        5.86497004       0.54533404       0.39835801       0.00184959       0.43901520      -0.68589858
K       10.23489999       9.93287999       5.20027000       0.53050681       0.75793157      -0.14327667
K        2.67787996       8.10250997      10.49590005       0.06400577      -0.47385703      -0.22922592
K       10.41069998       1.43033003       1.53087995       0.21407068       0.31308444       0.25000463
K        8.47049999       9.00096005       0.35403901      -0.70984975      -0.61902136       0.05573943
Li       2.99772002       3.37176995       9.88968000      -0.29627482       0.00745384       0.45721847
Li       2.40502000       0.70542901       5.73273005      -1.10413520       0.89969253      -0.78285485
Li       0.11729296       2.84521000       7.91032004      -0.43713400      -0.01763706       0.00793832
Li       1.23280999       6.51680000       7.63578995      -2.84205627       0.20496552      -0.25404201
Li       3.94382005       5.80015999       1.50139005      -1.18079810      -1.34595285      -0.20910966
Li       6.06058996      10.71519997       4.21230001      -0.03146425       0.49800707      -0.40641517
Li       1.74611995      11.07520006       8.86422006      -0.10054576      -1.63052115      -0.15420214
Li      10.67859996       6.27558996      10.58529995      -0.36101328      -2.11924478      -1.05330454
Li       5.85039003       2.83437005       3.77017997       0.40610764       0.15280131      -0.61164625
Li       1.71713998       4.28572003       4.80754999      -0.24759281       0.33247760      -0.39396729
Li       3.11459004       9.02626002       5.00036005      -0.94997041       1.21826431       0.28033160
Li       9.62275005       6.44174001       5.60186000      -0.70348080      -0.43102746      -0.08826660
Li       2.93824999       2.96257003       2.17635006       2.31532257       2.49403464       2.54871241
Li       8.85484003       2.25625004       5.63481004      -2.07719343       2.85319754      -5.15924449
Li       8.97271999       0.34716705       8.96081004       0.99109676       0.56087491       1.15024784
Li       7.37824002       5.23759002       1.68622997      -1.25452656       0.25051087       0.04577782
Li       0.53241196       7.52078002       2.06055005       0.82482903       0.14401603       1.26635813
Li       5.49718999       6.68383999       8.47383001      -3.17628656      -0.56543965      -1.94656037
Li       5.27826998       0.18301400       8.79959996      -0.01804414      -1.18479514      -0.63409766
Li       6.68421001       9.42230003       6.82522001      -0.72899503      -1.22229656      -0.65118561
Li       2.45822004      11.30809996       1.40714004       0.10386400      -1.66495398       0.33612266
Li       7.05995998       6.73218003       4.60507997      -1.97066819      -1.42645363      -0.66748977
Li       4.69858995       3.20022996       6.93339998       0.26801526      -0.00175820      -0.94135534
Li       3.14240003       6.39896998       4.81443000       1.35331264      -0.05515087       1.06848093
60
Lattice="11.50542303 0.0 0.0 0.0 11.50542303 0.0 0.0 0.0 11.50542303" Properties=species:S:1:pos:R:3:forces:R:3 energy=-445.1755988 stress="-0.010589026914853358 0.0013254703085978272 -0.005372054384180414 0.0013254703085978272 -0.018673078418196827 0.0025976875245638338 -0.005372054384180414 0.0025976875245638338 -0.005030087747739029" free_energy=-445.1755988 pbc="T T T" config_type=melt 
Cl       4.59692999       5.66691005      10.68580005       0.84133192      -0.08085034       0.62467599
Cl       5.90810997       9.77777998       4.76288996      -5.80894701       1.38220210      -3.06793344
Cl       1.93531996       9.59627998       4.77495996      -1.28685589       2.04406498       1.42786284
Cl       0.16027699       4.37081000       2.61846998      -0.05838594       0.76073955      -0.31313085
Cl       2.74955000       2.06931005      10.76900002       1.04266898      -0.08548378      -2.01415088
Cl       3.91827996       7.29216001       7.50531005      -0.14695950       0.00151321      -0.27483628
Cl       1.29348004       6.26981999       5.47627003       0.02289810      -0.04740818       0.10780212
Cl       5.29220995       3.14025001       7.52555005       0.14926715      -0.25771851      -0.65945024
Cl      10.98450005       0.24275902       8.48512005      -0.67645455       0.58747899      -1.79338691
Cl       7.16730006       8.07074004       7.45241997       0.77707149       0.11575300       0.51521819
Cl      10.46520002       8.69339996       9.30523995      -0.49089262       0.19086090      -0.07854744
Cl      11.05720005       0.71405704       0.17547703      -0.77802305       0.48486568      -0.04412872
Cl       7.36944999       8.89697001      11.39770006      -0.24056541      -1.32028389       0.29799207
Cl       6.76885000      11.45000003      10.29400001      -0.19284751       0.60873804      -0.57767400
Cl       9.45077998       4.25621000       5.97103002      -0.03266923      -0.44563047      -0.63262351
Cl       5.84139002       5.56442998       4.13742997       1.20045596       2.28987833      -0.33559099
Cl       1.92744001       1.91517005       6.32841999       0.37421475      -0.37286507      -0.30695828
Cl       7.36468997       2.19268005       2.10764002       0.59013272       0.58017233      -0.22656329
Cl       9.26200004       8.32278003       3.82912996       0.19491535       0.32516557       1.23533865
Cl       0.58253499       5.65842998       9.37385001       1.59880585       2.08667987      -1.78803113
Cl      10.97409995       1.68579000       3.99965000      -1.06321183      -3.27927734      -1.42984318
Cl       4.43831001      10.37740006       7.91329005       1.38345188       1.06691426      -0.11267459
Cl       8.23295005       4.28681005       9.85855001      -0.16396788       0.93132040       0.23186225
Cl       8.45576005       5.79267997       1.66960003      -0.53031857      -0.01640659      -0.18330074
Cl       2.59512997       9.70181002      10.48050004       0.13914907      -0.36038429       0.08236440
Cl       3.55292997       3.84532994       3.21792001       3.91895229      -3.40807118       2.44483770
Cl       2.40248995       7.87721998       2.46365002       2.36470584      -1.62477877      -1.07392168
Cl       8.25673004       0.22077699       6.41524002      -0.03512544      -1.33712045      -0.25884253
Cl      11.34570003       9.20227999       1.22446004      -0.41041235      -0.16447113       0.24117879
Cl       3.71500997       0.18058498       2.31558006       0.46634792      -0.11730969       0.42665032
K       11.03170001       4.06740003      10.85429996      -1.13770491      -2.20102088       2.01517641
K        6.45947999       1.41906001       4.64635004      -0.58870634      -0.39220645       0.40494003
K        9.86293001       6.93865002       6.73078005       0.72079442       0.19922054       0.41069369
K        8.88774002       2.11267997       8.26350995       0.05286883       0.78370678      -0.19985570
K        1.87233996       2.27188005       1.64652003      -1.04113462      -0.84107665       0.77257655
K        6.19980006       2.48949994      10.78700002      -1.25810998       1.68848834      -0.42672690
Li       3.29483998       8.08092004       4.87498005       0.54854830      -1.30397701      -0.19202517
Li       7.41658000       6.60970998      10.27150001       0.32446426      -0.42426735       0.21791446
Li       8.84896996      10.93120002      10.30560001       1.55819391      -0.84577151       0.01925195
Li       3.83411998       0.93040605       8.20446999      -0.53316447       1.26977128       0.10520564
Li       8.02219003       8.40226996       2.03768003       0.15637620      -0.76730113      -0.29130376
Li       2.67484000       9.49588999       7.54653997      -1.24375207      -1.04091369      -0.14375538
Li       9.70503004       5.16280995       3.65545997      -0.17383819       0.08363836      -0.19325916
Li       4.81704001       7.85726002      10.57879996      -0.61873455       0.47566822      -0.05530040
Li       2.77169000       9.83439000       1.37690000      -0.43172420      -0.00951588      -0.35451047
Li       7.41946004       9.36573995       5.46722998       5.76354253      -1.43353559       2.36281226
Li       0.59279299      10.90430000       9.91239999       0.84552611      -0.84882426       1.54871408
Li       5.36739996       3.96018996       5.12522001      -1.20451083      -1.26327523       1.42914905
Li       0.59218596       8.23912996       3.28927998      -1.38740695       0.20168751       0.39656965
Li      10.45009995      10.99890000       6.12273996       0.22040607       0.50914684       0.27103845
Li      11.44322770       7.65284996      11.04330001       0.25999370       0.11292166      -0.25891909
Li       6.75983999       0.46907702       1.15592005      -0.79595810      -1.35969794      -0.36667111
Li       9.94843003       0.93476500       2.04809002       0.26244602       0.24775500       0.38585730
Li       2.36413996       0.33830396       4.39987005       0.00167412       0.19304995       0.25594368
Li       2.64259996       5.45609998       7.68009998      -0.77825768      -0.10616433       0.06610055
Li       2.42416997       4.90465000       2.38804996      -3.62278007       4.07679363      -2.00919461
Li       0.02116285       3.19549997       5.04586998       0.97275061       2.12686374       1.58061526
Li       6.59213004      10.09040005       8.30506996       0.10130757       0.18457395      -0.11551050
Li       5.86629995       4.71771001       1.64993001       0.18602818       0.54990707       0.39946056
Li       5.80640997       6.81164005       6.37284001      -0.30787032      -0.40393252      -0.49918197
60
Lattice="11.50542303 0.0 0.0 0.0 11.50542303 0.0 0.0 0.0 11.50542303" Properties=species:S:1:pos:R:3:forces:R:3 energy=-445.71740663 stress="-0.019455912847133716 -0.0029747127364898322 -0.003510578326371744 -0.0029747127364898322 -0.024514752593498838 0.0007101559810752171 -0.003510578326371744 0.0007101559810752171 -0.019853075651620443" free_energy=-445.71740663 pbc="T T T" config_type=melt 
Cl       9.79067998       9.94813998       9.60986995      -2.41650625      -1.48325455       1.71549365
Cl       0.93253398      10.52870006       0.13217096       0.11021438       0.67772798       0.65536065
Cl       7.29727003       5.13617996      11.41026938      -1.02953277      -0.74892905       0.19265584
Cl      10.63240004       7.33715001       5.29191000       1.32235177       1.34480858       0.50787085
Cl      10.54579999       0.71513303       6.09735002      -0.04526455      -1.20960089      -0.69035050
Cl       2.02217003       5.31556999      11.29730304       1.43248590       1.77886604      -1.32122030
Cl       6.02193001      11.17679996       1.40428003      -0.32551978       0.42627209       1.15280892
Cl       3.87729995       8.58692003       0.96415503      -0.51082252      -1.69645529      -2.53952283
Cl       7.22857000       1.19172999      10.06889998       1.76529823      -1.19486459      -0.46780047
Cl       9.87877999       6.75458005       0.82119704       1.59302684      -0.41578224       1.45606661
Cl       5.50590006       8.14131005       3.88659000      -0.02714813       0.22997972      -3.14469906
Cl       4.35678995       2.54938003       9.68846005      -0.02178783       0.06220959       0.56708370
Cl       8.92171001       6.58174996       8.47025999      -0.39699743       2.22155140       2.24913616
Cl       7.37786000       3.26615995       7.28934003       0.37469771      -1.00909263       0.56581856
Cl       3.22922996       9.65102002       8.76238003       0.07918354      -0.66110703       0.23361029
Cl       5.30574999       4.29353003       3.53333002      -0.18952822       0.04817899      -0.44732017
Cl       2.07690995       8.46323006       5.62040997       0.48612039       0.89584755      -0.47316050
Cl       4.21906003       6.33110996       7.62538997      -1.45017502      -0.07124934      -0.54571295
Cl       9.21312995       0.53012502       1.90169996       0.27890407       1.16432905      -0.16681558
Cl      11.25979997       4.82715995       8.64861004       0.67668073      -1.64269586      -1.75024690
Cl       9.12929005       4.47967005       3.91830999      -3.17641926       0.29768846       0.40326646
Cl       7.38810995      10.06480002       6.28185996       0.25109553      -0.57995623       0.26326126
Cl       7.49226003       8.80248000      11.22200005      -0.07341467      -0.28720902       0.58102788
Cl       2.97763006       3.38948002       6.95207996      -0.80351170       0.17463330       1.10477614
Cl       1.34329001       4.49842999       4.15376997      -0.05232273       0.84937960      -0.31255030
Cl       0.72675500       7.81724002       9.71498005      -0.33289133      -0.17004080      -1.30121622
Cl       4.56348004       1.25036002       5.07412005       0.13202938      -0.02910656       0.29053505
Cl      11.20930002       1.59529996       9.43657999      -0.22509243      -0.51923621      -0.02936651
Cl       6.88586003       6.20646998       5.89983999       1.45567283       1.05443318       0.24449180
Cl      11.48870001       2.86624997       1.69872002      -1.55571131      -1.28198917       0.34670577
K        9.69989000       9.67364003       2.94452999       0.39317591      -1.47519706       0.65563253
K        7.71086997       1.13986999       4.26173997      -0.63144502       0.01970953       0.63447876
K        3.79646998       1.32422000       0.69484506      -0.65464662      -0.17119240       0.53992852
K        5.80024997       7.19905997       9.51859996       0.72832965       0.07320433       0.74037106
K        2.39490995       0.40317695       7.45539999      -0.28134523       0.73802380      -0.67722021
K        5.46253002      10.51530003      10.24830001      -0.31898358      -0.05347195      -0.47608050
Li       5.48089003       7.94009999       5.76359001      -0.25472420       0.05369484       2.71898823
Li      11.29724908      10.21239998       8.56601997       3.05327117       0.24705477      -1.35359304
Li       8.65477004       8.12339001       7.03112003      -0.15027203       0.93539612      -0.60064776
Li       9.18687998       4.71616000       1.09100001      -0.28057020      -0.23888327       0.27965997
Li      10.57629995       2.34158001       7.27988004       0.31810994       1.35610841       1.19998413
Li      11.33745605       5.90488005      10.31450003       0.22712099       0.58786518       1.35450073
Li      10.82370002       3.93949999       3.39144998       3.13657113      -0.65134090       0.03638629
Li       2.38190997       5.32748005       8.80495999      -0.14661806      -0.83816694      -0.01995956
Li       8.08226997      10.96869999       0.46937903      -0.70693931      -0.25932294      -0.96029303
Li       8.64814004       5.11058005       7.27808002      -0.29425064      -1.72844354      -1.24346415
Li       9.23095001       0.20737904       8.84486000      -0.74379306       1.69998421      -0.43967938
Li       9.00183999       6.51382999       4.73842000      -2.32300465      -1.01548299      -0.83389907
Li       5.36249002       5.89865999       1.66848999       0.26580034       0.09460343       0.50641814
Li       3.23904006       3.66016995       4.92278002       0.64716464      -0.22026646      -0.98542099
Li       9.23625999       7.48237998      10.56860006      -0.69556660       1.09744902      -1.29716582
Li      10.90150004       1.09697996       0.58607693       0.43530795      -0.81019284      -0.98516837
Li       4.84986003       2.35417005       7.48285998       0.54429760       0.04486324      -0.37101336
Li       4.20713995       9.37650005       2.66014999       0.84360997       1.37894828       2.18030352
Li       1.44986003       7.20812003       4.02005003      -0.36449772      -0.85671218       0.15204015
Li       1.29865000       3.91352995       0.81059295       0.71147344      -0.37952687       0.33990886
Li       2.21962000       8.63819004      10.95553008       0.18053606       0.77808751       0.25609044
Li       6.43500001       2.83927999      10.91789998      -0.38912870       1.37670434       0.00652474
Li       2.17394002       7.62618005       7.56522995       0.25359152       0.30030414       0.57594250
Li       6.54227002       4.18541000       5.63229000      -0.82769007      -0.30913689      -1.27354059
60
Lattice="11.50542303 0.0 0.0 0.0 11.50542303 0.0 0.0 0.0 11.50542303" Properties=species:S:1:pos:R:3:forces:R:3 energy=-447.87130861 stress="-0.014444615162618156 0.0040630580957732075 -0.002263628667973633 0.0040630580957732075 -0.024642373086361795 -0.004801496689022215 -0.002263628667973633 -0.004801496689022215 -0.011806689983127235" free_energy=-447.87130861 pbc="T T T" config_type=melt 
Cl       0.02626849       5.76549001       5.06443997       0.09388802      -0.12679220      -0.04053098
Cl       7.60652004       8.08261997      10.34650006      -0.09529262      -0.16537548       0.28761125
Cl       1.41968003       0.90189504       9.86038006       0.14404579       0.24335197      -0.14808956
Cl      10.52870006       2.94388994       8.83485005       0.10318131       0.58872458       0.29159959
Cl       9.69263997       0.78808995       6.81670002      -0.16291583      -2.69610462      -0.27399386
Cl       6.33935002       4.36909005       3.35656001      -0.93925410       0.82361590      -0.44518302
Cl       7.60095003       3.13898004      11.37930001       1.33892160       0.90101123       0.34886207
Cl       0.52800296       9.23919997      10.72780002       2.29593203      -0.36225457       1.64893612
Cl       5.97592006       4.97509000       8.55622000       2.01038398       0.93866185      -1.50663492
Cl       3.41512998       6.24326996      11.47602046       0.23665103      -0.36655063      -0.37074555
Cl       7.27820002       0.26668800       9.75842004       2.05460097      -7.18028448       1.87179401
Cl       8.36354006       1.75891996       2.68184001       0.66497738      -0.04275252      -0.08333818
Cl       2.17310001       2.47537002       4.44495002      -0.97788388       0.63498356      -0.11171728
Cl       3.29972000      10.23070005       0.70335504      -0.53545728       2.72752237       0.50740054
Cl       0.29957498       1.00426995       1.48187996      -0.02700882       1.01716539       0.03753308
Cl       6.80686000       8.38229999       6.25769005       0.24713663       0.95956778       0.02890405
Cl       1.84044003       8.97235999       3.68272000       0.20296666       0.20072023       0.40112539
Cl       5.14467004       0.03680067       4.28045998      -0.44574570      -0.27991842      -1.09845858
Cl       8.70525998       6.27445000       3.17355004      -0.00060824       1.50322387      -0.86960150
Cl       4.07750996       6.14482001       5.28130005      -0.36955094       0.16321402       0.41838736
Cl       2.29708003      10.90430000       6.65892005      -1.66711681      -0.09734442      -0.10501507
Cl       5.11473006       7.44172004       2.54426001       0.45916886       0.24104510      -1.59810842
Cl       5.49016996       1.07020005       7.05155999       1.54820604       0.85630963       1.81067532
Cl       8.41137995       4.99127997       6.29179006      -0.02257189      -0.85826055       0.61376858
Cl       0.43819197       7.37745006       8.02009996      -0.46378268       0.25074934      -0.16681376
Cl       4.55947006       3.00178995      10.96020002      -0.96424966      -1.43635929       0.52292733
Cl      10.27900005       9.78154997       2.82711002      -0.24634344       1.11669282       0.38822485
Cl      11.11939998       5.18216000       0.75500197      -0.54177895      -0.74687507      -0.09554316
Cl       4.23090003       8.80691005       9.43502998      -1.41402128       1.09400797      -0.39186597
Cl       2.43361995       4.99306999       8.20255998       1.76581134      -0.46376576       0.16705264
K        9.88480999       9.68292997       9.64139999      -2.13659693       0.59867409      -1.27932627
K        4.32922997       3.16883005       5.91351004       0.39672952       1.50231128       0.07693227
K        6.26727004      11.09150002       1.21787998      -0.01587718      -0.14504924       0.12162140
K        1.91669003       4.89570005       2.87607997       0.14539795       0.63521601      -0.36044521
K       11.23880004       9.42609004       6.01416995      -0.10737435       0.11501333      -0.49043149
K        8.90339004       5.58780003       9.33443001       0.02756541       0.06398926       0.15338078
Li      10.18079999       2.80310004      11.15510004      -0.05535090       0.40420392       0.27475923
Li       5.69122999       7.44127996       9.34343001       1.28807081      -0.98824597      -0.24461441
Li       4.17811004       8.48085004       0.57479299       0.75122128      -2.49004693       0.06703377
Li       6.35315998       6.34355997       6.32016001      -0.40019339      -0.96426388      -0.18094125
Li       0.52851104       4.39490995       8.06802005      -1.02647545       0.37804638      -0.15975291
Li       2.33263995       0.47703405       4.18985006       0.51759485      -1.74239832      -0.04661074
Li       7.45556003       0.32792998       7.82296995       0.31962547      -0.21886644      -2.47658329
Li      10.12359998       7.85860996       2.29868998      -0.07635878      -1.81189288      -0.53981709
Li       9.81151998       0.33235198       2.38351003       0.70288162      -0.32848244       0.03726562
Li       4.83013997       8.65988996       4.15576996      -0.20689525       0.37854410       0.95148259
Li       6.56863999       2.42318004       3.37715000      -0.78997319      -1.43680323       0.59831738
Li       2.35307002       7.04026005       9.37704000      -0.10937311       0.14848260       0.28334266
Li       6.82947000       1.90059003       9.83507998      -2.52283588       6.93414485       0.18946584
Li       1.33459996       1.05713000       7.71191006      -0.27833303       0.26616548      -0.14910980
Li       4.28138996      11.04859998       6.63836999       1.10597686      -1.15043961      -0.60419309
Li       1.07046997      10.50130001       1.32140002      -0.01603433      -1.34691469       0.00849757
Li       5.45392995       4.53287999       0.79739404       0.30661088       0.44721560       0.63843157
Li       8.99329997       4.37896999       2.35170996      -0.01770144      -0.67321686      -0.47362994
Li       9.69044002       2.74186001       6.70806995      -0.42626229       2.27360689      -0.26361148
Li       2.49840997      10.44609998      10.00940003       0.02542504      -0.65758619       0.07286175
Li       1.87469996       6.85559997       5.67748998       0.38140758       0.08734524       0.19680390
Li       9.34975995       6.51953001       5.11717001       0.34463656       0.03673671       0.54841867
Li       4.46569004       4.69434997       9.67540001      -2.76712464       0.08071005       1.06864501
Li       2.21595000       1.68582003       0.26160202       0.34732680       0.16587129      -0.05735541
60
Lattice="11.50542303 0.0 0.0 0.0 11.50542303 0.0 0.0 0.0 11.50542303" Properties=species:S:1:pos:R:3:forces:R:3 energy=-444.80039793 stress="-0.006107648584407556 0.00454913330114672 -0.0010248999696301148 0.00454913330114672 -0.023342586375605667 0.005281951902265581 -0.0010248999696301148 0.005281951902265581 -0.016549694893663" free_energy=-444.80039793 pbc="T T T" config_type=melt 
Cl       0.57196495       6.59239995       3.74106999       0.38094232       2.18226509       3.57907662
Cl       7.47142003      10.12250006      10.91330000       0.20335955      -1.44462343      -1.61779186
Cl      10.68190006      11.50420000       9.09593997      -0.35646899      -2.40860956       0.79446744
Cl      10.41149995       2.64105996       8.51139004      -0.39215504       2.33129492       1.30372582
Cl       7.64417004       0.31990196       6.21554995       0.71959729      -0.01856007      -0.13643288
Cl       2.01651005      11.44350004       7.56646000      -0.16403787      -1.67863611      -0.12524774
Cl       6.41624997       4.13672998       1.03765006       0.72158195       2.44896690      -1.04873445
Cl      11.02120004       8.12569995      11.08380001       0.65852204      -0.78311133       0.09625557
Cl       7.83393002       5.36925003       9.61908005      -0.58736742       1.88617893      -0.91098294
Cl       2.82963005       7.73933001       1.10330000      -0.06147358       0.45973443      -0.17933836
Cl       4.63697001       5.16919005       5.57529996      -0.24753854       0.88148666       0.87564451
Cl       9.96409006       2.73803998       2.74884000      -0.13820522      -0.04184640      -0.05704394
Cl       9.59932995       4.30430002       6.23423004      -0.71546969      -0.06699918      -0.21084453
Cl       2.97419995       0.55509904      10.57190004       0.45168915       0.19216910       0.54655949
Cl       1.52236996       0.65731805       2.92256004      -0.95625178      -1.28967508       0.93489703
Cl       6.37798006      10.88009995       2.70354005       0.75733505      -2.00144646       1.48645875
Cl       8.10614004       6.42948995       3.71405997      -0.34701606       0.17822046      -0.59802880
Cl       7.80611002       1.76704003      11.31110000       1.27613460       0.20566183      -0.61070193
Cl       6.09986004       8.16061005       1.69218000      -0.22637566      -1.51479656      -1.40688114
Cl       6.37632006       3.01393001       4.31171999       3.30437879      -0.38241441       3.26575533
Cl       3.87354999       9.52402995       4.83926998       1.27790555      -0.03294456      -1.29249700
Cl       2.80006997       2.27080003       5.86892998       0.17539059       0.28129551      -0.68711828
Cl       5.99556005       2.12753002       8.53958005       0.00299376       0.36405215      -0.30275347
Cl       2.46327000       7.22549000       7.71099998      -0.83929292       1.13428582       0.41789114
Cl       9.82178995       7.99915997       6.74693999      -0.11196273      -0.07237283       0.45021421
Cl       5.32204995       1.72491005       2.07213002      -2.21658174       0.06546686      -1.28842381
Cl       9.74341996      10.23160000       1.94353000       0.13353524      -0.37806483       0.41899104
Cl       2.30723000       3.52366996       1.78219003       0.80440808       0.04175321       0.05459123
Cl       5.47386999       9.38740995       8.31450003      -0.15110451       0.15981397      -0.24407984
Cl       3.18066004       4.32068996       9.31477001      -0.20912813       0.05313086       0.48549745
K        6.83742002       8.41120001       5.83787005      -0.20757535       0.37636421       0.13860673
K       10.69120000       6.16393996       8.94793996       0.24331520      -0.71275162      -0.53523711
K        5.03717004       7.35818998      10.46120004       0.06579718      -0.19958080      -0.19102749
K        4.48176001       6.68760998       3.22513000      -0.65513642      -0.86012365       0.27849381
K       10.46729999      10.04560000       4.92163995       0.11319860       0.48280278      -0.38833672
K        0.38107204       5.42115997       1.69335999      -0.85576705      -1.30941187      -3.25532108
Li       3.16806000       1.27608004       1.80269004       0.48588878       0.48427829      -0.93848192
Li       4.24266996       3.28347998      10.94270004       0.18134619      -0.61977164       0.42005571
Li       1.01202000       8.99763004       0.96308698      -0.05482603       0.28654777       0.25689241
Li       8.02799003       8.08598001       2.07261003       1.82984516       0.37988395       0.33039901
Li       7.67627006       0.62832105       8.97666002       0.52437798      -0.25954573       0.30649462
Li       4.57804004       9.42784001       1.93407001      -1.04160438       1.38500661       0.16659168
Li       5.10024001       1.70135005       5.37685005      -0.39593152      -0.08424604       0.48204477
Li       8.19761000       4.22904995       2.71315996      -0.12922021      -0.23047154       0.06196343
Li       1.42338996       2.84288004       3.97628996       0.27257182      -0.25286053      -0.29102991
Li       2.73813996      11.08570002       5.53985003      -0.62518314       1.61474362       0.00434081
Li       7.50833000       1.11820999       3.28327001       0.04565465       0.72801961       0.36963583
Li       3.07797000       5.23989997       7.40012000       0.60488521      -0.92996392      -0.86036900
Li       7.29568999       0.00811708       0.83920095      -0.35723904       0.41462708       0.76667984
Li       1.30848001       9.15957002       8.15083999      -0.03162245       0.83052183       0.36296443
Li       2.84746000       8.05892996       5.73205997      -0.71545345      -1.42249712       0.36531232
Li       9.30596997       8.97098003      10.28449998      -0.79397260       1.15868684      -0.45580395
Li      10.43740004       0.38732800       0.67249704      -0.06980099       0.58902345      -0.33949341
Li       0.85201305       1.77014995       8.45085000       0.74204764      -0.68510273       0.33962153
Li       9.55468005       1.94868995       6.70438005      -0.60771584      -0.11824642      -0.63477666
Li       4.92308998       0.09141933       8.82124995      -0.79517186      -0.13184684       0.34600654
Li       8.50006997       3.61965004      10.21850004       0.52976115      -2.07462553       0.70989110
Li       9.39773998       6.22223000       5.38319000       0.89672600       0.23112852       0.00504096
Li       7.31312002       4.27174002       7.59069997      -0.08824915      -0.27595939      -0.25483527
Li       5.54272006       3.79161998       2.83127003      -2.25829015       0.45369496      -1.55944767
60
Lattice="11.50542303 0.0 0.0 0.0 11.50542303 0.0 0.0 0.0 11.50542303" Properties=species:S:1:pos:R:3:forces:R:3 energy=-447.13004347 stress="-0.018479801942944442 0.006266142296463598 0.006014502099767502 0.006266142296463598 -0.018473408939909057 -0.0028182274234818247 0.006014502099767502 -0.0028182274234818247 -0.01417554590745405" free_energy=-447.13004347 pbc="T T T" config_type=melt 
Cl       7.86590002       6.82004004       2.94372001      -0.45073324      -0.00758948      -0.04905970
Cl       9.44180000       7.28729000       8.47872004       1.82520144      -0.81647883       0.40475258
Cl      10.35360006       1.23583005       2.65807004      -0.30486958      -0.32070141      -0.25710637
Cl       5.10769000       9.00969002       2.20719000      -0.16781712      -0.12378141      -0.34160180
Cl       4.69124006       5.00145997       8.85235003       0.54447739      -2.24864547       1.38356319
Cl       4.99009998       5.31786002       2.28267996      -0.65291400       0.20634781      -1.51263200
Cl       0.95985004       3.96343001       9.11083005       0.07532227       0.01804780       0.21347992
Cl       9.34961004       3.63818999      10.63460000       0.01396348      -0.38250413       0.34256977
Cl      10.79270004       9.85518996       4.43453002      -0.06190449      -0.12679510       0.07999565
Cl      10.69220006      11.46743396      10.20419995       0.14338865       1.05798078      -0.46428997
Cl      10.69960000       4.32149005       5.70457996      -0.16679053       1.25766580      -0.07421171
Cl       0.89576806       9.48026999       0.38751703      -0.31171038      -0.12635181       0.81702195
Cl       2.73883006       6.65619005      10.65810005      -0.50539920       0.85037223       1.06625733
Cl       3.03370001       7.15582995       6.88457005      -1.55466315       1.57520504      -0.13375528
Cl       2.98956003      11.15650002       3.90121006      -0.86031931       0.13709516       0.06791843
Cl       6.93267997       6.79532996      11.45993588       1.94319311      -0.13735991      -2.30111442
Cl       7.24777002      10.69259998       4.23023996       0.02738886       0.56388443       0.09078808
Cl       7.30382996       8.05734002       6.20761995      -0.71969785      -0.26135656      -2.05266538
Cl       0.04947700       6.96238997       3.52555006       0.22912298      -1.27126305      -0.33174469
Cl       2.23982996       2.28246998       6.32033996      -0.73473090      -1.38910851      -0.01728454
Cl       9.99205997       0.95242398       6.28563995       0.45169529       0.60475049       0.62916319
Cl       4.97495999       1.68153000      11.01959998      -0.36141047      -0.87138011      -1.01088372
Cl       5.32928997       0.43677600       7.87041003      -3.66761133       0.27258551       0.08215344
Cl       1.69059996       4.00613998       1.43832998       0.03413034       0.37640196       0.05699306
Cl       8.19195002       3.69276999       2.82481998       0.51752013       0.48125799      -0.73938805
Cl       7.51150998       3.28375002       6.38846000      -0.78974316       0.44008046       0.50836413
Cl      10.70710004       6.62873005       0.40319397      -0.00138840      -0.44561964       0.19585183
Cl       7.97165005      10.05229995      11.23100005       0.11550954      -0.25741293       0.22084397
Cl       4.14519003       4.87531003       5.51410998      -0.17566187      -0.85912184       0.67268118
Cl       5.48256004       1.92246000       3.21581003      -0.70300980       0.26637468      -0.14396003
K        7.59257995       1.23986005       0.46608894       0.77985896       0.57001837       0.50594200
K        3.47093002       9.97106004      11.11380006       0.93499511       0.04228053      -0.12211939
K        1.45104002       1.22473997       1.28312999      -0.23128389      -0.85124323       0.04713159
K        0.24077594       9.03233005       8.84019995       0.16246024       0.26722456      -0.12504720
K        7.70597004       0.23750702       7.83949001       3.36234807      -0.28436615       0.09273230
K        4.72815003       7.50613005       4.67350997       0.03501374       0.04101164      -0.01993811
Li       5.23549995       4.26309001       3.94110005       1.27168421      -1.63364957       0.31218457
Li       7.64903005       8.01124999       8.10757005      -0.94400882       0.36826002       1.76901021
Li       1.61754995       6.93409997       1.85162997      -0.41026826      -0.28044832      -0.74136943
Li       9.61300000       6.15501002       5.99589002      -0.35854748       0.43556360       0.50614150
Li       5.33378997       6.99167000       0.99234699      -1.77155232       0.71939493       0.96212353
Li      10.09050003      10.47090003       1.11428998       0.47298300       0.50027392      -0.08816840
Li       8.19241001       2.37840001       4.47953003      -0.00282370      -0.07060831       0.53637995
Li       1.00498996       8.44902006       4.54192003       0.14147055       1.22336630       0.66437919
Li      11.11869999       2.13798005       9.03874996      -0.60641936      -0.12489790       0.25032530
Li       9.62680996       5.88594995       2.97488003       1.30696642      -0.89134497      -0.00830479
Li       3.64633997       6.66747997       8.76096003      -0.38081464       0.97654872       0.26306993
Li       5.87916003       4.81434003       7.26939998       1.09508140      -0.41346304      -1.86983281
Li      10.93320001       4.14094004       0.83311804      -0.23639593      -0.12831696      -0.30702217
Li       4.84521000       2.42639005       8.87250005      -0.04375409       0.02572605      -0.22075795
Li       9.05792996       8.15861996       0.00397696      -0.54133730      -0.80896867      -0.29821360
Li       2.17047999       4.05204006       7.27099003       0.22923754       1.59919760       0.20944416
Li       3.45363000       1.90210001       4.65238003       0.68207717      -0.48836153      -0.56530614
Li       0.54046702       5.95382999      10.20099995       0.06094479      -0.36192192      -0.01586313
Li       7.27926002       8.53934004       3.77858998       0.03231380       1.23026694       0.48676829
Li       7.44619001       5.01784001       1.23951995      -0.13841804       0.21108577      -0.19388338
Li       5.06400000      10.73899997       3.82262997       0.34938253       0.42476333      -0.38605905
Li      11.50451514       2.49470005       5.48500000       0.49677331      -1.35413987      -0.17281753
Li       4.43751004       2.82749004       1.04526998      -0.41005198       1.44917967       1.77152172
Li       9.24104003       0.06077694       4.51760999       0.93154626      -0.85501143      -0.64515120
60
Lattice="11.50542303 0.0 0.0 0.0 11.50542303 0.0 0.0 0.0 11.50542303" Properties=species:S:1:pos:R:3:forces:R:3 energy=-440.16625906 stress="-0.023201716532000465 -0.008056405912074086 -0.0032093446210896054 -0.008056405912074086 -0.036254695778169733 0.005204424126371574 -0.0032093446210896054 0.005204424126371574 -0.03489653814950987" free_energy=-440.16625906 pbc="T T T" config_type=melt 
Cl       7.95323999       9.91452999       2.61755001      -0.86373056      -0.35103323      -0.57586006
Cl       0.76013005      10.41279995       1.23894997       0.65124722      -0.72372531       0.45446409
Cl       6.47164996       6.38696004       9.52449005      -1.82532732      -0.71953865      -1.14663170
Cl       3.36833996       8.00551005       9.18650997      -0.86006509       0.49340870       0.34908256
Cl      10.97519998       4.60162995       8.32853999       1.22771591      -1.36590046      -1.73821510
Cl       6.54313005       1.77263995       3.31728004       0.83201972       0.93727375      -0.28145565
Cl       1.85957999       7.36132003       2.60264002      -1.43529970      -1.12933573      -1.23756172
Cl       3.91161004       1.91447996       1.46831001      -0.03858088      -6.09580592       1.77510368
Cl       4.25677998       4.49330996       9.42400997      -1.23659495      -4.34352344       1.57653870
Cl       9.83149006      10.40369996       8.59038995       3.41592488       2.15082648      -0.83679849
Cl       1.17063998       8.32083998       6.30660996       0.37599830      -0.71299426       0.34482063
Cl       5.04614002       0.13801296       9.71190005      -0.39389740       0.55064421      -0.77408855
Cl       7.54105004       9.58157996      10.19280004      -2.79251996       0.34423333       2.74413434
Cl       8.62053002       6.73185995       6.24960002      -1.40962075       1.09485121      -0.44963636
Cl       1.63216000       4.62752003       0.30916797       1.10183817       0.22311232      -0.35636024
Cl       9.74337002       4.18829004       0.08297884       0.52500168      -0.45269599       4.18653805
Cl       5.64039995       4.86420004       1.20871004      -0.02503010      -1.64654507       0.46069085
Cl       4.68083996       8.99057997       1.43943001       0.80601384      -0.03846552      -0.05183793
Cl      11.01290003      10.85689996       4.93759003      -0.60475356       0.18258059       0.00279332
Cl       2.41963004       0.47074899       4.37338997       0.94016130      -0.84845365       1.41531595
Cl       4.78294000       7.81742998       5.01408004       0.09515867       0.04664769       0.00718173
Cl       8.98856998       2.66797000       5.86912005      -0.52914316      -0.59287358       5.66754303
Cl       8.83600001       1.96869006       9.19964996      -0.29927000      -0.43715662      -0.83925668
Cl       8.68604006       7.39899005       0.84017500      -1.88467327      -0.08955616      -1.27843068
Cl      11.31569998       4.75094998       4.82027004       0.35783047      -0.17958627      -0.16371818
Cl       7.20001998      11.38839999       5.94536004      -0.02426687      -1.55199784      -0.50363266
Cl      10.27369996       7.21312006       9.31518006       0.04643014       1.29626058       0.08155068
Cl       5.60937005       4.37458999       5.92288995      -0.04614566      -0.28384248      -0.23800636
Cl      11.11850003       1.90603003       1.67483005      -1.57236538      -5.89626682       2.76855873
Cl       2.38129996       1.92760005       7.85697998      -0.82039833      -1.01952593      -1.93302374
K        5.61777005       8.85839003       7.75448001       0.32365173       0.40915251      -0.27954309
K        7.65989002       2.81837004      11.39119995      -2.57093583      -0.77699652       1.05140860
K        4.60160004       1.40529998       5.39434002       1.05771206       0.45602491       0.68274621
K        9.54832998      10.87710003       0.31035602       0.02970639       0.08519931      -0.02964253
K        1.33564995      10.55489998      10.05840001       0.24072268       0.29269375      -0.93256559
K       10.53990001       6.99762003       2.46124999       1.10858536      -0.59032529       1.38894340
Li       4.79742004       5.10917006       7.74143999       1.18077812       1.14341352      -2.47670393
Li       3.80401995       3.51756000       0.87899395      -0.90418387       6.05720007      -2.12475016
Li       2.74602002       7.46557999       4.25116004       1.05062471      -0.14130795       2.82526103
Li       9.88204006       5.01799004      10.01590001       0.39928872       2.30407508      -3.44693721
Li      10.44279999       7.67095996       6.47930003       0.91880704       0.21795198       0.42084026
Li       1.18752004       0.77653598       2.94601005      -1.74094910       0.22450538      -2.30110675
Li       6.15005003       8.86724000       3.58015997       0.11971984       0.38336420      -0.22110424
Li       9.80670001       0.91668699       7.55336004       0.11346629      -0.04358125      -0.46332503
Li       8.97737002      10.66530003       4.16857998       0.21555752       0.68468813       1.23998384
Li       5.67047996      10.66710006       0.00805587       0.21768257      -0.32916690       0.30304735
Li       1.39591996       7.20043004       8.62104005      -0.99707002      -0.37575301      -0.37725133
Li       2.96847002       2.76666996       9.50857000       0.19393065       0.46844571       1.88368885
Li      11.50020003       3.48197005       1.08951996       1.43280804       5.36074309      -1.91044696
Li       5.35447005       4.14256001       3.73340001       0.52962617      -0.51707226      -0.66770174
Li       8.09344001       7.18995999      10.12210002       2.26363578       1.24814544       1.63399044
Li       8.43505995       9.15923003       8.62961999       0.28446191      -2.35033401      -2.46474520
Li       5.46924999       6.79834001       1.28238996       0.41423324       2.18517038      -0.05680953
Li       9.15193997       2.63149999       4.12853996       0.37629882      -0.08741266      -5.79487998
Li       7.04315999       1.00042000       7.61240000       0.18574637       0.88723953       1.69847070
Li       1.57373006       9.98286001       4.92092995      -0.31209432       0.40658217      -0.08375506
Li       2.61072005       8.56891002       1.22443001      -0.42136450       1.26511990      -0.89785903
Li       0.91596997       3.10185998       6.48914005      -0.60662249       0.65626811       0.00657741
Li       4.13661999       6.24536004      10.06300000       0.32210549       2.24062441       1.56938923
Li       9.01661997       4.73349004       6.60910997       0.86041325      -0.60567365       0.39497779
60
Lattice="11.50542303 0.0 0.0 0.0 11.50542303 0.0 0.0 0.0 11.50542303" Properties=species:S:1:pos:R:3:forces:R:3 energy=-444.16082161 stress="-0.027765695181463483 -0.005470180800431264 0.0037531052581440843 -0.005470180800431264 -0.01666909800285609 0.0020835443525153707 0.0037531052581440843 0.0020835443525153707 -0.013524533880153846" free_energy=-444.16082161 pbc="T T T" config_type=melt 
Cl       2.58170003      10.57049995       1.44289004      -1.80012914       1.48182585      -0.48395879
Cl       4.23188995       2.24706998       2.88298000      -0.29990517      -0.26176906      -0.16160864
Cl       0.32208500       6.84989006       7.32997005      -0.05547292       0.23160513      -0.46696134
Cl      10.32930003       2.05245000       9.00987998      -0.51614665      -1.09707138       0.26810437
Cl       3.55807002       8.35879004       3.00092003       0.42422042      -0.82651912       0.30175234
Cl       8.99682995       5.50392998       1.94489006      -0.28327644       0.60248966      -1.14876815
Cl       9.90821996      10.15370001       1.69503000       0.42779171       3.68812702      -0.66268979
Cl       7.10290006       8.66357997       3.01345001       1.83591512      -0.68256653       1.06275086
Cl      11.30890005       8.04934997       3.41909003       0.25707660      -0.46412898       0.88756406
Cl       1.61833002      11.39679999       5.12243006       0.53752915      -0.29694458      -1.15471899
Cl       4.24750994       6.99496999       5.87842000      -1.72788885      -0.61883441      -1.01125976
Cl       1.26224995       4.26742997       9.25688001       1.09804293       0.67134742       0.86434899
Cl       6.43822004       8.50197998       8.65751995      -0.58543789       1.60418594       0.80240217
Cl       9.39309996       8.73891001       9.32747004       1.23057024       0.55285512       0.07564261
Cl       9.41147999       5.31998001       9.94514005      -0.84721863      -0.14820096       0.01965388
Cl       5.05043004      10.76869996       4.90619001      -8.80327990      -1.58006091       1.78500905
Cl      11.07920003       1.59202000       2.42009003      -1.06919987      -1.13872768      -0.15746612
Cl       1.70477004       4.37498002       2.90444003       3.96928505       4.35797781      -0.42854821
Cl       2.90232005       8.24666003       8.60505005      -0.02503435       0.64707431       0.46710772
Cl       6.46285004       2.30075003       9.80890998      -2.07748991      -0.57661503       0.75458437
Cl       6.60396003       2.63694999       5.98643003       1.14790365      -0.19697865      -1.13730250
Cl       3.36957000       5.76830999       0.42626798      -0.11110619       0.16739052      -0.41803233
Cl       7.70084000       6.47392999       6.37536004       0.14494454      -0.84727511       0.08277216
Cl       7.30569004       2.31151001       1.66406995       0.38138478      -0.15472009      -0.40030892
Cl       8.79756005       0.15981700       5.63070997       0.04378402      -0.33423384      -0.29246124
Cl       5.29636997      10.43730005       0.38695798       0.74650386       1.01383946      -2.80556293
Cl       3.39978002       3.41095996       6.56617001       0.07703591       0.40272454       0.31858716
Cl      10.73220004       3.52843999       5.56617996       0.03677080       0.24212178      -0.19994390
Cl       2.47908006       0.74774596       8.30403999      -0.11861788      -0.82627262       0.30880547
Cl       6.13622995       5.62885000      10.23420000      -0.28912367      -0.23576253      -0.00380348
K        8.74460001       8.96736997       5.71828004       0.04244404      -1.16960843       0.06746466
K        5.69939999       5.08586997       2.98284995       0.18408626      -0.00459383       0.27691430
K       11.32869996      11.04999996       7.07883003      -0.72110721       0.06198300       1.23864515
K        1.22520997       2.77860005       0.61565795       0.61090159       0.01239500      -1.37754894
K        5.35312000      11.16829998       8.87818005      -0.15094987      -0.20215318       0.03103801
K        0.86819796      10.01660000      10.57270002      -0.09536368      -0.16437356      -0.08624064
Li       5.58600001       7.28577002       7.31308999       0.67100307      -0.73683317      -0.11767576
Li       0.11109498      10.34759998       3.23998994       0.41558665       0.33303381      -0.36598142
Li       3.30269001       1.89523000       4.97291996       0.11063054      -0.08964888      -0.09356079
Li       5.80641998       2.88755997       7.79190002      -1.22314454       0.65297919       0.48590979
Li       4.84443005       0.92835797       1.11436994       0.16648464       0.29813039       0.45882413
Li       9.43922002       5.00948995       3.81967998       0.37560295      -0.30621919       1.90842436
Li      10.92460005       5.54042001       8.74439004       1.36103273       0.46095807      -0.71412911
Li       6.64516003      11.08950003       4.73287001       9.04407362       2.07218183      -1.20781847
Li       8.91131003       0.67191302       1.27423998      -0.00932202       0.29807660       0.36968014
Li       0.43194902       3.24117995       3.20998000      -3.96974522      -2.85586277       2.42980050
Li       8.47410004       4.48621997       0.00175872      -1.18467121      -0.51603512       1.36434257
Li       7.95475997       6.96813002       8.94422002       0.27339220      -0.21234757      -0.08852649
Li       5.63483006       9.43774998       1.97764001      -1.11569716      -1.00908289       1.24977430
Li       2.83437995       6.39610996       2.39903004      -0.62051731       0.12519154       0.42027959
Li       0.15225805       3.21136997       7.88731000       0.34249370      -0.49728995      -1.40875044
Li       8.26266005       2.66774000       9.18445003       1.85613979       0.68834093      -0.68182029
Li       9.56152002       8.33021000       1.62641995      -1.01891088      -3.55176636       0.22523904
Li       8.93667005       2.22424000       5.89899998      -0.41925415       0.80295262      -0.01773298
Li       3.37643000      10.61669997       3.49703996      -0.50487096      -0.15177435      -0.20605405
Li       4.11003003       7.69624002      10.48390001       0.43890775      -0.17681730      -0.09772816
Li       4.26175999       4.27116003      10.62610002       0.60780513       0.20382128      -0.32655582
Li       2.69464003       5.40393002       7.46699999      -0.07027133       0.40378873      -0.22057295
Li       2.88729005       9.99502998       6.54874999       0.54061623      -0.06630785       0.34926098
Li       0.91573503       7.32589000       5.38314996       0.31319334      -0.08000169      -0.93059131
60
Lattice="11.50542303 0.0 0.0 0.0 11.50542303 0.0 0.0 0.0 11.50542303" Properties=species:S:1:pos:R:3:forces:R:3 energy=-445.7098518 stress="-0.02145018722894599 -0.00452886967379221 -0.004346954230628104 -0.00452886967379221 -0.016767491661803184 -0.0015145140857119666 -0.004346954230628104 -0.0015145140857119666 -0.019800281010316938" free_energy=-445.7098518 pbc="T T T" config_type=melt 
Cl       6.08102003       7.74741004      10.34540003       0.10863049      -0.19809349       0.53595546
Cl      10.29010002       7.81742998       8.65745000       1.15616177      -1.63929003      -1.16306562
Cl       3.32380005       3.13617996       5.33927001       3.75038195      -0.80638928       0.43637405
Cl       8.99766996       1.82357998       0.58692902      -0.77191909       1.16539222       0.18290840
Cl       0.83987701       2.88141998       7.16265002      -0.67376360      -0.20114352       0.44735656
Cl       2.14558996       6.77720006       5.10873999      -1.62707307      -1.82177339      -0.85032009
Cl       3.22376994       8.48100997       1.70941995       1.23537070       0.61765734      -0.05666292
Cl       4.51484995       7.32648000       6.78948003       1.26764520       0.66322788       0.49366922
Cl       4.33475005      10.03770003       4.50333003       0.67466193       1.70259722      -0.50506946
Cl       2.77964002       9.33507006       9.52104003      -0.76377316       0.52756588       0.12793889
Cl       0.39681905       0.76075801       9.59802006       0.02083276       0.07286943      -0.44679909
Cl       0.27927205       8.88732996       3.39574001      -1.34361226       0.32493648       0.38651855
Cl       5.37262998      11.25979997       7.58672001       1.49193212       0.11649741       0.71668311
Cl       9.69390004       9.69602003      10.52100005       0.13579380       1.51203018       3.26214532
Cl      11.44920005       2.99550995       3.76503003      -0.73661532      -0.40971082      -1.45574412
Cl       1.67711997       4.60331998      10.17129997      -0.00961347       2.84712956       0.19667362
Cl       9.94940005       4.68091003      10.81590004       0.20577356      -0.58872301       0.35450755
Cl       5.32559006      11.41970003       0.21579100      -0.33776628      -1.48830407       0.61633412
Cl      10.86370001      10.53450005       6.12802002       0.55010253       0.49248856       0.30216522
Cl       8.47147001       3.46422995       5.68120002      -1.14449057      -1.26053299      -0.08683238
Cl       3.33789994       2.41276004      11.21130001      -0.48324607      -1.62017816       0.23148251
Cl       8.76826000       6.65016995       2.70450995      -0.22237845       0.19366183      -0.17423253
Cl       0.20722095      11.44468636       1.13720004       0.06467384       0.40745784       0.03013463
Cl       8.13133002       9.15923003       6.56351996      -0.58999874      -0.37091708       0.68294680
Cl       6.56930995       3.53127999       9.77558003      -0.31090594      -0.04321299       0.51376319
Cl       7.76658003      10.44630006       2.62920006      -0.29807264      -1.06139923       0.15715670
Cl       1.12968999       6.37482999       1.16571002      -0.72817132      -1.07299136      -1.87080362
Cl       8.61153002       1.10020999       8.95030996       0.87297216      -1.02302482      -0.16244600
Cl      10.39930006       5.91781997       5.40393002       3.35175468       3.05611613       3.02137167
Cl       6.10485006       3.12923000       1.94195997       0.13520829       0.43521486      -0.15646764
K        2.84361995       0.43144899       7.05727001      -1.15817463       0.11199218      -0.10257569
K        4.02955996       1.51574997       3.15813001       0.12943591      -0.51125135      -0.47887507
K        4.86515005       5.38844004       4.64989002       0.48520455       0.34644852      -0.18863134
K        2.07548995       6.38848002       8.05204005       0.04329015       0.28031207      -0.37388668
K        9.23121003       4.67348005       8.10216998       0.05610807       0.30170456      -0.33418160
K        8.80788996       1.41629997       3.12195006       0.07636416       0.28593310       2.21618900
Li       1.52056004       3.38561006       5.02463005      -2.93106866       0.92222299       0.50617893
Li       5.46879000       9.85696997       1.59052003       0.07215017      -1.37785604       0.78504107
Li       1.03930005      10.78919998       2.97888001       0.16561158      -0.01514631       0.10787423
Li       9.97289999       8.94066002       0.97499497      -0.01467342      -0.17902262       1.50620046
Li       6.24514005       9.04664003       8.67888000      -0.91573647      -0.11272790      -0.55664677
Li       6.58041004       1.26014998      11.23909998       1.98007691       2.45791693      -0.64286241
Li       9.93112000       0.60430002      10.88660006       1.19811701      -1.41872420      -1.16153128
Li      11.06009999       6.34482005      10.52500003       1.10953458       0.89007506       0.03602715
Li       1.48980996       2.70912996       9.82886003      -0.06929395      -1.65679579      -0.76620139
Li       0.28999695      10.09810005       9.71882999       0.87700771      -0.74222463       0.00779453
Li       3.20874996       6.71322001       0.21047699      -0.27760868       0.86079079      -0.04261111
Li       6.30675999      10.10229999       5.89823003      -0.83970987       0.08489514      -0.44667038
Li       9.15553000       5.07200996       4.42087999      -2.64499918      -1.49543024      -2.67611708
Li       3.42764006      11.42190677      11.02200002      -1.60012818      -0.32005340      -0.76585173
Li       4.70044002       3.89026000       0.20767703       1.07449084       0.17927856      -0.16974318
Li       8.40213995       3.87350995       0.35150402      -1.63664670       0.29714721       0.26297681
Li      10.79600003       8.17985000       6.20927006       0.30622213      -0.37098042       0.25923355
Li       6.91900002       1.97573000       8.16727998      -1.00200000       0.26070547      -0.64743824
Li       0.93598595       6.93414001       3.04298995       0.12704359      -0.09378257       1.83652028
Li      10.50089996       0.85684705       7.54164004       0.41249674       0.42561705      -0.17290091
Li       8.90524000       8.76461001       4.56252003       0.05631594      -0.16599840      -1.42511260
Li       3.23591001       8.43103996       5.10169004       0.48430469       0.14499232       0.48258975
Li      11.18759999       3.12943997       1.49059003       0.16969313       0.11066182      -0.20654165
Li       8.95700002       9.74442001       8.75883004      -0.71392390      -0.02985847      -2.61588880
60
Lattice="11.50542303 0.0 0.0 0.0 11.50542303 0.0 0.0 0.0 11.50542303" Properties=species:S:1:pos:R:3:forces:R:3 energy=-449.42188779 stress="-0.01389632438206653 -0.002090462110430516 9.377926131825379e-05 -0.002090462110430516 -0.01160055742213961 0.0026992809555794013 9.377926131825379e-05 0.0026992809555794013 -0.010858695304961476" free_energy=-449.42188779 pbc="T T T" config_type=melt 
Cl       5.47125999       0.73053304       0.56827102      -1.48935305       1.56831247      -1.10677895
Cl       8.50653003       0.14437902       2.65311005       0.44884825       0.36900183       0.50806628
Cl       4.24607004      10.83900005       3.80050999      -0.04797612      -0.13070555      -0.14259539
Cl       4.11268997       9.39741001       7.56606996       0.52874558       0.00496175      -0.07361128
Cl       6.94034005       4.87560997       3.16492005       2.79474299      -0.21401008       0.30082322
Cl       8.76855005       3.11548999       6.50307001       1.60985206      -0.53388964       0.63039745
Cl       2.73813996       8.17320999      11.39419999       0.34011348       0.57369125       0.28466315
Cl       6.42173000       5.02960005       6.92802005       0.46662708       1.42036579      -0.54028020
Cl       7.44317996       9.20009005       5.52307995       1.27901465      -0.56870673      -1.49335877
Cl       0.73859995       3.71759996       0.74408804       1.13084788      -0.43186421       1.57640792
Cl      10.33469998       9.19676003      10.92520006      -0.35215651      -0.52167517       0.32940685
Cl       4.46391004       4.55470002       8.90577005      -1.66448969      -0.16537998       1.09796361
Cl       4.75391999       6.78809995       4.94126003      -0.66415850       0.65090947      -0.30688205
Cl       7.29282997       8.79815005       1.19747005      -0.79582119      -0.24006105      -0.25387351
Cl       9.69498006       7.38280997       2.56385995       1.33546272      -0.30045591       1.39350788
Cl       1.33375995       4.67110004       6.25296995       0.90485833      -0.16167209       0.23551462
Cl      10.99730006       8.45835004       6.74057001      -0.66544705      -0.67933658       0.96284494
Cl       1.61159003       8.28168001       3.21456998       0.08804247       2.62681164       0.22050751
Cl       3.92819004       3.34378002       4.79992995      -0.22536780      -0.27730051      -0.13612851
Cl       0.92579100      11.42420004       5.96121003       0.34531939       0.64513928      -0.28155030
Cl       6.64434004       1.57121002       5.48384002      -0.28647198      -6.05674875      -0.81183839
Cl       0.71226898       0.01902146       1.54865997       1.16483825       1.68636626       0.09887436
Cl      10.15719996       3.39913997       3.65537000       1.26380969       0.78634125      -0.39433254
Cl       8.12565002       5.04980001      10.33979999       0.34803905       0.23552565       0.40592742
Cl      10.78040005       0.19045295       9.17849000       0.64946923       0.65336581      -0.89302165
Cl       7.03494006       1.27388999       8.68191996      -0.01865135       0.10875770       1.02146995
Cl       9.58338999       2.13400999      11.43679997      -1.18483301       0.42129988       0.81655773
Cl       0.11216395       4.00004003       9.14199997      -0.09398096      -0.47803212      -0.37171632
Cl       3.00344995       1.36370995       9.13208000      -0.22134400       0.18122134       0.07945322
Cl       4.16818995       4.50615001       1.17327000      -1.12808450      -0.55086181      -1.74611453
K        8.46133995      10.32909995       7.65173002       1.00508756       0.57963557       1.18101426
K       10.18419996       5.34195997       5.87205002      -0.33858407       1.05349135      -0.04292765
K        2.15766997       5.53522002      10.64299999       0.30785641       0.23555372      -0.46884725
K        5.50546998       6.80987995      11.17330001       0.21255113      -0.05272203      -0.26854985
K        1.63706005       5.79255997       3.20461997       0.12758075      -2.59252061       0.16701519
K        1.39510997       9.37046005       8.92700998      -0.10807650       0.36724816       0.02339976
Li       5.04499005       0.93568094       7.62228995      -0.23053259      -0.00760691       0.15583929
Li       3.90441996       5.33004001       6.81841996       0.31744580      -0.07546883      -0.72560606
Li       2.24502995       3.31973000       8.11477003       0.36189512       0.36608173       0.01315991
Li       0.30435399       8.85507002       4.92554995       0.17608936       0.62857539      -0.86746351
Li       7.59186995       7.15914996       3.18335001      -0.42028259       0.08412947       0.04107421
Li      11.40649998       1.72113006       7.54012006      -0.37097412      -0.18461723      -0.22626983
Li       9.43530001       0.06047135      10.85070003       0.04024782      -0.81809574       0.13896772
Li       6.76332003      11.08479995       1.46472998       0.96273499      -1.57774634       0.98200922
Li       7.06007998       2.11577999      11.01420003       0.01784499       0.14256575      -0.26935692
Li       6.38749999       3.32810998       5.57223998      -0.96388186       4.92916837      -0.11455412
Li       0.10840295       2.19656002      10.71550003       0.55520817      -0.76936753      -0.70450347
Li       3.48204000       2.45824995       0.16251698       0.35945426      -0.24171658      -0.18825422
Li       6.90425997      10.98060005       4.72415005      -0.69489355       1.21788395      -1.17970411
Li      10.97069998       9.97429997       1.47903996      -1.04587299      -1.62147849       0.09267997
Li       5.06024003       5.00900005       2.84522001      -1.49693636       0.37635112       1.94112039
Li       3.31471997       9.42359002       5.46166999       0.21023600      -0.01236936      -0.48882404
Li       2.26618003       1.54933004       4.68637004       0.37026432      -0.17746678       0.12215664
Li       7.64569002       3.85055996       8.25426005       0.09533096      -0.19453420       0.52205170
Li      10.60049999       4.35277996      11.16240000      -1.66243464       0.24418836      -0.67271030
Li      10.76180004       1.93720996       2.27473005       0.12485781      -0.67862478      -0.75928229
Li       9.19856006       7.14807001       0.58948495      -0.56408256       0.54697925      -1.22949593
Li       3.17543002       9.87004001       1.64291999      -0.27508445      -0.12127464       0.37789322
Li       6.19984999       7.97430999       6.38964000      -2.03980169      -1.72268028       0.72923652
Li       8.41891002       2.36270006       4.02089004      -0.89374285      -0.54493306       0.30842782
60
Lattice="11.50542303 0.0 0.0 0.0 11.50542303 0.0 0.0 0.0 11.50542303" Properties=species:S:1:pos:R:3:forces:R:3 energy=-448.6678841 stress="-0.01708458710771371 0.0013347751191951484 -0.0027105010731161457 0.0013347751191951484 -0.008510184478407788 -0.0011409923264809633 -0.0027105010731161457 -0.0011409923264809633 -0.018317415052122074" free_energy=-448.6678841 pbc="T T T" config_type=melt 
Cl       9.17817003       9.73529000       2.97619004       1.73858970       0.24164944       0.17758623
Cl       2.84513004       3.57229003       5.92795004       1.23283976       1.72139830      -0.01804880
Cl       4.23958996      10.28160004      11.29589996       0.86786578       0.10036242       1.13048152
Cl       2.23902999       2.45820002       2.35569003       0.12380282      -0.88585232       0.20554697
Cl       8.83070004       0.64776797       6.63808005      -0.01427630       0.16393835       1.02257717
Cl       0.80691697       4.99630002       0.80975904       1.46801894      -0.31133116       0.74605954
Cl       8.13578998       7.09209003       5.87287001       0.00448526       1.03793107       1.19152428
Cl       4.72829005       6.98427006       6.71799004      -4.48375554      -1.82466342      -2.10635334
Cl       6.64981995       8.32364995       1.10047001      -0.05050518      -0.53873451      -0.85211546
Cl       9.44311001       0.12429401      11.05819999       0.00863914       0.03790706       0.01252726
Cl       1.30609999       1.53396996       7.80641998      -0.38730036      -0.45437131       0.41489115
Cl       6.82113996       9.77508001       7.69748997      -0.57789883      -0.76756390       0.32135991
Cl      10.52310002       5.81642003       3.53632005       0.39471726       0.27218366       0.16443564
Cl       1.07598003       6.56236999       7.85741006      -1.21408425      -0.75003384       0.46602394
Cl      10.74429995       3.50866999       9.63495005      -0.24048302      -0.61151459      -0.56537703
Cl       6.03874001      10.52469997       3.34669998      -0.96494142       0.29016815      -0.03895883
Cl       1.43115002       0.37651301      10.57960005       0.31150120      -0.17423700       1.90446218
Cl       5.49948003       2.47123002       1.07211996      -1.85974995      -1.83974244      -1.32236246
Cl       4.36889998       5.44863998      11.37840005      -0.63818491      -0.94032242      -1.33349669
Cl       6.34665999       4.47992996       3.56118005       0.10900143       0.67298754       1.38507765
Cl      10.83000005       7.82696003       0.09400115      -0.01363600       0.40215036       0.01032779
Cl       5.10699001       1.25824998       8.63144004      -0.51834213       0.49032515      -0.36654057
Cl       8.32234006       1.49071003       2.99954996      -1.09484686       1.05355461      -1.72406612
Cl      11.22780005       2.15574005       4.77927000       0.37895492       0.07047480      -0.03668697
Cl       8.17547000       4.82157004       0.40028000      -0.12102774       0.34437956       0.46356858
Cl       2.35064997       9.46771999       8.22398998      -1.21637853      -0.21392045       1.23702352
Cl       9.18626996       6.53591995       9.16273999      -1.19011528       0.68753014       0.55471885
Cl       2.98309997      10.30110001       5.39101001       0.85060397       0.62105597      -0.81733875
Cl       3.72196995       5.91301002       2.92615997      -1.22535309       1.35818765      -1.03276594
Cl       1.81598997       9.11505001       1.71154995       0.31904198       0.56364946       0.56534045
K        2.25790004       6.91988997       5.47085995      -0.44755667       0.40890830      -0.65855026
K       10.09459998       9.04931999       7.96108001      -0.29866946       0.02889454       0.23979233
K        7.30436002       2.63948004      10.23949997       0.24817797      -0.01877943      -0.43585356
K        2.27806996       7.08675001      10.50139999      -0.18796171       0.63785843      -0.08453551
K        0.34823199       9.68310002       5.13499996      -0.83221237       0.25197795      -0.44931925
K        4.79722997       1.86639005       4.44202995       0.29925414      -0.38492595      -0.47101751
Li       7.39876006       8.62419001       3.08219997      -0.21263420       0.37070601       0.77203733
Li       4.21355997       9.15366003       2.18259002       0.29447100       0.27207100      -0.17005521
Li       3.48376995       3.58968002       0.97697598       0.10995648       1.15672774       0.02574955
Li      10.45750001       5.33508997       8.13871005       1.04732782      -0.30735966      -0.67723064
Li       3.29003002       0.82015200       0.94440505       0.00439174      -0.47694657      -0.16960032
Li       7.23114998       0.35436300       1.35559000       0.07524804      -0.68365247       0.40853632
Li       6.46202004       0.29204595       7.09617997       0.46347929       0.09819528       0.14291325
Li      11.36180003       1.42310002      10.71240001      -2.50360272       1.60015481       0.20707989
Li       9.33923997       0.93173504       4.58234997       0.95128985      -0.48755576       0.64873751
Li       0.68173601       7.38198998       2.23490001      -0.90358807      -1.18033499      -0.35198912
Li      11.32489995      10.06650006       0.59741000      -0.26741211       0.03630775       0.06396477
Li       1.81475003       1.84817996       5.80424005      -1.14815015      -1.17040874      -0.97812281
Li       6.22923001       7.51308001       7.45325998       5.23897913       1.66914963       1.84235175
Li       4.17715003       9.66107001       7.32511005       1.07293415      -0.07321722      -0.68950862
Li       2.88766996      10.86110001       9.86393006       1.33038030      -0.98543505      -1.61597184
Li       0.20553897       3.81518999       2.74178005      -0.17393557       0.07529376       0.32161943
Li       5.95911995       6.23709995       0.83568800       1.11682585      -0.17507920       0.72666590
Li       6.97468006       3.11289000       2.15135004       2.36998325       0.76644823       0.58577084
Li      10.81400003       5.30235002      11.01959998      -1.71432039       0.59516770      -0.56031829
Li       8.08275999       5.95793996       4.24917996       0.41363905      -1.36028134      -1.24611278
Li       8.56645004       7.68184996      11.34986902      -0.02713296      -0.38917965       0.02191544
Li       2.97088006       2.94869001       8.21137002       0.37539163      -0.11659443      -0.04825752
Li      10.58210006       2.02146003       7.74162005      -0.05215341      -0.11259543      -0.41152340
Li       4.02015001       5.21079999       4.74818005       1.36041733      -0.86306157       1.25141062
60
Lattice="11.50542303 0.0 0.0 0.0 11.50542303 0.0 0.0 0.0 11.50542303" Properties=species:S:1:pos:R:3:forces:R:3 energy=-445.39314079 stress="-0.008811906113665844 0.00253180422641204 -0.0023961205962942486 0.00253180422641204 -0.03199939351530451 -0.005125821537640054 -0.0023961205962942486 -0.005125821537640054 -0.00945232075751932" free_energy=-445.39314079 pbc="T T T" config_type=melt 
Cl      10.72310006       0.46813495      10.01570005      -0.76948701       1.24553429       1.32928140
Cl       4.36778004       9.74389996       1.75390003      -0.06352687       0.29095019       0.88176111
Cl       4.69727005       3.11428998       4.38340004      -0.75413605       1.10469538       1.00574898
Cl       0.59637198       7.80261997       8.21448995       2.34333095      -0.29985806       1.58396952
Cl       5.99987999      10.21639996      10.76960003       1.44655312      -2.51147342      -3.13817403
Cl       0.27855296      11.11670000       6.83765001       0.33212732       0.12128273      -0.32997208
Cl       2.15045998       8.94842997       4.57727999       1.37486813       0.54633412       0.96961062
Cl       2.69661999       5.76077003       6.09707999       0.67759033       0.15031058      -0.14126982
Cl       5.07064001       6.69103997       3.74116997       0.80408765      -1.14864673       0.52220368
Cl       8.81911005       8.64752002       5.65923996       0.72893052      -0.81655521       0.09710239
Cl       8.88780997       1.55397996       5.80073998      -0.74885473      -0.21890122       0.61939503
Cl       8.31968000       5.87339995       7.27985001      -0.31660934       0.65165958      -0.76097170
Cl       6.32626997      10.12060005       6.05977998      -0.19240354       0.07197235      -0.27886035
Cl       0.19018395       3.93146000       6.20412000      -0.66775932      -0.64399428      -0.08384297
Cl       8.91945000       8.90448996       9.24677997       2.41310827       1.14438290       1.79703229
Cl       7.81849998       6.06409003       1.04179005      -0.01990438       1.38552727      -1.47790878
Cl       7.95272995       9.17890005       2.22983003       0.12299872       0.61454542       0.15049615
Cl       7.01893003       1.68672999       1.16315996       0.74282473       0.19208435       0.45054238
Cl       2.02309000       7.15155995       1.11569997      -0.43165062      -0.43339770       0.78353817
Cl       3.05528004       0.30133600       4.24420996       1.01872866       1.76315190       0.31524107
Cl       8.92371000       3.92228995       2.94118997       0.16516255       0.31275053       1.24141897
Cl       5.20241001       7.39026998       8.94698995       0.27205814      -0.01885503      -0.04314999
Cl       5.40393002       3.50114004       7.82875005       0.18620022      -1.14617201      -0.59514588
Cl      10.34030002       7.10785004       3.21879005       0.26566911      -1.09090330       0.77354849
Cl       0.59457806      10.27530002       1.54990002       0.28212540       0.67241393      -0.48672990
Cl       1.45943001       4.13577998       9.92543000      -0.24766355      -0.58649137       0.72476131
Cl       9.60376000       3.66265995       9.31672995      -1.19473029       0.30096806       1.50783200
Cl      11.04729998       1.37850995       2.68697005       1.23908965      -0.24906565      -0.35299262
Cl       4.30035999       4.32441001       0.85886395       1.93636171       1.17027254      -0.07740408
Cl       3.75531002       0.82871802      11.37844700      -0.97672911       0.08725361       0.12128773
K        5.43060005       1.14029005       6.65716996      -0.32729512       0.05448980      -0.59998821
K       11.01509998       6.19160003      11.36087108      -0.26368956      -0.49998713      -0.33300534
K        3.99791003       9.40159004       7.32318001      -1.29207993      -0.38197738      -0.07683300
K        2.19666001       2.97174998       1.13212005      -1.45469468      -0.59186498       0.02950242
K        7.55161996       0.93615796       9.05803006       0.53766398       0.09026272       0.50580143
K        2.83340003       8.99082999      10.72369995       0.40023496       0.39788415      -0.13544017
Li       7.50103004       4.01875003       1.18537002      -0.61781150      -0.99484340       0.07748194
Li       4.79440999       5.03068996       5.15809998      -0.45680940       0.54802284       0.89962975
Li      11.22179997       8.47898996       1.95768995       0.30926309      -0.34982424       0.02449948
Li       1.93870002       2.32067006       5.38620995      -0.16207701       0.19168694      -0.06067208
Li       1.60747005       4.87708002       8.03183998       0.00897814       0.78664786      -1.38101719
Li       5.23892995       1.54199005       3.46396003       0.76179836      -1.98347676      -1.99016280
Li       9.49931998       5.54381997       5.10718998       0.27939767       0.13251754      -0.32748670
Li       5.80942002       0.14799897       0.44407700      -1.13899784       1.52799393       1.81540747
Li       1.30438005      10.72609998       4.28135004      -1.95978091       0.52639941       0.22941506
Li      10.40830006       8.18095003       7.39284995      -2.32454186       0.48847059      -1.15437479
Li       9.78495005       0.11079999       1.42274002      -0.07169312      -0.10590624      -0.35270235
Li       4.34484997       7.62736004       2.09397997      -0.97562878      -0.01334161      -1.44110509
Li       9.14102995       3.95955003       7.36563997       0.20010880      -0.72819825      -0.90488579
Li       7.44353997       8.20217006       8.29416006      -2.38525842      -1.38457520      -1.68819972
Li      10.00300002       2.34340006       4.08513000      -0.71791722       0.97721411       0.80538676
Li       7.69096996       6.88161005       3.03824995       0.50417030       0.14884634      -0.32925559
Li       2.64857001      11.32939995       2.07940997       0.42074284      -0.45526829      -0.97890188
Li      11.25318308       2.53708005       9.03833001       1.28915245      -0.66891299       0.02985015
Li       5.36259000       5.17169996       8.78761005      -0.06833910       1.83376616       1.39060770
Li       6.02491003       8.29049006       4.55241999       0.69724772       1.74353123       0.61655782
Li       1.55142000       7.20412005       4.16976999      -0.87378079      -2.83143633      -0.46354592
Li       8.78934000      10.77109999       5.26354005      -0.00604360       0.33563083       0.09976396
Li       7.89351005       8.77679000      11.48494717      -0.61291220      -0.11255923      -0.09318549
Li      11.44870003      10.41719997       9.03356999       0.33223236      -1.34296819      -1.32149090
60
Lattice="11.50542303 0.0 0.0 0.0 11.50542303 0.0 0.0 0.0 11.50542303" Properties=species:S:1:pos:R:3:forces:R:3 energy=-445.65062777 stress="-0.012430678198297176 -0.004141895889534629 0.002944550175525817 -0.004141895889534629 -0.01460803465495182 -0.0025558025481331502 0.002944550175525817 -0.0025558025481331502 -0.02649555992073056" free_energy=-445.65062777 pbc="T T T" config_type=melt 
Cl       7.13818995       4.37645996       7.37293004      -0.92575272      -1.23234851       1.50871572
Cl       6.93052995       7.72020996       2.67658997       1.29867011      -1.54517053      -1.48172893
Cl       6.36460995      10.85120005       1.69935996       0.16698344       0.60417826       0.23130472
Cl       3.31392000      10.10590004       2.91608997      -0.07880651       1.85071900       3.92027070
Cl       0.99158004       0.81923502       9.68535002      -1.59310209      -0.54575988       0.32052495
Cl       8.29132006       7.58558995      10.78230006      -3.33866175      -2.69183991      -1.64894376
Cl       1.94649000       4.08160002      10.53660002      -0.15168986       1.17229050       0.61822839
Cl       3.71783996      10.28959999       6.89483001       0.04928953      -0.89502309       0.12597171
Cl       8.16715997       1.14482998       7.74609003       0.54465227      -0.31063512      -1.36697870
Cl      10.70260004       5.00796997       8.35972003       0.06044043      -0.53527021       0.24025869
Cl       0.43360499      10.97589997       5.29444005      -0.10108007       0.64617104       0.20379981
Cl      10.59109995       1.37372001       1.84190996       2.95655741       0.29149795      -0.87977520
Cl       8.78218996       2.75661997       4.28894995       0.09757667      -0.66244523       0.38293289
Cl       8.11545000       0.72069199      10.58880001       0.92410835      -0.01113684       1.78831697
Cl       6.07488004       9.90551998       9.36679005       0.14990504      -0.35546920      -0.26580380
Cl       4.66552003       2.09233999       9.12029004       0.70176379      -0.62275206      -0.06382728
Cl      10.97859995       5.93179998       2.53097999      -0.05322770      -0.61361152      -0.46728637
Cl       8.99976004       5.94496000       5.92842003       1.70629806       1.97884687      -1.33592757
Cl       1.80821000       3.24782997       4.81823001      -0.33202918      -0.04297734       0.57921571
Cl       3.07989003       6.99682995       2.49968006      -0.12066968      -1.14195902       0.15217335
Cl       9.47951995       8.77026999       8.45636006       2.51631142       1.09621385       0.59230620
Cl       3.85103997       7.55305998      11.03430000       0.73349203       0.24789406      -0.77448987
Cl       3.07975001      11.28939997       0.19374097      -0.23811254      -0.46827469      -1.50367160
Cl       8.55980002      10.24620004       4.95973003       0.25587637      -0.65859212       0.15245355
Cl       6.01715998       5.23606003       4.30552995      -3.25917141      -2.55640363      -3.96337364
Cl       7.21531000       4.38397001       1.01022999       0.04017813      -0.01682861      -0.44900977
Cl      10.96060006       9.47476005       0.88128503      -0.31180310      -2.01146163       0.20098152
Cl       3.18994998       2.73461999       2.03221000       0.03349883      -0.34072603      -0.76420772
Cl       5.66160996       7.61338003       6.15658005      -0.08379652       0.70789683      -0.11613605
Cl       1.69412004       6.30712000       6.32086000       1.55378686       1.59289217      -0.07228816
K        2.12524999       0.96130099       7.25009998       0.05766971       1.06307349      -1.21422976
K        2.27602004       9.28676995       9.21841002      -0.32334390       0.32975666       0.12807497
K        9.65721005       3.59470996      10.67610006       0.12110270       0.04984404       0.12723284
K       11.39939998       8.79707003       3.64881997      -0.21386544      -1.06378987       0.29323313
K        4.92968995       4.89792002       8.79194000      -0.91972421       0.62158903       0.34431099
K        6.06104005      11.30520002       5.69215997       0.05167212       0.84828278       0.27523048
Li       8.40954000      10.36470003       9.10430004      -1.35493437       1.43150732       0.44878470
Li       0.14547399       5.00940999       6.27709004      -0.69208941      -0.67963203      -0.23761428
Li       6.10465999       9.04634998       3.78238999      -0.81823814       1.55022339       1.00033130
Li       2.78855005       5.93044004       0.37913705      -0.56464205      -0.89943409       0.21076093
Li       5.06339999       8.49268003       7.98836996      -0.09998957       0.75509336       0.08239885
Li       6.89512006       5.83652001       5.75561997       1.59146240       1.07544657       2.90049263
Li       8.24782001       8.27227996       0.96777601       0.02106020       1.63987299       3.64615739
Li       8.60220004       4.40125001       2.90579998      -0.25077083       0.69127731      -0.01237948
Li       0.96896705       0.21288795       3.01824995       0.15776118       0.47620217       0.31588001
Li       5.62921000       6.79994996       1.11826004       0.14827707      -0.40488367       0.09707297
Li       3.75117002       3.89777005       3.76155999       0.37645735       0.21366010       0.44662524
Li      11.17749995      11.16509998      11.44790006       0.42711687       2.52358657      -0.93991136
Li       3.09308997       8.92649005       1.47629005      -0.14656386      -1.20110674      -2.68030438
Li       7.00925006       2.15026002       9.40908997      -0.34714624       0.54203205      -0.83891947
Li       8.81705001       8.20495000       6.80039004      -1.17490378      -1.31015096      -3.35955162
Li      10.03330001       7.98920997      10.29349999       3.07221260       0.11883814       0.06442175
Li       0.70841904       4.05690996       1.82768005       0.26377252      -0.21770268       0.47721603
Li       2.74368005       2.12271005      10.11160005      -0.06887197      -0.39520878       0.91350879
Li       3.31928003       6.86885997       4.73019005       0.16160093      -0.09510234       0.61053597
Li       9.87244005       0.16895599       6.50132003      -0.13598651      -0.09645009      -0.69373602
Li       9.12488002       3.91719995       6.76732001       0.20350150      -0.37325552      -0.11389247
Li       4.04541995       0.44340796       1.90235002       0.72747021       0.55972739       0.44182279
Li       5.97801002       0.12890998      10.71150006      -0.72986256      -0.30598357       0.70745106
Li       8.71647995       1.00533995       2.12076000      -2.74169015      -0.37722838       0.69498954
60
Lattice="11.50542303 0.0 0.0 0.0 11.50542303 0.0 0.0 0.0 11.50542303" Properties=species:S:1:pos:R:3:forces:R:3 energy=-444.07875297 stress="-0.022475460490753905 -0.0004415754610417044 0.003339493749027748 -0.0004415754610417044 -0.016636267421435088 0.0022632150494053694 0.003339493749027748 0.0022632150494053694 -0.014244807147793827" free_energy=-444.07875297 pbc="T T T" config_type=melt 
Cl       9.17747004       8.20729998       9.49811997       0.78813249       1.02192557      -0.33837413
Cl      10.16799998       2.09859998       5.27363997      -0.11783009      -0.97621267       0.02793083
Cl       3.75446000       1.04580004      10.35810006       0.49977759      -0.07854631       0.37610298
Cl       5.44405001       8.25508005       8.06124001      -0.45805458       2.92099631       1.71262508
Cl       0.12264206       8.13314005       1.56259004      -0.70970620       0.09873774       0.42553357
Cl       6.51242001       7.43881998       4.29608998      -2.84030769      -0.29055035      -0.86688755
Cl       8.09384006       1.15383999      11.21289995       0.92686882      -1.00715251      -0.49124148
Cl       6.37545002       3.98033999       1.11889997       0.29031323      -0.42141983      -0.28221055
Cl       7.65851005       0.48620203       3.63356999       0.25189368       0.08488676       0.11339712
Cl       5.75238004       3.33569999       5.36048002       1.28119749      -2.20074935       0.77771971
Cl       4.91702996       4.31938996       8.55920002      -0.08573345       0.18812167      -0.07095908
Cl       2.74104002       6.08281004       3.17957002       1.29458603       0.61363045      -0.97377901
Cl       0.76956898       6.37147995       9.72461998      -0.47958627      -0.50501153      -1.19114683
Cl       2.66498998      10.50440003       2.28780999      -1.87598661       1.07631969       1.13292872
Cl      10.05019998       1.63127006       8.01280000       0.14854445      -0.23650302       1.89129420
Cl       2.42240998       0.21029796       6.26798004       0.20556408       0.07395521      -0.64296706
Cl       1.80519995       2.73039002       8.69610995       0.39408283       1.17217833       0.89439575
Cl       2.77198995       3.35178998       5.05204000      -1.49889052      -0.64796656       0.17377182
Cl       2.21055004       7.18532997       6.47021995       0.05843607      -0.36366717      -0.15088720
Cl       8.16314999       8.13982999       1.45833998       0.25065266       0.92771472       0.36140285
Cl       2.85910004       5.33432003      11.42820001       0.93911482      -2.04897873       1.10111264
Cl       0.10672799       2.54292998       2.10227999       0.62092035      -0.10444618      -0.38745365
Cl       9.14574004       5.04697002       3.70980998       0.12286221       1.13146328      -0.47156293
Cl      11.45019999      10.96140003      10.74739997       0.30882394       0.22373383       0.51135839
Cl       7.76426997       6.80269999       6.90172003       0.98439577      -3.18184015      -0.26915987
Cl       9.10183995       4.70272995      10.18070001      -0.29287864       0.21057296       0.27293609
Cl       5.59004002      10.43550003       1.37112002       2.99326258       2.15640533       0.84121838
Cl       3.42028004       7.96820003      10.45090004       0.05194637       1.56252715       0.71632211
Cl      10.33330001       8.24009998       5.09870001       1.41599193       1.10136637      -0.39742886
Cl       7.21192004      10.49559999       7.41478999      -0.42631589       4.21460440      -0.48398801
K       10.94010004       6.29748996       7.06075995      -0.74225446      -0.55458081       0.52003837
K        0.87740195      10.03039995       8.13035999      -0.00419960      -0.40492006      -0.01739977
K       10.59770003      11.37470002       2.60134002      -0.26315178       0.00670552       0.03389304
K        5.38750005      10.43020006       4.40081004      -0.05043055      -0.47167898       0.79808891
K        5.43355004      10.15379999      10.36829996       0.02051958       0.05995124      -2.62433684
K        6.91846997       7.26515000      10.68749998      -1.10361036      -1.33802043      -0.53845151
Li       9.40346002      10.09750004      10.76799997      -0.19534234       0.11543876      -0.18545212
Li       7.78860003       1.27199999       5.86436003       0.69379280      -0.30663655       0.31717497
Li       3.99912995       2.31280000       7.60483001      -0.41535976       0.36878654       0.21228109
Li       4.91491998       5.08805001       2.08982997      -0.92247790       0.67400560      -0.27370319
Li       8.40982005       8.00132000       4.31209000       0.55870985       0.00452136      -0.28799572
Li       7.84407999       8.73062000       7.20568997       0.68515897      -0.92747958       0.39155417
Li      10.39579999       2.95713004      10.20149998       0.03401030      -0.57161138      -0.52739821
Li       2.70860002       6.13392001       9.11837002       1.43317206      -0.14290570      -0.12425971
Li       7.46707006       4.27164004       4.84969999       1.10640778       0.99301629      -0.04540596
Li       1.53485001       7.01363995       0.45516995       1.12351064      -0.25580046      -0.51614446
Li       7.09783998       2.86984001      10.51220001      -0.24058012       1.34864855      -0.08468269
Li      10.79639996       7.20842999      10.58860005      -2.08189620       0.79395431       1.04613447
Li       0.76615003       1.79854004       7.25162997      -1.20834711      -0.50906952      -1.10834510
Li       1.98250002       0.30566400      11.40050002      -0.33454100      -0.36646853       0.21151091
Li       7.23554999       0.45932099       1.45595997      -0.52134612       0.07361146       0.75801954
Li       4.39461000       4.62268004       4.81911996      -0.98707047       1.91588813      -0.46615784
Li       5.12148995       6.60749001       7.31948999      -0.04841528      -3.14749816      -1.34366691
Li       9.59869002       6.68433001       1.97257003       0.45198955      -0.56389437       0.29948986
Li       1.67811001       5.33852998       4.73236999      -0.34220659      -0.11918758       0.96403327
Li      10.35130001       3.34594005       3.77889004       0.57651889       0.25529424      -1.51672849
Li       4.22823997       9.30215005       1.82895002      -1.88361487      -3.20673029       0.16084205
Li       2.99625998       3.19224002      10.85520003       0.11041263       0.20291033      -0.54222344
Li       1.05318997       8.96945004       3.87703003      -0.03844226      -0.64980564      -0.08110237
Li       2.64552004       1.31223998       3.92633997      -0.45299372       0.00746030       0.25838969
60
Lattice="11.50542303 0.0 0.0 0.0 11.50542303 0.0 0.0 0.0 11.50542303" Properties=species:S:1:pos:R:3:forces:R:3 energy=-445.24340456 stress="-0.01402263057538681 0.0006103831108905419 -0.0033945603558266577 0.0006103831108905419 -0.018471728463508984 -0.0020267445410472942 -0.0033945603558266577 -0.0020267445410472942 -0.017740912400661092" free_energy=-445.24340456 pbc="T T T" config_type=melt 
Cl       6.72796996       7.69641996       5.68258999       0.69622644      -1.41666874      -0.93820703
Cl       8.58174006       4.36826994       5.67628996       0.71078743       1.38286975      -0.09859258
Cl       6.12895001       7.23965996       9.21719999      -0.07005445       1.08367979       0.06446798
Cl       2.14926997      10.26409995       7.32218997       0.59684499       0.14863513      -0.15463343
Cl      10.50750005       7.14030005       3.29382002       0.08873415      -0.04153104      -0.44332818
Cl       7.07698996      10.44190004      10.66809999       0.48598562      -0.62743334      -0.34046409
Cl       2.88432004       4.88140997      10.44200002      -0.51531522       0.83164876       0.26223842
Cl       0.03397367       1.82136001       4.02144000       0.05750451       0.21234686       1.23589340
Cl       3.14214000       2.94028000       7.33987001      -1.32409197      -1.03429271       2.91460341
Cl       5.23259000       2.18948005      11.02330001       0.00810398       0.39897754      -0.18830725
Cl       8.92440999       0.90066499       1.01465003       0.61893652      -0.11919090       1.16633353
Cl       7.44670005       3.56461005       1.07509998       0.71421393       1.53964780       3.15853079
Cl       5.40764996      10.95100005       2.16822999       0.00546643      -1.24613586       1.76499886
Cl       4.09145004       2.22704997       3.86200004       0.48623372      -0.64324382      -0.03470765
Cl       0.69597006      10.67750004       2.39287004       0.57712330      -1.12874685      -0.34727014
Cl       7.23103998       7.77061004       1.35135002       0.08710306      -0.17179947       2.06595386
Cl       3.33468004       8.05712004       1.37341995       0.22802300       0.23286947       0.51174394
Cl       0.26355104       4.16880998       1.91195003     -10.41543519      -2.61939551      -3.79627525
Cl      10.04410004       9.55295999       5.48281995       0.17935115       0.27814812       0.40029933
Cl      11.19789999       6.82967997       7.58956001      -1.11679021      -1.13794619      -0.41360641
Cl       3.07229001       7.18931004       7.21351999       0.31642801      -0.22610157       0.06993268
Cl       5.59611995      10.26129999       6.15005003      -0.47302789       3.36932206      -0.53123584
Cl       6.19958997       4.00254004       8.53814003       0.29342369       0.22219972      -0.47011181
Cl       3.79971002      11.07480001      10.55749997      -0.44177926      -0.94990200      -0.48196426
Cl       3.12994000       5.16578997       3.69552002       1.11033221       1.02003175       1.22985318
Cl       8.10082005       0.33757302       4.00727004       0.20478501       0.13117454      -0.45236054
Cl       0.95365299       0.82352700      11.17609997      -0.60773027       0.71418799      -0.44349977
Cl       9.35547999       1.96351998       8.80514005      -0.00163281       0.23755958       0.29516256
Cl       8.58920996       6.05311995      10.71639999       1.78732192      -1.25533034       0.51948253
Cl       0.03767692       8.39602999      10.72390003       1.07036146       0.20981004      -0.56702682
K        7.73179005       1.88818995       6.22719999      -0.61339357      -0.30786780       1.11859782
K        1.88948995       7.69401004       4.72804004      -0.39578140       0.34106240      -0.78407351
K       11.29440000       3.86236004      10.58020006       0.18204477      -0.14203989      -0.18962634
K        0.42792695       4.81113001       5.50649995      -0.61451308      -0.46527650      -0.12147130
K        0.22810203       0.53708201       7.82168997      -1.05322651       0.66741869       0.35793670
K        2.90213999      10.86220004       4.59467999       0.74055053       0.70357638      -0.59829737
Li       4.55481001       0.69417602       0.92825500      -1.07533535       1.15994224      -1.41991218
Li       8.79422003       7.10359004       5.97345997       0.65196453      -0.23128699      -0.15278632
Li       7.48505004      10.70380005       2.13048001       1.15154942       0.21272132      -0.55742504
Li       6.98570996       3.69168998      10.71600006      -0.99631736       0.02289351      -2.27211868
Li       8.66102002       0.46680401      10.53340002      -0.06914015      -0.03312355      -1.07937318
Li       2.04200998      10.22859997       0.38663594      -0.25687702       0.29206409      -0.11360099
Li       9.33545998       5.80106996       1.96978998      -0.41931780      -0.73538611      -0.06934527
Li      10.45810002       8.00003001       0.94344400      -0.12298875       0.18298397       0.89430086
Li       2.57075999       7.51100996      10.97399997      -0.35114281      -0.69065632      -0.66600952
Li       5.90439004       9.34318000       0.65457504      -1.24534876       0.11973416      -0.36564219
Li       1.69600003       4.59806994       2.44164003       9.14926326       2.35779049       2.31848139
Li       8.50042997       5.20210005       8.76371006      -0.60332071      -0.29600708      -1.09227754
Li       3.41167997       0.94194104       8.29417996       0.43063130      -1.41913304       0.39257725
Li       3.74816998       3.07972999       9.62551998       0.52346246       0.54697656       0.34251116
Li       7.28509004       2.08309998       2.64947998       0.03620997      -0.47901283       0.00410286
Li       5.21501006       5.47110996       2.29711995      -0.11479430       0.05287474      -0.15048704
Li       0.86030696       8.51740001       7.75959003       0.40823177       0.31518764       0.52194360
Li       7.52436004       9.97046004       4.90931005      -0.08517634      -0.78726824       0.77416085
Li       5.23241005       8.51752001       6.95455995      -0.57140080      -1.29896839       1.41916553
Li       3.60893998       3.46342998       5.60357995       1.03166160       0.83327722      -3.26141435
Li       7.58431998       7.88013004      10.82890001      -0.30029985       0.97516566      -1.41173291
Li       4.83686005       6.15259998       8.01841004      -0.04797606      -1.19227304       0.13765002
Li      11.09038802       1.23583005       1.86612002       0.29124057      -0.00857454      -0.53259658
Li      11.19190002      11.14002805       4.16225004      -1.01789277      -0.09218531       0.59885886
60
Lattice="11.50542303 0.0 0.0 0.0 11.50542303 0.0 0.0 0.0 11.50542303" Properties=species:S:1:pos:R:3:forces:R:3 energy=-448.29568576 stress="-0.009434607835216267 0.0013863871255909916 5.56801533874935e-05 0.0013863871255909916 -0.014721398117907177 0.009588619001523756 5.56801533874935e-05 0.009588619001523756 -0.02285875516128365" free_energy=-448.29568576 pbc="T T T" config_type=melt 
Cl       5.26007001      10.28570000       8.76451003      -2.95555962      -2.95996168       1.35209164
Cl       8.47400006       4.05300996       7.19959002       0.64055395       0.25105253      -0.16706166
Cl       6.66084997       5.41180997      10.43470006       0.42264880      -2.43412880      -1.24844321
Cl       6.03514998       8.96651995       0.67169200      -0.63278452       0.89920946       0.35959536
Cl       7.73888004       8.28579998       9.35836003      -0.30559785      -0.23219475      -1.05842293
Cl       4.95003004       2.42766002       7.90762996       0.07359885       0.26451901       0.18343880
Cl       5.65268003       6.88602997       6.10960997       0.20885466      -0.32614532       1.24012687
Cl       9.25599996       7.89099001       0.41544196       0.91110424      -0.79821563       0.77987524
Cl       8.81248005      10.16400001       6.58727003      -0.57967402      -0.61886939       4.55586827
Cl       9.28740999       4.19358000       0.91036004      -0.13462209       0.27845668      -0.08567165
Cl       0.38665401       2.02866000       6.67631004      -0.05457587       0.57161518      -0.09733000
Cl      11.41731312       9.69841005       3.72253003      -1.41162212       0.31880085       0.59630532
Cl       3.51224001       2.46008000      11.13380005       0.76070520       0.37240351       2.10795030
Cl       0.08170231       5.22498998       9.53487001      -1.27070827       1.02128484       0.70895186
Cl       0.03759040       8.41741995       8.09474001      -0.54598163      -0.14669121      -0.29745309
Cl       2.56243995       5.34229996       5.32993002      -0.06210311       0.01374303       0.33995354
Cl       9.47687003       0.92692900       4.22986995      -0.10193312       1.07128964      -0.15084021
Cl       8.09070000       1.78491002       9.33590995       0.07429046      -0.70701052      -1.31296615
Cl       3.17589001       7.15478998       9.21083001       0.93261439      -0.26515138       0.24306589
Cl       5.96810995       1.85891003       4.91426002      -0.08492544       0.29557650      -0.36031772
Cl       3.73758005       9.88206997       3.73886003       1.05273992      -1.03897670      -2.12008841
Cl       0.63209897       2.03698004       9.99038996      -0.39758594      -0.87786803      -0.01764636
Cl       1.84059995       1.29787994       3.33610004       0.40133213       0.35418769       0.36476187
Cl       1.93197004       7.04153002       1.40992999      -0.18287808       0.04129189      -0.01406559
Cl      11.13949995       5.97491000       3.29230004       3.82820224      -5.62360810       5.15200157
Cl       8.53284006       0.30102904       0.37677200       0.26493724      -0.55481120       0.59041408
Cl       1.92781002       9.99026996      11.28830005       0.22018465      -0.12434485      -0.22224859
Cl       2.54074004       9.28257001       6.33364000       0.45505313       0.91577634       0.97676827
Cl       5.31401997       6.20066998       1.68273002       0.01048391      -0.84263186       1.05162440
Cl       7.69936006       5.10763006       4.41825997      -0.10759481      -0.02363216      -0.68970446
K        4.39936001       3.21413001       2.68281004      -0.20846236       0.20677671       0.02813899
K        4.37362998      11.19970001       1.14201000       0.00253343       0.37339649      -0.13468790
K        9.91904000      10.35060002       9.44514002       0.30963750       0.37580979      -0.02083836
K        8.57959004       7.06793002       6.80765998       0.38339620       0.12667669      -0.34374426
K        0.98622703       4.11323004       0.73861594      -0.04885660       0.34942564       0.23678848
K        0.51058697       0.56040799       0.93335996      -0.93563624       0.02470508       0.34658475
Li       0.14557697       0.45471998       4.85674004      -0.05537540      -0.11558678      -0.34261216
Li       6.46946002       7.30742000      10.98904400       0.39655807       0.89839473       0.40870167
Li      10.25759996       7.04814000       2.36738000      -3.78720990       5.30238532      -4.55128287
Li       7.41943001       5.41695002       2.25298998       0.19494073       0.01166035      -0.48945461
Li       3.35395001      11.07720004       5.31304995      -0.20824355       0.79978091       0.81596412
Li       3.17969002       1.85965995       9.24066001      -0.29760593      -0.30292782      -0.97630304
Li       7.98460999       9.53089006      11.27339995      -0.42854190       0.58966711       0.52871510
Li       7.12117999       3.68612998       8.84302005      -0.99140782      -0.01108760       0.11937585
Li       1.49985005       7.51937003       6.58037000      -0.03878550      -0.72317090      -0.22867922
Li       1.65194001       9.26948006       2.80501995       1.28787005      -0.82797018      -0.71392790
Li       2.86620004       9.38077006       9.37261996       0.20965228       0.29034927      -0.55176440
Li       4.99505996       7.57081998       4.28019996      -0.79580032       0.46945902      -1.21414008
Li       0.55468404       3.56676996       8.58357000       0.51297753      -1.14912828      -1.35367990
Li       9.05201997       5.61393000      10.16099997       0.18310005       0.35616540       0.65500373
Li       9.77097004       2.10541004       7.58205997      -0.33010789      -0.04954009      -0.03283541
Li       8.91073004      10.41560002       4.81751000       0.52625389       0.62437488      -4.44054213
Li       0.99218097       7.10888000       9.44816998       0.21480522       0.40171069       0.70705238
Li       3.77110996       7.15045002       0.31652397       0.03151689       0.22100984      -0.17564482
Li       5.44911999       7.78884004       8.18855005      -0.17749022       0.43737743       0.10689932
Li       0.53610197       4.44372999       5.09081995       0.03505814      -0.04305295      -0.44914806
Li       8.03034002       2.87717000       4.65728997       0.13557254      -0.42681070       0.01648217
Li       8.33235001       2.61302999      11.25682397       0.13671660      -0.56173160       0.89409455
Li       6.30328996       0.12962504       8.14590002       2.34250181       3.39678210      -1.44189960
Li       5.49179004       4.04402998       6.18360997      -0.02872457      -0.13986610      -0.16314963
60
Lattice="11.50542303 0.0 0.0 0.0 11.50542303 0.0 0.0 0.0 11.50542303" Properties=species:S:1:pos:R:3:forces:R:3 energy=-445.94229405 stress="-0.015526149256615093 0.003940737230859985 0.00042032456425668003 0.003940737230859985 -0.015720777180872468 0.0006213137285095005 0.00042032456425668003 0.0006213137285095005 -0.023434124685487362" free_energy=-445.94229405 pbc="T T T" config_type=melt 
Cl       6.83639005       0.67914499       1.90418997       0.21345845      -0.15702223       0.15098596
Cl       3.82585000       5.25822005       8.68914997       0.12401262      -0.22498068       0.48912215
Cl       4.42573999       0.84626597      10.22289995      -1.00928649       1.07274125       1.20632975
Cl       3.91422005      10.31669998       4.29632999      -2.19731224       1.10957941      -0.75176628
Cl       5.19015006      10.61650001       7.73550998      -0.21199068       0.22922686      -0.49530476
Cl       0.07017698       3.37241000       4.31684001      -0.02734733      -0.60938054      -0.09321236
Cl       1.07623004      11.28942206       1.37631000      -1.43144599       1.22971265      -0.17464950
Cl       1.02961996       3.04722003       8.38912996      -0.54510643       0.26615660      -0.41281278
Cl       0.43277200       5.60155005       1.59283999       1.25078631       0.36229166      -0.93643782
Cl       2.75598004       5.46123002       5.83916004       0.29603428       0.14164251      -2.24867797
Cl      10.27410000       6.61551999       9.89261998       2.15410906      -2.34846369      -0.04434729
Cl       6.50202002       4.23814004       0.41554505       1.96541723      -0.99549732       0.32868199
Cl       1.02427006       0.62598096       6.00303995      -0.90020585      -1.66104028       0.14952810
Cl       5.16372003       4.94966003       3.60290999       0.29961944       0.57787120      -0.68168212
Cl       1.57687000       8.70173000      10.98220000       0.29844811       0.27823256       0.24754965
Cl       8.97217003       9.21392003       0.28164401       1.44633891       2.17152011      -1.04282515
Cl       5.88484002       8.53188004       5.55904004       0.54543452      -2.01949253       0.90226578
Cl       1.67692001       8.28078005       7.21372996      -1.79625515      -0.66238168       2.37605203
Cl       6.71800005       3.19863002       9.09889997       0.50791246      -0.22031297      -1.14878516
Cl       4.74489997       2.21747999       5.31807000       0.36832784       0.66966340      -0.79187023
Cl       9.25880003       8.28085001       6.01035004       1.82315407      -0.46527355       0.31570258
Cl       7.09759997       6.40221002       9.78504002      -0.06945826       0.97462611      -0.27054047
Cl       5.71708003       8.69693995       1.78314003       0.44201639      -1.05475626      -1.58614412
Cl       1.13603005       8.95929006       3.57276003       0.11639910      -0.69160330       1.41225076
Cl       8.19897995      11.27979996       8.70096006       0.80465412      -0.30819624       0.12972238
Cl       8.78373997       6.08995997       2.69791999       0.09563394       0.00201841      -0.79277717
Cl       3.86950997       5.34314998       0.52806302      -2.89361560       1.11509202       1.18050036
Cl      10.39729996       2.90872995      11.19659999      -0.30735460      -0.36721789      -0.42037863
Cl       8.34158000      11.47756012       5.01680004       0.02842408       0.28785091      -0.30266235
Cl       7.50531995       5.08007998       5.67889997       0.51072877      -0.76436376       0.54553903
K        0.12108905       6.11258999       4.16237004      -0.26938668       0.76124949       1.38647211
K        2.19863997       3.04689995      10.90059997      -0.56195562      -0.27373970       0.63139230
K       10.80989996      11.07100000      10.33050005       0.27100460       0.39514604      -0.00911091
K        3.29037001       1.39851006       7.42035999       0.10032900      -0.34347979       1.93821300
K        5.05352995       9.64142001      10.63460000       0.22268071      -0.52427222      -0.63857016
K        8.98748996       2.32363995       7.06697000       0.24066397      -0.24841630      -0.35400811
Li       5.80115004       6.14680999       0.82039097       0.23932392       1.03356654       0.36421737
Li       0.74104002       6.71798004      11.23009998      -0.10635204      -0.10135017      -0.43998661
Li       8.19224997       7.85290004       1.34167005      -1.37047201      -1.91374553       1.58334825
Li       9.12043996       8.14310996       9.79671998      -1.96509559       1.33372249      -0.26402766
Li       6.58939002       3.60866995       4.01545994       0.74543267      -0.46692590       1.15771460
Li       3.30463006       5.46066004       3.08169005      -1.18812771       0.26507804      -0.44568080
Li       4.64519995       4.14843997      10.60350003       1.44800585      -0.40582071      -1.46096693
Li       8.96629997       0.69392600       2.63674002      -0.14547306      -0.25850053       0.57231159
Li       2.31435001       9.17296003       5.67923995       1.26770793       1.74254534      -2.83446628
Li       7.61141997       9.45980000       6.36516002      -0.61023252       1.46224569       0.48966758
Li       3.39425005       6.97020997       7.35398003       0.67098369       0.05754958      -0.06748421
Li      10.35490006       4.26289005       1.33745998      -0.63971468      -0.06342733       0.53550545
Li      11.10100005       9.69110998       6.26255995       0.15591979       0.23161115      -0.31741635
Li       5.19974995       0.13728202       5.23229995       1.14550731      -0.29685198       0.68393470
Li       6.48347995       5.29560002       7.65681001      -0.35331365      -0.08727534       0.65693653
Li       1.56354005       5.02561998       7.41038997      -0.56679192      -0.61156768       1.21391521
Li       8.38061997       6.84755998       4.65682998      -0.78424621       0.01375897       0.27773342
Li       8.98313999       4.37804000       9.74233005      -0.34104006       0.30382763       0.62051469
Li       6.21112001       0.88310197       8.97158003       0.42192882      -0.05404804      -0.26723744
Li       5.44194003       9.16038000       3.70771001       0.53783623      -0.15359647       0.00115059
Li       0.04697894       9.01733998       1.85565998      -0.20809551       0.36681834      -1.36112630
Li       6.11180002       2.62220004       1.61515004      -0.57467242      -0.27122776      -0.12225990
Li       2.34796000       2.04673997       5.18045996      -0.40037020       0.88682494      -1.19918744
Li       2.90516004      10.43280005       1.42242005       0.71648433      -0.71794153       0.42914536
60
Lattice="11.50542303 0.0 0.0 0.0 11.50542303 0.0 0.0 0.0 11.50542303" Properties=species:S:1:pos:R:3:forces:R:3 energy=-446.36755927 stress="-0.0027382313803888956 -0.004962164649506788 -0.0010349915162112446 -0.004962164649506788 -0.020268489140595005 -0.0020845154689202667 -0.0010349915162112446 -0.0020845154689202667 -0.017316652446311868" free_energy=-446.36755927 pbc="T T T" config_type=melt 
Cl       6.60600995       1.26882001       8.18004996      -0.20765684      -0.40380167      -0.00561352
Cl       7.53282999       4.54853001       7.06489995      -0.26246124       0.80053617       0.07392016
Cl       0.21886904       1.37928001       7.64486002      -0.25679102      -0.77540393      -0.21935153
Cl       6.30777005       4.52108003       2.60007995       0.57801165       0.18934260      -0.41513428
Cl       0.73192796       8.53366005       4.99743998      -0.28166671      -0.51498984       0.29737707
Cl       2.20946002       7.19495000      10.81179996      -0.19362696      -0.39396911      -0.29659143
Cl      10.24929995       7.90019999       1.87101995      -0.23784064      -0.44199927      -0.10265355
Cl       1.40829001       2.95852001      10.18279998       2.35962653       2.44431971       0.90913142
Cl      10.32230002       3.62135997       2.09716997       0.58374582       5.05091106      -2.81180026
Cl       7.13514999       8.52964995       7.60151000      -0.42687375      -0.17208967       0.80357527
Cl       5.59767997       1.71110998       3.61186995       1.01894993      -1.34801833       1.02276158
Cl       9.23301005       9.93148001      10.76599998      -0.07465611      -3.05416852      -1.05982337
Cl       1.04934003      10.47319997       9.46882003       0.40822593      -0.27873671       0.30566942
Cl       5.61352995       2.61496002      10.73189998       0.37479841       3.33350179       1.10814692
Cl      10.24839999       8.45058997       7.98942995       1.17541031       0.05316307       0.61914767
Cl       6.30284999       6.54954996      11.34300005       1.33166633       0.09933945      -0.34178089
Cl       0.80402796       0.21362706       1.80317995       0.09200819       0.10991167       0.09367325
Cl       7.23977996       7.89441000       4.52989997       0.32563368      -0.59436361      -0.29863683
Cl       9.57517006       3.05792997       9.75771004      -0.87307563      -0.20302155       0.46784642
Cl       2.83354005       0.34753396       5.54664996       0.18113845       0.71660153      -0.54551393
Cl       4.09537005       8.45014000       2.98852995       0.06239918       0.27788263       0.41531399
Cl       0.44825301       4.80139999       7.05283996       1.17365305       3.62869433       0.80568188
Cl       1.90312997       5.46243004       2.54104999       0.91140515      -0.35875798      -0.30612105
Cl       3.46474999       5.90820006       5.93164995       0.18535203       0.94813727      -1.02830446
Cl       4.56280997      10.43789995      11.41280000       0.55397570       0.78953234       1.19542053
Cl      10.32660005       6.41818001      10.32550002      -0.13068607      -0.95789410       0.16624927
Cl       9.79716996       2.32218003       4.96354005      -0.16463705      -0.06686292       0.99604690
Cl       8.04456003      10.92959996       5.49401001       0.57500276       0.42760204       0.06110674
Cl       8.69203001       0.67261002       1.90278999      -0.67488670       0.10888899      -0.02892500
Cl       3.77423000       8.68721004       8.14015997      -0.83101078      -1.95709257      -3.69899693
K        3.35376005       3.87531998       7.62027995       0.01004469      -1.26699658       0.84798289
K        3.39539001       2.07173999       2.48768002      -1.99595905       0.26660671      -1.16432672
K        9.13899004       5.19689995       4.91151000      -0.32947099       0.51698901      -0.80102477
K        6.73070998       9.76578995       2.05798997      -0.03244012      -0.21491913       0.14966401
K        1.49642995       8.69037001       1.70248000       0.53874612       0.72483462       0.52531890
K       10.21810000      10.47680001       3.66845995       0.55577816      -0.08013664      -0.30177451
Li       1.64652003       7.40433996       7.37058006       0.05942221       0.19229852      -0.22067509
Li       8.70364002       7.46613996      11.47110005      -0.24226715       0.41268170       0.55310116
Li       7.03998001      10.88160003       7.40542998      -0.39249340      -1.12129865      -0.23142935
Li       9.72363995       8.63612999       6.06508996      -0.96808200       0.10711234      -1.35717271
Li       5.23799996       7.41132996       6.27622000       0.66882122       0.39603821       0.05098272
Li       3.88546995      10.48620006       4.31835999       0.35688403      -0.62695489      -0.49068671
Li       4.01643998       9.69355005       9.65579995      -0.30893945       1.09749755       1.79811851
Li       7.64083002       3.94686001       0.36739600      -0.37859268      -0.07397254       0.34897027
Li       0.63651705       1.22017002      10.05999996      -1.03489570      -2.48774828      -0.29102271
Li       2.14339001      11.00760006       7.29077004      -0.78261038      -0.43028115       1.10994082
Li       0.93483702       6.29939997       4.19602997       0.07008250       0.62139935       0.90251699
Li       7.09486997       3.37860003       8.73790996       0.30638912      -0.57341908       0.77775922
Li       9.80275998      11.29210006       7.95323999       0.52418333      -0.03110660      -0.03231485
Li       9.07542004       0.19783701      11.28029998      -0.10195391       3.22475005       1.01352619
Li       5.36715996       0.76339000      10.37209997      -0.06609225      -2.20843227      -0.67349538
Li      10.05510003       2.09492998       2.92671005      -0.20437944      -4.42723144       1.28601271
Li      11.47060003       4.41227002       9.77805002      -0.88188851       0.25145700      -0.63111323
Li       4.19923998       6.49925999      11.34060002      -0.13888140       0.00369271       0.23702539
Li       7.56078000       1.75436002       4.42292001       0.34322893      -0.34067677       0.30506890
Li       0.21635200       5.05151006       1.24033005      -0.28843820       0.13153513      -0.34316345
Li      11.22030001       3.18277002       6.54545000      -1.51700166      -3.16611478      -0.82024277
Li       8.66654998       6.84956997       8.62564004      -0.39111250       0.16529107      -0.51631230
Li       4.61664004       5.45039997       3.50486998      -0.26821036       0.70764076       0.30743366
Li       0.16761296       8.11622995      10.81160000      -0.38500475       0.77226921      -0.52048928
60
Lattice="11.50542303 0.0 0.0 0.0 11.50542303 0.0 0.0 0.0 11.50542303" Properties=species:S:1:pos:R:3:forces:R:3 energy=-447.16416909 stress="-0.012535985913944503 -0.0037227939682591086 0.0018905737299346817 -0.0037227939682591086 -0.013520667464978653 0.002195773845609719 0.0018905737299346817 0.002195773845609719 -0.016972284351785244" free_energy=-447.16416909 pbc="T T T" config_type=melt 
Cl       2.91143004       9.99653995       1.81985004       0.16000507      -0.02256630       0.04858477
Cl       6.53471004       4.36103004       5.44808001       0.54464310      -0.92394958       0.15911777
Cl       3.41657000      11.03889999       5.83080998      -0.45685048      -0.73533004       0.82948849
Cl       6.09170005       1.61875998       0.24890602      -1.34475165       0.43305586      -1.66446051
Cl       6.89652004       4.75104996       8.80921999       0.95430095       0.68967454       0.90534869
Cl       8.48954998       6.07722002       2.85069004       0.25332074       0.85705599       0.10326798
Cl       8.04557998       2.89845998       2.70865996      -2.42914772      -3.71624601       1.85588156
Cl      11.46119998       3.98468996       2.45643002      -0.87063520       0.10617179       0.69815678
Cl       2.88682995       4.49095998       5.45166004      -1.31131197      -0.42882495      -2.17999920
Cl       6.60266003       9.13973996      10.14400001      -0.55820546      -0.26379126      -0.38447492
Cl      11.39354602       5.80150003       8.00434006      -0.38545713       0.43673366      -0.63408273
Cl       9.77916995       9.17453995      10.01260003       0.42525362       1.59373529      -0.03598271
Cl       0.54719596       7.41407999       1.46208994      -0.08804326       0.64204288       0.79425259
Cl       5.52875006       7.50589004       3.33891001      -0.83982418       0.35533748      -0.55520277
Cl       6.06585001      11.34789998       3.77751997       0.31449345      -0.11118507       0.21911499
Cl       0.23238297      11.39559997       8.06307996      -0.22693179       0.08831931       0.75089136
Cl       2.20156995       7.76006002       4.80979999       1.58588766       0.30740708      -1.33560328
Cl      11.11350000       8.42491999       5.65708005      -1.93794427       0.85123207      -0.31664423
Cl       7.25406003       0.79534504       8.52416002       1.09910370       0.23065352       0.37827291
Cl       4.39908998       3.03359002       7.79707999      -0.01662862      -1.54934533      -0.27275129
Cl      11.36620005       5.13839004      10.96220000       0.14902362      -0.51313781       0.04170033
Cl       2.57821999       1.54344997       3.36028996       0.60525716       0.00102509       0.34015025
Cl      11.41720002       3.01537003       5.75152001      -1.51414587       0.00858722       1.32528002
Cl       1.85201000       1.41760998       0.00817702      -1.02041563       0.43925222      -1.17565501
Cl       3.96047000       4.97450000       1.18635006      -1.01768985       0.04325751      -0.25104842
Cl       2.72008001       8.72780002      10.16039996      -0.78731747       0.06323508      -0.13171296
Cl       7.66846006       7.49504998       6.66735997       0.17244154       0.93885473      -0.15380525
Cl       3.66893996       6.09545001       8.99411996      -1.40818846      -0.64711249       0.13434968
Cl       8.60740003      11.18319997       1.38920999       0.10495714      -0.47366541      -1.32228667
Cl      11.17650001      10.99350005       3.77977998      -2.11987103       2.96405854       1.13660396
K        6.89747004       9.07689999       1.35648006      -0.69708268      -0.75226008       0.47180455
K        1.97174003       3.36122006       8.88766995      -0.92185309       0.12291098       0.09099822
K        4.07100997      11.06269999      10.40000005       0.32264010       0.80668157       0.35341676
K        5.78972998      10.22589999       7.62464005      -0.54443356      -0.78260789      -1.01479056
K        8.61254997       9.88027006       4.23467001      -0.54783135      -0.75509657       0.43886840
K        9.85322001       3.26551001       9.28366003      -0.29702759      -0.02910305      -0.35725985
Li       6.50958001       2.78874001       7.96090996       0.03104519       0.32481639      -0.20975722
Li       3.28391006       6.60579997       2.90555997      -0.18534746       0.18682134       0.47215228
Li       9.08192003       4.15803998       1.97304003       3.34668263       2.95142749      -1.78019006
Li      10.72169996       6.92894002       3.49129001       0.47045388      -0.17100776      -0.60110499
Li       9.41289999       4.18075997       5.50155998      -0.30423079      -0.09829790      -0.03717561
Li       0.87500698      10.61310004       6.20107003       0.47935858      -0.13602976      -0.56649371
Li       6.65197998       6.21645002       4.51350002       0.70531356       0.16091947       0.67806920
Li       2.40942001       6.63894997      11.04390001      -0.24267481       0.07188619       0.03566729
Li       3.97911006      10.46590001       3.71199003      -0.20394141      -0.09228047      -0.07335469
Li       0.91290699       6.88295998       6.18731000       0.38170756      -1.35393348       1.04642483
Li       8.26251002      10.97329998      10.45909996      -0.32222711       0.01133876      -0.28144219
Li       6.65811997       1.06984004       2.03983004       0.67834635      -0.13838761       1.39676149
Li       0.87701606       9.73938006       3.12975004       2.91948425      -2.80433403      -1.66189263
Li       9.57930005       8.81782996       7.11382998      -0.39582472      -0.37368880       0.86746820
Li       0.69628899       9.73757003      10.40309995      -0.10176790       0.05527209      -0.20191810
Li       3.79935002       5.09283006       7.03865999       1.38157217       0.41576266       1.07562724
Li      10.01010002       7.21473001       9.82388003       0.69818386      -2.35165608      -0.23544066
Li       1.20562003       3.75624000       0.79760701       0.22862825      -0.07357896      -0.57371675
Li       3.87085001       1.61704003       5.60097006      -0.09575734       1.20999379      -0.17860742
Li       6.02986001       4.96304003       1.70477004       0.52553386      -0.10496462       0.44465904
Li       5.54129005       6.82133003       9.05411004       1.80736708       0.14371445       0.05017927
Li       0.88502705       2.72909002       3.98344001       0.59698066       0.13028644      -0.39316351
Li       9.45142003       0.74688696       2.83507004       1.00998540       1.63516600       0.84862755
Li       3.32367004       1.84822000       1.34998996       1.24138872       0.12569386       0.58883149
60
Lattice="11.50542303 0.0 0.0 0.0 11.50542303 0.0 0.0 0.0 11.50542303" Properties=species:S:1:pos:R:3:forces:R:3 energy=-445.1145731 stress="-0.02344963007339372 0.0028719791315531848 0.004123497643288043 0.0028719791315531848 -0.02088602457779666 -0.003935855721606595 0.004123497643288043 -0.003935855721606595 -0.01659226835848234" free_energy=-445.1145731 pbc="T T T" config_type=melt 
Cl       2.17192001       7.89482995       9.46390997       0.61267897      -0.29582263       0.82162031
Cl       1.19366003       4.96168998       7.98072000       3.97310693       0.45856956      -0.75895346
Cl       6.75503003       8.10072996       1.90845997       2.21278964      -6.11878874      -1.08621491
Cl       7.26354004      11.33365799       0.20555796      -0.04295353       0.35651111       0.73094295
Cl      11.20179998       4.96393998       4.90256004       1.00172630       0.25324415       0.01822399
Cl       2.76027996       8.54934999       6.34791006      -0.88950685       0.03237344      -1.77155703
Cl       4.43970999       0.53821897       1.10509001      -0.46279019       0.37533954       0.12397968
Cl       5.07959997      11.35990002       8.34702000      -0.56081773      -0.07245694       0.02677902
Cl       3.50514001       3.20450998      10.49049998      -0.52628971       0.58228405       0.44247717
Cl       1.64962995       2.40708004       1.88229998      -1.52013407      -0.96718290       0.44551934
Cl       8.68083995       7.78528003       5.56319004       2.57571731      -1.15761258      -1.37706876
Cl       5.82152004       5.79975995       6.65663001      -0.05125052       1.72294354      -0.01648739
Cl       6.59726997       9.73791001       5.39544006       1.25711370      -1.12817676      -0.96040674
Cl       5.84974998       8.15964003       9.33979004       0.24279627       0.15045178      -0.31515268
Cl       3.28116003       2.48494000       6.34510998      -0.90532893       1.89900491       1.86857857
Cl       9.20146000       3.93348001       2.72141004       0.04741880       0.24801145      -0.68410407
Cl       8.13916003       2.47597003       5.48000998       0.28658091       0.94105058       2.25462088
Cl      10.65609995      11.02039996       0.90089004       0.12935915       1.70957573       0.53597135
Cl       8.55757004      11.38110003       3.60372998      -0.27772267       3.12713837      -0.98100421
Cl       4.24125997       0.39059600       4.96640997       0.40647173      -0.69412526      -2.32378770
Cl       9.67983006       6.39562995       9.50907002       1.97425717       0.69572696      -0.67227875
Cl       6.27750999       3.57770000       1.43205999      -0.04315874       0.87386490       0.71358282
Cl       0.01797699       8.11063003       2.70946005      -0.88710603      -1.15981188      -0.16037171
Cl      10.24960001       2.88269996       8.56721999       1.45333709       0.33129277      -0.11235216
Cl       6.15338005       3.13009003       8.69705006       0.75800732      -0.37627767       0.46727059
Cl       0.40559297      11.32720000       4.51107997       1.04695523       0.00496544      -1.38680260
Cl       8.68196000      11.20340004       8.94514000       0.56224401      -0.31917335      -0.60555066
Cl       1.69314001      11.11270003       9.29945997      -0.20944928      -0.12608257      -0.80445366
Cl       3.01920997       9.33359000       1.99468000      -0.05400902       0.09362170      -0.20823302
Cl       3.48620001       4.19236997       3.74816998       0.15187284       2.41456558      -0.81554222
K        0.48086697       1.67154997      10.51280002      -0.07603079       0.61788497       0.52007106
K       10.13259998       0.44160103       6.27102001      -1.18207122       0.42048095       1.31084129
K       10.91339998       8.67488003      11.12570000       0.17810203      -0.63051903      -0.11599734
K        7.32208999       5.66288005       9.97656999      -2.17922698      -0.79274926       0.28374230
K        2.54450001       7.02011003       3.95519005       0.00759728       0.15768739      -0.43221125
K        0.02437700       8.19185004       7.70089005      -0.27513697       0.02885182      -0.50416306
Li       3.90198000       9.15889005       7.83237000       1.04411446       0.42934512       2.52046007
Li       7.51127999       7.70346002       7.15789000      -1.86728495       0.15360436       1.32524662
Li       3.26974999       3.54755004       1.11591995       0.69151212       0.12671877       0.24542394
Li      10.81150002       5.60595996       2.49409003       0.26947886       0.31981362       0.29238166
Li       5.55166000       3.81809994       6.67277005      -0.10309740      -1.59363073      -0.21775924
Li       2.45039002      10.78640002       5.04424001      -0.24803677      -0.78599830       0.22211801
Li       3.50814005       2.26773004       4.14778002      -0.04876027      -1.52666801       0.10278285
Li       8.83521005       9.53003003       3.95688998       0.20385016      -2.97681043       0.53376714
Li       8.64827995       0.71628403       1.56087999       0.19759762      -0.46248567      -0.54091504
Li       2.44122998       0.07757693       2.08712999       0.19727775      -0.13271012       0.03871186
Li       8.60894003       1.91164997       8.67126997      -2.83447454      -1.18668985      -0.02055579
Li       2.63843995      10.16850001      10.94970005       0.73870842      -0.70303160       0.50414571
Li       3.86865995       2.21577995       8.66758996       0.43432002      -0.78357253      -0.77776829
Li       7.32956000       2.11607004       3.75251006      -0.66274400      -0.31487019      -1.55095686
Li      10.88649996       4.79425996       8.15765995      -3.37711366       0.57214651       0.35235127
Li       5.91164996       2.05135997       0.15327294      -0.63592980      -1.42677491      -1.19587299
Li       5.14915002      10.61200001       6.23820999      -0.83948542       0.83142213       1.47228528
Li       9.22967003       5.58059004       4.72837001      -1.08654871       0.09138940       0.19146431
Li      10.97069998       1.10777998       2.55141995       0.62780570      -0.20876683       0.49242497
Li       6.57394997      10.49940000       9.84242999      -0.00391475      -0.43983336      -0.68166955
Li       3.25131002       5.93756006       8.12454999       0.09900781       0.39452193       0.28444086
Li       6.60017003       5.69213006       1.88037995       0.10088724       0.59727782       0.40536520
Li       1.53143002       3.96984002       5.46197005       0.72142118      -0.30339728       0.53888022
Li       6.17077004       9.70603999       2.23947997      -2.35374050       5.67233903       0.99171989
60
Lattice="11.50542303 0.0 0.0 0.0 11.50542303 0.0 0.0 0.0 11.50542303" Properties=species:S:1:pos:R:3:forces:R:3 energy=-445.4822625 stress="-0.0168574642516716 -0.004279037692221954 0.0018939286222294626 -0.004279037692221954 -0.019367792162955023 0.002480472226598602 0.0018939286222294626 0.002480472226598602 -0.031725897706970214" free_energy=-445.4822625 pbc="T T T" config_type=melt 
Cl       5.69716000       0.59361195       0.51052404      -0.39901014      -1.10347942       0.00930831
Cl       0.51959204       9.27433995       6.71227001       0.18389023      -0.44231150      -1.14845814
Cl      10.43290004       7.50940000       8.85058003      -1.83044894       0.00948501       1.48990810
Cl       8.68677997      11.03990004       8.19316004      -0.25554553       0.51579260      -0.23533903
Cl       3.30555003       7.08264005       5.71048995      -1.23811542       0.37960991      -0.39269101
Cl       3.97740000       8.28364997      10.98879997       2.52911187       1.90597766       0.92854225
Cl       1.23902004       6.40059005      10.81900006       0.70940513      -0.47504283       0.15889973
Cl      10.59650002       2.06351005       8.66489999       0.21749264       0.88792722       0.68165023
Cl       2.42255000       0.53458602       1.26995996       1.09629606       0.96614999       0.79736169
Cl       4.65156004       2.76455998       7.31294997      -0.77224239      -1.95939239       0.47265203
Cl       6.10165995       1.93467002       3.79486003      -1.02235217       0.27524068      -0.02664365
Cl       5.35270006       5.95656000       8.74507001      -0.09370609       0.21246636       0.38596636
Cl       6.44574999       8.84315006       3.32483001       1.10040527       0.11358923      -0.15604390
Cl       0.21158300       8.22499003       2.49368999      -0.11011042       0.16722676      -0.32727186
Cl       3.35312001      10.70609999       5.48179999       1.15843202      -2.96924622      -1.09845540
Cl       1.62745003       0.82285600       7.07544996      -0.84949251       2.05203944       1.24270328
Cl       1.29895996       9.72116997      10.27099998      -0.50826647       0.72301824      -0.13281562
Cl      10.39930006       1.99575001       3.57842001      -0.37496882       0.46629263      -1.03373507
Cl       6.11365999       6.17266003       5.43593995      -0.79734774      -1.02736087       0.44933633
Cl       4.96223005       9.91409002       8.12107995      -0.18966064      -1.22682056      -0.55255460
Cl       8.71416000       8.40960996       5.85120001       0.56344984       0.50320342       0.45084713
Cl       2.63070002       3.40865001      10.88009995       0.87808481       0.26694129      -4.53370559
Cl       9.47520001      11.06219996      11.34539997       0.35856024      -2.20091338       1.88698076
Cl       8.37360005       5.04804002       3.10425000       0.38683507       0.99689195      -0.75621649
Cl       7.74150995       2.61205997       6.45618000       1.48029492       1.92912483      -0.90207566
Cl       3.69258004       9.21505998       2.49527003      -3.54853459      -0.99927405      -1.07604187
Cl       7.49122005       2.96962999      10.47020004       0.06403460       0.52648151      -1.98930474
Cl      10.76919998       5.32248003       5.95334999       0.19348751      -0.61231350       0.00880605
Cl       1.85237000       4.81027999       2.74651004       0.24258786      -0.41602817       0.14201071
Cl       5.15414004       4.69723001       1.15798999       0.98093459       1.57156219       0.24010799
K        7.59571000       2.42902997       1.45607997       0.65073755      -0.26535916       1.37951196
K       10.47049999       0.95983198       6.06259996      -0.41530128      -0.40376878       0.08204963
K        9.17109995       9.80699996       2.88696997       0.08000594       0.27723331       0.11650028
K        6.63801999       7.12999004       0.02668154       0.10060118      -0.08892425       0.27324951
K        4.54066996       0.69538903       9.37899995      -0.82817561       1.36017433       0.95239291
K        9.09250997       4.75181001       8.61486003      -0.33462429      -0.26163914      -0.31726627
Li       9.52262997       1.26335999      10.47069995      -0.31558554       2.11963079      -1.32999953
Li      10.71730006       7.25872997       6.95688002       0.20411671       0.27559795      -2.48690048
Li       7.01211997       9.84245001       8.44382996       0.37598222      -0.78461083       0.00084556
Li       3.02921002       1.06776999       5.55424999       0.22494523       2.75056480      -0.07325281
Li       3.46434006       7.11248995       9.55842000      -1.20038093      -1.72728250      -1.52966859
Li       4.47852998      10.61659999       3.61254003       1.44210209       1.59555807       1.03417236
Li      11.27620003       7.92168004      10.64860003       0.81041645       0.75085612       1.02129512
Li       2.55544006       7.85060000       0.84919594      -1.80831913      -0.70968379       0.76771133
Li       7.15153003       1.09456002       7.47502997      -0.60675151      -1.09139448       0.87118706
Li       2.21211996      10.39000000       7.61012998       0.32337464      -0.79562211       0.29539713
Li       7.87694005       3.38636999       4.27831997      -0.08120611      -0.95689327       0.95176387
Li       2.36324001       3.14456005       1.15981004      -0.91312223      -0.54533448       3.69963872
Li       4.66132998       3.81304998       2.84986003      -0.40864168      -0.90025341       1.81578069
Li       4.56173996       7.84450005       3.52016000       0.94269795      -2.33014881       1.98958039
Li       7.89833001       6.77254002       4.76204995       0.98726056       0.08246369      -0.81009610
Li       4.89739998       4.12291001      10.77420001      -0.35672591      -0.73956775      -1.82043979
Li       0.75400698       3.41718002       8.01489997       0.33525680      -0.27170870       0.04438810
Li      10.53450005       9.82537999       8.12472004      -0.04975654      -0.28335043       0.70256634
Li       1.39291002       8.36955003       4.35212001       0.34567154      -0.07391387       0.65108596
Li       0.71429497      11.18179999       0.74534201      -1.50533130      -0.98104186      -0.90049178
Li       4.04787003      10.35510002       0.91625300       0.46649701       1.51423185      -1.86942995
Li      10.67880003       4.87274006       3.48389997       0.56817256      -0.34135265       0.22834716
Li       4.89509003       4.57540000       6.61361998       0.44696191       1.97700994      -0.50456778
Li       4.96866998       7.75983003       6.98272005       0.36562092      -0.18830862      -0.21907930
60
Lattice="11.50542303 0.0 0.0 0.0 11.50542303 0.0 0.0 0.0 11.50542303" Properties=species:S:1:pos:R:3:forces:R:3 energy=-447.44336477 stress="-0.01935063068422475 0.0024966381159666966 0.0070147902697445235 0.0024966381159666966 -0.013826551781125579 0.003022139224314913 0.0070147902697445235 0.003022139224314913 -0.01044452099272575" free_energy=-447.44336477 pbc="T T T" config_type=melt 
Cl       9.29292995      10.73269995       0.03717655      -0.49535442      -0.77693726       0.80311308
Cl       6.76474003       4.71844003       0.95666396      -0.78587329       0.95270905      -1.64077379
Cl       2.46815002      10.34350002       8.20319001      -0.74148372       0.21230560      -0.30552188
Cl       1.05168000       4.80747002       2.48243999      -0.09891249       0.44497406      -1.54516148
Cl       0.24837401       8.08577004       4.70513999       2.37640067      -0.91833381      -0.83014974
Cl       4.19031004       7.45381995       7.78186004       0.69872704       0.00998192       0.42340385
Cl      11.14820001       3.55578999       5.62858998       0.13627442      -0.03317770       0.23670118
Cl       2.12362001       5.23334004       9.35977002      -0.44418750      -0.76540361       0.72418045
Cl       8.00956997       8.04471995      10.06140005      -2.68473224       0.65588733       1.07373270
Cl      10.20999995       6.61885000       0.53823899      -2.93522526      -0.12293546       3.14752740
Cl       7.39778003       7.50387004       5.95899995       0.18492629      -0.40857718       0.14677653
Cl       5.50830998       4.19338004       8.17457004      -0.24256914      -0.21315184      -0.26239719
Cl       0.47768998       1.22269994       2.70405998      -2.29550477       1.09507565       1.81164450
Cl       3.56236005       1.48126995      10.03110006       1.25106451      -0.07217794      -0.34641299
Cl       6.12303001       0.20684300       7.74635005       2.00154563      -2.87039028      -1.27763958
Cl       0.83473696       1.39106996      11.05439998      -0.31716354       0.16269781       0.47628826
Cl       3.89513002       3.11875005       1.58519003      -0.22910092      -0.29257148       0.49149790
Cl       3.90388001       5.71496004       4.90509998      -1.01767372       1.04846252      -0.09728204
Cl       7.95792005       3.00558996       5.04291999      -0.07118960      -0.10357547      -0.19380305
Cl      10.98070003       7.13579004       7.41153004      -0.19787985       0.52315328       0.76756976
Cl       9.10653002       1.97693001       9.94704995      -1.32125785       1.05233467      -0.55507726
Cl       4.79377006       8.19235996       1.27396006      -0.35648295      -1.05484162      -0.24934218
Cl       9.03389996       5.11140004       8.73790006       0.12570589       0.03986276      -0.65300806
Cl       2.83660003      11.04279998       1.98372995       2.60284766      -1.43285560      -0.47287315
Cl       3.06899002       2.38657001       5.71013995      -0.06434964      -0.81883589      -0.25799573
Cl       1.36953998       8.71635006      10.92970006      -0.03482411      -0.29406038      -0.09966224
Cl       4.01564000       9.52142006       5.12186998      -0.45942423       0.45850361      -0.53610915
Cl       9.11006000       9.89940001       3.97010004      -0.95839746       0.80022692      -0.73154688
Cl       6.20027995       0.36621106       3.15009002       1.12577514       0.39267084       0.79072956
Cl      10.89770003      11.16990004       6.06771999       0.88075998       0.31257859       1.16586423
K        0.58631900       9.93706002       2.63394996      -1.84951965      -0.90422495      -0.25950202
K        6.02880002       5.04973995       3.59999003       0.95387205      -0.28984657      -0.41223130
K       11.46730004       2.29793994       8.39327997       0.15688631       0.23908945      -0.04010162
K        8.68921003       3.36408997       2.01081003       1.26614521      -0.85797138       0.27216508
K        6.96245002       9.84143995       1.79106002       1.36083635      -0.87143715      -0.25215835
K        5.25830002      10.07230006      10.52050003       0.10270873       0.32707310      -0.80765988
Li       5.37585000       9.15571996       6.67537005       0.24137955      -0.07482948       0.54247462
Li       2.26396995       7.35827995       8.98141004       0.05537032       0.69713439      -0.06782096
Li       9.76078003       8.12908002       4.88431003      -1.28920857      -0.20626553       0.57944485
Li       2.20643996       1.39091003       1.63024999       0.62806255       1.69090733      -1.19896557
Li      10.16960004       1.03584002      11.37740000       1.06057025       0.29305262       0.39777229
Li      10.68850003       1.30967001       4.74934003      -0.28503645       0.40713010      -0.36284539
Li       7.28242999       4.18299996       9.55539005       0.21758623      -0.60350222       0.31607412
Li       9.61123001       5.19386999       6.26581001      -0.11362033      -0.14419674       0.73120753
Li       2.43529997      11.02070002      10.76180004      -0.72961580       0.25496247      -0.34126541
Li       3.60685002       8.94166996       3.13151003       0.21799632       0.25144603      -0.48911133
Li       0.00901956       6.66355996      10.79509996       3.22982437       0.05727657      -2.95139551
Li       3.29835005       4.42854996       6.39482998      -0.22638219      -0.35134374       1.33535583
Li       7.70329998       0.32229497       5.58422000      -0.33692067       0.10274337      -0.19316905
Li       0.27374197       9.37027999       7.56273005       0.31903263       0.04244908      -0.24125189
Li       9.50024997       8.66322998      11.26689996       1.17085930      -0.31579237       0.69485494
Li       1.66552999       6.09046000       3.97340003       0.10180138       0.89386958       0.90817363
Li       5.73873001       5.94125997       6.65621996      -0.22395053       0.41610621       0.46907721
Li       1.80693002       0.47422500       6.16298006       0.38497512      -0.61982805       0.30060583
Li       8.62395001       7.41224004       8.34859003       0.96250757      -1.17418044      -2.20790961
Li       0.50457896       3.29195005       3.68497000       0.37166669      -0.76460110       0.19849212
Li       5.08988996       1.70853001       8.21577004      -1.90159599       2.49629775       0.94082312
Li       2.28108001       3.79949004      11.41549998       0.20029991      -0.31194345      -0.20148627
Li       4.72637002       1.61941004       3.47795005      -1.70573327       1.14635916       0.09976301
Li       5.45940998       6.22740997      11.35420001       0.02676206       0.19046685       0.23631698
60
Lattice="11.50542303 0.0 0.0 0.0 11.50542303 0.0 0.0 0.0 11.50542303" Properties=species:S:1:pos:R:3:forces:R:3 energy=-445.00172202 stress="-0.021604022546975365 0.0034294899318006574 -0.0005783381919137788 0.0034294899318006574 -0.025654124680384305 -0.002773610713268998 -0.0005783381919137788 -0.002773610713268998 -0.012836428938609064" free_energy=-445.00172202 pbc="T T T" config_type=melt 
Cl       0.73857706       7.07720995       6.50808004      -0.07968188      -1.00753805       0.97611643
Cl       1.16873997       0.57982695      10.10099999      -2.04684834       1.19425601      -1.14384393
Cl      10.47680001       6.94133999       0.14846000       0.72364054      -0.31682612       0.41324921
Cl       8.94712997       2.75836995      11.34539997      -0.59635447       2.22054257      -0.53466047
Cl       9.48768996       4.20287005       5.32417995       0.93370478      -0.07788417       1.24128898
Cl       4.56174997       5.82918001       1.40358004       0.20613178      -0.30776183       0.00558506
Cl       8.63819004      10.17589995       9.53364998       0.72836165       0.32707929       0.16537677
Cl       8.82430003       4.46283003       2.23504003      -0.14173565      -0.20242978       1.21108170
Cl      10.69030005      10.30430001       1.68037002       4.02756999       0.30040864      -0.82509981
Cl       7.08851000       3.41222003       8.21943003      -0.50558617      -3.42288944       0.12268677
Cl       3.72715004       6.37581002       4.79330996      -1.43757465       3.55976055       0.35221328
Cl       6.47102004       5.58442998       6.13397005      -0.35073523       0.72119578       0.17561209
Cl       6.72310996       0.50370500       0.23867897       0.56195466       0.04986745       0.14774755
Cl       0.46222600       3.64611999       7.72442002       0.40956378       0.26859095       0.70990100
Cl       5.00050997       2.04465001       3.51936002       0.21356849       0.64496535       0.96771677
Cl       3.60231999       9.20899996       6.89297004      -0.37898042       0.35403184       0.31168382
Cl       8.04384002       8.54096001       2.85386001       0.03591938      -0.04799337       0.64453645
Cl       0.96352694       8.87257000       4.03756002      -0.21049024       0.73331745       0.20579152
Cl       8.16567002       0.78301100       3.21996004       0.00021001      -0.00572271       0.71255316
Cl       4.03463005       5.45843996       9.27759000       0.26911102      -0.15411052       0.24801649
Cl       2.78835998       0.43327605       2.40425995      -1.21517697       0.00323917      -0.94294099
Cl      11.32929997       0.52362699       6.33178003      -1.52909570      -0.76342276      -0.62231646
Cl       4.48334005       1.87317998      10.21660004      -1.76346279       0.69624920      -0.56507580
Cl       0.13607602       9.23305999       8.73136003      -0.13171748      -0.12837133      -0.11055479
Cl       9.31495996       6.46346995       8.26096001       0.79827767       1.08606179       0.31041511
Cl       6.52228004       9.53038002       5.76021995       0.98391904      -0.25516618       0.51747080
Cl       1.68609996       3.75569004       0.49611902      -1.54453113       1.49614511      -2.02820681
Cl       1.63587004       3.15801001       3.71608999      -0.90542936       0.96163074       3.07025237
Cl       4.68424004       9.70755997       2.29185001       0.20358459      -2.30714190       2.34795946
Cl       3.82521996       9.68855002      10.65370003       1.08091244      -1.29800485      -0.09630640
K        2.20128001       1.43889996       6.90893002       1.19491831      -0.07997504       0.06140709
K        0.67831602       5.96544000       3.89965004       0.09704850      -0.56643809      -0.41957552
K        2.16174001       7.55863999       9.62028006       0.37834545       0.21020470       0.06169045
K        6.01028998      10.35490006       8.76244999      -0.80536440       0.08487606      -0.17736434
K        9.68303996       7.96558002       5.36282000      -0.15510263       0.62586198       0.23995656
K        7.68316997       6.59258001       0.99056802      -0.78962622       0.05437740      -0.73452078
Li       8.92258005      10.50909999       2.04303005      -3.93823873       0.16114769       0.58584475
Li       8.09248000       5.74195003       4.84863999      -0.32190153      -0.27326937      -0.95927508
Li      11.33389995      11.47622549       3.94387999       0.17703526      -0.36093891      -0.50075503
Li       2.35318001       9.76285998       2.65333004       0.16025234       0.50489133      -0.35394321
Li       2.71075003      11.26350000      11.00720001       0.06289649       0.99757476       1.05490539
Li       6.13894995      11.26600001       4.66923996      -0.08246514       0.75332655      -1.04129375
Li       7.87206003       5.10520000       8.39516996      -0.53441947       1.78915939      -0.10691412
Li       9.88239005       8.23480001      10.14650003      -0.05105997       1.03249969      -1.16543613
Li       9.78117006       3.12234999       7.48015000      -0.30458628       0.08641565      -0.37740718
Li       6.58191000       2.50796995       2.20799998       0.93646109      -0.25418113      -0.53683542
Li       3.68556000       4.10318995      11.32720000       0.76632907       0.49404009      -0.22252190
Li      11.38320000       5.72863998       8.40517001       0.23982335       0.30902681      -0.94275973
Li       3.13182999       3.66824998       8.66792005      -0.21559116      -0.39063434       0.25388374
Li       5.19094002       7.71959004       5.82992004      -0.10723176      -0.08296475       0.44370858
Li       9.81352998       1.14977995      10.79910005       1.33355854      -2.52247980      -0.25160749
Li       5.00166994      11.17929997       1.19610999      -0.07098262       2.37158077      -1.74482056
Li       4.47257006       7.75891995       2.68110999       0.02090169      -1.85916964       0.39419107
Li       4.17413998       4.68284996       4.24064006       0.99523978      -3.74424475      -1.38832833
Li       9.03526002       2.61988998       3.99504000       0.03763072       0.24069993      -0.72599625
Li       1.36868996       9.29185005       6.46521003       0.11413861      -0.36671579       0.10609725
Li       2.27312999       2.66398003       1.99354005       1.31331841      -2.18015244      -0.31096420
Li      11.00850001       4.87615004      11.49487325      -0.08393177      -1.13577749       0.55405342
Li      10.46520002      10.98650003       8.29602002       0.12116358      -0.05514085       0.11653836
Li       6.48262004       2.50521002      10.26519998       1.17241113      -0.16567933       0.09979303
60
Lattice="11.50542303 0.0 0.0 0.0 11.50542303 0.0 0.0 0.0 11.50542303" Properties=species:S:1:pos:R:3:forces:R:3 energy=-447.71013738 stress="-0.009132406477566798 0.0005437153361812432 0.004906652573718545 0.0005437153361812432 -0.004700107661189011 -0.0007281519932661847 0.004906652573718545 -0.0007281519932661847 -0.019353171752386118" free_energy=-447.71013738 pbc="T T T" config_type=melt 
Cl       3.22665999       3.23065997       2.93334005       1.53102567      -0.38784869       0.58158916
Cl       2.96105995       9.85888999       6.09789998       1.99967316      -2.60560990      -2.67980275
Cl       7.89052002       7.44990005       5.42457996       1.47742910      -2.07149273       0.60646506
Cl       8.60957996       6.52205004       9.39939999      -0.59319356       0.28193475       0.09294107
Cl       6.50880995       4.79722997       3.73913006      -3.22780996      -0.78264121      -4.39989327
Cl       5.15117003       8.53519004      10.36970006       0.91029301      -0.88036695      -0.12975106
Cl       0.46786400       2.02518997      11.09039999       0.07072971       0.11839177       0.46165719
Cl       8.82728005       9.58418997       0.00223965       0.46685501      -0.44329538      -0.73591136
Cl       1.98688002       5.43131005       4.42924995       0.58829718       1.09958332       0.23051554
Cl       9.48724999       3.06833996       3.03021997       0.44957391       0.26335580      -0.52755253
Cl       3.57467004      11.04320002       9.06656996      -0.36441058       0.11558084      -0.75320807
Cl       3.61619001       0.79210500       0.27244002       0.79738488       0.74376042       0.30960738
Cl      10.84740004       5.91682004       1.37848004       0.02494958       0.01802253      -0.51497343
Cl       6.93714005       9.53054996       7.82486996      -1.00421457       0.30824912      -1.19007323
Cl       0.38523596       1.24022006       5.80521996       0.35188325       0.28797777      -0.69219036
Cl       7.80563001       3.40403001      11.21019997       0.24895655       0.17968646      -0.13494866
Cl       1.08533003       9.86342002       0.07697404      -0.15127236      -0.62979704      -0.02281876
Cl       7.45427004       7.26493001       1.78151995      -0.56527078      -0.68756871      -0.16944051
Cl       1.82815995       7.20127005      10.05739996      -0.21245831       0.49510968      -0.38146940
Cl       4.79223006       5.57921998       7.36584005      -0.63320644       0.73646146       0.17143343
Cl       4.12491000       8.31825000       1.98408995       0.85473337      -0.16387754       0.65670854
Cl       8.00883005      10.69180001       5.10453004       1.94941399       1.52878555       0.18755547
Cl       8.63984003       2.67837999       6.00268996      -0.63095265       1.35856315       0.55746505
Cl       6.48359996      11.39910004       2.17386005      -2.07723470      -0.28381015       0.30861530
Cl       5.26769005       2.17942994       6.17973000      -1.13814570       0.01241482       0.91750866
Cl      10.48900002       0.27267496       8.33611999      -0.58394392      -0.57350441       0.59428353
Cl      11.21940005       7.87444004       7.25071000      -0.98316805       0.96837701       0.03103669
Cl       0.32075796       4.73241003       7.04210000       0.02407084      -0.34049518       0.30117160
Cl       1.04021001       9.96300004       3.13363002      -0.36529550       0.14887379      -0.43491504
Cl       3.46394001       4.68127003      10.91219997       0.97792922      -1.28406423       1.39215952
K        6.64577004       0.57407206       9.00455998      -0.19163407       0.67619006       0.07305936
K        5.49454996       2.97736003       1.15950997      -0.17821287      -0.46317803       0.26130438
K        6.02094998       9.09216998       4.88965004      -2.53615845       0.43417732      -1.02515965
K        1.69661004       7.41478999       1.96227003      -0.87980278      -0.58822888       0.18573003
K        9.77136997       3.68328998       8.98955001       0.38241965      -0.31630343      -0.05998482
K        8.92187005       0.36201399       1.69248995       2.02036445       0.71899747       0.00090015
Li       1.49103000      11.31690000       4.59557005       0.32689035       0.20891252       0.75337922
Li       1.68077996       6.91207997       6.87720002      -0.56941456      -0.45412624      -0.52079292
Li      11.21149997       8.04782998      10.91089997      -0.17265102      -0.20370804      -0.52698171
Li       8.99013000       6.59022002       7.15354003       0.85348759       0.16289717       0.19689634
Li       0.36041301      11.23950003      10.21449995      -0.68576231       1.16066652      -0.90067213
Li       6.52310003       2.13956998       4.58836995       1.15016396      -0.20969158      -0.75899585
Li       5.96150998       6.32103005      10.68020001       0.18069749      -0.04710523      -0.02476106
Li       3.83287003       3.92536006       5.51419995      -0.23170290       0.01649747       0.10274281
Li       7.36646997       8.78147996       9.59800004       0.79570854      -1.00773559       2.10635406
Li       9.44346000       0.72782202       6.08132998       0.71046306      -0.60131895       0.04840367
Li       2.16119995      11.32960003       1.36672000      -0.58749228      -0.66135332       0.83241469
Li      11.00409999       3.56034004       4.82773004       0.04469618      -0.16257482       0.55195968
Li       4.30114995       5.65400005       3.11674006      -0.27426099       0.05952051       0.15650489
Li       7.38213000       4.88575005       5.28187003       2.49014592       0.33348062       4.29963397
Li       8.97437999       9.35269004       7.04921000       0.87573707       0.08599499      -0.73791713
Li       2.07777999      10.87530000       7.35013998      -1.81408617       2.17905430       2.48865716
Li       4.69964005       8.38388003       7.68293998       0.00760821       0.13561302       0.43024818
Li       2.65528998       2.39536004      10.53759996      -0.04359197       0.01075445      -0.09459907
Li       9.56963998       7.57910998       1.82391997      -0.25310171       0.78271369       0.13260518
Li       2.89103000       5.49053997       9.15818005      -0.18195137       0.29970005      -1.31128147
Li       1.56164004       2.94824003       1.86804004      -1.46232922      -0.04509405      -1.10716222
Li       8.79796999       4.86362995       1.46081998      -0.12665560      -0.46285683       0.08603157
Li       3.14350995       9.39666998      10.55060005      -0.41466216      -0.07738698       0.07262262
Li       6.05968000       9.10020997       1.47688995       0.57246658       0.50473568      -0.34490471
60
Lattice="11.50542303 0.0 0.0 0.0 11.50542303 0.0 0.0 0.0 11.50542303" Properties=species:S:1:pos:R:3:forces:R:3 energy=-447.64296943 stress="-0.013830492008387695 -0.00045657280258823267 0.0028817300602567873 -0.00045657280258823267 -0.014172177932956144 0.0004866184600863201 0.0028817300602567873 0.0004866184600863201 -0.021219990323553723" free_energy=-447.64296943 pbc="T T T" config_type=melt 
Cl       4.57271004      10.24859996       9.69284005      -2.08730258      -1.20279155      -0.56665536
Cl       3.01278005       7.78219002       3.46397004      -0.42434264       0.02681920       0.21171745
Cl       5.33526002       2.44954000      10.16109995      -0.26688749       0.27537856       0.07846665
Cl       6.37894996      10.93360005       4.34400995       0.57266995       0.38942141      -0.27638154
Cl       7.96420995       4.16059004       3.81004995       0.59691674       0.70012114      -0.23032070
Cl       1.68798995       2.15496999       5.02502998       0.51160700      -1.46016141       0.00531749
Cl       3.49334005      11.36009999       2.06465000       0.12347641       1.32248685       0.77540029
Cl       9.91742004       5.56782995       8.59267999      -0.10116901       1.21790984      -1.93200736
Cl       7.21197998       7.59252001       4.85427006      -0.30285360       0.27247731       0.40178587
Cl      10.56589996       6.52813998       4.73343999      -0.06913882      -0.46034110       0.00986470
Cl       5.39025997       8.15912999       1.36630994       0.08962982      -0.12929655      -0.68043842
Cl      10.30379999      10.20979999       3.96313995       0.42653797      -1.10768044      -0.17635777
Cl       3.45743001       6.22137997      10.62969995      -0.07342494      -1.05432616      -2.55288302
Cl       4.77749000       3.22551002       3.27006995       0.05475540      -1.26420830       0.98349798
Cl      11.40830898       1.14305998       1.96370004       0.49259541       0.39399786      -0.94451506
Cl      10.24139998       1.85822005       9.76958996       0.58376352       0.57448086      -1.15066573
Cl       0.23971296       6.38027999       0.21648995      -0.36348446      -0.78494150      -0.44260485
Cl       1.91645003       4.24068999       2.24276994      -0.41257120       0.52005758      -0.05301755
Cl       1.44801996       3.87500001       8.15338004      -0.70759261      -0.60504313      -2.14045402
Cl       5.54260995       3.58678997       6.62245005       0.24768188      -1.03184389      -0.75972116
Cl       8.35559004      11.10490004      10.89580002      -0.38174626      -0.51603053       0.25086284
Cl       7.67403996       7.01590997       9.79207996      -0.55300704       0.52820301       1.00431397
Cl       2.25907002       6.85129004       6.58223997      -0.19698007      -0.96349891       1.19801316
Cl      11.48936917      10.77460005       7.04294001       0.19494671      -0.53089713       1.96928186
Cl       8.40814002       2.10658002       6.47439999       0.29363273      -0.11659246       0.60897456
Cl       5.07390996       7.26909003       7.96683997       0.47585291      -0.40690411      -2.47398446
Cl       3.47298995      10.77969995       5.93116995      -0.67063725      -0.36838560       0.44293437
Cl       0.72677801       9.21831003       0.92859901       0.79814599       0.50760601      -1.31224668
Cl       9.22706002       4.11962003       0.75638503      -0.38120435       0.21619553      -0.24108302
Cl       8.67953006      10.10949997       7.52515001      -2.54302560      -2.54189678      -1.05507054
K        8.50650000       7.07876997       2.28217004       0.28436552      -0.15522752      -0.31846380
K        4.56753996       4.99209996       1.20041003       1.06507790      -0.20857121       0.59459116
K        0.34318905       8.09078997       8.80924001      -0.11057402      -0.25644734       0.12100542
K        9.58150000       1.22164996       3.93341995      -0.90269201       1.40936752       0.39522831
K        2.50796005       0.58883202       8.65004005       0.04261762       0.11379237      -0.21037937
K        7.01187997       2.14474995       1.69397001       0.01524477      -0.29283297      -0.59366478
Li       1.13614004       7.07887996       4.89666996      -0.09062457       0.34910213      -1.22926152
Li       6.87003996       2.79832000       4.94013998      -0.58522940      -0.41378911       0.49943127
Li       2.45343999       2.24073003       2.93101998       0.21601484      -0.50338851      -0.74565865
Li       9.62308002      11.40918431       8.41946999       1.81485476       3.15713532       1.78684518
Li       8.85430997      10.00480004       5.44262000      -1.09274584      -0.42358439      -0.33611677
Li      10.26250000       0.50052099      11.33528106       0.56691192      -0.11999293       1.31628707
Li      10.79850004       3.84460004       8.72183999       0.53798518      -2.02620245       0.31016505
Li       0.83659405       0.19057698       5.54843998       1.13130267       0.18349656      -1.38354648
Li       5.56616005       8.56386995       3.58878996      -0.26736545       0.59346563      -0.07992930
Li       0.52491295       9.56724006       2.93611999       0.67790848       0.09024017       0.29154266
Li      11.22220001       4.16957002       1.78673996       0.02591399       0.07696051      -0.43312483
Li       4.84219005       7.68061002       9.89252000       0.67564142       0.95494284       1.46980375
Li       9.59689000       5.84795996      10.61099996      -0.14553259       0.02126091       1.19345668
Li       6.25784998      10.80290006      10.43329996       1.69492097       0.82760892       0.97544920
Li       8.06873005       5.74201999       5.73256000       0.48183004      -0.37134913      -0.29267593
Li       4.29924005       0.79450400       4.52515996       0.41100836      -0.35066725      -0.49114552
Li       0.98218805       3.93806998       5.46067995      -0.67390311       1.97140431       0.58363381
Li       2.54335004       4.09486002       9.70709998       1.49762470       0.63460090       2.21079824
Li       7.45927996       8.57296004       8.22888001      -0.78031591      -0.87309347       0.20776122
Li       2.60317997       6.97699000       0.69804702      -2.05504070       0.91529271       2.21381955
Li       4.34272998       5.08071002       6.91709001      -1.46266057       2.23203158       0.40280407
Li       3.85432005       8.19942003       6.14342003       0.37056347       0.87731110      -0.16194404
Li       3.10372995       9.66189000       0.94205805       0.00685586      -0.26392962      -0.04359977
Li       6.60079005       3.19450003       8.37535003       0.72319719      -0.54925319       0.79486418
60
Lattice="11.50542303 0.0 0.0 0.0 11.50542303 0.0 0.0 0.0 11.50542303" Properties=species:S:1:pos:R:3:forces:R:3 energy=-444.90114491 stress="-0.016226702276443555 -0.002126988926038884 0.0046915985056920385 -0.002126988926038884 -0.02533105851322132 -0.00391828254669287 0.0046915985056920385 -0.00391828254669287 -0.022834814018027644" free_energy=-444.90114491 pbc="T T T" config_type=melt 
Cl       5.52625004       6.44952998       9.69964999      -0.12249149      -0.09910417       0.61861749
Cl       6.58646005       8.89961005       7.65850004       1.63569355       0.70669368      -1.86030968
Cl       2.10057994       9.87252001       0.55048502      -0.64928819      -0.46546966       0.10511756
Cl       0.18297903       9.21528998       8.42445000      -0.01938118      -0.29492059       0.73841009
Cl       4.22661000       9.50822000       9.67101000      -0.99258833       1.06694043       0.92893213
Cl      10.15909996       3.95249997      10.57689995      -0.66860180       0.56852545       0.93201567
Cl       4.13310002       5.97130006       4.61815001       1.76985340      -2.64382986       2.14710046
Cl       6.43337004       4.05204995       8.01523995       1.08506101      -1.20262018      -1.42962202
Cl      11.43299996       9.19685000       4.03477997      -0.09513360       0.64631105      -0.38200913
Cl       8.49485996       8.30351005       0.44433403      -0.27436251      -0.27749532       0.03501078
Cl       7.10086003       0.79425502       8.51638005       0.12899122      -0.16242166      -0.77233256
Cl       1.91542996       1.01503994       1.87094999       3.81773421      -2.23002831      -0.44937522
Cl       9.90958001       3.68451002       6.63725005      -0.27628091       0.98031545      -0.36029895
Cl       2.80674001       5.55391000       7.80613004      -0.49060408      -0.37767413      -0.74952729
Cl       0.87237604       6.08687997      10.01840003       0.40973817       2.36244396       3.35859141
Cl      11.32479997       0.67908804       6.88824005       0.59048571      -1.12423393      -1.93619777
Cl       2.40564002       5.46500000       1.89860006      -1.01537863       0.15105487      -0.00579075
Cl       3.41480001       9.64122005       5.35622003      -1.67140220      -1.43176906      -0.97378837
Cl       9.05036998       5.48264000       3.18304995       0.19187704       0.35410021      -0.37295544
Cl       3.08824998       1.26614994       7.23077996       0.27941599      -0.11410803       0.32597815
Cl      10.05500004       1.87970999       2.48947003       0.40314451       0.66481202       0.71293691
Cl       0.70779901       3.61911998       4.34975001       0.02222454      -0.13062186      -0.27090457
Cl       6.71354999       2.94540003       4.61922002       0.40459104      -2.55740327      -2.18462460
Cl       1.24297998       1.85968998      10.52469997       0.58339104       2.04036675      -2.39311334
Cl       8.49971997       0.81321504      11.45679996      -0.31437448      -0.33677742      -0.60586628
Cl       6.11489004       5.85255995       1.30297995      -3.25143294      -1.93982111      -0.91814261
Cl       5.10351998       9.27057998       2.61338999       0.22254580      -0.27572005      -0.60309542
Cl       9.43030999       7.50011996       6.48289997       0.05030117       0.08134764      -0.01473793
Cl       5.03434005       2.28315996      10.85819995      -3.22346808       0.03048828       2.86625221
Cl       7.48126004      11.31610003       4.93257999       0.48370197      -1.19548720      -0.37849574
K        7.04439004       8.02334000       4.60729005      -0.09571081       0.22221994       0.51688251
K       10.08119996       1.97654999       8.61536006      -1.44670591      -0.42275626       2.40591546
K        8.38222003       5.76030003       8.75775002       0.65281819       0.88016378       0.20387390
K        4.69834005       0.76321799       1.98950003       1.11584620      -0.34939370       0.16453569
K        9.73270001      10.59320003       1.87794000      -0.03794559      -0.45534336       0.41411596
K        8.55545995       9.81113996       9.39545006       0.42657744       0.26178286      -0.00066578
Li      10.87619996       5.35748999       1.76348002       0.22410423       0.07787440      -0.03075336
Li       9.06441004       2.75445005       0.72070396      -0.01969739       0.05739473      -0.10143998
Li       0.97476602       0.36008695       0.16957601      -0.58044477      -2.34210096       0.37043925
Li       0.68483902       4.24739006       9.62633997       0.10458259      -2.73349127      -0.38186561
Li       7.43581995       1.43766002       6.31733003      -0.11447817       0.43563435       0.27726603
Li       1.36054998      10.87229997       7.71545005       0.65766936       0.11260713      -0.43865237
Li       0.44509695       6.98403995       8.35280998      -0.31324113       1.12628994      -2.44984818
Li       2.17899999       5.18253002       4.37598997      -0.02824210       0.19072691      -0.19300404
Li       1.93601005      10.53689997       2.83580996      -0.27395042      -1.23542586       0.62801948
Li       9.40196006       3.66584005       4.46301998       0.04613996      -0.41846186      -0.23863165
Li       3.82875995       7.53643004       3.68088006      -0.54983143       3.38991883      -1.84079441
Li       4.59123998       4.58785002       8.52169004      -1.40140684       0.82439854       0.55153928
Li       4.59304000      10.91269999       6.18161999       1.51727949       1.45353829       1.26673463
Li       0.81302301       2.15018995       2.61393995      -3.87469768       3.82629127       2.59856295
Li       3.56831997       0.94512402       9.58448002      -0.10648726      -0.22139381      -0.25159194
Li       7.58790001       6.76193996       1.88571997       3.09309758       1.38827182       0.80769627
Li       3.81941996       4.36309998       0.74577795       0.86771722       0.12416196      -0.33952394
Li       6.03715997       8.03900003      11.46743546      -0.30581373      -0.19379482       0.02597779
Li       9.59337003      10.03299995       5.55927003       0.43864139      -0.29466023       0.10442450
Li       0.92480797       2.64734998       6.33037004       0.03693486      -0.35386998       0.21413843
Li       6.34360001       2.51365006       9.59281995       2.85465414       0.14232718      -2.29446471
Li       2.13309001       8.07494999      10.62199995       0.25005068       0.29023913      -0.26484081
Li       6.59191005       4.41646996       5.71079001      -0.57531785       2.76341161       2.09680634
Li       4.97654003       8.11727004       8.35226003      -1.57610421      -1.34045450       0.07137312
60
Lattice="11.50542303 0.0 0.0 0.0 11.50542303 0.0 0.0 0.0 11.50542303" Properties=species:S:1:pos:R:3:forces:R:3 energy=-445.54268782 stress="-0.017039949912867933 -0.0019474576457382295 0.0017692955590530113 -0.0019474576457382295 -0.03012337921015306 0.002399811188157365 0.0017692955590530113 0.002399811188157365 -0.013002744210309227" free_energy=-445.54268782 pbc="T T T" config_type=melt 
Cl      10.01939996       2.27423003       9.32845996      -0.60660528      -0.44126073      -0.12622862
Cl       5.46086001       0.08668324      10.50539996       1.75685546       3.43325645       4.29803255
Cl       1.17659001       8.90637006       5.39188005       0.63208578      -0.35262338      -0.02159163
Cl       7.49057000       7.34304999       0.72554797      -0.00693215      -0.69230831       0.04352847
Cl       7.07803005       1.61835004       1.16425999      -0.82204473      -0.86061079       0.24372735
Cl       8.35833995      11.18690000       5.95052000       0.07079123       0.43589530       0.52397726
Cl       5.97022004       8.84671996       3.21888002       1.96996010      -1.09519165       0.56842841
Cl       3.88876004       2.92084999       6.64831999       0.00645381       0.58964676      -0.16114360
Cl       0.05600990       7.11523997       2.53207001      -0.21427804       0.75956945      -0.30168957
Cl       0.84762499      11.27290004      11.23700002      -0.04290259       0.15561452       0.46336140
Cl       3.03185005      10.75839996       8.18773995      -1.45904410       0.86838112      -0.89909682
Cl       9.32938005       7.92880995       4.86278004      -1.38745506      -1.15175245      -0.17212742
Cl       0.33587298       2.17198996       6.13906005      -0.15189124      -1.40579495       1.46914244
Cl       4.34438998       5.75429995       0.57836496       0.19692795      -0.14262595      -0.28422240
Cl       8.79029000       3.88999998       0.87507406       0.84936744       2.24526922      -0.41803213
Cl       8.42188003       3.11729002       4.84760002       0.10310229       0.69155924       0.55516090
Cl       9.21134005       5.99674004       9.70893004       2.71905582      -0.33286291       0.22048387
Cl       9.79822006       0.44668896       3.14171005      -1.12066372       0.50578703      -0.32463807
Cl       4.58762003       7.12540996       5.81658997      -0.37622745      -0.37461246      -0.01907574
Cl      11.06130001       9.81406003       8.45313003      -0.48007718      -0.33156201      -0.37459070
Cl       1.01834005       5.56792004      11.42040002      -0.28512001      -0.00768282      -0.37758591
Cl       7.66795002       8.41358002       8.60011997      -0.79032861      -0.24440824       0.01946106
Cl       6.83525999       4.27935005       8.80485000      -1.00825047      -0.21956716       0.05594228
Cl       0.75813800       3.42163998       2.23215999       0.12167126     -10.15775004      -0.85881304
Cl       3.21841003       9.36829001       1.35810002       0.45416768       0.29932349       0.39478188
Cl       2.53664997       7.69989000       9.34575998       1.04915870      -1.38645133       0.83831429
Cl       0.94498895       4.65083002       4.91431997       1.26772890      -1.72565248       1.01560200
Cl       4.76606995      10.71199997       5.49974005       0.65310021       0.85944430      -0.55168677
Cl       1.77458000       2.56323003       9.66867003       1.25050240      -0.13795571      -1.10504993
Cl       5.33314003       3.86605996       3.28560998      -1.12215604       0.25193086       0.27111809
K        6.13608003       1.57405002       4.62514002       0.13423654      -0.66620453       0.30363195
K        7.24465999       5.77433998       6.04916001       0.17169340       0.12998680       0.14796667
K        3.58975998       2.22421998       0.61148700       0.04808683       0.11793894       0.06002531
K        7.16832001      11.05210004       8.63865002       1.43338496       0.66493300      -1.70223101
K        0.57724698      11.01399995       2.39681997       1.36003348      -0.70285183       0.53927632
K        8.08615996       9.96931996       0.29728701       0.10471638       0.87517223       0.34358185
Li       0.63854603       0.08863973       9.20845000      -0.09905847       0.32290876      -0.46596411
Li       7.11260995       9.45454997       5.18679002       0.06776690      -0.23037593      -0.04178455
Li       1.93080995       7.60692998       0.90303799      -0.15843916      -0.48831054      -0.43088845
Li       4.02321000       5.69915998       9.79024001      -0.35346284       0.49063563       0.12403740
Li       6.85474005       3.91673996       2.00468006       1.25606475      -0.14956817      -1.14542020
Li       9.79305999       8.03773996       9.13404006       0.17695293      -0.08645317      -0.30289714
Li       4.60744997      10.54339996       9.40831002      -2.70245816      -3.90955093      -2.43049893
Li       3.29833003       9.25910999       5.63731995       0.23159840      -1.00700147       0.21820302
Li      10.54449999       3.26783997       4.74179005       0.78170847       0.02648101      -0.72017785
Li       1.64137999       8.90612005       8.00761002      -0.66931227       0.68003418      -0.78033645
Li       9.70771000       6.39838999       0.82592001       0.04003487      -0.50526915      -0.29144056
Li      10.63520000       9.29449998       5.51111995      -0.32711990       1.38500267       0.76072829
Li       9.38109003       1.98549005       6.80871997       0.31388505      -0.32974730      -0.01183375
Li       2.55168998       1.60879997       7.76388995       0.17662885      -0.86925439      -0.36752433
Li       0.71863505       5.06599999       2.26048001       0.05619899       8.23091752      -0.36373786
Li       1.55096002       3.85569000       7.67409001      -0.25224957       0.06062687      -0.61841161
Li       0.63705297       6.43134002       4.59560997      -0.77237459       4.16688105      -0.29420090
Li       4.81496995      10.35859997       2.86265004      -1.48060816       1.09685395      -0.18826880
Li       5.29424998       7.60725006       1.63449997      -0.30259588      -0.41727555      -0.58350178
Li       3.97669001       4.45393001       4.74626002      -0.87866356       0.56948876       1.07149449
Li       7.25598006       6.27812000      10.09040005      -0.95759304       0.25021845       0.12546630
Li       7.85432004       2.73577997      10.13079996       0.27765134       0.51098654       0.44653680
Li       0.35001303       3.36688003      10.92800002      -1.12172309       0.70748586       0.85159855
Li       9.36750005       1.96872998       1.41344996       0.21806421      -0.95969360       0.76108141
60
Lattice="11.50542303 0.0 0.0 0.0 11.50542303 0.0 0.0 0.0 11.50542303" Properties=species:S:1:pos:R:3:forces:R:3 energy=-448.15401214 stress="-0.01583733997899066 -0.00223325516272569 0.00221054795958236 -0.00223325516272569 -0.016803182377332065 0.001489200447082195 0.00221054795958236 0.001489200447082195 -0.014884666197470956" free_energy=-448.15401214 pbc="T T T" config_type=melt 
Cl       2.92719005       7.01385004       9.28557005       0.06137652      -1.04998555      -0.25197590
Cl       7.14277003       7.73781003       2.37958001       1.00618510       0.08234403       0.53965986
Cl       5.19370006       5.43868998       3.04189003      -0.64502042      -0.59201894       0.52479275
Cl       9.02346006       2.57594997       5.46809001       0.88453397      -0.17944624       0.31402378
Cl       1.91446005       9.53834005      10.70530002      -0.53697349       0.14438990       0.71830028
Cl       0.52757600       0.44837496       4.04823004       0.05520201      -0.50109677       1.75852519
Cl       4.04420003       1.58637003       3.85934999       0.73119333      -0.23178235      -0.46293465
Cl      11.05829997       6.17467003       4.60361004       1.44228703       0.64908155      -0.12858005
Cl       0.07497751       4.69286002       8.79031002      -0.15630716       0.10157716      -0.04904287
Cl       2.08350003       0.92738496       1.44855002      -0.93559939      -1.17763679      -0.84428873
Cl      11.00010002       0.88310300      10.15329996       0.37345833       0.06966662       0.33752427
Cl       5.77097005       6.49557998      11.03059997      -0.07915406      -0.83311816      -1.56369177
Cl       4.08792996      11.45608030       9.10929005      -0.94595802       1.10483643       0.61534934
Cl      10.24870005      10.10580005       1.28086998       1.10665259      -0.94433387      -0.08317493
Cl       4.61465996       9.62600999       1.16084000       0.35071877       0.52868403       0.20502229
Cl       9.66177000       7.10901002      11.22550000      -0.42117148      -0.10635743       0.36773002
Cl       6.86667002       1.28728000       7.47701005      -1.74516555      -0.06186224      -0.48092155
Cl       8.78244998       6.98631998       7.92805002      -2.29569137       0.58775823      -2.08543805
Cl      11.13450004       9.56856997       8.29861001      -0.26626114      -0.06024677      -0.68207715
Cl       2.21785000       6.98495003       1.17388002      -0.18584716      -0.44600059       1.03949300
Cl       6.76560996       2.85210002      10.64819998       0.37823312      -0.18286407       0.57133223
Cl       4.87285005       4.86399996       7.05421003       0.68338094      -0.06494367       0.20184326
Cl       2.64172003       2.03961996       6.74878995       0.66525323       1.26508044       0.62565812
Cl       3.37578995       9.40203001       4.35235001       0.28186551       0.45750418       0.00759307
Cl      10.76500004       3.18354998       1.51526997      -1.85030275       1.51157095       0.94654526
Cl       5.04883999       8.64102003       7.54697004       1.63894562       2.11885895      -0.70574206
Cl       3.22920004       3.09296997      11.12930005      -0.05213999       0.49534972      -0.10177403
Cl       6.87121996       9.90409998      10.13469995       0.71935542       0.02267896       0.05657057
Cl       8.83422001       1.06805003       2.03391004      -3.80243796      -0.54752325       2.31678249
Cl       7.87975002      10.73579997       5.36071002      -0.20283684      -1.42470507       0.29563774
K        8.71197006       5.04925005       4.85835000      -1.61215002       1.24027163      -0.48592682
K        2.11076995      10.96970004       6.64547999      -0.68657177      -1.22760280      -0.18885013
K        0.65315803       3.38866003       5.12779999      -0.28291458      -0.18739110      -0.10845283
K        2.58062002       6.76586998       4.13211999      -0.16223679      -0.85388127       0.00020017
K       10.33900002       9.01441001       5.26796998      -0.01846884       0.10230067      -0.11863433
K        9.49349996       0.94079096       7.71593005       0.94814772      -0.39796573       0.15893676
Li       4.49253001       9.67369997      10.22659998      -0.03149205      -0.82389843       0.44510951
Li       5.02935004      11.28629995       7.30150000       1.09071043      -0.07861396      -0.79743514
Li       2.07054998       3.96864001       9.48373002      -0.05035295       0.33289013      -0.38749059
Li       9.68718996       1.56971996       0.39147697       0.86939173       0.93395543      -2.38249644
Li       1.03327006       8.95039004       1.47133996      -0.36864142       0.39082405      -0.48466878
Li      10.19629999       6.58949000       9.19827000       1.93826629      -0.74656628       1.02972676
Li       1.50951001       7.32100998      10.68990001      -0.90519428       0.12481768       0.07212670
Li       5.58105003       8.75160003       3.54008003      -0.19426359       0.22036549      -0.19395948
Li       3.33519997      11.00710003       2.45866000       0.26694882      -0.32644167       0.76778906
Li       5.78034996       2.63596996       8.66458003      -0.58490814       0.39035549       0.60765435
Li       0.98437604       2.72910003       0.95988502       2.69291137      -0.29048754      -1.43803099
Li       4.46113999       6.46579002       1.23217995      -0.24760409       0.01089839       0.27280798
Li       4.79255002       2.68895002       5.61879000      -0.24862108       0.33250812       0.39045796
Li      10.89830004       0.56686299       2.33614002       0.25957912      -0.23387562      -0.47214360
Li       7.70467004       5.74389997       0.21878402       0.65815254      -0.56701491       0.37005591
Li       4.00492995       7.03095999       7.58969002      -0.70145786      -2.15121041      -0.59431035
Li       6.85352002       5.95069005       8.31831995      -0.63418338      -0.17827480       0.17455565
Li       6.58932996       0.55375198       0.61215696       0.40745588      -0.07061806      -0.40341947
Li       7.25249000       9.06789998       7.81578999       0.36344730       0.13754241       0.26401480
Li       3.71239997       2.21408002       1.69468001       0.61205213       0.85354595       0.07171784
Li       6.95584004       8.01952998       0.26873205       0.60020526       1.78368908      -0.15676564
Li      10.32290002       9.98207004      10.42499995       0.20818483       0.02202701       0.24916430
Li       1.96588998       0.05664465      10.05349997      -0.35043168       0.71821060       0.27731851
Li       8.12955001       1.07353996       4.36826994      -0.09373565      -0.19581896      -0.94179349
60
Lattice="11.50542303 0.0 0.0 0.0 11.50542303 0.0 0.0 0.0 11.50542303" Properties=species:S:1:pos:R:3:forces:R:3 energy=-446.7469114 stress="-0.005745916811221017 -0.00014317582532533734 0.003296427804172338 -0.00014317582532533734 -0.009894972629224874 0.0019788995288277773 0.003296427804172338 0.0019788995288277773 -0.026090167012378367" free_energy=-446.7469114 pbc="T T T" config_type=melt 
Cl       6.64707004       7.65191998      11.49190002       1.18983658       0.86064389      -2.00912228
Cl      10.89809996       5.68535002       2.51151005       1.09177827      -0.58861803      -0.59622212
Cl       8.72908000      10.94850004       9.75776998       0.09927329      -0.35897683      -0.26229069
Cl       7.34631006       7.80310998       7.55283999       0.77566801       0.94907555       0.58363836
Cl       7.14774003       0.31405099       5.64797006      -0.75248189      -0.67755633      -0.53148130
Cl       4.40279001      10.66099999       8.89113998      -0.27144800      -0.13573267      -1.31913894
Cl       4.86904003       9.07212995       5.17574999       0.64146388       0.77305791      -0.54870058
Cl       3.58433000       5.80058006       1.64119003       2.42741317       0.61301615      -4.82449093
Cl      11.22160001       8.34831999       7.04821996       0.09909314       1.68646974       6.94030709
Cl       1.19787999      10.12960006       4.86283999      -0.20929830       0.58318962       2.05485611
Cl       8.89476005       8.47001999       4.59789000       0.99737089       0.77179410      -0.37959591
Cl       1.54954002       5.48521998       5.24554004      -0.60694536       0.77981083       0.72981704
Cl       5.83844003       5.33620001       5.17749996      -0.23314957      -0.23765860      -0.57789452
Cl       7.63543996       2.48726996       8.09571003      -0.36951149      -0.30439833       0.14994906
Cl       6.76752998       0.16000603       1.74133001       1.64810237       1.24737835      -0.54312930
Cl      11.26140003       4.98404996       9.71837001       1.36728570       0.13777387      -0.23031442
Cl       7.65035996       5.77429995       2.69914003      -0.10257186       0.31111351      -0.63029147
Cl       3.59005003       1.96347005       7.23664002      -0.02547573      -0.64536862      -0.76013972
Cl       0.99529998       1.46302004       9.95002997       2.26607196       0.10995427       0.81667439
Cl       8.95749003       2.56533000      11.45240006       0.69240309       0.18697045       0.15749819
Cl       5.54720004       5.52390996       8.24274002      -0.23201082      -1.43433302       1.12795452
Cl      10.08239998       8.00824995      10.88050000       1.12473815      -0.96877221      -0.39961321
Cl       2.20101999       8.19788003       9.68432005      -0.26972076      -0.69298031       0.02471719
Cl      10.09209997       3.06305000       6.07090998       1.30885813       0.32649276      -0.35847749
Cl       2.78472001       2.94295996       3.84635001      -0.30245657       0.39781015       0.01656856
Cl       3.85079997       8.80821005       1.34717999      -0.30539159       1.24961766       0.20945133
Cl      10.82269997       1.14128999       3.12029995      -0.14460620      -0.04418476       0.00983035
Cl       3.66543000       0.13853001       3.48494006       1.01838575      -0.39240182      -0.20212028
Cl       5.74922997       3.80577004      10.84189999      -0.55607000       0.40975593       1.81724876
Cl       0.01557696       9.09369998       2.32761001       0.12620751      -0.21826313      -0.93534490
K        1.83582003       0.30642405       1.24460995      -0.43201521       0.22997054      -0.22351117
K        8.54717996       4.67703995       9.63352004      -1.22798185       0.93761200      -0.10779876
K        5.90865004      10.46599999      10.98280000       0.32943777      -0.04531856       0.33141110
K        5.96826999       3.12015003       2.13660998      -0.09312752       0.53906578       0.30463891
K        4.01448003       7.12172006       6.76902005      -0.81794116      -0.44279486       0.11361061
K        2.83509996       3.55191002       9.26295004      -0.15610127       1.15633701       0.78522334
Li       4.39865001       1.60657999       5.19021000      -0.12486434       0.02809656      -0.44121730
Li      11.13700006       7.79739995       5.42540996      -0.19909094      -1.93870334      -6.34383183
Li       1.17658000       1.99539000       5.63521998       0.21457057       0.31490625      -0.46715190
Li       0.69017995       6.46360997       8.02436997      -0.18029480       0.20940383       0.31209614
Li       7.04833996       7.64469998       5.32989999      -0.82613967      -0.74085655      -0.07936802
Li      10.54779998      10.46960003       4.09954997       0.01819248      -0.06693211      -0.36689528
Li       6.51101002       3.88174001       6.70233001      -0.24059294       0.70925147       0.14241812
Li       8.70009002       1.47615003       6.44206998       0.04531577       0.08531230       0.09853914
Li       3.02503999      10.58690001       7.09882001       0.05336864       0.08084220      -0.25920800
Li       4.13361005       7.81980999      10.82719997       0.09486237      -0.30416880      -0.25632873
Li      10.85879996       4.69800996       0.45160994      -0.36747711      -0.31531822       0.00015477
Li       5.88107004      10.59820006       3.15261005      -1.26066636      -0.92731685       1.89324547
Li       9.38104999       8.75257005       8.72710003      -0.02557099      -0.10096411      -0.12479616
Li       0.97638299       7.80255001       0.36083400      -0.24731463       0.30991277      -0.12465577
Li      11.12659996       4.35580002       4.26111005       0.07633533      -0.28466358       0.42903223
Li       9.44998001       7.22160001       2.82165000      -0.66921736       0.14003294      -0.26619642
Li       2.47119999       9.72982998       3.25644995       0.64683350      -0.64822826      -0.38774419
Li       5.70919996       2.67293999       9.26092002       0.25445943      -0.94857676      -1.62824079
Li       5.52705002       7.14254004       1.49909000      -0.77014760      -1.05219215       2.14630665
Li       8.57096995       9.18765004       0.02397696      -0.72016860       0.54490493       0.20118662
Li      10.72689995       1.06976998       9.41099998      -2.96014219      -0.49936305      -0.22488695
Li       9.03236997       1.39250998       1.71571998       0.00604589      -0.39009966       0.33668464
Li       6.63215004       9.93129995       7.41945003      -0.33798567       0.40618705      -0.31278325
Li       2.73227001       5.41900995       3.12658996      -2.57539331      -1.68101884       4.98992387
60
Lattice="11.50542303 0.0 0.0 0.0 11.50542303 0.0 0.0 0.0 11.50542303" Properties=species:S:1:pos:R:3:forces:R:3 energy=-446.46022247 stress="-0.018737840522856795 -0.001038796839495113 -0.0033309719544747964 -0.001038796839495113 -0.010016503050697867 0.00182862668320369 -0.0033309719544747964 0.00182862668320369 -0.013698897846256728" free_energy=-446.46022247 pbc="T T T" config_type=melt 
Cl       6.71718996       4.22172997       5.24077001      -0.32556387       1.17206073       0.74032220
Cl       6.02939002       3.84737998      10.62800003      -2.67632265      -0.13770369       0.40146509
Cl       8.83533005       2.14103002       6.81330005      -0.33084241       0.01491601      -0.28059506
Cl       0.82909896       0.91873898       1.65153997       0.65144735      -1.16278592      -0.17294710
Cl       9.56246002       9.30277997       1.70195006       0.21062084       0.15749366      -0.04479779
Cl       6.57606996       5.95339002       2.17044996      -0.57485060       0.63845033      -1.21249905
Cl       2.71789997       5.15046003       6.12198002      -1.75791377      -1.11635502      -1.65812658
Cl       9.45780002       6.92977002       5.72689001      -0.91695464      -2.06238078      -1.72447185
Cl       6.39233998      11.27009997       0.83766901       0.46543754       0.02567951       0.22385264
Cl       2.26198998       2.54409997       8.73583000       0.19184468      -0.19354210       0.47817252
Cl       0.77874502       6.45470995       3.13532994      -0.06580320      -0.79909805       0.65081259
Cl       9.03152996      11.01370000       9.37276999      -0.60683460      -0.63996584      -0.34457269
Cl       1.23915995       3.00302000       3.50233004      -0.01458014       1.11769611       1.44253664
Cl      10.51059995       1.94560995      10.82510000       0.72529203       0.32563171      -1.13908328
Cl       4.29522995       3.39521996       2.30528995      -0.49378131      -2.48786538       4.97697274
Cl       5.32973005       0.21099600       4.83241999      -1.20468910       0.21797520      -0.21945850
Cl       7.78337001       7.42646005      10.50919997      -0.51853165      -3.58006626      -1.54705157
Cl       3.60387000       9.46404999       2.61744002       1.65724050      -0.52520146      -0.53995786
Cl       2.06084999       8.07188000       7.73257000       0.04422992       0.65602007      -0.34803431
Cl      10.63789998       5.11758996       8.39952005       0.44092827      -0.37726107      -0.15014379
Cl       1.00544994       9.60306001       3.26985998      -0.81841954      -0.48305460       3.09522618
Cl      10.73589995       9.43754000       6.08129006       0.24189360       1.93206949      -0.29895955
Cl       5.28248004      11.36589999       9.15502998      -0.06545480      -0.03157595      -0.70502555
Cl       4.90837995       5.69673004       8.23888996      -0.16294239       0.11018425       0.30828122
Cl       3.95365005       6.78071002       0.21309597      -1.20229707       0.43992662       0.30179416
Cl       0.37028904       1.13273996       6.47932995       1.37771999       0.05230496      -0.91994607
Cl       5.63305995       7.83246998       4.97482998      -0.32476372      -0.25976453       0.86834206
Cl       0.79969996      10.49740001      10.42679998      -0.21151316      -0.26746142      -0.34444477
Cl       1.33663999       4.52700003       0.12239596      -0.23727218       0.12608268       0.05782089
Cl       9.59338004       2.36052001       2.45543998      -0.08588059       1.06759352       0.88215574
K        6.95179002       2.22996004       3.50911997      -0.47898506      -1.01884685      -0.88005244
K        5.21998995       8.70820997       7.78011996      -0.35074858      -0.26090870       0.45546917
K        8.46081001       3.64014004      10.66790003       2.09377956       1.02307084      -0.27247330
K        7.40358002      10.61120004       6.20008999       0.55594322       0.03335204       0.30039777
K        9.86151001       8.03814000       8.19751001      -0.02876991      -0.41935467       1.58970666
K        3.42053005      10.55619997      11.32070001       1.00593115      -0.04733719       0.09200321
Li       5.35084998       8.19071997       2.89560997       0.52226416      -0.26542568      -0.70663691
Li       2.53978002       8.31535995       4.56999004      -0.03546697       0.12156120      -0.11578807
Li       9.82599001       0.82582199       1.01166000       0.14539944      -1.02375675      -0.06708814
Li      11.49769645       4.16202005       1.98615000       0.04231155      -0.21941081      -0.41635623
Li       1.16954006       1.41226997      10.83010003       0.01406529      -0.35542419       0.04424598
Li       6.96985998       0.74524502      10.40439995      -0.25730461      -0.36695757      -0.26091602
Li       0.62036896       4.29815003       5.40696999      -0.06083010      -0.14607161       0.29042621
Li       6.03436001       6.55426995       0.00437701       0.48968422      -0.61247069      -0.14709728
Li       4.69963004       5.53668995       6.12870000       2.17855194       0.63640470      -0.51372545
Li       2.64433003       4.60453001       3.56710005       0.72246289       0.26298763      -0.37338435
Li       3.84427996       2.94047997       7.31292005       0.39723256       0.09178850       0.16826254
Li       3.12422997      11.46977808       3.41481002       0.30965644       0.34580415       0.17587372
Li      10.15509999       0.30018604       7.27303006      -0.91379872      -0.00287414       0.60217521
Li       7.77003005       5.56410001       3.69666998       0.59246418       0.18793203       1.45686770
Li       1.67770997       7.18306996       1.29555999       0.67474422      -0.21854009      -0.76552513
Li       4.36975000       4.23786000       0.75776396       0.26617759       2.63676402      -4.95740349
Li      11.50169999       1.33038000       4.05071003      -0.49097564      -0.54306527       0.11329342
Li       8.10475997       9.14985001      10.99620003       0.90037536       4.38254016       1.52658942
Li       8.81292002       4.54098004       6.14316001      -0.04560177      -0.11060146       0.85425667
Li       0.87897497      10.16539999       7.46910997       0.30957447       0.09689728       0.21621337
Li      10.53959995       8.25495003       3.83019997      -0.05926263       0.24387613       0.07682354
Li       2.29825001       5.88317001       8.11012000       0.23859322       0.18830032       0.93693561
Li       0.35956196      10.16669998       1.56178996      -1.32537551       0.86439633      -2.49176803
Li       0.50380706       3.53953996       9.49656996      -0.82353528       0.56536755       0.29103534
60
Lattice="11.50542303 0.0 0.0 0.0 11.50542303 0.0 0.0 0.0 11.50542303" Properties=species:S:1:pos:R:3:forces:R:3 energy=-442.70731523 stress="-0.030536544713510277 0.001592323796814699 0.0011506327118164376 0.001592323796814699 -0.033743259181378764 0.007033341102164708 0.0011506327118164376 0.007033341102164708 -0.02253147314805706" free_energy=-442.70731523 pbc="T T T" config_type=melt 
Cl      11.10649998       9.29100003       8.06004000      -0.70147021      -0.06201826      -0.02809125
Cl       2.43631003       6.21578995       8.69554998       0.01071495       1.35397852       0.03392171
Cl       5.36488004       1.13225996       3.48206002       0.23943075      -2.98222077       1.14098360
Cl       2.63905997       8.99960000      10.36959996      -1.46693384       5.57384820      -0.24094226
Cl      10.95519999       4.31129003       3.92293000      -0.13420596      -0.44306275       0.06010573
Cl       9.41904998       6.45221006       9.68705995      -0.45954513       0.08685984       0.54644671
Cl       4.80192004       7.30151001       0.69151803      -0.52037219      -0.60823325       0.82724923
Cl       3.25885999       8.21996998       6.24021999      -0.70933714      -0.95920408      -0.71487372
Cl       8.23902998       6.59116001       2.32971999       0.60416767       1.11660063      -0.12796712
Cl       7.94940995       1.08992000       1.21249003       1.84432925      -0.59757834       0.50307988
Cl       5.03280005       2.95413000       7.07402996      -1.40851440      -2.38332138       1.31449767
Cl      10.20500004       2.50832995       8.93715006      -0.23859948       0.00902692      -0.74137274
Cl       3.04807995       4.35827001       4.50283001      -0.25803318      -0.92972277       0.02102160
Cl       1.42654003       0.50044506       9.44146002      -1.72910687       0.87713742      -0.40544280
Cl       0.19242601       4.13572003       0.58969297      -0.05180041       0.15585186      -0.65068643
Cl       3.97536999      10.92259995       7.24369998       0.10066774       0.17502583       1.00908050
Cl       9.76657002       6.61005997       6.23677998      -0.31672798       0.14028822       0.83407397
Cl      10.97649998       8.18139000       4.07815000       2.54076345       0.84759801       0.25284441
Cl       6.87662003       9.57058998       8.27561999      -0.71518193      -1.47775981       2.36647346
Cl       5.83913001       6.70327001       9.24933004      -0.61968814      -0.20516401      -1.09735041
Cl      10.98739999      10.04389996       1.03869003      -3.84783930      -0.39558020       4.32093824
Cl       6.57753000       9.58627003      11.45050005       6.86780750      -1.41517982      -0.13562661
Cl       7.17403004       9.08881006       5.17577001       0.57308217      -1.07770412      -0.27248873
Cl       8.11964005       0.91173896       5.96655004      -0.87085896       0.26755068      -0.62212640
Cl       4.17106999       0.50952997       0.12915896      -0.82756001      -0.70996846      -0.75151834
Cl       6.91919999       4.60952003       4.73871005       0.64046657      -0.60737663      -0.69423964
Cl       1.15577002       1.51289996       2.50795004      -0.45280255       0.34325580       0.19251670
Cl       2.67273002       9.96002002       2.87618996       1.29727253      -1.58016322       0.29357110
Cl       5.30888004       3.56854997       1.48575004       0.33059212       1.36687233      -2.35921166
Cl      11.09390005       0.57691298       5.31444004       1.02558126      -1.11979817       0.77487070
K       11.06979999       6.77811002       1.76833002       0.00143281      -0.42297888      -1.09318267
K        2.01103002       3.74883005       8.63567000      -0.41914244      -2.48179777       0.21347190
K        5.35404999       5.36596006       6.80034000      -0.47810942       2.40512675      -0.13949809
K       10.62490000       0.93496001      11.26220000      -0.21773225       0.92315342       0.21313501
K        3.31976003       6.77353006       3.34345005       0.16992393       1.04435417      -0.14493744
K        2.49554996       1.11082995       5.66195996       0.20924785       0.88273288      -0.67888743
Li       2.72848001       0.19718201       1.90877005       0.51153612       1.17133567      -0.80024594
Li       8.19157000       7.52936997       7.61411995       0.41885624      -0.12671919       0.49168141
Li       7.84292001      10.67259999       7.13881999       0.92123862       0.81081163      -1.91109938
Li       5.15225005       8.46763997       7.52650005      -0.65042255       0.16594367       0.04283854
Li       5.05184003       3.01254004       3.31375996      -0.68283203       2.31041239       1.78570900
Li       7.21371995       7.44205002      10.58880001       0.87306474       0.06500230       0.40963394
Li       9.85493006       4.21278002      10.36200005       0.15445750       0.47228143       0.01489251
Li       9.80764001       0.56399998       7.12986003       1.55865697       0.57199293       0.91247856
Li       5.06427003       9.94040005      10.93719999      -8.62723963       1.72916287      -2.55546860
Li       9.33875996       4.87154004       5.14427000      -1.11048142      -0.24884275      -0.00488173
Li       0.66479301       9.87047998      11.27220005       3.97407393      -0.65200413      -4.53607928
Li       6.28811005       6.05323995       1.86030000      -0.87973422      -1.06128634      -0.21912127
Li       3.14022999      11.09689997       9.62919999       1.66459031      -0.31960886      -0.24228276
Li       3.12845005       7.32562998      10.50050003       2.03163520      -5.51163365       0.39509184
Li       0.89511501       9.76611003       3.79274004      -1.23543838       0.43882043       0.38307222
Li       6.28680004       2.03946003       5.75794004       0.15193434       0.26084203      -0.81015746
Li       1.14823995       3.88875003       2.69678004       0.62436109      -0.66388052      -0.19600101
Li       6.03035003       1.25336006       0.68657795      -0.54744186       1.07232508       0.22663241
Li       1.15169998       7.03625996       7.01635995      -0.23491491       0.40861211      -0.00419446
Li       1.41296996      10.10800001       7.42950002       1.01525046       0.28424868       0.18423798
Li       9.03751002       8.08811001       3.99499997      -2.19352961      -0.53445842       0.56300716
Li       6.44158997      10.83020001       4.41338996      -0.54316286       1.23192718      -0.28391042
Li      10.44600000       1.80272997       3.78793997       0.01911815       0.89877240      -1.00365283
Li       7.67641997       9.51367001       1.38113997       2.77450505       0.11551426       3.13798120
60
Lattice="11.50542303 0.0 0.0 0.0 11.50542303 0.0 0.0 0.0 11.50542303" Properties=species:S:1:pos:R:3:forces:R:3 energy=-447.79047699 stress="-0.018520059539493188 -0.003177540118802862 -0.006905284583715729 -0.003177540118802862 -0.006705722072411356 0.0016723728864936887 -0.006905284583715729 0.0016723728864936887 -0.008554473084968886" free_energy=-447.79047699 pbc="T T T" config_type=melt 
Cl       2.30917004       2.19319998       6.29866996      -0.30265517      -0.45664074       0.06622992
Cl      10.99250000       8.93434998      10.42730000       0.40526836      -1.38558091       0.31792913
Cl       7.60054999       3.16278004       8.55224004       7.52944411      -0.31120451       4.42308740
Cl       7.46526002       4.76085995       3.14286001      -0.42914008       0.37946107       1.41137235
Cl       6.60147002       0.95452798       5.97295005       2.01181196      -0.11446686       1.48324859
Cl       6.58663999       4.04180000       0.36864503      -1.12551269      -0.07309720      -0.30846013
Cl       4.72983005       7.13810999      11.47089997       0.23983905      -0.23666792      -0.59517626
Cl       4.37878003       8.95349995       8.30339005       1.17502920       0.34572097      -0.04076477
Cl       1.73708002       5.96653002       7.62390002      -0.25542466      -0.19566653      -0.46525234
Cl       4.41814998       2.44395998       9.15416995      -0.27806179      -1.01874620       0.12688064
Cl       9.59110001       2.27577003       0.87763298      -0.71872619      -0.99865699      -0.03411426
Cl       8.00824005       8.01189003       9.24426995      -0.74196220       1.39924505       0.28383233
Cl       4.61767001      11.37930001       2.08284997      -1.84428611      -1.93167216       1.01967026
Cl       9.81101996      11.06770002       7.39246003       0.04801177      -0.33305988      -0.02511212
Cl       9.12729006       6.69348004       6.72424002       0.66602734      -0.55091006      -1.16904330
Cl       6.06986000       8.84380000       5.47350999       0.21034111      -0.02569189       0.08003577
Cl      11.11609999       2.75161005       8.66484005       0.05826981       0.38626823      -0.09781055
Cl       3.42638999       3.74895005       3.22282006      -0.02551688       0.23469756      -0.12928171
Cl       1.23204005       2.32619001       0.78255205       0.56460124      -0.55623401      -0.19220575
Cl       6.43138996      11.27160004       9.74583000       0.88986923      -0.03597516       0.76688375
Cl       9.27977005       5.37705002      10.74580003       0.71880744       0.20818935       0.08605620
Cl       0.50326596       5.89448997       3.87381001      -0.00825909       0.07895409      -0.00864332
Cl       7.98336004       8.37846006       2.57082004      -0.03947517      -0.10304407      -0.59330036
Cl       4.72824000       7.22744005       2.87777000      -0.41171407      -0.14966389       0.47908043
Cl       1.75641006      10.82550005       9.64959001       0.82947534       1.18550149      -0.25934770
Cl       1.81247000       5.29753006      10.91269999       0.31913757       0.11034265      -0.12343063
Cl       2.48707000       9.44147002       6.06840997      -3.84594807      -1.07104687      -2.04418590
Cl       5.91536000       5.39001997       7.37322998      -0.66909227      -0.61776908      -0.35310021
Cl      10.46270000       2.56128999       4.68899995       0.52083253       1.36746789       0.29728917
Cl      10.90990003       9.60937004       4.34466001       0.47897056       0.28515540      -0.43135904
K        9.20373002       0.30353699       4.01382997      -0.73961785      -0.73420534       0.01392716
K        4.58356000       1.41602004       4.60990995      -2.16699284       0.43404049      -1.12450711
K        6.45716003       1.21175000       1.14560003       2.08096362       1.17678441      -1.38157968
K        3.52158000       6.48057000       5.24335999      -0.11613135       0.06311720       0.67584974
K       10.23439996      11.44620002      10.30569999      -0.08848674       1.54776800       0.01494255
K        1.72398996       9.64407995       1.71712997       0.00220138       0.00875476      -0.00873255
Li       0.84841104       2.73978006       2.88281996      -0.03409874       0.06875046       0.38469171
Li       7.98339996       5.94106001       9.03080006      -0.01039696      -1.09495507      -0.16142384
Li       2.54928995       5.17141003       1.61197995      -0.20864862       0.05592362      -0.32187658
Li       3.98486001      10.29890006       6.64957995       3.49991897       1.28988523       1.02854677
Li       3.76478002       7.78451998       9.77083002      -1.07660395      -0.67126619       0.49617263
Li       9.82570996       8.58804998       7.79131002      -0.15317811       0.56841276       0.50976244
Li      10.71189999       7.65048997       5.04426003       0.18324320      -0.78344249      -0.05707996
Li       7.71406997       6.64868000       4.36371000      -0.23585919       0.67268356       0.23966826
Li       9.09663996       3.99699995       2.05413002       0.54588180       0.18081792      -0.40663687
Li       6.26068998       3.10657996       7.57435997      -7.09428856      -0.47192001      -4.80149944
Li       1.72314995       1.76018004       9.61075000      -0.17968268       0.15119933       0.10750985
Li       6.22395995       7.38311004       7.71723995      -0.06990412       1.97564775      -0.10349382
Li       0.16053505       5.35886995       9.11189005      -0.06754327      -0.40675934       0.73804030
Li       7.67706002       0.20287697       8.01801000      -0.00790192       0.07419381      -0.67512252
Li       6.31132995       6.73576006       1.43958004       0.63401763       0.06355837      -0.15332856
Li       8.27592005       3.25339998      10.63710001       0.64114899       0.28991211       0.38279078
Li       5.38503996       4.22871998       2.27698005       0.10001950       0.31013177      -0.05211807
Li       4.34513001       0.06397694       9.99844997      -0.84942750      -0.00999097      -0.30643644
Li       1.24500999      11.25040004       6.99235998      -0.16057814       0.14003343       0.01354191
Li       5.75263006       9.31344999       3.17867996       0.06390144      -0.22498733       0.13564819
Li       9.45384998       3.27949002       6.93016006       0.27465697      -0.45518455       0.17307672
Li       3.59859994       4.32653000       9.46657003      -0.57954198       1.17517193       0.23951046
Li       9.13844997       8.31010001      11.27399996      -0.47182064      -0.74716599       0.19161757
Li       0.64613501       4.72233001       5.81905006       0.31478749      -0.46211848       0.23753082
60
Lattice="11.50542303 0.0 0.0 0.0 11.50542303 0.0 0.0 0.0 11.50542303" Properties=species:S:1:pos:R:3:forces:R:3 energy=-445.58131875 stress="-0.015664556431655055 0.003253579931404277 0.0011711863259264456 0.003253579931404277 -0.024315441870914115 -0.0005081446011822869 0.0011711863259264456 -0.0005081446011822869 -0.019902553848325386" free_energy=-445.58131875 pbc="T T T" config_type=melt 
Cl      10.38400003       9.46806999       3.71714998      -0.06456848       0.03925823       0.70335976
Cl       3.27944998      10.10200004       5.20208003       1.70612640       0.28653184      -0.87141323
Cl       3.91219003       4.98134999       1.21831005      -0.19433475      -1.07872765       0.39009338
Cl       6.55342004      11.10069999       3.28888005       0.20319499       0.45183056      -3.22705630
Cl       1.46263001       2.21186995      10.23309997       0.20539970       1.08593666      -0.00392889
Cl       5.45086996       1.50955004       7.29731996      -1.04987842      -0.53270522      -0.57853834
Cl       3.52016000       8.09600998       1.43237995      -0.55648688       0.72282114      -0.48345308
Cl       9.67532005       3.03296999       1.06926006      -0.11806990      -0.10862040       0.12480542
Cl       9.76912998       8.88158001       7.97192997       0.31187633       0.61613716       1.56521146
Cl       7.24964000       4.46488996       6.97152999      -0.55324760       2.41719062       0.58918213
Cl       1.56635002       6.95967998       6.34030003      -0.50070721      -0.53917131      -0.35813268
Cl       2.34967995       3.69171000       6.98014997       0.45198265       0.07736849      -1.21172270
Cl       6.17375005       9.94265005       8.59490997       1.07452053       0.78635897       0.05140099
Cl       5.64426002       3.67402996       4.70852005      -2.06778290      -0.38589246      -0.99525965
Cl       3.66774006       0.92308596       0.42987102       2.55184265      -4.12644361       0.70735413
Cl       7.29625997       8.18480998       5.31661997      -0.53720901       0.58740506       1.01932844
Cl       0.55171702      10.89469999       1.14294999       0.17566718       1.83528600      -1.72768122
Cl       0.68399004       5.63396002      10.33500005       0.53093301       0.80571268      -1.00080474
Cl       0.59138104       0.21954303       5.97341004      -0.96853196      -0.29172554       0.06276773
Cl       1.58588001       3.07931004       2.46552000       0.25947071      -0.00685743       0.16567804
Cl       8.36404998      10.19910006       0.28570899       0.30190432      -0.07525701       0.06573488
Cl       1.87164998       9.32015995       8.81330004       0.50723562       0.16747243       0.49366157
Cl       7.78479001       1.99212005       9.84745004       1.16192759       0.48731429       0.96129242
Cl       8.54142000       1.36294001       6.31727998       0.79311274      -1.15791510      -0.17675660
Cl       8.68927998       6.21016000       9.44443003       0.07032175      -0.21700702       0.02356544
Cl       4.40470003       5.87067995       8.79689998       0.33904148       0.69330035       0.15717300
Cl       9.78709006       5.81077996       5.13994005      -0.97433446      -0.16672451       0.12531910
Cl       6.20230997       4.43427000      11.36830002       2.41759093      -2.43358269      -0.88925000
Cl       7.52956003       7.21367002       1.87351996      -0.78717001      -0.34833623      -0.98132461
Cl       0.22550100       6.72191006       2.35666006       0.28688250      -0.06184408      -0.63058363
K        4.04439999       5.87475000       3.77737995      -0.40122383       0.55235198       0.95174632
K        7.78885004       4.00185996       3.29227001       1.48045798       0.63951933      -1.06559418
K       11.00010002       1.19719001       3.24363003      -0.00700063      -0.30944412       0.40965866
K        4.16787999       1.20507996       3.64318001      -0.93293800       0.07412076       0.04068373
K        9.74312001       3.93601005       7.42013000       1.75383818      -0.61364745       0.85173286
K        2.38599003       1.22598003       7.94509001       0.50304422      -1.55872462      -0.55409505
Li      11.40088107       1.35074000      11.10300003      -1.10291443      -0.71908184       1.13056757
Li       6.65250003       4.97602999       8.85640005      -0.35464571       0.47044994       1.76582098
Li       1.65241001       5.36537006       7.94971001       0.39262631       0.65254328       0.96233698
Li       7.42461999       2.58539005       0.43047701       0.19241280       0.03277014      -0.51234780
Li       9.34010000       8.74075996       2.01865995      -0.49986047       0.46718897      -1.27021373
Li       2.52268998       6.34557998       0.82840703      -2.05592739       0.15941181      -0.73826377
Li       1.72918995       9.10598995       6.09408996      -0.74762067       0.58436917       0.59958102
Li       7.11119996       2.85826003       5.96320001      -0.33866431      -2.38527144      -0.52385229
Li       5.57630001       6.26314006       0.11312696      -0.61890923       1.47376743       0.29885425
Li       9.56026996      10.23840005       6.60911998       0.28074269       2.04801106      -2.52034726
Li       3.08030998      10.87169996      10.85713099      -1.13154280      -1.33258899      -0.78330106
Li       8.38347999      10.26269997       9.60216006      -0.29199546      -0.40734316       0.38030632
Li      11.32831004       7.78976001       8.83190006       1.30932581      -0.54098116       0.83167129
Li       0.26735198       5.90113999       4.51059997       0.88685511       0.23985699      -0.22052842
Li       8.35090998       7.33754005       3.71708003       0.99817134      -0.12701923       1.42677385
Li      10.95680005       4.87396999       0.37377702      -0.25290147      -0.19003714       0.69916681
Li       3.33204000       2.65150999       0.63783902      -1.71678834       5.28360192       0.49504900
Li       5.09609000       9.05908004       2.21370000       1.67564542       1.14152847       0.87216505
Li       4.96438996       3.49965998       6.87147998      -1.01901200       1.15832972       0.31304707
Li       6.36708005      10.79670002       5.12118000      -0.37858854      -1.09474715       3.29856116
Li       8.73256005       7.20633002       7.47101998      -1.27115260      -1.06573340      -0.96255726
Li       7.12531999       0.91645895       8.37382004      -0.35653622      -1.13463030      -1.23873681
Li       0.61783604       9.19329000       2.07049004       0.10630339      -1.90409981       1.36326682
Li       4.63261003       8.58358001       8.83983005      -1.07791065      -1.12358537      -0.37117437
60
Lattice="11.50542303 0.0 0.0 0.0 11.50542303 0.0 0.0 0.0 11.50542303" Properties=species:S:1:pos:R:3:forces:R:3 energy=-445.94582003 stress="-0.009694576196127703 0.0010521020704685594 0.003857850476505967 0.0010521020704685594 -0.013764073226201955 -0.001033905112891284 0.003857850476505967 -0.001033905112891284 -0.030222377259394848" free_energy=-445.94582003 pbc="T T T" config_type=melt 
Cl       8.93354000       9.33948998      11.36909999       1.05703370      -0.64265228      -0.59865933
Cl       6.23992004       2.49583000      10.57460002      -1.10449168      -0.52695935       1.14709015
Cl      10.46130002       7.96903003       3.08563998      -1.48534766       0.97401731       2.90644863
Cl       1.23349997       7.92536005      11.14230003       0.49993281       1.19845983      -0.24073502
Cl       0.58865104       0.04394220       9.97698005       1.43521632       1.60991764      -3.79790266
Cl      10.02150005       6.15489002       0.93419203      -0.36337153      -0.61412584      -1.35536254
Cl       5.87994999       4.10944004       7.37083996      -1.38693635       0.01950323       2.38127731
Cl      11.18480003       9.06454006       5.96800996      -0.34734928       0.27329129       0.57329370
Cl       4.47976002       0.75655198       4.94753003      -0.42835585      -1.14581762       0.02887231
Cl       3.22743994       4.47681003       4.90565995      -1.46494488      -0.52663376      -0.82095607
Cl       0.99959000       6.12652996       7.33965003       0.22478687      -0.40615759      -0.51339667
Cl       4.75931005       7.28166005       6.81506003       1.83445951       2.38036331       0.23563342
Cl       0.98175303       0.52504802       5.78554995      -1.18884041       2.45212300       3.51496436
Cl       7.38361996      10.06420001       3.56655999       0.08871743      -1.34909479      -2.94060460
Cl       3.58924995       9.77304999       8.99992997       1.13545164       0.08509511      -1.00862458
Cl      10.95929995       4.25222004       4.58374995      -0.91840457       0.77706317      -1.95259527
Cl      11.24970005       2.98831998       0.58527097       0.66320070       0.56877420       1.07844616
Cl       4.04776004      11.37550000       1.48875998      -0.67240287       1.33380999      -1.17147688
Cl       2.76806004       8.05753999       2.69512003       0.62520475      -0.17712272       0.62745209
Cl       2.61722004       2.95056999       9.46151995      -0.68369940       0.60695393      -1.29554393
Cl       5.86504000       3.56903998       3.76498999      -0.25376128      -0.04503895      -0.01167631
Cl       3.86058004       4.47170002       1.39481003      -0.45746124       0.06859439      -0.85798016
Cl       8.86351006       7.12499001       7.95059995      -1.15075769      -0.75594684      -1.60990647
Cl       9.82880999       3.20139006       8.88650997      -0.90684048       0.83222453      -1.34423257
Cl      11.22350001      11.38120001       2.21338003      -0.42275331       0.17461506      -0.08404224
Cl       7.63001998       6.40647002       4.88897996       0.01095220      -0.47799021      -0.88491119
Cl       7.12503995      10.45709997       6.44370996      -0.73642109      -0.71188772       1.19101514
Cl       5.69907001       8.14262006       0.64119596      -0.23915746       0.28137784       0.04439808
Cl       8.83580005       1.96374997       5.44386995      -0.24743027      -0.42120593      -0.16933084
Cl       8.19528003       2.87554002       2.14203997      -1.38309761      -1.50709037      -1.12368988
K        7.45935003       0.02096369       0.32198099      -0.50673055       0.68980378       0.41529233
K        1.06823999       5.45656998      10.03099996      -0.52296300      -1.35006918       0.41113495
K        1.39424994       5.15789000       2.53467001      -0.73100672       0.22188767       0.00078644
K        2.04018004      10.93089996       3.98624998       1.05148434      -2.36516882      -3.17309538
K        4.19604998       1.47468999       7.55657005       0.10364099       0.28952560       0.76041037
K        4.79128995       6.74608997       9.50426996       0.16307894      -0.28898491       0.98784576
Li       6.34858002      11.48448684       4.44072995       0.41662579       1.48042612       1.19747230
Li       0.25248398       3.85659997       6.30471997       1.03094547      -0.44319091       2.08105792
Li       0.00277327       7.88332004       1.47929999       0.93368806       0.00493660      -1.62405807
Li       5.04663003       9.91908004       2.40760998       0.78512973      -1.88766020       0.26709230
Li       8.48086005       8.13652000       1.81619005       0.18232887      -0.21325657      -0.12123899
Li       6.87382996       4.15041004       5.72297000       1.68151011       0.07945043      -2.48480846
Li       1.73664995      10.27020001       8.12813001      -1.64212650       0.33328147      -0.31768605
Li       9.14614998       9.43096005       4.65016995       1.21331272      -0.43809787       0.27847322
Li       9.76122000       1.79253996       3.08121004       0.72994623      -0.57852165       0.49936400
Li       7.32228995       7.80772998       6.38014998       0.00289178       0.54821934       0.75563296
Li      10.51710006       2.07027006      10.38420000       0.69496502      -0.94726877       0.35803781
Li       7.22803005       3.51243997       9.12015002       1.28978937       0.50856448      -1.08071626
Li       9.49514996       4.33717999       2.13831002       1.50086076       1.43408105      -0.16419463
Li       3.58702998       2.40259005      11.09290000       0.82372309      -0.26602365       1.53658876
Li       3.44610005       9.49845006      11.09307304      -0.18800860      -0.20821706       1.49509991
Li       4.41374996       6.38249996       3.39361001      -0.05829060      -0.27639069      -0.44620097
Li       5.83664001       3.75510004       1.24992994       1.13321781      -0.47636147       0.48923754
Li       4.84980998       9.33020004       6.69878002       0.41599693       1.43333458       0.22940635
Li       3.76930004       2.49421003       4.05223001       0.35316908       1.03669635      -0.64800446
Li      11.42209995      10.78430005      11.47462359      -1.69852220      -1.95600886       3.78487272
Li      10.30280005       0.57384298       6.33428004       0.01541449      -0.18229092       0.11950660
Li       3.83282999       5.80542004       6.21606999      -1.61186491      -2.08146417       0.33343185
Li      10.58470006       6.34595000       6.07064996      -0.20377331       0.65013436      -0.21699937
Li       9.79380002       7.63511999       9.55756998       0.90843577       0.92017398       2.32899441
60
Lattice="11.50542303 0.0 0.0 0.0 11.50542303 0.0 0.0 0.0 11.50542303" Properties=species:S:1:pos:R:3:forces:R:3 energy=-448.09256942 stress="-0.01373128550522412 3.390532560191507e-05 0.0030782567514544027 3.390532560191507e-05 -0.004835472699714981 0.0026766672564842863 0.0030782567514544027 0.0026766672564842863 -0.014496603294836945" free_energy=-448.09256942 pbc="T T T" config_type=melt 
Cl       8.20979999       0.07571949       2.86171004      -0.07557396       0.60232566      -1.05681585
Cl       8.08348000       4.08378996       0.77195900      -0.49297427       1.21652008       0.41444782
Cl       9.40838998       1.59725002       7.62838000      -0.98445945      -0.97490662       2.77171138
Cl       5.19382006       7.95198003       9.13661003       1.06352197      -1.57307949       0.94534703
Cl       7.64491996       8.79494004       0.02477693      -0.92101489       0.55299904       3.74755447
Cl      11.44560001      10.92270005       2.90683995       0.75367726       0.64878313      -0.47798117
Cl       2.28374996       1.76273999       1.49046002      -0.00607866      -0.16512693      -0.86428495
Cl       2.66878999      10.19750000       9.40818000       1.28737511       0.02862118       1.74724163
Cl       6.06509997       0.89993095      11.24689997      -2.82672804       0.02302768       1.19548456
Cl       9.23775995       8.44236003       3.26813002      -1.15817689      -0.55145786       0.03326265
Cl       4.77763002       1.57964005       7.70717006       0.20092236       0.17248622      -0.22921691
Cl       4.32328995       9.07056004       5.98966996       0.47538973       0.32153625      -0.57192272
Cl       5.47704998       2.89721003       2.08409003      -0.25313917       0.76329184       1.13107373
Cl      10.01999997       1.12566999      10.66559998      -0.37011287       0.35958897       0.86154271
Cl       8.23553003       5.94589999       9.11048006      -1.15284418       1.07264238      -0.69039937
Cl      11.26130004       4.05175000       1.61631002       0.07104339       0.29136999      -0.38312921
Cl       0.96881599       9.38304997       5.84806996       0.37204774      -0.60702118      -0.94860745
Cl       2.02097001       2.15300003       4.84358002      -0.28732837       0.19918870       0.44835672
Cl       4.16645999      10.87609998       2.73962002       0.64955377      -1.42309063       0.43970144
Cl      10.88400006       9.55273000      10.95750004       0.60838985      -0.24688841       0.37266934
Cl       2.92885006       5.47792002      11.31509998       0.18265600      -0.22734063      -0.82644576
Cl       2.09254996       7.83638999       1.65445003       1.84442102       1.79349307       0.25859091
Cl       2.87019000       5.52733006       3.83011000       0.44823042       0.13066838       0.21893876
Cl       1.86444000       2.18841004       9.17027006      -0.68785319      -0.38698146       0.88958227
Cl      11.06950004       5.17721002       8.81805995      -2.38132426      -1.14255731      -0.27508010
Cl      10.55120006       5.84576001       5.19500995       0.39585230       0.00842400      -0.93736314
Cl       8.41761002       9.58676005       7.43976999      -0.38296316      -0.72071058       0.38046856
Cl       2.59696002       5.31623005       7.34050005       0.13504084       1.46253211      -0.37467616
Cl       8.90242002       2.93842004       4.56096001      -1.36385761       1.34476886      -2.21296857
Cl       6.97254005       6.26574005       5.73157996       0.01614604      -0.86964066      -1.23212745
K        0.41101398      10.31850000       8.21601004      -2.38473323       0.95640465       0.42633594
K       11.15149999       7.10336005       1.45676006      -1.45497915      -0.43599653      -0.26653882
K        5.62656997       4.65115999       9.69300998      -0.31193697       0.00153831       0.35800843
K        6.95103998      11.10129999       5.23802999      -0.07382403       0.04826371       0.97023801
K        5.38450001       7.59011998       3.34429006      -0.29980494      -0.33277004       0.07146637
K        5.01032996       3.82992004       5.65060997      -0.07713447       0.21685943      -0.62445994
Li       7.28510995       9.75430996       2.04608002       0.65858269       0.06104720      -0.41493097
Li      10.09170004      11.18040001       1.13824001      -0.34209132      -0.15838937      -0.28596147
Li       3.62636000       0.29591499       4.62587004      -0.89083991       0.23188185       0.36110327
Li       8.98422001       4.62088002      10.59250004       1.19020720       0.11289296      -1.00066023
Li       9.91564003       2.10576003       5.94411999       1.75092822      -0.30030729      -1.24822593
Li       7.91024998       8.54515995       9.72051001       0.61210319      -0.54703640      -3.44599603
Li       7.77456997       2.33284003       1.75582995      -0.42896221      -1.29779905       0.84795410
Li       6.87382996       7.56703999       7.32001004      -0.08305083       0.89469878       0.85784804
Li       0.47445396       4.16336998       5.51210999       0.83036407       0.19351115      -0.14253826
Li       7.55386996       0.67288696      10.15909996       3.24981452      -0.35768760      -2.06378531
Li       4.29029999       9.45543001       8.23157999      -0.42789160       0.91120424      -1.15992461
Li       1.32514998       5.54471003       9.30381995       3.46420005       0.55513818       0.87771961
Li       2.85150002       3.43405997       7.83989006       0.39026090      -1.76825835      -0.09075783
Li       3.32262005       7.97711006      11.23640001      -0.03725270      -0.40246737      -0.20821614
Li       0.03013961       2.89864004      10.56560002       0.15861116      -0.22319081       0.16220295
Li       9.75356003       6.10931002       7.08597996      -0.55283983       0.03036261       1.02119896
Li       4.51389006       1.04486005       1.50527003      -0.07260144       0.55621469      -0.41036903
Li       0.42857597       2.31465997       2.72519003       0.30635010      -0.66872192       0.27422103
Li       3.69078001       0.73623904       9.67553002       0.08270786       0.41516529      -0.13956416
Li       2.54186998       8.27957003       4.67665003      -0.31042091      -0.35964705      -0.09532765
Li       2.98586000       4.13823006       1.89805999      -0.01072317      -0.04645058      -0.05442081
Li      10.76939995       9.50294005       4.50998005      -0.24682103       0.01992482      -0.21911711
Li       1.34144995      10.60350003       0.54256699      -0.31358344      -0.19516922       0.36032561
Li       8.58292995       5.29982999       3.67272996       0.46552239      -0.21468210       0.50721679
60
Lattice="11.50542303 0.0 0.0 0.0 11.50542303 0.0 0.0 0.0 11.50542303" Properties=species:S:1:pos:R:3:forces:R:3 energy=-448.58629005 stress="-0.016133394036852995 0.002257086767496539 0.006187267446862498 0.002257086767496539 -0.012217724017359472 -0.006034517814379533 0.006187267446862498 -0.006034517814379533 -0.012318972180573214" free_energy=-448.58629005 pbc="T T T" config_type=melt 
Cl       2.18175001       8.93503996       8.05129001       0.47946589       0.38246660      -0.57698747
Cl       7.82865996       8.42594996       2.18638003      -0.76749882      -0.15988446      -0.56062031
Cl       5.80275999       5.66148996       3.51502996       0.37832951      -0.97450639       0.52984193
Cl       9.81610995       5.58498995       9.92711002      -0.14460512       0.24148631      -0.81709879
Cl       1.06677995       1.34195998       6.61204006       0.17893488      -0.30856464      -0.75038916
Cl       7.62576999       2.41430004       6.06255003       0.38661299       0.29795725       0.02169443
Cl       5.51680996       7.83486000       8.13571002       0.36169473      -0.70338707      -0.90268086
Cl       6.34657002       5.43582996      11.35499998       1.12242259       0.80037400       0.24433084
Cl       7.74610003      11.02440005      10.86800004      -0.10237487      -0.68696185       0.59741881
Cl       2.91630006       6.97096001       4.58396004       0.15205986      -0.11745675       1.14138443
Cl       9.35357998       5.96090997       4.80820004      -2.21075517       0.87454994       1.04490859
Cl       1.03802997       9.54128003       0.02577698      -1.20187445       2.51825630       2.44238875
Cl       7.73063997       9.27934999       5.68184996      -0.17040409       0.29556711       0.77658418
Cl       0.35902005       5.35724999       7.00345995       0.66674048      -0.99729426      -0.74946839
Cl      10.45400006       8.89726996       8.12809998      -0.54871033       0.35071706       0.07981061
Cl       2.07982002      10.63260001       3.86289999       0.05783180       0.76343724       0.99552858
Cl       9.55194003       1.06272003       8.29920001       0.19174928       0.22607906      -0.11016776
Cl       5.25745000       4.15475000       8.66390995      -0.03339712       0.20741642      -0.71503785
Cl       3.60290999       0.90279695      10.38879998       1.43756990       0.24166744      -0.07101019
Cl       0.57049997       2.71765996      11.17809996       1.28296062      -1.94457071      -0.72862624
Cl       3.80822001       3.71722994       1.02355005       0.42764797      -0.23327666       0.28705819
Cl       0.02107701       7.17984005       2.36888998      -0.80025899       0.40229512      -0.15733590
Cl       6.92081995       2.08980995       1.73649003      -0.28378762      -1.00314167       0.60630534
Cl       2.01370997       6.45861996      10.92740001       0.20766926      -0.26956693      -2.40740613
Cl       5.82499997      11.23580000       7.28924005      -0.08103757       0.17717723       0.47594301
Cl       4.18111997       9.05880000       1.55444996       1.66469978      -0.42036306      -0.54520516
Cl       9.80888996      10.86220004       3.11403996      -0.28005315      -0.12780850      -0.02664404
Cl       0.87314299       4.08026999       3.45799999       1.50777512      -1.01400244      -0.18291466
Cl       9.54829995       4.50902004       1.34459001      -2.02268695      -0.26244206       2.10231374
Cl       4.65408996       2.43187998       4.77619000      -0.93012286      -0.03114573       0.04749551
K        5.38514995       9.51593002      10.12860001      -1.05433891       1.15136273       1.46019748
K        2.69088005       6.07107002       1.82583999       0.09630754       0.41743414       2.22869075
K       11.46528544       1.45106004       3.33275000       0.62147867       0.27425910       0.21121064
K        3.46923999       0.90235296       1.62100998       0.17073017      -0.24931573       0.69445731
K        1.32873001       0.39489201       9.23748003      -1.55979677      -0.38227050      -0.09393081
K        9.75167004       9.08245998       0.04817700       0.57406150      -0.18908936      -0.32212554
Li       7.67141005       3.66694998       0.56931100      -0.08584871       0.80895338      -0.38225801
Li       5.22166997       3.63873005       2.93253996       0.32235273      -0.23542718      -0.37742350
Li       8.06019003       0.17982700       5.90066999      -0.19453808      -0.44992228       0.44993276
Li       1.92859999       8.63698001      10.18390002       1.29871470      -2.05309078      -1.83927109
Li       9.12361005       6.69527995       1.50163995       0.29373870      -0.49159695       0.51580668
Li       3.53398998       7.51156003       6.87654996      -0.13551203      -0.07503139      -0.50092039
Li       2.29616005       9.49715006       2.11429004      -1.63041430      -0.57469587      -0.18006032
Li       3.94419996      11.49658261       5.83536003      -0.11294723       0.38162005      -0.05852937
Li       8.55264998       4.06586003       5.15623000      -0.16496703       0.13312946      -0.74852377
Li       7.52302001       9.46013999       8.27997997       0.40563679       0.27984042      -1.18537137
Li       4.32958998       5.43969003      10.78230006      -0.44119192       0.00752411      -0.37747830
Li       8.06720995      11.37109998       1.86912006      -0.56281902       0.31016007      -0.34246909
Li       2.84794001       3.24654999      10.69930005      -0.57222755      -0.78773688      -0.61492421
Li      11.14961702       4.28029005       0.32034998       0.91448299       1.82774003      -0.87749637
Li      11.05490806       5.46218002       4.04671005       1.25930320       1.03355169      -0.67779766
Li       2.55203997       4.42379995       5.09212006      -0.27737723       0.21303265      -0.07810447
Li       7.76278002       1.10893996       9.52176004      -0.21692323       0.63597481      -0.71420537
Li      10.35050004       3.75152002       7.65819998       0.33251939      -0.32344861       0.54878548
Li       5.56370997       7.60337998       2.86551995       0.05315937       1.00183906      -0.25932388
Li       0.66145701       9.98973001       6.55515000      -0.18414480       0.13971527       0.02916116
Li       6.86639999       6.17440000       8.38733005       0.05432955      -0.92002585       0.64998386
Li      11.15289997       6.76070002       8.34401996      -0.38397967       0.46452123       0.79529130
Li       5.75374999       3.59473999       6.45412997      -0.41077772      -0.29566714       0.15747400
Li       8.88713000       9.05874006       3.98635997       0.66439136      -0.57841360      -0.20219191
60
Lattice="11.50542303 0.0 0.0 0.0 11.50542303 0.0 0.0 0.0 11.50542303" Properties=species:S:1:pos:R:3:forces:R:3 energy=-445.55472974 stress="-0.01869154693759466 0.002871508284587746 0.005004828528827326 0.002871508284587746 -0.02647342937061537 0.0036907237711703853 0.005004828528827326 0.0036907237711703853 -0.01418420588277754" free_energy=-445.55472974 pbc="T T T" config_type=melt 
Cl       4.32374005       2.45944997       5.48620001      -0.63681001      -0.19364568      -0.56132284
Cl       1.25792000       0.12640295       2.92593999       1.33494820      -0.89164762       0.73973309
Cl       9.63522998       6.56309000       7.01653000       0.50918412      -0.82669906      -0.41679743
Cl       5.78780996       0.75860201       1.50524000      -0.01556928       0.65421360       2.01690543
Cl       9.98956997       7.94135995       2.73863999       1.36178358      -0.24539732       1.04399686
Cl       9.30772006       3.20176997       1.34326999      -0.79400901      -0.01136497       0.56172417
Cl       2.98258004       1.25607004      11.38469996       0.92674463      -1.21615427      -1.07277383
Cl       8.87456999       5.82127003      10.50450001      -5.36041309      -1.70224841       6.90785662
Cl       7.56711995       3.68076995       5.36659999       0.76964696      -1.25979601       0.04913889
Cl      11.01160003       2.38861004       4.48267999       0.68690431       0.62906414       0.95669295
Cl       6.84140998       7.48655000       8.61366002       0.94393139      -3.95606107      -0.67030552
Cl      10.97740005       4.38357998       9.36384995       2.23973066      -1.00532557      -0.72961178
Cl       5.50002999       1.27825998       8.61948003       0.16652808      -2.93884392       2.90056017
Cl       5.50178997       4.88703002       8.29503999      -0.52159595      -1.15668909      -0.45393926
Cl       7.92385997      11.04079999       7.77344003       0.32033860      -0.56088592      -0.49664550
Cl       1.29557000       4.49368999       0.60968997      -0.54811199       1.20622724       0.32640554
Cl      10.93139999       1.03945997       8.34495995      -0.58003605      -0.39248889      -0.96942754
Cl       8.46950006       0.39469101       4.23567006      -0.33705153      -0.57792772      -0.11685676
Cl       2.62098001       6.77150004       8.64816996       0.25377259      -0.27568859       0.07324384
Cl       6.67889002       6.47944006       3.95274998      -0.00983805       0.17477182       0.35120076
Cl       1.34465996       5.61865999       4.68751000       1.81597562       0.39978549      -0.98277176
Cl      11.15879996       8.81744004      11.04070001       0.25761449      -0.23080936      -0.44929688
Cl       4.07266997       4.39500003       2.55562000      -1.08154003      -0.45672573      -0.73571432
Cl       3.98799995       8.47859003       3.26227998      -0.00648118      -0.92886894       0.67969639
Cl       2.18087997       2.48807005       8.15773001       0.20839454       1.74537759      -1.26438087
Cl       7.07923996      10.18560006      11.05069995       0.21903356      -0.02387181      -0.14250786
Cl       3.11598001       9.61023997       0.14998999       0.90627037      -1.04578553      -0.77250812
Cl       6.04977003       6.43057998       0.54184203      -2.12329532      -0.69612012      -1.18751186
Cl       2.02305997      10.29700005       6.26678003       0.04350648       1.42405943       0.19873297
Cl      11.31509998       0.75062001       0.14367696      -0.55549074      -0.17752860      -0.73714597
K        8.17920995       7.72729005       0.79057098       1.25068198       1.84185756       0.14713658
K        5.19297004      11.16589995       5.85718996       0.21017379      -0.11071295      -0.05472322
K        2.66035996       0.11417694       8.89934001       0.28222962      -2.37706005       0.22374693
K        8.78088996       8.89137999       5.71177004      -0.04911782       0.08837880      -0.46254417
K        8.46794004       3.87422996       8.48309003      -0.94783356      -0.78190005      -0.67499368
K        2.74495002       7.76041002       5.78935997       0.41894679      -0.31659159       0.13275155
Li       5.31319998       2.63165002       7.41509005      -0.33057280       3.23684244      -1.99875521
Li       0.81807895       6.57838002       2.57424003      -0.45507421       0.05365369       0.04578233
Li       7.86570995      11.40880003       2.06604998      -0.06783226      -0.03219088      -0.35237974
Li       6.56065005       5.36125998       6.12821999      -0.27050425       1.00596476      -0.03708439
Li       5.07319997       2.82952995       3.33766006       0.66942375      -1.05487349       0.61029433
Li       5.64354001       0.49135497      10.92949998      -0.27080918      -0.16532298      -0.91185536
Li      11.22350001       4.90468003       5.40309001      -2.57233294      -0.72673002       1.00596892
Li       0.72102898       2.09787997       9.73751998      -0.38717118       0.67095716       0.94961445
Li       2.57072996       2.82520000       0.86016498       0.03575633       1.79651823       1.57638769
Li       7.04102999       4.54615000       0.75419797       0.80239992      -0.54609913       0.08891192
Li      11.38830001       1.48916002       2.25462996      -0.70722087       0.65990298      -0.33707093
Li       9.82232001       6.22740997       9.18872004       4.59528648       2.47551619      -5.99060893
Li       5.02759005       6.18962006       2.33679997       0.08621524       1.32074395       1.27704151
Li       9.84445000       1.20618000       6.26713002      -0.37896094      -0.36948735       0.02964195
Li       2.60113005       4.44108006       7.35976001       0.31096536       0.61183262       0.21066276
Li       1.27461000      10.28079995       0.82079999      -1.27900894       0.65057980       0.32155841
Li       6.37473001       9.17044000       8.77341995      -0.52485339       5.40850057       0.97760334
Li       1.54114002       1.19775998       5.57516995       0.17338326      -0.35373479      -0.20586761
Li       4.10836002      10.16299995       2.15170003      -0.09652019       1.11552893      -1.03598995
Li      10.06230001      11.07340003       9.79729997      -0.23829660      -0.35010935       0.36604087
Li       8.92581998       2.55297997       3.80957005      -0.51003908       0.52090327      -0.34255017
Li       4.74760995       6.44145996      10.18029997       0.16559702       0.01338873      -0.86899740
Li      10.56680003       4.60898997       0.04897698       0.04027386      -0.15679469       0.05583185
Li       1.43974998       7.35091004      10.42479999      -0.34925113       0.40761254       0.20807578
60
Lattice="11.77414789 0.0 0.0 0.0 11.77414789 0.0 0.0 0.0 11.77414789" Properties=species:S:1:pos:R:3:forces:R:3 energy=-472.48408482 stress="-0.01347227512234087 -0.0024326797179538523 0.000747726976194309 -0.0024326797179538523 -0.01485072845971215 -0.002474679082522286 0.000747726976194309 -0.002474679082522286 -0.020662719322086864" free_energy=-472.48408482 pbc="T T T" config_type=melt 
Cl       1.47013000       3.27815001       7.12755001      -0.38817818       0.54720146      -0.19171873
Cl       3.48474004       1.97486005       5.29725001       0.77445308      -2.29427085       1.17193225
Cl       5.47042005       3.27965004       0.67046095       0.53083636       0.38236101       0.49559088
Cl       8.04895997      10.30580003       7.24981994      -0.61533710       2.51241161       2.32598662
Cl       2.83970995       5.59272001      10.06300003       1.61209216       0.00493336       0.26506998
Cl       5.19111996       8.32198998       0.17909503       0.05486547       0.48619342      -0.38127343
Cl       8.60091001       7.59887998       5.10954996       0.74314439       0.64554495      -1.35112675
Cl       1.66431996       9.60593997      11.64819995      -0.69562053      -0.31479489      -0.45661562
Cl       4.27096006      10.79029997       7.14647001       1.06162269      -0.23627755       0.94288865
Cl       3.31014002       0.69995696       1.35190001      -0.08292654       0.00452435      -0.05276676
Cl       9.45725002       2.36669003      11.56839995      -0.19953197      -0.06522007       0.59375367
Cl       7.79658994       5.94144001       0.11222706      -0.67805936      -0.72871080      -0.20614702
Cl      10.18409996       4.76376996       5.99796004      -0.58795850       0.25122412       0.18709829
Cl       6.81223998       3.53215006       9.27742005       0.21718886      -0.02253969      -0.66981466
Cl       0.32103698       4.11645003      10.68710004      -2.59775280       1.89502802       4.33204804
Cl       2.96514995       2.42432001       9.80415999       0.55186774      -1.23257057      -0.93527411
Cl       7.03924002       7.52789000       8.21162995      -0.64198727      -1.28139549      -0.26301560
Cl      11.48959994       9.14543998       9.48396003      -2.40885568      -1.74680409      -0.79631333
Cl       2.20590003       8.20735994       7.85214002       1.04389904      -0.82725339      -0.95387521
Cl       5.07392998       5.44961996       6.18042001       0.03675177       0.40654241      -0.07014134
Cl       6.41673999       9.49239998       3.33673005       0.27460278       1.03699427       0.38429725
Cl       0.41435299      11.09320005       5.95532998       0.97726940      -1.03324478      -0.55671972
Cl       9.58184005       0.15045395       4.39489003      -1.12839540       1.34047993       0.15032553
Cl       8.20051998      11.00970004      10.65450001       0.32928210      -0.59598499      -0.28383627
Cl      10.54619999       9.10980999       2.45467000       0.52797006      -1.72340646      -2.86096172
Cl      10.52459996       0.74161896       8.09647996       0.05375821       0.36563823       0.25314981
Cl       3.33584004       6.54653997       2.28687002      -0.38023791      -0.82128861      -0.34942885
Cl       7.71729000       3.53535003       3.23923999       0.66367788       0.53974561       0.62554085
Cl       2.93564005       9.65007995       3.41609004       0.19422574       0.55316849       0.56982937
Cl       0.18277905       4.99254001       3.17923999      -0.33056984      -0.29002062      -0.86497784
K        6.15403002      11.36709994       0.60467997      -0.54472689      -0.07776288       0.96581027
K        8.64259002       2.44284004       6.50949002       0.00947368      -0.17254816       0.04552289
K        5.44703000       0.99079596       8.94782998       0.11874170      -0.02001010      -0.23803427
K        0.04799284       1.66184998       1.59317997      -0.10187270       0.16228683      -0.09504279
K        9.52262998       5.19252002       9.96490995       0.14572155      -0.29245375      -0.85201009
K        1.59835000      10.76989997       8.88254998       1.12549280       1.57373443      -0.46388859
K        6.13185000       1.37274001       4.10519995      -0.26126386      -0.71639847      -0.04296947
K        2.79116996       3.51467004       3.47042997      -0.22812005       1.82108375      -1.67547258
K        1.30064997       7.51842005       4.33759997      -0.24302568      -0.17566307       0.36610485
K        8.14343997       7.57129998       2.14006005       0.02205133       0.64097501       0.63282875
Li      10.59309995      10.23439995       3.93410004       0.64810964       1.05218465       2.11340828
Li       9.53973005       4.99423996       3.61786997       0.50061073      -0.28630161       0.66249146
Li       9.89144999      10.67240002       6.63586995       1.79135605       0.84474621      -0.26824586
Li       1.95694003       7.45779002       9.86384997      -0.64060558       1.26739226      -0.10774728
Li       2.90306004      11.06180005       5.68155996      -0.62840055      -0.15390173      -1.40452505
Li       7.45818998       9.16632001       9.43341997       0.40786108       0.75211315       0.27536965
Li       1.18763004       1.32927999       5.93322001       0.10242219       1.05562278       0.40779713
Li       1.52265000       5.89284999       0.61964303       0.21715023      -0.32596533       0.26142373
Li       7.75901004       3.45675995       1.07334003      -0.07765701       0.31931525      -0.89518380
Li       9.31843000       0.96878701       9.85326996      -0.13668976       0.27358385       0.12213541
Li       3.87091996       4.58814995       7.74309999      -0.68075863      -0.76436591       0.35810412
Li       4.63972001       7.32515000       7.61373001      -0.17577072       0.24274428      -0.22767605
Li       8.30512999       6.12977999       6.42944995      -0.19655291      -1.07459452       1.01030553
Li       4.93001999       8.22017998       2.51053998      -0.81859498      -0.27698028      -0.03882996
Li       3.08656002       9.90399004       1.24119005       0.92069435       0.39433234       0.83909589
Li       3.94015996       2.26916994      11.52900001      -0.22551847      -0.38055883       1.20814068
Li       5.11171004       5.88382004      11.11789998       0.28854337      -0.07283518       0.35770228
Li      11.11199995      10.05920004      11.27320005      -0.14215082      -0.08976526       0.98277867
Li       7.32909999       8.98044001       6.14394994      -1.63600767      -1.93208943      -1.78628924
Li       1.20440997       3.40659996       9.29919999       1.52739094      -1.34612865      -3.56660882
60
Lattice="11.77414789 0.0 0.0 0.0 11.77414789 0.0 0.0 0.0 11.77414789" Properties=species:S:1:pos:R:3:forces:R:3 energy=-473.09229992 stress="-0.013509782541448004 0.0010281154765430965 0.004576622105706862 0.0010281154765430965 -0.011321786839544927 -0.0037304265287653863 0.004576622105706862 -0.0037304265287653863 -0.01640324057835609" free_energy=-473.09229992 pbc="T T T" config_type=melt 
Cl      11.23270004      11.37220003       5.01316996      -0.44950380      -0.58856505       0.27561203
Cl      10.62710004       0.50160295       1.29812995      -0.38819900      -0.01819187      -0.19883624
Cl       4.23766995       7.04998004       9.49482004       0.84468159       0.35038720      -0.37314859
Cl      10.83549999       9.39285003      10.58459996       1.04083529       0.64083905      -0.93597542
Cl       5.48846994       4.81774995       5.23345002      -1.18442566      -1.45419909      -0.02463718
Cl       3.32010001      11.55130001       4.81318005       0.48412061       1.58482294      -0.08163303
Cl       2.01668994      11.66229996       0.70980804       0.26667088      -0.89384329      -0.18824425
Cl       6.82363994       5.13143998       1.51891995      -0.40762713      -0.14875711      -0.23622923
Cl       0.08188166       1.80756000       7.79378004      -0.96974955       1.10843739      -1.81523997
Cl       3.92950000       8.62039999       0.68514603       0.68934220      -0.54603506      -0.19568566
Cl       8.17859004       7.62847995      11.37380002      -0.31590444       0.46769643      -0.00552529
Cl       1.54305000       5.99419997       3.92490996       0.08356897       0.15096056       0.07237474
Cl       9.32813001       5.19238003       5.89202003       0.35447644      -0.02301877       0.95235562
Cl       0.90202701       2.47000005      10.85200004       0.98798281       0.35916813      -0.36219721
Cl       1.54518995      10.55020002       8.33178996       0.02869595      -0.46380534      -0.10175810
Cl       9.43524002       3.10566004       3.42710005       1.58817502      -0.62480363      -1.40265654
Cl      11.18350000       8.19913005       1.71918996      -0.49279181       1.28589774      -0.38308430
Cl       7.72614004       9.49424004       8.11713994       1.46762230      -0.21649363      -0.69649632
Cl       4.88819998       8.71665000       5.83167999      -0.19756484      -0.49538110      -0.67478029
Cl       0.67404501       5.22861002       7.50451996       0.16596860       0.01409742      -0.10444616
Cl       9.17607996       1.54155998       9.33751000      -2.51696863      -0.30031591      -0.94126236
Cl       1.06193995       6.17324002      11.48370003       0.58498176      -0.09541391      -0.50083052
Cl       4.95437999       1.70761997       0.60231101      -0.26138104      -0.06523221       0.44113078
Cl       5.51288999       4.01339998       9.31228000       0.86099333      -0.48454259      -1.59519226
Cl      10.03929996       4.73846002      10.12140004      -0.22981284      -0.06004176      -0.24838321
Cl       2.34755998       2.88710996       2.23081001       0.36728085       0.50923451       0.50251204
Cl       6.83214005       1.69560999       4.51959003      -0.44887822      -1.08052315       0.13414393
Cl       7.80609003      10.88869994      11.48250001      -0.54258564      -0.34491929      -0.00351227
Cl       5.11408995      10.80560001       8.18426000      -0.79884410       0.74364763       0.62291706
Cl       8.37691002       9.18148994       4.66819002       0.13952240      -0.13372271      -0.43152543
K        0.55076096       2.07311001       4.54506999       0.05330849       0.50174013      -0.29603940
K        6.38303002       1.32249996      10.04100003       0.10293024      -0.62972387      -0.42430518
K        7.50723002       1.13034999       1.49331000       1.19134266       0.81511810       1.00251246
K        7.30632997       6.27651001       4.26584996       0.91383363       2.01209866      -1.19080503
K        5.15555002       1.40353000       6.84110995      -0.39964928       0.90758485      -0.28327750
K        2.95658002       9.92871999       2.69757997      -0.87429697      -0.68592297       0.75030882
K        3.59707000       5.39352003       7.05650998      -0.57962824       0.49758465       0.64625354
K       10.99280001       4.06742001       1.23430005       0.35386240      -0.00682217      -0.07435679
K        4.21969000       4.58199996      11.47500000      -0.80483414       0.65879264       1.68050609
K       10.62840002       9.31272000       6.95889005       0.10014010      -0.33961067       0.23339950
Li       0.18109805      10.39540000       0.53614301      -0.56505255       0.31701667       0.11133290
Li       2.66072006      10.25379998       6.39823998       0.39009546      -0.36855630       0.61849827
Li       8.12452999       3.76178998       4.72026001      -1.27739275      -0.16800352       1.02348531
Li       8.81557003       9.59396001       9.97153998      -0.56905653      -0.04279677       0.69689191
Li       2.81279001       8.10569005      10.72719996      -1.13070466      -0.11994654      -0.17467880
Li       1.32227001       0.84597406       9.00561997       0.86341744      -0.80748740       1.20802310
Li       9.66560005       1.04610996       7.40077994       0.71818506      -0.48044263      -1.03484497
Li      11.29090001       6.99262004       3.29326001       0.60621293      -1.08518657       1.40792041
Li       6.98191004      10.61860005       5.61761998      -0.43509230      -0.35283514       0.30887351
Li       5.77275003       8.63030005       7.86618999      -0.68297827      -0.03646440       0.04776973
Li       7.51634003       5.97776997      10.30830003       0.05305433      -1.28266447      -0.19403003
Li      10.81400004       7.30535000      11.08659994      -0.13131638      -0.65440706       0.27451263
Li       9.24016994       9.81082003       2.69044001       0.65284736       0.19374956      -0.43781698
Li      10.58070001       3.82058995       7.75188998      -0.20402719       0.77759383      -0.12550006
Li      10.64730000       1.85812997      10.53450002       1.15655465      -0.01248965       1.75062991
Li       5.57253995       8.22223999      11.14630005       0.85062657       0.07551836      -0.11205773
Li       4.43249995       0.85697606       2.83125999      -0.38561964       0.80989445       0.12663634
Li       3.71709001       5.18649001       3.66535005      -0.16652729      -0.24324395      -0.22809655
Li       2.78315000       1.82335997       0.24601705      -0.42405590       0.08403261       0.39527704
Li       0.65096202       4.37923995       9.50781999      -0.12686149       0.48849604       0.79321118
60
Lattice="11.77414789 0.0 0.0 0.0 11.77414789 0.0 0.0 0.0 11.77414789" Properties=species:S:1:pos:R:3:forces:R:3 energy=-473.70261315 stress="-0.012633702281770309 -0.0004832679618139639 -0.004364148265069978 -0.0004832679618139639 -0.013746588574612162 -0.0011819065922048437 -0.004364148265069978 -0.0011819065922048437 -0.01293061540846571" free_energy=-473.70261315 pbc="T T T" config_type=melt 
Cl       7.51830996       8.88482004       0.86367602       0.91830881       0.07055527       0.86543128
Cl       2.09636996       2.80594004       8.87289000       0.26243891      -0.20166918      -0.01554243
Cl       2.32960005      11.72280001       3.47390005       0.83085236       0.61962313      -1.53579093
Cl       4.13017999       9.34799994       0.16788498       0.04840740      -0.08164677      -0.03725122
Cl       5.55160999       1.06460997       6.03145997       0.08702114      -0.51499152       0.29662818
Cl       7.42543996       6.34174997       4.03931995       0.89387462      -1.20025093      -1.46173246
Cl       6.66491996       0.83244497      10.05110001      -0.75486658       0.60090064      -0.02233775
Cl       5.30670995       2.97493003       2.01190999      -3.11434214       0.12222883      -4.36280875
Cl       1.71737003       6.79293002       8.41957000      -0.42450619      -0.91678804      -0.04264127
Cl       8.62101001       6.38492000       7.42105997       1.43860049       0.88659844      -0.71435831
Cl       9.10092004       1.95663002       5.28715003      -1.15786786       0.90809297       0.59827045
Cl      11.18850001       8.96879997       7.52872996       0.17581321       0.22084267       0.30528508
Cl       5.37435996       7.86080002       7.84547997      -1.06636733      -0.66169941      -0.39748256
Cl       7.21245998       4.00447000       8.35167002      -0.31483192      -0.92504418      -0.15568762
Cl      10.56050004       3.54600999       8.65516999      -0.47543267       0.26405649       0.27895157
Cl       3.21427997      10.06450005       7.15490995      -0.04384583       0.33687536       0.02244587
Cl       0.06815206       4.76309000       5.85087998      -2.39215793       0.89374263      -1.97589273
Cl       4.12880995       4.64249000       6.22893998      -1.06793821      -0.46203088      -2.99562450
Cl       0.54014304       0.92030402       6.39037002      -0.25177318       0.92171512       0.02679879
Cl       5.03670001       5.07259997      10.39959996      -1.02497846       1.55781255       0.25744973
Cl       0.38642600       9.45455999      11.23439999       1.22908315       1.14564531       0.84916966
Cl      10.02289999       0.25103202       9.96048994      -0.40409488      -0.85903717       0.11469232
Cl       1.23266003       5.53818004       2.45983002       0.44104696      -0.04608340       0.42455931
Cl       7.32639994       9.40106002       5.43717999      -0.53238736       0.30878059       0.00808093
Cl      10.72659995       6.75676997       0.65183602       0.95204183      -0.81162644      -2.57809760
Cl       8.34296998       1.27748998       1.74528006       1.33914988      -0.80567065       3.65215292
Cl      10.81250001       8.54880999       3.69699001       0.30329261       0.34869706       0.29050382
Cl       8.01417996       4.74028995       0.51110104       0.46082881      -0.49673654      -0.68312856
Cl       0.47835996       2.53890001       0.39414396      -0.23962870      -0.38729994       0.31343370
Cl       7.58624997       9.72739996       9.16873995       1.15070827      -0.79513032      -1.44864404
K        5.78132997      10.74819998       3.09454996       0.11426533       0.10434184      -0.07745364
K        6.57725000       2.90191995       3.90371002       2.72358413       0.29285873       4.13076244
K        1.81010004       8.30160999       1.90184997      -0.14399537       0.13121503       0.04522687
K        1.55867995       5.22159004      11.26190005       0.11200458      -0.26516693      -0.61272618
K        2.07106002      11.61419998      11.62540002       0.64230796       0.75319528      -0.10452763
K        5.91793999       6.46738001       1.09738002      -0.44273367      -0.02059742       0.36095594
K        0.94171401      10.38129999       5.17360003      -0.60980838      -2.09651822       0.95709292
K       10.11200003       4.26725002       2.44462994       0.19312978      -0.09922507      -0.01035809
K        2.50922998       2.99769005       2.67789995       0.11205710      -0.31439236       0.24293106
K       10.24029997      10.77299998       1.42937002      -0.30810807      -0.00553832      -0.29927193
Li       6.33763997       7.10797996       5.53996995      -0.45808990       0.90933749       1.27481830
Li      10.27329997       7.41133994       6.35226994      -0.06812794       0.13130037      -0.57021795
Li      10.93240005       8.23533002      10.36640004      -1.18058455      -1.44951632      -0.95392991
Li       9.74598004       7.58626999       2.08063004      -1.87942070       0.83734366       1.44931437
Li       1.76242004       5.67141995       6.25215000       2.18499542       0.83382722       0.82319587
Li       8.89123000       4.93312000      10.17980005       0.02108208      -0.61699085      -0.24845472
Li      11.30669997       1.82963005      10.14590004       0.85578715       1.25519294      -0.26711496
Li       4.62474000       5.15552000       7.97668001       0.66953101       0.94709642       2.75243699
Li       5.58612001      10.23559997       6.98045005       0.51966591      -0.19363229      -0.03054135
Li       5.47567003       3.19809005       9.79066999       0.58444472      -1.72242498      -0.27079868
Li       9.77901005      10.36050001       8.39880994      -0.57890215       0.32860215       0.25086107
Li       3.14648996       8.21548999       8.87282995       0.82536729       0.81003586      -0.10615965
Li       6.66215998       9.88766001      10.95619996      -1.01044726       0.62128768       0.67102190
Li      10.83779995       1.20558997       4.66540002       1.29544180      -0.42812787       0.05480326
Li       7.79585995       1.57477003       0.00775210      -1.01344982       0.83485690      -3.26502891
Li       9.24862001       4.49109000       6.68949001       0.30703935      -0.97853878       0.24891405
Li       7.11767998       7.00482995       8.59788005      -0.52141285       0.53416709       1.15278519
Li       3.42275998       0.50308297       6.68413996      -0.29521399       0.43631817       0.10636115
Li       7.89210996       1.65945005       7.32711004      -0.49073282       0.14428393       0.40334110
Li       0.45167798       3.15640003       6.91702000       0.57387464      -1.75505306       2.01492826
60
Lattice="11.77414789 0.0 0.0 0.0 11.77414789 0.0 0.0 0.0 11.77414789" Properties=species:S:1:pos:R:3:forces:R:3 energy=-470.95795346 stress="-0.020301576535150502 0.001047894875136603 0.004108751079336684 0.001047894875136603 -0.023458192649967298 -0.002537286231258431 0.004108751079336684 -0.002537286231258431 -0.023680208466065267" free_energy=-470.95795346 pbc="T T T" config_type=melt 
Cl       8.36387004       6.05557001       9.66414005      -0.98621391      -0.27659040      -0.53396703
Cl       1.93654002       7.44750000       2.65093998       0.05740911      -0.67440417       0.81403698
Cl       1.70090000       4.70860996       6.70031999       1.40008247      -0.11350653      -0.43152299
Cl       6.94172005       8.57073004       7.56081004      -0.31332047      -0.42261953      -0.02134193
Cl       5.24364997       3.28744005      10.24930001      -0.41999220      -1.69478045      -0.40306370
Cl       0.67468905       6.19525002      10.07050004       0.83033141      -0.55940781      -0.35827401
Cl      11.63290003       5.74414003       4.30647995      -0.26087850       0.57977237      -0.53343440
Cl       8.64713001       2.31693001      10.37240003       0.23719537       0.74254527       0.11704287
Cl      11.07200000      10.21139997       2.72382996       1.33423351       0.22586128       0.75978390
Cl      10.03790002       2.69840004       3.85914004      -0.44606933      -0.59887444      -0.56763588
Cl       2.94013001       0.31312098       8.39559995       1.77242493       1.16820839       0.56348856
Cl       5.87673000       8.56585001       3.71334995       1.36890966      -0.45656790      -1.43999441
Cl       9.59625997       4.15641997       7.07536004      -0.53262566      -0.03853851       0.19333912
Cl       5.53214002       4.82313003       2.01758996      -1.34892173       0.85590294       0.19866242
Cl       5.33018995       1.36796995       1.90401005      -0.06687634       2.36438741      -2.00918136
Cl       0.26640999       9.93632998       8.15354996      -1.32262526       0.29810168      -0.41627713
Cl       9.74376002       8.53867999       5.33606996      -0.34044026      -0.05672198      -0.19941715
Cl      10.02940002       4.92178998       0.09225139       0.09771390       3.00045105      10.21114227
Cl       7.19276996      11.59319996       4.10535996       1.33183771      -0.52642462       0.78307176
Cl       4.62225000       6.97998002      10.38960005       1.69382741      -0.47496869      -1.50515633
Cl      10.24710001      11.42979998      10.87829996       0.04617097       0.17675645      -0.91466822
Cl       1.59778001      10.31060000      11.56980002       0.77637657       0.02983037       0.13653507
Cl       3.28970999       8.12317996       6.33710001      -0.43583115      -0.23655584       0.86947964
Cl       1.84841005       4.00736997       2.29975000       1.02008707      -0.49201411      -0.21652664
Cl       3.40093000      11.00560004       4.20288005      -0.23904037       0.21475510      -0.15538174
Cl       8.57682999       9.45332994       0.96378700      -0.42053769      -1.03360438       0.67065963
Cl       7.70342994       5.77243001       4.36041002       0.72452500      -0.51820648       0.54245826
Cl       7.79806995       0.29701395       7.93797003       1.39647965      -1.61184149      -1.22836903
Cl       0.28198896       2.43387002       9.20873002       0.66192085       2.07138702       0.29515537
Cl       5.89923005       2.88712997       4.88320998       0.62307076      -0.96899707       1.28108681
K       10.37029999       7.86641994      10.01259996       0.13857655       1.28033233       0.00884106
K        3.04166001       4.65112998      11.10620001      -0.77450735       0.15025954       0.36527073
K        7.85632997       9.74426996      10.06479994      -0.32278398       0.27122934      -0.15405723
K        9.77487003      11.38790003       6.11737004       0.41061064      -0.28201136      -0.49249015
K        2.66568003       1.42864002      11.38049998      -0.00476055      -0.33036000       0.03439040
K       10.23629994       6.95468998       2.08510999       0.02588388       0.85265905       0.36142874
K        2.75091003       7.68499999       0.16174500      -1.06907909       0.70349885       0.11813646
K        5.62743997      11.03409995       6.90140996      -1.28485084      -0.25267080      -0.89071941
K        1.62241000       1.78848000       6.59416004      -0.28712142       0.47156282      -0.90945105
K        7.54335004       3.69280995       0.77096202       0.58923514      -0.71160949      -0.04946430
Li       4.43497994       9.11600001       4.89099999      -1.22621343       0.45245564       0.43453101
Li       6.62482003       4.72915997      10.12539995       0.92897993       1.41569458      -0.53575644
Li       7.17170000       1.62580001       9.07872000      -1.26904979       2.30457231       1.88471457
Li       2.24303004      10.26810003       8.54935996      -0.06923830      -1.69085380       0.29642673
Li       8.07268994       7.07201995       6.23011998       0.26705991       0.69319701      -0.13963094
Li      11.61142587       5.08924002       7.52771998      -0.32724790       0.21533233       0.62563643
Li       1.75002998       9.48814998       2.76264002      -0.33278899       1.42797446       0.42219520
Li      10.16130003       4.35017005      10.34600003       0.53690313      -3.61229825      -9.07294614
Li       6.57957999       6.72491995       2.70414994      -0.42689347       0.12925205       0.07916471
Li      11.40189996      10.61849997       0.66694296      -0.25762433       0.09931573      -0.17199164
Li       4.00334003       7.17933000       8.21281996       0.18467067      -0.04486056      -0.12819837
Li      10.18710002       4.58109005       5.02535997      -1.27189761      -0.61574254       0.25041594
Li       9.02761996       9.77587001       3.31504996      -0.77637735      -0.17333752       0.11411623
Li       4.45453998       3.36270005       3.61681996      -1.03127502       0.40266310      -1.77142943
Li      11.48769994       3.95669004       2.53909005      -0.36263867      -0.01957390       0.13054354
Li      11.52379995       0.56380095       9.02458000      -0.81108135      -2.45666809       0.69725008
Li       5.38147002      11.59610005       3.00971004      -0.65756287      -2.40149559       1.34097143
Li       1.98061996       5.81782006       4.32132998       0.40807360       0.03058513       0.18433799
Li       7.25365996       3.99735994       6.01872999       0.92128699       0.54101781       0.06174734
Li       7.60299999       1.64040996       3.00622995      -0.08751162       0.17654487       0.40428579
60
Lattice="11.77414789 0.0 0.0 0.0 11.77414789 0.0 0.0 0.0 11.77414789" Properties=species:S:1:pos:R:3:forces:R:3 energy=-470.55062914 stress="-0.013137875841359925 -0.002180737513355681 -0.0018185683414511102 -0.002180737513355681 -0.02505604276010167 0.0005228724655723051 -0.0018185683414511102 0.0005228724655723051 -0.018401366651623532" free_energy=-470.55062914 pbc="T T T" config_type=melt 
Cl       8.28464003       6.25752996      10.90480003       0.36911411      -0.89299326       0.23793788
Cl      10.77910005       8.27481003       8.65636000       0.43963451       0.25208171      -1.62849455
Cl       6.82294998       8.67893999       9.31108999      -0.40850941       0.20498979      -0.52462970
Cl       1.06501995       7.37469997      11.49440002      -0.08342980      -0.25233628      -0.91652453
Cl       8.76097001      11.12739995       3.15009002       1.07688278       0.71520401      -1.46004026
Cl       4.74256001       4.79985996       8.42188998      -0.28649260      -0.72152596       0.27337831
Cl      10.18420004       3.26016995       2.27365001       0.57835391       0.27541146       0.34575363
Cl       2.60332003      10.47790004      10.90119997      -0.81646318       1.12773479      -0.86109121
Cl       0.78011501       4.36023000       8.36272995      -0.08476620      -0.65443375      -0.06957344
Cl       0.57291402       7.86844003       2.58476997       1.80450770      -2.03691362       2.84834195
Cl      10.71350003       1.62112002       5.98536995       0.54394550      -0.48175252      -0.58661785
Cl       1.94657996       0.44775601       2.63619003       0.18585863       0.17648586       0.94599097
Cl       2.65429997       6.98614002       6.62740999       0.01224238       0.45967543      -0.66891262
Cl      10.16459997       0.33986302      11.42970002       1.27471089       1.66654104       0.46716338
Cl       9.18093997       3.38662006       9.21962005       0.63668676       0.03432202       0.39091476
Cl       4.50668003      11.00259999       7.80656995      -0.94533656       0.62026077      -1.69749897
Cl       4.63733998       6.72530002       0.51886798      -1.02553802      -0.13628832       0.94004851
Cl       9.72463998       4.90316998       5.33324005       0.89595566       1.00410256       1.05411810
Cl       9.03785994       8.66155994       5.00415002       2.10926328      -0.27389519       2.75403928
Cl       8.93314997       7.93625995       1.42166996       0.42427060       0.51703623       1.12637194
Cl       4.31341999       3.14993001       1.72631002      -0.59854243      -0.82113956       0.04581429
Cl       6.03098994       7.14607004       5.82120995      -0.23757487       0.12633569       0.18213974
Cl       7.73859002       2.43318995       0.52867396      -2.79273960       5.25757137      -0.12631610
Cl       6.71190999      11.28890005       5.11259004      -3.47183401      -4.15880473       0.15424019
Cl       2.08817998       4.50386000       4.59370005      -0.23238880      -1.12517110      -0.49232882
Cl       7.12335994       5.13348998       3.45920003       0.51166448       0.05237618      -0.23740756
Cl       7.02857005       2.07229995       5.78118997       0.40032400       2.71252050       0.43962255
Cl       5.64558994      11.08279995      11.56559994       1.31714305       0.52745063       1.80292820
Cl       9.17033994      11.02709999       8.24864999      -0.48535732       2.16597891       0.21946467
Cl       1.59889997       1.95533003      11.52819995       1.16328307       3.36336122      -2.96209297
K        4.94651003       0.80137205       3.42846997       0.01465313      -0.04420857      -0.41070705
K        3.04070996       4.31274003      11.26899997      -0.18435210       0.94144230      -1.02777050
K        7.46704002       5.81839004       8.29890994       0.14406049       0.23261480      -0.68057907
K        0.41539300       0.63718403       8.70856999      -0.85514657      -0.11976915       0.64462019
K       11.77309999       7.51481998       5.87981000      -0.24524664      -0.47137110      -0.39809604
K        2.74750000       2.04220005       7.42611002       0.39975185       0.75417248      -0.28787350
K        3.03769001       6.97941004       3.41786994       0.78682231       0.00208756       0.24956623
K        2.50610995       8.29591001       9.01266997       0.05954817      -0.10532920       0.24915550
K        6.66356004       2.44359005       8.81528004      -0.48688314      -0.68241640       0.02005190
K        9.69099995       9.72171999      10.77089995      -1.20125553      -1.86895440       0.01982224
Li       8.86122005       5.14088002       1.68920003      -0.14245235       0.53446556      -0.22524551
Li       0.93991198       0.63246602       0.76392602      -1.75374173      -3.30940351       2.05821866
Li       4.89674000      10.91189996       9.73705005      -0.20708579      -0.60377163       0.79387936
Li       6.20139000       7.39254004      11.15320005       1.45692441       0.57855195      -0.71127309
Li       6.36103002       9.88663000       7.00071995      -0.17826076      -0.25029281      -0.02261727
Li      11.29819998       3.40788005       4.32464005       0.39977485       0.04433129       0.28220093
Li       8.13153996       8.99991999       3.37121005      -1.14906424       1.07780416      -2.85874906
Li       5.78510994       4.47255996       1.99190995       0.73093783       0.83323984      -0.50310777
Li      10.27839994       3.18177002       7.35663996       0.26248665       0.97080068       0.20063565
Li       8.35870001       0.21344199       5.71771001       2.53292813       1.33471417       0.55189526
Li       8.20656000       0.73563098       0.58310302       0.64811400      -5.51357912       0.77162656
Li      11.31070000       9.12563998       1.76582995      -2.64160124       2.16580437      -1.38087110
Li       8.06095995       6.83875995       4.94458002      -0.50897746      -1.45183028      -0.06391997
Li      10.80199995       6.81368996      10.10200001       0.14968773      -1.18487573       1.00316156
Li       3.00004005       8.95320005       0.41135906       0.02871582      -1.11979889       0.55696888
Li       9.76962994       2.59705006      11.73650005       0.75066146       0.29787813      -0.51888679
Li       4.15914003       5.44225994       6.31603005       0.27641460       0.21070242       0.04977206
Li       8.69822004       3.41884001       4.31277006      -1.25957877      -0.95050479      -0.37940606
Li       9.36636997       9.55208996       6.98311995       0.34064195      -1.51481312      -0.37484344
Li       2.29688005       3.05306999       2.54209999      -0.44334555      -0.49187693       0.39563147
60
Lattice="11.77414789 0.0 0.0 0.0 11.77414789 0.0 0.0 0.0 11.77414789" Properties=species:S:1:pos:R:3:forces:R:3 energy=-471.31688667 stress="-0.016510838815505455 -0.004689428464040662 -0.0007038237079236252 -0.004689428464040662 -0.013324796338209056 -0.003078360385471929 -0.0007038237079236252 -0.003078360385471929 -0.02199966819038981" free_energy=-471.31688667 pbc="T T T" config_type=melt 
Cl       5.64310995       4.32840000       8.29569996      -0.84065036       0.94309455      -0.93686250
Cl       6.09932003       0.15387905       8.61548005      -0.25727448       0.16719734       0.38386401
Cl       7.36750997       4.80024003      10.85719998       1.69672635       0.34383495       0.77331890
Cl       9.44937995       0.96351502       5.14208004      -0.11788432       1.28183146      -0.02030816
Cl       2.20695005       0.15220005       8.90900002      -0.32144440      -0.29192720       0.23424534
Cl       5.47536002       7.45846997       1.83757996       0.43998007      -0.41134660       0.09542331
Cl       3.03675997       8.77328000       7.39123005      -0.32437719      -0.41612802       0.58953629
Cl       9.59386005       4.49923005       5.47083003       0.18577801       0.91541123       1.27383570
Cl       4.11688003      10.27310004       3.18378999      -0.25567973       1.23549779       3.67879782
Cl       0.73144303       7.82439000      10.58179995      -0.33294282      -0.78487609      -0.45709889
Cl       5.48448004       7.78680998       5.83598003       0.05459633      -1.93119743      -2.74621015
Cl       8.98061003       9.27703998       4.95147001      -0.44256187      -0.14681561       0.30232602
Cl       7.62668004       1.70821999       0.53046798      -1.59990285      -4.38732778      -0.12920597
Cl       0.39377201       9.56863005       5.52121997      -0.66075072      -1.93617954       0.51365953
Cl       6.70172995       3.62326995       2.86048001       0.60047782       0.00910354      -0.32980277
Cl       9.76442000       7.15108995       8.95760005      -0.08384060      -0.04736669       0.72646362
Cl       8.91861996       8.64898998       1.42717002      -0.16285510      -0.68103375      -0.15984521
Cl       1.81555995       5.55479996       2.60593000      -0.57722971      -0.09264655      -0.08438981
Cl       1.52051004       5.42641006       6.94932002      -2.19313831      -1.22856258      -0.96766911
Cl       0.69685801       9.74579000       1.64146999       0.22727145       0.32389160       0.59970283
Cl       1.39160997       0.29532801       4.47588004       0.14280491       0.99530695       0.73415717
Cl       6.25837994       0.29637897       4.69571998       0.09915274      -0.08220076       0.16419022
Cl       3.89694000       4.85412995      11.35909999      -0.06395927       0.57971062      -0.55541591
Cl      10.46250004       3.78584998       2.47656002      -1.01317472       0.11415849      -0.68933144
Cl       0.11971000       3.82119997      10.73289994      -0.26167636      -0.07156186       0.20495986
Cl       2.04524002       2.25301004       2.03913006       0.53426924       0.17797673       0.28236777
Cl       9.18323005       0.67663402       8.87780994       1.98978919       0.45369039       0.28938266
Cl       3.75527004       0.37988405       0.46672298       0.82530283      -0.54468217      -0.16449726
Cl       4.10884005       2.90732005       4.86794998      -2.31146421      -0.69572739      -0.31492687
Cl       4.27946005       8.63781996      10.73180000      -0.01303433       0.27840740       0.16269654
K       11.64029997       9.89051995       8.79529000       0.10683848       0.04166223      -0.49570169
K       11.05389995       7.01683004       3.07230000      -0.33100200       0.43986374       0.01910159
K        5.99904998       9.19042005       7.76734002       0.40125831       0.97799776       1.99456463
K        2.68164001       7.13162999       4.60108997       0.64983318       1.09767036       0.77091484
K        5.30256003       2.67207999      10.34250005      -0.10150990      -1.14856363       0.80577033
K        3.52323997       1.73718003       6.99451003      -0.16904722      -0.97588707       1.73825920
K       11.10810000       3.23967999       7.98279998      -0.22010942      -0.24380885       0.01949276
K        9.90723005      11.08160005       1.57010005       0.17658229       1.15617502       0.47081331
K        6.50352005       3.16435005       5.99420998       1.65611255      -0.30302858       0.21955694
K        0.55982894       3.17659999       4.56607001       0.45718527       0.05364417       0.05552977
Li       3.10962004       6.07895994       7.82721003       2.24621135       1.19480774       1.22603873
Li       8.68063995       3.43731000       3.84551994       0.19903284      -0.48285178      -0.38349468
Li       0.04744004       5.91580004       9.93998997      -0.26120830      -0.03291460      -0.05883146
Li      10.94370005      11.30609996       5.13888996       0.57453807      -0.73048933      -0.35071736
Li       4.35205003       9.40746999       1.58857003       0.79120046      -2.07199941      -3.67047558
Li       2.34638999      11.35629998       2.58484003      -0.51866857       0.44059153      -0.56498503
Li       4.92297999       4.10113999       3.72102999       0.56951832       2.60868531      -1.75380794
Li       0.34535201       3.15308996       1.31507000      -0.01272809       0.50378769      -1.15041767
Li       7.86631998       0.03775216      10.32539998      -1.16939308       0.24908516       0.53852047
Li       8.28197001       6.92778004       0.42309105      -0.46724773      -0.66055069      -0.32973782
Li       3.18623996       4.39332995       1.47119002      -0.38083375      -0.61658979       0.00728497
Li       6.39167001       9.23386995       4.19030997       0.15898187      -0.07010179       0.07348999
Li       2.29542994      10.34149995       6.08783000       0.21164083       0.39287266      -0.10332598
Li       9.79328997       6.77246997       6.95013998      -0.22784945      -0.12119400      -1.37687386
Li       3.97300995      10.82639998      10.44629999      -0.10498673       0.40278325      -0.60840230
Li       8.59100995       3.25482001       0.35053499       1.91718388       3.47175789      -0.26638216
Li       5.35372000       1.02954998       2.63829996      -0.03869519      -0.18066496       0.12800311
Li       5.79712004       6.17751003      11.02230002      -1.48437065       0.47066068       0.36608541
Li       8.51339995       0.12781403       6.99360000      -0.84968607      -0.39257185      -1.09138204
Li       1.73694997       9.13888001      11.67049995       1.25891085       0.45963809       0.31774597
60
Lattice="11.77414789 0.0 0.0 0.0 11.77414789 0.0 0.0 0.0 11.77414789" Properties=species:S:1:pos:R:3:forces:R:3 energy=-466.79992228 stress="-0.027685202520213933 0.0008761769468955667 0.003017089475183035 0.0008761769468955667 -0.008694839944078155 -0.005103267245228798 0.003017089475183035 -0.005103267245228798 -0.02938341471147748" free_energy=-466.79992228 pbc="T T T" config_type=melt 
Cl       1.52306998      10.87060002      10.85059998      -1.11359889       0.43981009      -0.46309228
Cl       7.79128004       0.87636396       8.30735001       0.81980195       0.16299853       0.28808143
Cl      10.87959994      11.53919995       6.64167002       0.86080898      -0.02094704      -0.13638271
Cl       3.20705995      10.11619998       6.15305995       2.84172735      -3.22541034       0.21838122
Cl       5.07060002      10.85550002      11.15969997       2.72365930      -0.07259923      -1.38952471
Cl       6.87955996       6.05880001       3.77411998       0.15494176       0.26931619       0.79552447
Cl       2.14731999       1.30016005       8.21099003       0.66479117       0.02470437      -1.73090409
Cl       6.76849996      11.20689994       4.41772999       1.45848742      -0.38551063       1.47097391
Cl       8.74886996       3.28378995      10.47209998      -1.87317560      -0.28693859      -0.49120885
Cl       5.20989996       6.70093001       0.09035210       0.37388213       0.81881129       0.68838649
Cl      10.70220003       6.99145004      10.41630005      -1.13147655      -0.77679594      -0.90749152
Cl       3.12051996       0.24556198       1.70577002       0.14604121       2.16872280       2.29003742
Cl       4.36472996       6.14744003       6.77390006       3.29040963      -1.14502136       2.40138761
Cl       5.71069003       2.55410997       4.72909003       1.82750431      -0.61276417      -0.98032798
Cl       6.83021004       8.24415003       9.42788000       0.20253448      -0.39075274      -3.97359770
Cl       1.21185994       6.34807999       6.30873997      -3.68763729      -0.25780226       0.61363261
Cl       3.77305995       8.80002003       3.00212996       0.18019264       0.13796435       0.18780563
Cl       9.40860996       0.15399997       0.30192094       1.30887787      -1.10892894      -0.51263227
Cl       9.27962005       7.34252005       1.81262995       0.04494816      -0.39689203      -1.58715174
Cl       1.85059004       7.45138994      10.48070005      -0.65315439      -1.69155145       0.28264909
Cl       1.75267999       1.01772002       4.37761994      -0.45367214       0.01074743       1.33608825
Cl       4.27242005       3.90909999       0.93544804      -0.53950039       0.33693294       1.18450825
Cl       4.82813004       2.49415001       9.25054002       0.52380832       0.34197354       0.40648259
Cl       9.92992001       2.72543996       4.05384995      -0.96149682      -0.39320225      -1.18178179
Cl      10.75109995       3.45191995       7.07992005      -0.04577500       1.43988042       1.96388451
Cl      11.72710004       3.00254005       0.29228698       0.73832212      -0.05400999      -1.37355287
Cl       0.95225199       7.55412998       1.88229005       0.45028406       1.67504243      -3.07265479
Cl       7.05043005       1.44490000       1.25750996      -3.78693494       0.86430386      -3.48305932
Cl       1.25339996       4.55928998       3.23272994       0.05420408      -0.68165659       0.05372031
Cl       9.76779000       8.72537005       4.51172996       2.38813325       0.99024615       1.92823891
K        7.81980998       4.50906995       1.62991001       0.42269624      -0.11301661      -0.43357077
K        3.10663000       9.01306994       9.10784995       1.80509998       1.37091210      -1.44152365
K        8.02634996       3.87655000       7.26488002      -0.94947212      -0.37634119      -0.11095187
K        1.08154002       4.75246996       8.80518994       0.35794609       0.36843194       0.08727200
K        0.13289905       0.63884595       1.99697001      -0.22276250      -0.98413560      -0.24647105
K       10.77890001      10.41670002       9.36062995      -0.48878161      -0.17081238       0.30400141
K        5.90433002       5.31198006       9.56537002      -0.18141395      -0.07928035      -0.24996508
K        3.62221004       3.50099001       5.70819002      -1.84665448       0.61942729       1.09609159
K        9.68757002       7.21092004       6.81454995       0.16688510      -0.13241349       0.33540695
K        5.46629004      11.34810000       7.86799002      -0.56399714      -0.15429782      -0.14735838
Li       2.82899006       2.27812995       2.97287002       0.50337096       0.47964688      -0.78509571
Li       2.95366003      10.56229996       4.16866002       0.08286057       0.09822372      -1.61813389
Li       5.89211999      11.56089994       2.72038002      -1.48382410       0.18692079      -1.83060532
Li       5.01901995       2.36568004      11.60289997       0.17841578      -1.02893180      -0.71225433
Li       2.25657997       6.49050997       0.47773099       0.80477640      -0.41810845       0.82303078
Li       8.27589996       8.30345006       3.42290998      -2.38335170      -0.66046705      -1.03994954
Li       2.94556001       6.72465998       5.77778995       0.45548352       2.13101466      -2.85629449
Li      11.25030004       2.20520995       5.68010997       1.33856818      -1.71449304      -1.14359240
Li      10.34019997       4.31903002      10.93789999       1.12057655       1.50513469       0.28378657
Li      11.15520001       8.16885000       0.44818000      -0.27981617      -0.26713530       0.40818536
Li       7.53340995       0.67619897      10.95100002       0.14312481       0.07118482      -0.53491490
Li       7.90792005       1.40789997       2.81694004       2.35440668      -0.29628340       4.90684861
Li       3.34026006      10.84960000       0.23014197      -1.24369184      -1.69384529      -0.57498356
Li       5.51774000       5.70377001       2.17209998      -1.26394642       0.48266744      -0.32456415
Li       8.98245998       0.67554904       6.47358004      -0.64744635      -0.19130957      -0.26384610
Li       0.60875300       6.93051000       3.57142002      -0.81184440      -1.53108379       3.50756467
Li      11.09670004       3.34953997       2.21736004       0.32052575       1.02260276       1.33027900
Li       2.00219997      11.31700000       6.75817003      -3.33381169       3.37124984       1.08180098
Li       0.91147706       1.38733996       9.71883003      -0.88703904      -0.37756115       1.85255197
Li       6.98881005       8.59099005      11.23710004      -0.27382132       0.30142852       3.47083524
60
Lattice="11.77414789 0.0 0.0 0.0 11.77414789 0.0 0.0 0.0 11.77414789" Properties=species:S:1:pos:R:3:forces:R:3 energy=-471.78585413 stress="-0.013064119491113723 -0.003611142663604145 0.004786297909010158 -0.003611142663604145 -0.02639075525823576 0.0004680709918395534 0.004786297909010158 0.0004680709918395534 -0.023027577697131756" free_energy=-471.78585413 pbc="T T T" config_type=melt 
Cl       6.83093003       8.31800997       6.52232996      -0.75457642       0.21358041      -0.77487097
Cl       4.68719997       4.67727001       0.53315214       2.09157360       1.17582200      -1.92381806
Cl       3.01858998       8.44196996       1.85651997      -0.58103771       0.75939274      -1.83052037
Cl       9.84238005       0.05955211       5.57328996      -1.56215253      -1.61262471       0.02864356
Cl       9.38172004       9.19393004       3.52131996      -0.81383476      -0.57167005       0.67602524
Cl       5.99189000       6.56922004       2.57563006       0.60592280       1.32899114       0.71714616
Cl       6.11129999       0.85798698       3.66642997       0.08896414      -0.34143160      -0.32028456
Cl       3.93324994       4.93903004       3.99136996      -0.99417901       0.06487195       1.64528916
Cl       9.78580998       9.26963004       7.68206999      -0.28270878       0.67435433       1.18060885
Cl       3.80369005      10.73529999       8.85667994       1.60884726       3.40670166      -4.84164762
Cl       8.48401003      11.66357086      10.38240005      -0.00744141       0.05031365      -0.27779985
Cl       1.76912000       4.22113999      11.53949995      -0.42259186      -0.57293676      -0.26139140
Cl       7.89737006       3.60530001      10.04610000      -0.84368672       0.87793933       0.22957957
Cl      10.97210000       2.30074997       8.25072000      -0.80072678      -0.10670113       0.18247126
Cl      10.68829994      10.87650004       1.15571998       0.19785377      -0.24751042      -0.64843854
Cl       6.18980000      10.38530002       0.63337604       1.48432711      -1.80194719      -0.27947506
Cl      11.35639995       6.72684997       5.60977004       2.87050325      -2.26863438      -0.85695163
Cl       2.17172003      11.10180001      11.41430002      -0.82580292      -0.38504884      -0.02623142
Cl       0.90574505       7.34844998      10.67689998       0.23208117       0.42175685      -0.16838760
Cl       6.83132999      11.61592595       7.45359995      -0.21718321       0.25907431       0.00890665
Cl       0.63629002       6.15897999       2.13940000      -0.39976351       0.75106005       0.07507393
Cl       4.87934994       7.50323999      10.15179994      -0.64753492      -0.35925234       0.53878254
Cl       4.99533001       1.89424999      10.81940002      -2.38931654      -0.45175564       0.72376053
Cl      11.37329997       3.34421005       4.70110995       0.86130246       1.36281032      -0.93235910
Cl       3.21378004       3.77059998       7.37325999       2.12253569       1.11683178       2.45033833
Cl      10.01810002       2.89325006       1.31971997       0.18064584       2.38093227      -0.64957865
Cl       2.56602000       8.95876004       5.00671997      -0.71080866      -1.56317307      -0.05516931
Cl       8.78007003       5.31001001       7.07400001      -0.73695984      -0.14960962      -0.00033917
Cl       9.37324996       7.65888999       0.08664513      -0.16102351       0.24753319      -0.10926308
Cl       2.06530999       0.82869102       5.37702999       0.33879383       0.73722290       0.41832999
K        6.84819999       8.97961994       9.19089996       1.32829877       0.98052431       0.49000611
K        4.43967995       0.33405695       1.24444996      -1.57274451       0.82474080       1.30294289
K        1.82309999       1.71180003       9.02990003       0.49136976      -0.34776136       0.60418672
K        4.07728003       7.06814002       7.54717004      -0.77888172      -0.11184402      -0.59652709
K        0.32212197      11.10249998       3.67662003       0.30999980      -0.67433715       0.01545774
K        7.80378995       5.31886004       1.02510995       0.57252614      -0.69961578      -0.62000178
K        6.48675002       5.84656004       5.46129003       0.09586499      -0.77167262      -0.48463974
K       10.34119995       5.50733001       9.46333997       0.32023458       0.03706692       0.14178926
K        4.55196999      10.42520001       5.88847001       0.61809243       0.96858520       0.11384038
K        5.33134994       2.02419997       6.00844999      -0.17265907       0.25989944       0.39307813
Li      11.00220002       1.57093001       5.48432002       1.29166493       0.66512272       1.31124341
Li       5.40336004       3.71990003      10.60029996       1.18016479       2.22155355      -0.96128718
Li       8.97770994      11.65745984       7.91358000       0.74870711       0.03815890       0.05605009
Li       9.82501000       1.01360001       1.68580001      -0.42516008      -1.73865459       0.42748882
Li       3.51161995       6.67209995      11.64390003      -0.81398479      -0.11578501       0.56679349
Li       3.98219001       7.33466999       3.14714001       0.46138026      -0.79215863       1.25313911
Li       2.09301998       3.40104998       5.92129998      -2.19524240      -1.08486304      -2.80644253
Li      11.48910001       8.09335004       1.19426995      -0.16813313      -0.16335817      -0.11105412
Li       3.47484999       9.58446004      10.12370000      -1.09773065      -3.48537465       4.61318506
Li      10.20349999       4.96496001       5.53570005      -0.09697719      -0.43919639      -0.01247068
Li      10.38639996       8.23751000       6.02053003      -1.56093010       2.32741476      -0.29714047
Li       9.23008998       1.98793006      10.10969995       0.82216403      -0.16393165      -0.11726281
Li       6.01757001       0.53158406      10.05900000       2.01816191      -2.61461314      -1.54524260
Li      11.74084742       4.57399001       1.04899004      -0.15782511      -1.23135651      -0.59204767
Li       8.29133999       9.99120999       5.84088997       0.20200509       0.24003217      -0.25957068
Li       1.32887001       6.45325998       4.03617001       0.22444831       0.50682310       1.18611498
Li       8.48465996      10.22880005       0.49835211       0.32119349      -0.30817292      -0.03360084
Li       3.67939001       4.29629002       2.05529997      -2.11510767      -0.96625014       1.23496972
Li       0.48563097       9.48187000      10.54740001       0.07893831       0.67233578       0.16722635
Li       6.74171001       8.64688994       2.65947000       0.53813991       0.56979497      -0.35865345
60
Lattice="11.77414789 0.0 0.0 0.0 11.77414789 0.0 0.0 0.0 11.77414789" Properties=species:S:1:pos:R:3:forces:R:3 energy=-469.31790322 stress="-0.023770194356589627 0.003126261071952848 0.001209031622888602 0.003126261071952848 -0.01675650668063974 -0.005183632255133704 0.001209031622888602 -0.005183632255133704 -0.028009641376237467" free_energy=-469.31790322 pbc="T T T" config_type=melt 
Cl      11.22150000      10.78219995       2.28387998      -3.58935585      -2.72075144      -1.02374011
Cl       5.59958999       0.05805208       5.94950001       0.19924663      -0.05934589      -1.10842499
Cl       2.48636000      10.07759997       4.07681001      -0.36267549       0.06173740       0.23872670
Cl      11.45909995      10.92830005      10.47879994       0.12740902       0.48460970       0.07128371
Cl       7.24150999       6.35689000       0.12023701       1.16247165       0.16214821       0.87343669
Cl       0.72551004       2.53920002       0.81475102       0.50398867      -1.29651919      -0.90632755
Cl      10.81539999       0.64958904       7.42121998      -0.32368955      -0.34449802      -0.21726537
Cl       0.32985205       1.68015995       4.31208998      -0.19154598      -0.93005322      -3.62414924
Cl       8.61563005       2.46870996       5.90859002      -0.50779204       0.99484940       0.57365969
Cl       0.78783002       2.91507003       8.70111001       1.45525792       0.38184438      -1.02246554
Cl       5.87283994       9.73028003       9.53646002      -0.12684283       0.03530362      -0.09485671
Cl       7.04792004      10.53469994       2.56986002       0.33451641      -0.47990202       3.12450832
Cl       6.24995000       5.77291004       4.58623995      -0.04763069       0.56565021       0.33451307
Cl      11.37980000       7.46833000      11.29099997      -0.50632652      -0.27461786      -0.52181182
Cl       4.81976004       6.85290000       7.56158996       1.35217758      -3.19004568      -1.68442696
Cl       7.49225000       4.48896005       9.37185001      -2.00774649       0.67689300      -1.97380678
Cl      10.28269998       4.33904995       1.81078000      -0.83507348       4.05500359       0.37084689
Cl       7.93439999       1.54808004       0.78227603       0.24844379       0.49008843       0.14203531
Cl       3.13895003       0.07610291       9.00446999       0.23858111       0.10039331      -1.74688711
Cl       3.17682005       3.19252005       6.26291004       0.22861414       0.18619739      -0.21509266
Cl       2.34349001       7.88441002       9.44350995       0.95435900      -0.36277106       0.14372794
Cl       3.95862005       9.55774002       1.21493005       0.98388393      -0.80646201       0.13407570
Cl      10.25789997       4.12601994       9.93866997       3.55273349       0.90891214      -0.81093320
Cl      11.51249995       7.47846000       7.63760998      -0.08063854       0.58424282       0.73954825
Cl       4.17473995       1.76416002       1.80816001       0.35210301       0.02126800      -0.43140031
Cl       6.42287998       1.52577003       9.58819998       0.56599097      -1.81897489      -2.82161643
Cl       2.28978000       5.30522005       2.49932004       0.07040293      -0.62203364      -0.54696212
Cl      11.70779998       5.05114995       5.58068000      -0.46648808      -1.09695723      -1.69906845
Cl       7.74173996       8.29883000       5.96003999      -0.60092709       1.45669380       0.33145588
Cl       2.78485996       5.13446994      11.13169999       2.78214709       0.26205936      -0.99952378
K        1.40647000       7.90886998       1.42273999       0.76747162       0.58846925       0.86166667
K        8.43537997      10.20590003       0.56835095       2.05295095      -0.24384867      -2.60677134
K        7.75207001      11.15930000       7.98945001       1.27866398      -0.28668061      -0.42102564
K        6.28475003       7.88588002       2.61466995      -0.42405780      -0.63586384       0.25443443
K        5.06342002       7.20402004      10.50379999      -0.39075698      -0.26418049       0.50629127
K       10.17070004       7.70227996       5.22043994       1.02361190      -0.23185166      -0.82616273
K        5.84954997       3.21738999       4.07577000      -0.12210435      -1.10003516       0.11896132
K        2.31728994       6.27032999       4.95855004       0.86739510       0.70072349       1.17038674
K        2.75690001      11.43790001      11.54889996      -0.88233692       0.72799059       0.56582041
K        8.73191000       0.38664795       4.20644997       0.54537977      -0.46713198      -0.13332485
Li       5.35317003       0.36645399       7.97729003      -1.34261337       0.25488858       1.26403686
Li      11.39080000       1.99527995      10.20259998      -0.00997397      -0.55580248       0.60012487
Li       7.06584005       6.52142995       6.85885995      -0.47946001      -0.64902133      -0.15340035
Li       4.09711005       8.38172000       8.30248999      -1.04896275       3.67552160       1.02779343
Li       9.22767004       3.07311006       8.10015997      -0.41692865      -0.16528802      -0.46165969
Li       3.52817004      11.73377905       5.03354995       0.08072728       0.05911012       0.05163625
Li       5.61973003      11.47180002       1.68913998      -2.22113433       1.15976999      -0.99711262
Li       0.48722896       2.29964003       6.05818999       0.06626204       1.64387854       3.34504283
Li       1.17403996       0.37908894       7.96053000      -0.03408569       0.11486674       0.59374825
Li       0.98991702       5.49725004      10.64179995      -2.79879994       0.53523201      -0.84498299
Li       0.55752203       3.68619995       2.64239995       0.19880303       0.46845469       0.77089868
Li       0.82326502       0.10975213       2.69181005       3.18608728       2.32435987       1.31186697
Li       5.98271994       2.42316002      11.15309997      -0.34182742       1.31951152       2.78917130
Li       0.76616606       9.07702994       9.86921003      -1.45365356       0.41357388      -0.17760956
Li      10.31039995       2.49740003       1.75563000      -0.21654344      -3.55445626      -0.45603675
Li       9.53133002       6.39495005      11.17439999      -0.61137259      -0.33084300       0.02495106
Li       3.91517003       4.78815999       7.71021998      -0.07776147      -0.51910952      -0.01022685
Li       3.17597996       3.87438003       0.83510805      -0.17136662      -1.30573931       1.65144760
Li       8.67693003       3.94205995      10.87150003      -2.49388898      -0.90153567       3.06006184
Li      11.51820005       5.33298996       7.53993000       0.00468121      -0.19992549       1.49091355
60
Lattice="11.77414789 0.0 0.0 0.0 11.77414789 0.0 0.0 0.0 11.77414789" Properties=species:S:1:pos:R:3:forces:R:3 energy=-473.3364786 stress="-0.008792142187773461 0.00045565548175049243 -0.0031958836769464863 0.00045565548175049243 -0.02023865782900332 0.0001450853151782553 -0.0031958836769464863 0.0001450853151782553 -0.01672950697945923" free_energy=-473.3364786 pbc="T T T" config_type=melt 
Cl       9.79071002       9.62493002       0.91516201      -0.72785637       0.48568983      -0.43415378
Cl       9.01820995       3.35757995       4.75290996      -0.35290285       1.65624208      -0.48419792
Cl       4.76902994       2.83284997      11.34770003       0.65568563      -0.63677991      -1.05033540
Cl       2.88174000       4.92569004       7.08491005      -0.59000924       0.83707737      -0.36337640
Cl       6.90770995       8.60040996       3.31932998       0.80478088      -0.17562713      -0.67044347
Cl       8.03440995       4.55032997       2.24118998       0.50259025       1.12767395      -1.50838005
Cl       1.72176002       4.30886999       0.47990296       0.70046872      -0.25516697       0.43597890
Cl       8.77191997       8.99680996       8.25366001       0.77314711       0.55191645      -0.73590758
Cl       6.92778004       4.12812999       8.48189998       0.37378941       0.93922436      -0.81445366
Cl       8.27066000       1.91525001      10.36159995       0.90999831       0.08686665      -0.47958636
Cl       6.57922005      10.67499998      10.13819998       0.43565048       0.32825322      -0.18726467
Cl       1.67054000       8.03471997       9.20619999       1.29805756      -1.69453122       1.42439509
Cl       5.79403004       1.83826003       2.47379003       0.08224595      -0.49121656      -0.02953253
Cl       2.91478003       7.83101002       2.99262999       1.32525021      -1.08002343      -1.73367572
Cl       1.41005005      10.64720004       2.55273004      -0.52192803       0.06703229      -0.47430821
Cl      10.25919995      10.46660004       4.19404002       0.25936282      -0.67627292      -0.16464183
Cl       5.66468996       7.07768002      10.68120001       1.24393364       0.86392135       0.89426600
Cl       0.63839194       2.74884002       4.40657999       0.26175171       0.49893180       0.33910929
Cl      11.67459994      11.09020000      10.28500006       0.17463863       0.04936360       0.02857288
Cl      10.80500000       0.78606896       7.13402002       0.68394170      -0.41734641       0.26245281
Cl      10.61680002       1.40534004       2.14495998      -0.25661012       0.41176760      -0.57135765
Cl       7.92095002       0.86131695       5.98789998      -1.13647040      -1.21810429       0.19733635
Cl       2.70559004      10.53480002       5.58367994       0.95226171       1.55236372       1.64043036
Cl      10.65279994       5.05777997       8.34879995       0.29994438       0.04440965      -0.08726234
Cl       4.74559998       5.39384005       2.02372994       1.75003426       1.20916149       1.39386049
Cl       4.13203995       1.84151994       8.31272997       1.24486369      -0.92459139      -0.07011579
Cl       5.38640998       6.69673005       5.82262002       0.40780313       0.03584489       0.92341371
Cl       9.24733004       6.93302001      11.11569998      -0.47384504      -1.36509679       0.58384677
Cl      11.27960000       6.70758994       2.44811003      -0.37226378      -1.06722624      -0.20478113
Cl       0.57798303       7.82196994       5.77516997      -0.72765317       0.71132567       1.04071939
K        2.01175999       1.14566003       1.03709002       0.27049167       0.72885737      -0.12326303
K        2.41483005      10.40260001       8.49058000       0.94491800       2.07226876      -0.62438174
K        5.78575999      10.22089995       5.29353997      -0.51590701       0.55319807       0.80463248
K        4.45592003       5.33417998       9.35662003      -1.12420588      -1.75131153      -0.75964619
K        6.04771995       9.13596002       0.56429099      -0.37119122       0.77462917       1.03209409
K        1.54473005       5.80838001       4.35489996       0.52409044      -1.68810876      -0.14182257
K        1.66659001       2.61300002       7.97661996      -1.63923312      -0.12483126      -0.26545793
K        0.21025096       6.27509005      11.15950005      -0.31366105       0.08434479      -0.12919113
K        9.27539996       6.88352997       6.35065994       0.37401722      -0.33908211      -0.21608714
K        8.08083000       0.04040028       2.96905002       0.24331827      -0.29727827      -0.03585311
Li      11.30810004      11.39480003       1.02383999      -0.23585225      -0.66129327      -0.02213571
Li       6.45023003       1.97323003       8.65874003      -0.34728793      -0.48297268       0.00664446
Li       3.30080995       6.62040002       1.17870995      -0.58911699       0.12983112      -0.19905369
Li       2.30851997       9.16836000       4.25444999      -1.58291750       0.33823056       0.05805531
Li       5.85062001       6.78119002       3.82746005      -0.57452409      -0.30086672      -1.10450308
Li       7.50163000       2.93969001       3.31195995      -0.66178822      -0.88543636       0.61151047
Li      10.06810000       2.79220997       6.33906994       0.95532827      -0.64449501       1.40686045
Li       9.58565005      10.41719995       6.15887002      -0.25136549       0.86630031       1.21118911
Li      11.73759999       9.01951005       9.31529996      -2.22939096       1.12623564       0.14795979
Li       6.55736994       4.86545998       6.20627003      -0.14467752      -0.62255783       0.50201799
Li       8.97573000      11.65886485       9.45022003       0.04562667      -0.09409778      -0.07466184
Li       8.08203002       5.01983001      10.31400002       0.15513303      -0.19110280      -0.42008134
Li       8.15193997       8.47661998      10.28170000      -0.87542601       0.94752673      -0.37795975
Li      10.70829998       8.75584002       2.65100003       0.28554948       0.57178539       0.45975338
Li       4.03719000       3.76450003       1.20513996      -0.99183820      -1.05613681       0.11673941
Li      11.75089995       0.54577202       4.49702005       0.09486785       0.02092586      -0.12933762
Li       6.89351998       1.73410003       0.11620095      -1.34329563       0.16447604       0.65500123
Li      10.48939997       4.32192999       2.63138006       0.02909830      -0.38428064       0.34566534
Li       1.39488000       6.65186996       7.70142999      -0.29175355      -1.10668711      -1.44981385
Li       7.89547995       6.43215000       1.35385004       0.18033224       0.79684645      -0.38548135
60
Lattice="11.77414789 0.0 0.0 0.0 11.77414789 0.0 0.0 0.0 11.77414789" Properties=species:S:1:pos:R:3:forces:R:3 energy=-472.87595299 stress="-0.017500834518481074 0.0011357846297191457 -0.0030998819640247247 0.0011357846297191457 -0.014942049702389468 0.0023394704499735013 -0.0030998819640247247 0.0023394704499735013 -0.006506979870168381" free_energy=-472.87595299 pbc="T T T" config_type=melt 
Cl       9.82302994       2.11993003       7.44518002      -0.18431872       0.02393649      -0.15817476
Cl       1.17022997      11.09070005       6.35119001      -0.20460180      -0.29513221       0.51978535
Cl       9.62953995       4.15921998      10.39600001       0.34022003       0.27403981       0.69899732
Cl      11.37190002       6.13182999       7.34168997      -0.36001312       0.78459966       0.20252811
Cl       0.46533999       8.31582998      10.82340005       0.75520081      -0.79768588       1.17120426
Cl      10.01430003       4.60192005       3.07840995      -0.82945151      -0.13615323      -1.04610196
Cl       6.29960995       5.25981999      10.42849995      -0.93217387      -0.28954388      -0.30087245
Cl       6.48987005       1.34531002       5.61023994      -0.57870875      -0.21073033       1.69649631
Cl       4.56134999       8.43996000       6.87125001       1.77978552      -0.24987019       1.97993719
Cl       7.12641004      10.77269998       3.44257999       1.51586498      -1.89679818      -0.52312112
Cl      10.48830003       0.42436396       4.11914996       0.27734342       0.70063834      -0.09548734
Cl       9.21788996       0.04999185       0.34972799       4.43979972      -1.06755045      -0.36253172
Cl       1.66644001      10.70009999       2.20290998      -1.79670784      -0.46506519       0.01080630
Cl       3.40101996       2.58663994       8.34805995       0.27835764      -0.49369926      -0.47962193
Cl       3.91812005       1.81820995       3.29887004      -0.14815843       0.20451381       0.03152751
Cl       9.50433001       9.88262997       6.01235994      -0.89655540      -0.49797883       1.30984842
Cl       0.31005900       7.65808005       4.06213000      -1.15247888      -0.44470718       1.67459908
Cl       1.85072002       4.27523996       5.04243001      -0.85566858      -0.93011688      -0.31890086
Cl       4.55000995       8.70532998      11.33540005       0.12506364       1.83113372      -2.09600222
Cl       5.33574994       0.09935638      10.33970004      -1.79048847       2.19803185       2.31606991
Cl       6.94408995       6.34079003       2.02208003       0.27471036       0.06481218       0.10912146
Cl       4.60306002       5.26665995       6.09758005       2.03894957      -1.65618553      -0.33826700
Cl      10.17640002       8.91969000       1.99425996      -0.11375350      -0.78916572      -0.49057177
Cl       0.71253905       0.23179400      10.94049995       0.90229754       3.05967112      -1.98482652
Cl       6.78143998       2.20454000       1.71669996       0.24811926       0.60008806      -0.43832887
Cl       3.10967997       6.66444004       1.71464997       0.12863305      -0.42559974       0.52952852
Cl       8.02504998       5.51977999       6.53485000      -0.64567051      -0.53073831      -0.11725478
Cl       1.39128006       4.39554997      11.67949999      -0.25821970      -0.15614253      -0.24125481
Cl       4.35370006       9.53633003       2.98665002       0.03093864      -0.50794263       0.11648805
Cl       7.81083996       7.82032003       9.20841000       0.73459605       0.33961890      -0.60836354
K        2.64932998       6.94183002       5.91699994      -2.12285059       0.04685034      -0.40993533
K        3.05383001      10.24759995       9.71811004      -0.82185310       0.33603078      -0.65767059
K        3.84400002       2.59298998      11.46569995       0.11327375       0.34260147      -0.32920440
K        7.12667001       8.34479003       5.04861003      -0.29405470      -0.28660552      -0.49943929
K        6.93971997      10.66309997       9.05695996       2.35296296      -1.88917497      -1.85547409
K        7.72097001       3.51205005       4.53781005       0.52630974       0.63389220      -0.61342747
K        0.80981600       3.65790997       8.03039002      -0.38295471       0.11950599       0.53487825
K        3.80269996      10.48339998       5.58545995       0.05274830       1.95737326      -1.20760372
K       11.11069997       9.10490994       8.64610001      -0.75516925       0.63039825      -1.37360450
K       11.20529995       2.43142995       1.25944999       0.01592492      -0.33486898      -0.15056957
Li       6.50742001       0.80539905       3.55878000      -1.05083453       1.60927344      -0.73440780
Li       9.56358000       6.77054996       1.87203006      -0.79922169       0.04313380       0.44939211
Li       4.40038997       4.35307002       3.49806001      -0.63923954       0.27791408       0.02716725
Li       9.15111005       6.97135004       7.42400998       0.96352509       0.79855011       0.63553145
Li      11.35259996       9.95598998       4.93409996       0.39888065       0.30156621      -0.62300838
Li      11.61604793       5.49928002       3.89985999       1.55041595       0.13201363       1.02551002
Li       4.38010005       2.81090002       6.20236997      -0.05081666       0.34266225       0.35596923
Li       3.25072002       0.10535213       1.69841000       0.97881577       0.07217123       0.46305003
Li       1.08527996       1.48719003       5.93580997      -0.30841568       0.15085079      -0.59958226
Li       7.71311995       4.16633003      11.74958054      -0.10524765       0.12987739       0.27205954
Li       9.73358998      10.92569997       2.43676999      -0.69173054       0.49848125       0.14576242
Li       5.39639999       8.34804005       1.26844002       0.96894845      -0.44978526       2.70475686
Li       6.44361001       6.33828001       8.10366996      -0.53803306      -0.12884637       0.24279517
Li       1.80188004       8.41041996       3.05885003       2.14218999       0.93222680      -2.02488867
Li      11.59110004       5.97841001      11.30780003       0.35684102      -0.01852944      -0.42329405
Li       8.77659996       4.13545998       8.32956994       0.20208987      -0.31646556      -0.16576232
Li       0.46815213      10.40100002       0.05397976      -0.63743123      -2.97111689       2.29550861
Li       8.62872996       0.45402197       6.28737001       0.59689664      -0.00066216      -0.60995713
Li       7.49135999       0.49137098       0.34089302      -4.75544612       1.16852086       0.23637729
Li       4.22749002       6.78711995      11.50190004      -0.38943521      -2.36811679       0.12181516
60
Lattice="11.77414789 0.0 0.0 0.0 11.77414789 0.0 0.0 0.0 11.77414789" Properties=species:S:1:pos:R:3:forces:R:3 energy=-475.49752616 stress="-0.006393532458915281 -0.0041782585284869484 -0.004159521549298593 -0.0041782585284869484 -0.0037968127989300893 0.0012361480465312754 -0.004159521549298593 0.0012361480465312754 -0.007778984681337326" free_energy=-475.49752616 pbc="T T T" config_type=melt 
Cl      10.96830001       7.46431996       3.76027005      -0.00648821       0.12708990       0.10425499
Cl      11.06609997       2.39482000       9.92943998       0.92499406      -0.29762245       0.71938646
Cl      11.59650002       4.68163998       0.38802799       0.19082611      -0.05735840       0.19750717
Cl       0.37266202       1.06001005       6.70401001       0.46105295       0.22365217      -0.00437340
Cl      10.89100002      11.18150004       1.63274004       0.10404681       0.73143866       0.42182994
Cl       1.94256003      10.15239995       3.87750995      -0.25324991       0.19119377       0.92040393
Cl       2.32168005       0.28615701       9.53557001       0.07644764      -0.45368864      -0.63039175
Cl       8.69853995       0.88404105      11.14550000      -1.01337023       0.74342385       0.81318912
Cl       9.09993996       2.90816001       2.12189996      -0.30175304       0.19118866      -0.27753826
Cl       8.22957999      10.58739997       3.88042005      -0.35015834       0.10602455      -0.52838246
Cl       5.01528001       9.22384002       3.50216001       0.01368642      -0.18204136       0.20544180
Cl      10.08859997       6.17212995       8.79476994       1.42255030       0.83146240       0.49727161
Cl       5.67240003       1.54224995       3.16056996       1.04027413       0.57770616       0.95940802
Cl       6.54068998      10.90200002      10.00370000      -1.24020951      -0.76752956       0.27984873
Cl       6.60302997       5.68965999       6.45751999      -0.70480394       0.02463746      -0.27842975
Cl       3.09197000       3.73037996       7.48433000       0.24487777       1.49660874       0.75078840
Cl       9.97653999       9.57166001      10.23360001       1.59541975       0.92429244       0.70454672
Cl       3.24941003       8.07908001       7.08679003      -0.08846251      -0.09114848      -0.49560952
Cl       8.34727002       3.75943997       8.40934003      -0.33284423      -1.12672244       0.50915918
Cl       2.24907995       7.18259003       0.72685795      -0.14504727       0.18731043      -0.42612266
Cl       9.87100995       9.35438000       6.73266004      -0.51996693      -0.48650982      -0.07621446
Cl       4.27087999       5.78231994       3.20956996      -0.38879450       0.62457301      -0.48002982
Cl       5.80736002       7.39420997       9.47372995       0.22533500      -0.58380633       0.02688261
Cl       3.80628001      10.87620004       0.69498403       0.35108208       1.03876827       0.53815920
Cl       3.98879001       3.44444996      11.25679996      -0.29949348       0.56054929       0.36612990
Cl       4.30040002       0.75213104       6.29330995       0.70521419      -0.56744131      -0.22119852
Cl      11.40260005       4.44762997       5.76486006      -0.19237068      -0.37904088       0.19132474
Cl       8.00933997       6.98411004       0.52300494       0.54400609      -0.32375826       0.03500445
Cl       1.47984002       2.76676003       2.87497999       0.16369980       0.10155993      -0.28640068
Cl       8.92955002       1.25932000       5.55882000      -1.28344854       0.48839991       0.00655576
K       10.92930003       7.44285003       0.42503402      -0.29795670       0.83149654       0.42136175
K        3.64968996       9.35343995      10.14929994       0.18031390      -0.02000129      -0.76347121
K        3.97709004       3.69520999       4.72630003      -0.00840443      -1.41957059       0.79798458
K        5.60784002       2.89371996       8.96793999       0.23785645      -0.39036330      -0.64336364
K        7.76181994      11.59879998       7.73014996       0.63654904      -0.01836077      -0.08503858
K        5.23393005       6.75086994       0.73490204      -0.02878576       0.12450010      -0.32357759
K        0.17780694      10.50169995       8.10751999       0.46137482      -0.38316681       0.52415533
K        6.18018994       1.88265999       0.55152805       0.36054515       0.07494520      -0.98565181
K        8.94504998       5.14638997       3.82436003      -0.18101449       0.57852107       0.48490336
K        7.06264997      10.47219994       1.14019000       0.04213631      -0.70325704      -0.11773296
Li      10.30960002       9.82728995       4.61281997       0.07115513      -0.30586076      -0.45450844
Li       9.41351001       4.28262000      11.33770001       0.23195371      -0.26730126      -0.48065214
Li       2.54345001       1.79075005      10.94419998      -0.27629127       0.30634808       0.45048524
Li       2.53768998       9.60411003       1.92735996       0.02183109      -0.54137758      -0.06953150
Li      10.59909994       0.05195213      11.30729998       0.34180799      -0.38626303      -0.49959406
Li       0.97641596       5.50757997      10.40540002      -0.13768309      -0.25465308       0.07181124
Li      10.77790003       1.93403001       5.44059002       1.23222414       1.32625855      -0.56065851
Li       6.93914999       0.57247002       4.96147003      -0.42862582      -0.18107860      -0.65057258
Li      11.01959997       3.45100004       8.11582995      -0.54049979       0.42389185      -0.86550215
Li      11.09300001       6.66851001       5.95748994      -0.17269439       0.31439719       0.11269497
Li       4.03492995       0.38654798       2.82425002      -1.53596159      -1.34096860      -0.06896693
Li       8.33414997       8.66618000       9.55264005      -1.47499911      -0.70542509      -0.26042051
Li       3.33336005       7.41752996       4.48790003       0.24958227       0.66571582       0.14769535
Li      11.12160001       2.09644002       1.70546001       0.97302302       0.07656041      -0.13740992
Li       7.99771994       5.95328999       8.24731998      -0.58384687      -0.25098505      -0.28345836
Li       8.97180002       0.77719302       2.51550996       0.16138254      -1.02145281       0.34221703
Li       4.07530998       9.93059997       5.55005003      -0.36497067       0.21015309      -0.10085911
Li       4.56145996       5.86458002       8.03276004       0.29289271       0.61052740      -0.62844488
Li       2.40969004       1.75894996       7.19875005      -0.10019360      -0.96519944       0.22021368
Li       2.24855000       5.08176002       2.09347999      -0.30575246      -0.24124188      -0.13650909
60
Lattice="11.77414789 0.0 0.0 0.0 11.77414789 0.0 0.0 0.0 11.77414789" Properties=species:S:1:pos:R:3:forces:R:3 energy=-470.96758042 stress="-0.010166541047058076 0.0021954391072337887 -0.0005573877364120379 0.0021954391072337887 -0.024044638793171435 -0.004346577992457996 -0.0005573877364120379 -0.004346577992457996 -0.011206025189055113" free_energy=-470.96758042 pbc="T T T" config_type=melt 
Cl       9.06750995       4.71505996       1.12388998      -1.19269672       3.40131200      -1.07706253
Cl      11.51170001       5.51466000       9.44930000      -0.48912095       1.99023932      -1.38774132
Cl       8.40582003       7.32653994       7.06428999       0.09242983       2.10256263       0.57402251
Cl       3.72477994       7.99174998       5.70043003      -0.55326898       0.87333371      -0.42748770
Cl       1.27201995      10.32699997      10.76839994       0.04831277       0.53635309      -0.22054668
Cl       9.79837994       1.56513995       3.44885997      -0.04365908      -0.00021290      -0.05740448
Cl       8.34420003      10.16239997      10.26910001      -0.92255031       0.86854796       0.64045071
Cl       9.24236005       4.69338999       5.54929001      -0.23356097      -1.06330674      -0.55134832
Cl       3.45411995       9.39532001       1.78387995       0.62900981      -0.48438761       0.60221525
Cl       4.44610004       1.48049996      10.19280000      -0.16527273      -0.76626220      -0.39804312
Cl       4.78145002       9.62021000       9.71669997       0.42016112       0.04591324      -0.04562546
Cl       7.30088996       0.53645502       0.59771897       0.06954321      -0.19730140       0.63116992
Cl       8.15533999       0.03075207       7.19494005      -0.84319075      -0.71160609      -0.39046125
Cl       5.90570995       5.81735003       6.22883001       0.55813674       0.25475251      -1.70234049
Cl       3.85567997       2.70259999       2.28491999      -0.01524147      -0.83087201      -0.06134874
Cl       5.02691004       6.05709994       9.14585996      -3.31468573      -3.93225878      -0.41043250
Cl       1.78494999       3.54431004       9.45379996       0.87791930      -0.12826703      -1.78183290
Cl       0.71895502      10.39320000       3.20018997       0.03842144       0.09180966       0.39065283
Cl       2.00084006      11.25260000       7.33192002       0.93984297       0.55523851      -0.84217564
Cl       9.70344004       8.33402999       3.50121996      -0.44693075      -1.96169428      -0.67513104
Cl       5.23285001       1.81311999       6.21437995       0.14395421      -1.96836093      -0.96840195
Cl      10.67129996       2.19763999      11.29840002       0.21004288      -1.30185692       1.60613294
Cl       6.46035002       7.25493004       0.39482403       1.12698288       0.81372761      -0.71698263
Cl      11.46480005       9.02312000       7.64091004      -0.31959439       0.00179908       0.79492325
Cl       4.95550996       5.42500999       2.58633005       0.27458770       0.59198088      -0.86848631
Cl       0.90430801       4.35247001       5.48405004       0.85241228      -0.52644036      -0.07434811
Cl      10.77499994       8.16130995      11.31329997      -1.89846375      -0.21157279       1.56935369
Cl       2.22246002       6.94850996      11.39800001       0.09550553       0.38605655       1.13428282
Cl       8.11540997       3.57473997       9.49314999       0.11876275       0.00194727      -0.27543874
Cl      10.48839999       1.81110002       7.26599998       3.34179713       1.58199564       2.10006920
K       10.07460004      10.47969995       4.96794004       0.10562277       1.03363305       1.14269268
K        6.23224004       3.09567003      11.67289999      -0.60179838       0.94937671       0.64481063
K       11.29789997       6.62119995       6.09554995      -0.28735784       0.70245310       0.32528717
K       10.78849994      11.34719998       0.93642494      -0.31524700      -0.52697719       0.26487241
K        1.22977996       7.17389000       2.64000003      -0.36192951       0.12814130      -0.58170661
K        2.37269002       1.71237002       4.52459004      -0.17714484      -0.17425298       0.42441155
K       10.54719997       0.29754096       9.32194999       0.50832909      -1.84529785       0.02769267
K        6.57844002       3.61901995       4.30624000      -0.10933711      -0.59744282      -0.29148746
K        4.51823000       3.90564004       7.45580996      -1.46722792       0.14857481       1.53356652
K        2.07104000       2.67533001       0.07807908       0.18376336      -0.69166605       1.09249983
Li       2.87276999      10.49110004       9.08467996      -0.73516477      -0.02650592       0.34285916
Li       6.39365995      10.04559996      11.75830000       0.34205102       0.00851785      -0.17822029
Li       5.95161005       7.46841995       9.61610000       2.81870043       4.35086309       1.87796828
Li       2.33494999       5.88216000       9.67527004       0.10038948      -1.19513346      -1.06721698
Li      10.70720004       4.03466998      10.55349996      -0.99850969       0.73854586      -0.09418601
Li       8.11915002       5.29609002       7.44380998      -0.41487920      -0.99972520       0.37598347
Li       4.80118997      11.66593087       7.66426995      -0.01820004       0.97741062       0.16966531
Li       3.21571995      10.58540001      11.75628733       0.20546690       0.10402063      -0.01702750
Li       4.23059004       6.37045005       4.21533003       0.22499880       0.28352826       1.30345573
Li       2.42249996       9.43593999       4.26044998       0.50244919       0.50867947       0.10870741
Li       8.29408996       6.30160001       4.36515995       0.12933931       0.83507245       0.14100738
Li       0.41539700       8.09934002       9.91147004       1.04518612       0.06352057      -1.11928138
Li       9.58424999       3.11242994       1.78465999       1.35204840      -3.99956346       1.40264976
Li       7.94004004       1.27024005      10.40480001      -0.04430053      -0.07935067      -0.72440000
Li       0.09695928       3.53893997       7.78111000       0.35436675       0.23316795      -0.21493480
Li       4.37341999       6.74182999       0.47139402      -0.32927332       0.00028057       0.31118459
Li       9.42653999       8.81417998       9.23553999       1.05042348      -1.12363350      -1.12905180
Li       9.47101000       1.81954997       5.76359999      -2.47339221       0.12177829      -3.08178838
Li       5.92435996       8.79940001       6.36914995       0.22385278      -0.76621244       0.06097374
Li       9.07862004       6.78506995       0.48927095      -0.21281153       0.82502733      -0.16162030
60
Lattice="11.77414789 0.0 0.0 0.0 11.77414789 0.0 0.0 0.0 11.77414789" Properties=species:S:1:pos:R:3:forces:R:3 energy=-469.55147869 stress="-0.012211309936747768 -0.007757358239189705 0.00226056418685697 -0.007757358239189705 -0.022252003741134608 0.0031978073662326657 0.00226056418685697 0.0031978073662326657 -0.009699911394437943" free_energy=-469.55147869 pbc="T T T" config_type=melt 
Cl       7.63464996      10.90570005       0.48387403       0.14088882      -2.09583163      -0.83177998
Cl       9.68052001       9.39282000       7.79773003       1.48711560       0.74081277       1.98600559
Cl       2.37391006      10.05760005       8.88603996       0.41880076       0.44379124      -0.57996830
Cl       9.90688001       0.25598799       5.70193995      -0.38994499       0.38902393      -0.56572628
Cl       1.44758003       2.01676000      10.63269994       0.21694610       0.30471157       0.03785572
Cl       8.13530003       3.74270997       4.72056002      -0.20183838      -4.16654721      -0.55911799
Cl      11.45779997       3.50049997       3.23218998       0.20780116       0.46876304       0.03948399
Cl       5.62142998       6.70284001       4.08181002       0.12523679      -0.61338686       1.63721931
Cl       4.40904997       8.19604004       1.55453003      -1.37731720       0.31297650      -1.44571089
Cl       3.63727000       6.71178000       9.10940002      -0.13321835       0.92047923       0.34453549
Cl       3.66893999      11.44049998       0.91700996       0.67608648       0.55797654      -1.30849029
Cl       6.40773995       2.01620002       2.44747999      -0.32561652      -2.38880482      -0.38709040
Cl       6.90344995       7.13686995       7.11527005      -1.07023870      -3.66405119      -0.16944283
Cl       9.40284004       7.91633997       4.56183002      -2.02149103      -1.78826127       1.74607344
Cl       0.18265495      10.20820000       0.32746401       1.63962268       2.71829294      -1.07165225
Cl      10.99060001       6.99844000       0.09631017       2.29625113       0.25755575       0.61769565
Cl       6.33915001      10.59019998       7.93243994       0.32058509       0.53711738      -0.38682861
Cl       7.16491998       5.10579000       1.28442001       0.11176043       0.22921526       0.13223998
Cl       3.41741004       4.49179998       0.30896695       0.01672253       0.01712460       0.07206404
Cl       1.51841001      10.62639995       5.68488004      -0.03261350      -0.19891384       0.72115266
Cl       3.25297995       2.19947005       7.02346996       0.26991290      -1.57248257       0.08129008
Cl       6.69633998       7.11420001      10.37810001       0.78055294       0.03311418       0.40518612
Cl      11.12299995       5.71428997       8.33924005      -0.90910876      -1.99160462       1.04543871
Cl       5.44580997      10.75940002       4.85733005      -0.22528620      -1.35382118       2.53976276
Cl       2.91940998       5.53521001       5.35410996      -1.27854568       2.06665674      -0.05337681
Cl      11.12639997       9.44175996       3.35893998       1.96595819       1.78887984      -1.62564274
Cl       6.20470996       3.62135995       8.15796998      -1.08567173      -1.59612545      -0.61306508
Cl       9.17651996       1.94911999       9.99194999      -0.15901981      -0.56391458      -0.34053270
Cl       2.42113004       1.32594001       3.23789997       0.26178880       0.66449373       0.12305201
Cl      10.22339995       0.93136795       1.62545997      -0.80991489       0.01689164       0.11699952
K       10.37509996       3.19018006       7.21753005      -0.02149128      -0.52420127      -0.11087402
K        2.59515995       4.22733001       8.68836002      -0.76582009       0.54835958       0.55318956
K        4.88576002       2.02986003       9.96618003      -0.09342966      -0.35729276       0.55901252
K        0.36584903       7.75546002       7.35988998       1.54441513       1.27765735      -0.87686156
K        2.58498002      10.00370000       3.07077995      -0.32659243      -0.26947125       0.50220913
K        1.97559004       8.65166000      11.23520005       1.25298207      -1.68398919      -0.16209991
K        1.18780006       5.80637994       2.40163005       0.21222637       0.19407886       0.30389625
K       10.74580005       3.54811003       0.05175209       0.03389417       0.10139988       0.19215694
K        5.27555002       9.91490998      10.29580001      -0.21926651      -0.65877139       1.03762599
K        6.85096998       1.48950000       6.25503997       0.10286837      -0.60594256      -0.05020610
Li       9.14574999       6.77046000      11.46990002      -3.40712889      -0.58769406      -0.58855336
Li       4.43720997       6.57352996      11.40589999       0.63954646      -0.27660331      -0.22656991
Li      10.23930000       9.59950999       0.72742405      -2.59251259      -1.12182536       1.73402045
Li       7.84294005       1.03048002       1.04284005       0.76265517       1.50426537       0.18699445
Li       0.55136604       0.68964599       2.19501000       0.21896902      -0.16434372      -0.00306556
Li       1.67291002       0.00725205       9.92938005      -0.35170481      -0.06471552       0.48223908
Li       9.49451002      10.83700001       9.95940001      -0.36317738       0.60769721      -0.31994016
Li      10.15709996       1.85610999       3.74827996      -0.35329368      -0.15770925       0.25674460
Li       5.04175006       7.75999000       6.30545004      -0.52523802      -0.15997344      -0.61885874
Li       8.29701996       5.49566995       5.13966999       0.12347255       5.21030608       0.52852922
Li       3.35331994      11.63580000       6.90798005      -0.31463197      -0.54189510      -0.41971186
Li       3.30543001       2.38493996       1.17093995      -0.36602963      -0.63813921       0.41665915
Li       5.46053001      11.58065390       3.19577996      -0.21530183       1.75222614      -3.44358750
Li       9.16195004      10.27459995       3.98531005       0.20905493      -0.29246698       0.28952073
Li       7.91676997       8.66530000       7.29450001       0.12877746       2.50987824      -0.25074841
Li      11.03830003       9.84528002       6.23242995       0.30564904       1.09028238      -1.54210296
Li       6.03894997       7.15575004       2.17685003       1.45212496      -0.73295220      -0.79776752
Li       7.27586000       5.17557997       8.40398998       0.98126263       2.72887823       0.72676109
Li       3.54983000       3.76146995       5.63991998       0.62981522      -1.65866714      -0.29078972
Li       6.07129003       3.85256995       3.07323004       0.40170055       2.49749270       0.22454822
60
Lattice="11.77414789 0.0 0.0 0.0 11.77414789 0.0 0.0 0.0 11.77414789" Properties=species:S:1:pos:R:3:forces:R:3 energy=-472.78898988 stress="-0.014519566462269526 0.0020251218110896555 0.0009946634342999398 0.0020251218110896555 -0.018936129192080646 -0.0017394973586672376 0.0009946634342999398 -0.0017394973586672376 -0.012744636293471997" free_energy=-472.78898988 pbc="T T T" config_type=melt 
Cl       2.30657994      10.49390005       7.39734001       0.13193448       0.24826421      -0.19763939
Cl       6.00899996       7.49724000       2.64971005      -0.26837561      -0.02884635       0.39545443
Cl       4.66884996       6.27932003       9.64017001      -0.16691163       0.21065973      -0.12493300
Cl      11.17150002       6.67872997       9.90212996       0.42025019       0.53571647      -0.02338421
Cl       9.10867002       2.18026006       6.88225000      -1.71356633       0.73424922      -0.45355251
Cl      11.20239998       3.58713003       9.05359997       0.41074667      -0.39648842       0.67053092
Cl       3.51110000       9.98708998       2.67495006       0.41859512       0.28910618      -0.29406696
Cl       7.85379994      10.33980000       1.72793003      -0.76853489       1.15685904       0.06415355
Cl       4.14722000       2.66084003      10.20039998       0.02041984      -0.21893093       0.06344044
Cl       8.71454996       5.50710995       4.23862001       0.10279187      -0.24580649       0.07649538
Cl       7.85009002       4.99173995       1.42724996      -0.22928946      -1.48752003      -1.47519942
Cl       7.39762000       8.60463005       9.13946000       1.01810281      -0.66590605       0.35663142
Cl       8.10537003       4.54260001       9.43385997       0.27919418      -3.59774402      -0.54717754
Cl      11.73509999       4.65660002       6.11404996       1.02107226      -0.93336908      -0.98275397
Cl       2.95619995       6.63415999       5.08042001      -0.98901440      -0.14050117      -0.19208318
Cl       6.01176005      11.46020001       4.21902994      -0.20005911       1.39859235       1.39737983
Cl       1.69494004       2.57541000       1.02026995       1.37809436      -0.28264190      -0.54633708
Cl      11.31970004       7.63558000       5.24176999      -1.31492149       1.19874688       0.81656140
Cl      10.62280000       9.79273000       8.58947001       0.09791668       0.20760055      -0.07846635
Cl       2.39200998       2.09334000       5.87584000       0.15418101      -0.83070825       0.22708842
Cl      11.16409997      10.83519998      11.64539994       2.12955663      -0.01812154       0.80232601
Cl       9.79112000       1.77809002       3.68075005      -0.92976969      -0.14514573      -0.27756080
Cl       9.59934998      10.80500000       5.87254005      -1.16340222      -0.35770643      -0.52120810
Cl       7.49680000      11.75912890       9.06518997      -0.04093787       1.59807401       1.28429211
Cl       0.77834206      10.26819999       4.34636005       0.90325209       0.59690930      -1.43731623
Cl       3.24344995      11.03249997      10.95420000       0.18237940      -0.28053780       0.57808523
Cl       4.83764002       3.47440999       4.08128996       0.42779418       0.23304017      -0.30230296
Cl       0.67130304       6.09842002       1.74422003       0.32184039       0.99887540       0.31547558
Cl       9.50211000       8.26635996       0.64551095      -1.22180709      -1.35414082      -1.62033948
Cl       6.88044997       6.78867002       6.82105999      -0.60861354      -0.77873122      -0.53593319
K        4.70210004       1.51137001       1.40835999      -0.41968513      -0.16879863      -0.14015943
K       11.40830004       1.11267004       6.07716003       1.30625552       0.17535830      -0.05118967
K       11.39740000       3.52936005       2.23851995      -1.36433599       1.12470737       0.38490569
K        2.00645998       4.80406004      10.38329994      -0.05379489      -0.50032614       0.18887370
K        4.71531004       5.69741997       0.58614299       0.15910575      -0.34284418       0.71783566
K        0.39337299       0.44466106       2.46148005       0.07537875      -0.25283545      -0.69919667
K        1.33302004       8.96331004       9.92176995       0.32893686       0.33516771       0.05083674
K        6.04586999       9.99698003      11.01989998      -0.64836638       0.12789672       0.73746214
K        7.99844005       8.54226003       4.85604996       0.51826543      -0.29271253      -0.24219648
K        6.19556003       2.54982995       8.19763002       0.06768041       0.30844801      -0.33294352
Li       9.62356999       5.26364000      10.44930005       1.36549180      -0.06694345       1.12789974
Li       8.01874998       0.52075996       4.82478995       0.79092327       0.09110158       0.07415257
Li      11.13959997       8.44970004       1.65826004       1.93204027      -0.06300251       1.12466125
Li      11.77055418       9.82594004       6.11980999      -0.67883840      -0.88817740       1.68097719
Li       7.16719003       6.12408001       9.36010000      -2.71459181       3.66079606      -0.87700703
Li       3.11092003       0.09969336       9.02772004      -0.13336588       0.45682588      -0.24864477
Li       2.45952000       4.06147995       5.09456005       0.58471319       0.44653238      -0.17711352
Li       4.99603999       6.33128005       5.40105996       1.51409462      -0.30148973       0.15850834
Li       3.65493005       0.23050897       5.19119001      -0.10963477      -0.24172984      -0.05239088
Li       9.58656997       8.50156999      10.12890005      -0.09251299      -0.04860675      -0.24721556
Li       0.71943399       6.19216001       4.55024002       0.43607100      -0.77757554      -0.72146552
Li       8.42218998      10.40510001       7.84992000       0.82435269      -1.10615199      -0.44339240
Li       5.78008003       9.65271995       3.27520000      -0.45238921      -0.59710998      -1.37528657
Li       9.33655995      11.32329999      11.18579996      -2.05839331       0.08145246      -0.12484301
Li      11.69110000       5.71294996       7.96358998      -0.07958232      -0.03937068       0.32984073
Li       9.75975002       1.79729000       8.82134996       0.02731337       0.18244384       0.54299306
Li       9.61309995       5.21560995       6.17433996      -0.73678549      -0.06942617      -0.06563014
Li       7.57312003       3.57398996       3.22833995       0.17919986       0.60857528       0.43558560
Li       2.34254997       8.56170998       3.81202002      -0.21515612       0.06692981       0.27012010
Li       7.95106994       7.06707999       1.55779006      -0.15530890       0.44701832       0.53636235
60
Lattice="11.77414789 0.0 0.0 0.0 11.77414789 0.0 0.0 0.0 11.77414789" Properties=species:S:1:pos:R:3:forces:R:3 energy=-470.52385207 stress="-0.01614325712547559 -0.004847212610131728 -0.0005297980690644217 -0.004847212610131728 -0.027578408489032424 0.006244808568610966 -0.0005297980690644217 0.006244808568610966 -0.017147705741881215" free_energy=-470.52385207 pbc="T T T" config_type=melt 
Cl       4.61428997      10.87710005       9.12129002       0.19734007      -0.22127207       0.30770787
Cl       3.75426005      11.49630002       0.94473102       1.14705594       1.14586560      -0.06218085
Cl       0.53608402       5.29185003       8.33837995       0.38653614       0.11710658       0.45795358
Cl       5.77539003       9.63911999       5.73891996       0.14059667      -0.29042963       0.56069011
Cl      11.63089996       3.59904994       1.87370999       0.62232312      -0.49892024      -0.32333474
Cl       4.59232000       3.86346999       9.99329001       0.56394410       0.33841991       0.20186845
Cl       9.37105997      11.58499997       6.98334001       0.38455501      -1.31130664      -0.94192138
Cl       1.50028995       9.68149997       3.33774004      -0.38679482      -0.20228303       0.10513579
Cl       8.72346005      11.23930004      10.27500004      -1.79611998      -1.08546203      -1.16081207
Cl       3.69138999       5.41864995       1.60009999      -0.87734596      -0.02546653      -0.86659635
Cl      10.72670003       8.25785997       9.62717994      -0.37609067       0.15917374       0.28250065
Cl       1.63049000       9.31119996       7.77082999      -0.86971409      -0.66330974      -2.13315907
Cl       2.30460000       8.35554995      11.05819999      -0.22676321      -1.55457635      -1.24671870
Cl       6.09260006       6.25782997       4.60928996      -0.93686372      -2.60614487       1.13213123
Cl      11.39249995       2.19126005       6.25003996      -3.02203492      -2.64062576       1.60214418
Cl       7.05923005       6.98955994       9.26631997       0.08799790      -0.47895540       1.40031492
Cl      10.34060005      11.66620003       1.28324001       0.01850064      -0.05023596      -0.92942683
Cl       8.69130002       8.22568004       6.71094004      -0.27889420       1.82908160      -2.40085646
Cl       6.63309997       3.19398004       2.00179000       0.43081399      -0.61969531       1.94530618
Cl       7.44914002       0.01259551       3.09086995      -1.06311750      -3.99024710       4.33961290
Cl       5.46885998       8.26162004       2.00347005       0.18869064       0.47670959      -0.65994210
Cl       0.94094798      11.76619999      10.43640006       0.81741520      -0.24625173      -0.66424907
Cl       8.03905003       3.17848998      11.32570003       0.50976629      -0.14008693      -1.21800689
Cl       6.39210000       1.29567998       7.22322002      -0.06926424       1.35442074       0.18925192
Cl       8.58347002       4.46457002       7.29339995      -0.55657438      -0.34108958       0.66405152
Cl       4.15959004       6.60106004       7.95143000      -0.39050630       0.69018289      -0.17946593
Cl       3.44115002       3.20144003       5.77232004      -0.30242191       1.69857717       1.23215050
Cl      11.64399999       5.47968996       4.49069003      -0.06544936      -0.05378417       0.58251116
Cl       8.72554996       6.48520996       1.41384003       1.25070336      -2.16167712       1.29407712
Cl       2.61845004       0.70490199       4.67833003      -0.39031453      -0.80327712      -0.34806760
K        5.74396000       2.40513003       4.52410000       0.18454756      -0.56912459       0.75437338
K        3.06499002       1.71127997       9.02101996      -0.16330736       0.29994822      -0.56435397
K        1.51272003       1.14146996       1.23331997      -0.93946358       0.83344565       0.78566028
K        2.69689000       7.40875999       4.94289996       0.15944235      -0.53052658       0.08417882
K        6.34361994      11.48650004      11.26249994      -1.02907081       0.35474944       0.55091217
K        7.95453001       8.45399996       0.16919804      -0.80339692       1.78302806      -1.43855780
K       11.66599999       8.96323998       0.83319004      -0.47051867       0.17646926       0.25227151
K        4.80865996      10.75889997       3.33258002      -0.48752165      -0.23836762       0.73201514
K        1.37247003       6.01564999       0.02962741      -1.06348073      -1.95552644       0.41561999
K       10.76179994       0.13625998       3.90407996       0.11245131       0.13292219       1.12408454
Li       2.60585994      10.78010003       8.58025003       0.16456489       0.80630029       0.87037409
Li       3.95432002       6.87890002      10.20389996       0.52375658      -0.08780367      -0.21332701
Li       0.93652903       7.48063999       8.71765999      -0.36596209      -0.56091763      -0.01769801
Li       5.29226001       4.70122004       2.56413001       0.56338971       1.12739044       1.29420826
Li       8.96171005       6.91294003       8.04281999       0.89459584      -2.27697207       2.11757005
Li      10.55469998      11.65650002      10.43419994       2.20766894       0.66828753       0.69667674
Li       7.13264998      11.14559996       7.07275996      -0.24584647      -0.95473092      -0.32963681
Li       6.41012999       7.82039998       7.39021995      -0.55735948       0.25773042      -0.97086693
Li       7.81523996       1.17673000       1.87883999       1.90055331       4.33853014      -4.43177343
Li       9.17776001       1.75703996       7.17950002      -0.31784223       2.27656322       0.28334950
Li       9.72695996       9.78191003       7.90779995       0.39654983      -1.05802574       0.91906941
Li       9.70185995       4.64182005       5.49834998       0.92706770       0.41572575      -0.47672130
Li       1.63598005      10.68879999       5.50499001       0.22836369      -0.21995250      -0.12724650
Li       6.81802003       7.81216997       3.72327003       0.69228019       1.65465607      -0.77052256
Li       7.04465000       4.28436999       9.53420998       0.30074063       0.25100775      -0.32322742
Li       9.80095000       4.27916004       1.16645000      -1.03631230       0.57878168      -0.34105471
Li       4.43993003       4.53366002       7.38872004      -0.18414875      -0.36565176      -0.28865484
Li       3.06226995      10.01919996      11.59050003       0.71225768       1.30977707      -0.33041289
Li       0.78884695       3.35684995       5.50952000       3.10604824       3.27962233      -1.80121468
Li       5.80511999       3.45568003       0.20472300      -0.54801671       0.44822353      -1.61776504
60
Lattice="11.77414789 0.0 0.0 0.0 11.77414789 0.0 0.0 0.0 11.77414789" Properties=species:S:1:pos:R:3:forces:R:3 energy=-473.75049737 stress="-0.014704572095326383 0.006135477457592422 -0.0006314072286829865 0.006135477457592422 -0.012773294163898961 0.011123371074470744 -0.0006314072286829865 0.011123371074470744 -0.009169794409223227" free_energy=-473.75049737 pbc="T T T" config_type=melt 
Cl       6.11155997       0.23264197       8.01131002      -0.29407193       0.51624647      -0.12873636
Cl       9.59963998       6.33851997       1.67520998      -0.11490113       0.38422694      -0.77315618
Cl       1.40841003       2.22729001       4.76378998       0.13701375       0.57812898      -0.23376253
Cl       4.90974997       0.24552501       2.43636002      -0.34176319       0.24561955      -0.17267873
Cl       2.34921001       9.24705005       1.13112002      -0.32152060       1.35129636      -0.04913083
Cl       1.35973994       1.93843001       0.77805300       1.01119452      -1.24431107      -0.02795706
Cl       2.08420997       7.29232003       7.23954005      -0.73308871       0.68991697      -0.25863251
Cl      11.76495075       9.23194994       4.43283999      -2.07708867      -1.43316752       1.13827896
Cl       7.56302994       6.11422999       9.86444998      -2.05658445      -0.46559098       1.65708113
Cl       4.57035003       5.27067999       7.69199995       0.73385034      -0.50083702       0.17616951
Cl       5.98844995       4.18246003       4.50327000      -0.53233701      -0.04555997       0.48488342
Cl      10.93270005       7.56376994       8.87518996      -0.15248151       0.33385325      -0.69811775
Cl       7.90716002       8.54553996       4.46285006       0.99825949      -0.79855681      -0.08899039
Cl      10.69880001       9.20564002       0.19304905      -0.19280781       0.26575216      -0.45949269
Cl       9.59325003       3.53292998       3.83857002       0.30058869      -0.59368477       0.00983723
Cl       1.71628999      11.25120005       9.33587999      -0.50738264      -0.01599469       0.55239674
Cl      10.39620005       0.97438397       6.93326998       0.58833776      -0.75051833       1.30233403
Cl       9.55611001       1.59887995      11.61019995       0.89950433      -0.06614229      -1.32840241
Cl       4.88290997       6.60093005       0.67166003       0.63220324      -0.23186488      -1.05112788
Cl       8.21375000       6.10693002       6.48132002       2.02291731      -1.38560745       1.28475526
Cl       7.21034994       9.90894001       2.00820997       0.07975734       0.90224609      -0.79078707
Cl       3.05725004      11.15480004       6.26298999       0.08512563      -0.42790260      -0.19162030
Cl       0.73844795       3.10685006       8.41194000       0.82526261       1.75845863      -0.63697137
Cl       5.20834000       9.32204996      10.44569998       0.19024719      -0.35401385      -0.34780223
Cl       6.00195996       8.73719000       6.81279996      -1.13824336       0.02139860       0.75837809
Cl      11.05030001      11.19670000       2.75178002      -0.39089050       2.03097426      -1.27985581
Cl       2.23426996       6.46157995       3.18108994      -0.20674277      -0.22951893       0.84011646
Cl       1.23915995       6.29944004      11.30280002       1.82694002       1.39771962      -0.54563064
Cl       8.03659005       0.07260434       4.34076003       1.37541187       2.05521706       0.78516278
Cl       6.14302002       2.86866999      11.49980000      -0.56752291      -0.16397177      -0.06281163
K        8.30207001      11.25019996       9.63096003       0.59725255      -0.37736683       0.41291962
K        3.43382003       4.24988998      10.04390000       0.02007237       0.15829649       0.52362831
K        4.60935001       0.13213902      10.74879999      -0.45929256       1.50221398       0.43824345
K        3.84375005       2.95121996       2.54766999      -0.36083722       0.39501514      -0.25939032
K        6.63361002       5.22940996       2.08927003       1.44098780      -0.03522632      -0.48703396
K        0.12385214       4.16286997       0.15847897      -2.29359452      -0.83737992       0.47962121
K        5.41865996       1.48794004       5.09842998      -0.35960669      -0.49859679       0.58709482
K       10.81039998       6.17415004       4.16133002      -0.01817743       0.16565245       0.73350326
K        7.97945000       1.63549001       2.06263997      -0.43189516       0.14461670      -0.28563882
K        7.48070003       2.99720001       8.38692005      -0.07118001       0.67950710       0.28863504
Li       3.07827997       7.23430998       1.18633995      -1.50449058      -0.01350750       0.29589578
Li       8.66548002       8.67255005       1.42249003       1.20470970      -1.30545003      -0.49817465
Li       5.65931000       7.51738004       9.14302004       0.46159890      -0.58809672      -0.19108604
Li       5.33325005      10.07250000       1.29546004      -1.34608453      -0.40188718      -0.25361170
Li       1.14221998       0.59065213       6.30861999      -0.23848778      -0.11528332       0.14906635
Li       0.86516097      10.98800005      11.66387087       0.03209634      -0.39411192       0.45319761
Li       0.99363400       8.74447996       8.67194003       0.36871116       0.18873068      -0.00867769
Li      11.10214487       7.15132001      10.94250003      -0.50202290       0.43868533       0.89175470
Li       1.21146998       3.98699999       6.34050003       0.07494315      -0.24732728       0.06217749
Li       9.45511996       1.87573997       5.37832997      -0.49308355       0.32476911      -1.28452518
Li       6.61923002       6.86568001       5.59406003      -0.58199948       0.52346504      -0.59133523
Li       0.16772297       1.58950997       2.70095997      -0.26217201      -0.31236831       0.27839273
Li       1.77965998       8.92157999       4.91429997       2.99222290      -0.55819438       0.91416197
Li       3.77162998       6.55856997       6.24426003       0.25916451       0.18977880      -0.59269869
Li       6.84427002      10.41410005       4.87832995      -1.40440305      -1.98361534       0.63206009
Li       9.08538005       6.51495004       8.80353002       1.07608732       0.32913537      -2.18783845
Li       9.67476999      10.03829998       4.19480004      -0.38174314       0.28121289       0.09819779
Li       4.57822999      10.17059996       8.22804994       0.08087500      -0.05587984      -0.68321465
Li       0.24275208       1.52023995       9.47233000      -0.58531341      -1.70006985       0.85104014
Li      11.70330225       8.84628996       2.24189996       0.60647543       0.27947041      -0.63009425
60
Lattice="11.77414789 0.0 0.0 0.0 11.77414789 0.0 0.0 0.0 11.77414789" Properties=species:S:1:pos:R:3:forces:R:3 energy=-468.28555079 stress="-0.020107809608352515 -0.004104754534937726 -0.003292171088706976 -0.004104754534937726 -0.027850180373821618 -0.0018445994290718839 -0.003292171088706976 -0.0018445994290718839 -0.010778320464679697" free_energy=-468.28555079 pbc="T T T" config_type=melt 
Cl       7.33387005       0.43418195       3.02163996      -0.28460701      -0.60369941       0.23044049
Cl       8.45760003       6.83972002       8.41056996       0.30775774       1.84963281      -0.38634768
Cl       5.87676003       4.45487001       3.82388000      -2.26558020      -0.95856755       0.85952655
Cl       4.71400005      10.42670004      10.74370002      -1.63077608       0.36872688       0.12283870
Cl       9.82708001      10.96670002       6.78670998       0.49737733      -0.31148361      -0.86129543
Cl       4.29041001       1.16323000       0.98863705      -0.26741448       1.09407009       0.17335781
Cl       4.09579005       2.24732996       8.53752000      -0.18454501       0.68621755       0.91723933
Cl      10.97439996       2.23053002       8.70882996       0.44919196       0.22307487       0.03000703
Cl       1.50433001       5.31462995       8.10760995       0.25747675      -0.56774841      -0.27249048
Cl       1.18389999      10.89019997       3.35874005       1.00088171       0.82174631       1.73131062
Cl       5.06628997       7.55262995       7.93622003       0.01606193       0.59808613       0.68001380
Cl       8.68232000       4.44083005       2.09525000       0.18076624      -0.30753385       0.06562603
Cl       1.76913001       5.95152999       3.16348006       0.61408119      -0.56810020       0.52721347
Cl       6.78873996       8.65048000       3.90143996       0.54352826       0.69061008       0.87746552
Cl      10.64049996       0.81625199       0.38205202      -0.44609931      -0.62112652       0.54001552
Cl       3.83699004       7.86014997       4.84041001      -0.36758487       0.79484852       0.93439604
Cl       0.23701395       5.69018994      11.72300005       0.54537926       1.17613026      -0.45534279
Cl       9.09756005       6.07104995       4.93236999       1.44058312       0.97700845       0.93877390
Cl      11.73289999       2.54893006       4.96108996       1.41687713       2.02418205       0.41928951
Cl       3.82336995       4.85061996      11.54349999      -0.68636600       0.91600089       0.18014937
Cl       1.33876995       8.45108998       9.67896006      -2.11534277      -0.64949621      -1.09253187
Cl       7.53729000       2.09251004       0.11023205      -2.00536266       2.34944081       2.32461951
Cl       5.89096000       6.86018996       1.43509001       0.10253889      -0.08762712      -0.75433262
Cl       9.82439998       7.64136994       1.32477002      -0.15823643       0.57642751       0.97016525
Cl       7.46915996       1.89618001       6.86089994       2.38597122       1.34032648      -0.42422833
Cl       6.33668003      10.85339999       6.98985006      -3.24307645      -1.59687371       1.84701390
Cl       3.05535005       0.76117005       6.01192995      -0.26892991       0.16190914      -0.49446359
Cl       1.13718994      11.51360001       9.72681996      -3.91125442       7.07809031      -0.35119875
Cl       8.94707996      10.56080005       9.99059997      -0.21674805       0.59118890       0.34950774
Cl       7.19429000       4.53009999       9.84446996      -1.91194995      -1.00143291      -0.26380186
K       11.69700002       3.28407006       0.83282704       0.07659730      -0.90838615       0.68022506
K        9.37018997       1.99128004       4.08024005      -1.45849400       0.13825387      -0.43350095
K        4.18206995      10.74810002       2.93650004       0.27950317      -0.21454375      -0.01914125
K        0.95115499       7.71147004       6.12413005       0.31348432      -0.07149391       0.30340337
K        6.98151996       9.21302994      10.83830000       0.31232002      -1.87939684       0.58284762
K       11.37549997       9.97700000       1.62908005      -1.02037977      -0.21421550      -1.83812936
K        4.87312000       4.97407002       6.66183996      -0.14045826       0.15642247       0.44238580
K        9.30589995       4.45108003       7.53648995       0.42836126      -0.86658249      -0.17197515
K        9.06982004       5.70399996      11.30940002       0.72315269       0.22072964      -0.37489049
K        3.61740996       2.47062997       3.61689001      -0.27538811      -0.04911463      -0.28092175
Li       5.03042003       3.28596004      11.09839999       0.80522479      -1.66413556      -0.83770721
Li       7.81917994       1.78764003      10.09160002       0.81185816      -0.42861455      -3.74617936
Li       5.45861000       6.37650997      10.66040004      -0.03375140      -0.49600418      -0.22630343
Li       3.79913004       6.87217004       3.04831005       0.42108091      -0.53547676      -1.01942158
Li      11.65449994       6.37437002       2.54637000      -1.36938807       0.15472649      -1.13703838
Li       5.58053000       1.54907001       7.05244001      -2.27014967      -0.92698727       0.13878143
Li       5.61180002       9.06689004       5.76548997      -0.36398504      -0.61559828       0.32067184
Li       7.76357005      11.43619994       5.97795000       2.90789576       1.37347023      -1.94365951
Li       4.91864004      10.42730005       8.66275996      -0.14164952      -0.30266587      -0.55891099
Li       1.90124996       6.73747002      10.17010003       0.47938712      -3.37780104       0.65275226
Li       0.28275204       0.58842799       5.01518004       0.72110482      -2.24795302       0.14004674
Li       8.32409002       0.51085496       0.89092304       1.13067232      -1.70036182       0.99813549
Li       1.89174999       2.53971996       9.64210003      -0.13445154      -0.28463095      -0.20537166
Li       7.92788994       7.46804000       2.55278997       0.29924774      -0.02522146      -0.51159557
Li      10.58350002      11.46529998       9.24191004       1.27484422       0.94925149      -0.68719088
Li       1.46899002       2.51318998       6.79335001      -0.14766192       0.01984804       0.23773511
Li       2.06477003      10.12819996       9.78570001       5.70790109      -3.16290119       0.77771781
Li       7.63098997       5.33075994       3.81201001       0.53043210      -0.00317815      -0.61536375
Li       6.11758998       4.08787006       1.69746995       0.56709981       0.03463453      -0.56884523
Li       8.69729000       7.99639994       6.24327995      -0.22900945      -0.11610191       0.53850728
60
Lattice="11.77414789 0.0 0.0 0.0 11.77414789 0.0 0.0 0.0 11.77414789" Properties=species:S:1:pos:R:3:forces:R:3 energy=-474.49963272 stress="-0.015078379896679116 0.0016597449653660556 -0.0016081069256356484 0.0016597449653660556 -0.013145239186853076 0.0013478354458335137 -0.0016081069256356484 0.0013478354458335137 -0.014141876929078204" free_energy=-474.49963272 pbc="T T T" config_type=melt 
Cl       3.68402997       9.53523998       8.98839003      -0.40297660       0.46165200      -0.43211504
Cl       2.88326005       6.53854002       5.47089997       0.30310469      -0.56832745      -0.23949221
Cl       5.88021998       0.11519002      10.38159999       2.64616819      -0.89641668       0.91452651
Cl       9.63483997       0.04645207      10.78320005       0.29093670      -1.16929603      -0.49640335
Cl       3.63862003       2.88441003       2.55669004       0.23797558      -0.66303165       0.68673243
Cl      11.17919996       9.28008996       6.26109000      -0.09798303      -0.54674850      -0.01664579
Cl       1.10348998       6.23299005       9.22991996      -0.10972762      -0.45175335       0.54182662
Cl       5.67243994       6.61214999       3.28201005      -1.01433467       0.77615118       0.59921714
Cl       6.97210995       8.45393002       6.04705000       0.37314122      -0.39900621       0.87901914
Cl       8.15488998       2.68402004       9.12691995       0.68951922       0.72985888       0.99105930
Cl       1.10828994       3.12928004       4.65652996      -2.04975538      -0.50968060      -0.98859161
Cl       9.33052004       7.77879002      11.52409996       0.63868234       0.32354982       0.01299677
Cl       0.81439897       0.86261305       7.04052999       2.75861768       1.78937155       1.45110489
Cl       7.44807999       1.14770002       1.63676998       1.32178386      -2.25071912      -0.48630306
Cl       9.12922003       0.42418299       7.26135001       0.88023327       0.14039074      -1.08741850
Cl       4.47133003       2.72421003      10.92699995      -0.90781282       0.82303258      -0.08940202
Cl      10.56930004       6.85117002       3.31048006      -0.17296098       0.29337775       0.56578107
Cl      11.48109995      11.48490005       3.54114998       0.41424790       0.08781169       0.16308985
Cl       2.06905994       8.16982996       0.60188302      -1.21763041      -0.71094027       0.42645445
Cl       5.33884996       0.81777297       7.33313005      -0.73245485       0.22808319      -0.69642490
Cl       5.13236001       7.51245997      11.15429999       1.08839746      -1.25351569       0.75791471
Cl       8.35137001       9.52887005       3.11152004      -1.69321918       0.37275252      -0.91330796
Cl       7.08973003       4.73908004       0.44878495      -0.08503052      -0.53793803       0.84796326
Cl       3.44715001      10.86960004       4.97633996       0.20639130       0.82672404      -1.76605511
Cl       8.49649004       5.29986999       6.44802002       0.15417402      -0.74227013       0.59333565
Cl      11.31889999       3.52545999       0.36975216       0.08197619       0.33449643       0.26229961
Cl       3.97718000       3.53228004       6.73748003      -0.10522858       0.71859788       0.12099952
Cl       6.42131001       3.63890001       4.46201998       0.77551539      -0.89455347      -0.40392679
Cl       4.38806997      10.75289998       1.29346997       0.31341066      -1.44839031       0.31001330
Cl       1.35145000       0.34389696      11.11569998       1.27403477       0.20181363       0.63836006
K       11.47370001      10.32609996       0.75827903      -0.46466110      -0.53975912       0.38336647
K       10.32250001       3.92611999       3.44158001      -0.19667444       0.27561167      -0.32352210
K        7.34674002       6.50714002      10.09340005       1.06856428      -0.54821122      -1.25310012
K        4.08076000       5.95595000       8.89326999      -0.40930246       0.00867606      -0.42445410
K        8.79292999       0.61063404       4.15372004      -0.39169844      -0.21109434       0.35961571
K        1.18441005       3.85822001       7.27546004      -0.53425965       0.64716294       1.24182207
K        3.56180996       5.34910995       1.26835996       0.19682316       0.33545499      -0.48652353
K        7.02349998      10.62849999       8.15202003       0.21910541      -0.94977470       0.16813854
K        2.28139999       8.87915997       3.51423004      -0.48554830      -0.61798698      -0.12751780
K       11.27230003       8.66908998       9.21810001      -0.04128061      -0.15481544       0.12019037
Li       6.73955004       6.78135003       1.64170005       1.39136763       0.01394268      -1.99962465
Li      11.24299995      11.39279996       6.75909995      -3.15312374      -2.03201417      -0.88906660
Li       6.22086998       8.74169997       4.12203004       0.04604267       0.31624684      -0.62593585
Li       3.79205001       8.91471001      11.40710001      -0.92939292       2.04197471      -0.31220674
Li       1.24629002       0.99215199       4.83988005       0.21777808      -0.85152555      -0.47669310
Li       9.98229001       9.16328005       4.21886004       1.67614965      -0.27969171       0.50741839
Li       3.42608005       0.75595705       1.57789995      -0.54285987       1.32061533      -0.22054820
Li       6.60253004       2.44132000      10.49469998      -0.50072413      -0.29832323       0.50841353
Li       6.45521002      11.02800000       0.42648095       0.45076328       0.03586367       0.69849402
Li       7.91055004       3.20569002       7.15744999      -0.19807917       0.03436951      -0.86716838
Li       5.37257995       5.50611998       5.06113996      -0.39148694      -0.04028033       0.92384753
Li       6.57232005       2.80408997       1.86705995      -1.70858401       2.88871927       0.42045745
Li       8.88421002       7.03426002       5.36923997       0.09536278       0.60210369      -0.49015871
Li       3.23861996      10.84200002       6.92373998       0.28665691      -0.09464098       2.21615070
Li       0.37785207       0.32199798       9.36003995      -0.86630067       0.33878079      -0.68843668
Li       2.81381000       4.07670004       4.85527004       1.74462922       1.35097748      -0.21513436
Li       9.86943998       2.04955995      11.23389994      -0.17017789       0.87137900      -0.03500506
Li       4.91632995       2.16552000       5.26914005       0.11969535      -0.58888552       0.22729350
Li       0.23172394       5.67659998      11.73509999      -0.33286081       0.30221542      -0.52991985
Li       4.19995005       0.59222798       9.60675003      -2.05511908       0.75783285      -0.95680042
60
Lattice="11.77414789 0.0 0.0 0.0 11.77414789 0.0 0.0 0.0 11.77414789" Properties=species:S:1:pos:R:3:forces:R:3 energy=-471.16520355 stress="-0.027725493746013852 0.004299163856579476 -0.0026549188552483466 0.004299163856579476 -0.011178738565700085 0.0007887677822742077 -0.0026549188552483466 0.0007887677822742077 -0.012158684090817063" free_energy=-471.16520355 pbc="T T T" config_type=melt 
Cl       6.56889001       9.09875995       8.27570004       0.19787567      -0.09887096       1.23588026
Cl       4.02567995      11.39600005       9.48903999       1.43178629      -0.34097564      -1.21372413
Cl       7.14330994       0.25181900       6.21261995      -0.41410509       0.31260774       0.50279456
Cl       2.28844999       9.02121000      11.29090001       1.56444454       0.17506368       0.56820733
Cl       1.74765997       5.19356003       3.79957004      -0.70903197      -0.70796918       0.18358112
Cl      11.16699994       1.53460005       5.35496994      -0.84634748      -0.52634748       0.23808699
Cl       5.84286002       3.84686997       0.50092994      -0.78015322      -0.76484853      -0.02988151
Cl       3.69660005       0.84852104       3.02363002       0.55675709       0.48349615      -1.41446181
Cl       2.51394000       5.59464002       0.48707801       0.14308488       0.43121687       0.49181150
Cl       9.11772999      11.20760003       9.68390002      -0.84232773      -0.73254480      -0.13814538
Cl       7.39320999       1.00170000       3.00151994      -0.24605737       0.18462148      -0.32407241
Cl       9.97285998       8.67534994       0.46811104      -1.57671533       0.84539670      -0.91877448
Cl      10.46700001       5.67112995       2.42281998      -0.73701686       1.39854402       0.50367495
Cl       8.07546005       5.86249000       6.48489995       0.55509259      -0.84956072       0.29209036
Cl      11.26360000       2.82309003       1.94553006      -0.72973936      -2.89144528       0.52431302
Cl      10.76209995       9.53530003       7.11913997      -0.12974455       0.10302872       0.28406044
Cl       2.31721000       2.35409004       5.33238995       1.27574582      -0.23649300       1.25184087
Cl       9.29210995       2.31449005       8.29187995       0.33612881       1.24290943      -0.48916658
Cl       3.33500996       9.88180001       6.28639005       0.16147494      -0.47842256      -1.08355715
Cl       4.05426004       5.60107000       6.31384995       3.05421441       2.22501674       0.14997671
Cl      10.98930003       5.34186002      10.90089996       0.13052567      -0.04974217      -0.21748813
Cl       0.10708305       5.62000001       7.27693004       0.02782156      -0.17915477       0.20597943
Cl       1.10858995       9.33086997       2.84316001       0.43044049      -0.01126016       0.16663920
Cl       6.27865997       8.15972998      11.36549995       3.13194469      -3.28939828       2.99057782
Cl       6.44082001       8.27281996       5.20903998      -0.09793091       1.87218878      -1.76070805
Cl       2.83729001       4.51908998       9.44712002       1.67001723      -0.68564871      -1.01147719
Cl       0.51138303       0.28506401      10.20539999       1.01069569       0.08246506       0.92854177
Cl       6.63183001       0.25988606       0.03492165      -3.19247714      -0.22731193      -2.54715612
Cl       6.28480996       4.31602996       3.82984997      -0.00453020       0.12154903       0.11681258
Cl       9.41999003      10.13710004       3.88507001      -0.41800468      -0.34068340      -0.57522570
K       11.48359995       7.78096000       4.76623994      -0.40878738      -0.72831191       0.94072264
K        0.56313395       0.04227225       1.57313001       0.04643427       0.15629287      -0.01167490
K        8.28554005       5.10385998       0.29758405       0.69758944       0.42747756      -0.01807045
K        1.14142004      11.06519995       6.29227995      -1.75245348       1.60612325       0.16614582
K        4.41694995       2.21308002      10.14889997      -0.06536867       0.62310332       0.48501851
K        9.12417999       2.94591005       3.99225997      -0.35084406       0.90050598       0.10897910
K        0.27586605       8.14519997       9.83849999      -1.42187958      -0.14543065      -1.03548358
K        5.34502997       2.78819004       6.62811997       0.03238738       0.14996031      -0.68898034
K        3.33645995       7.26692001       3.15865996       0.58397842       0.24044892      -0.20376569
K        8.92008997      11.69800000       0.62432596       3.33003619      -0.41179095       1.58397998
Li       6.26864994       6.26280996       5.24714995      -0.32034285      -1.59415489       0.35144844
Li       8.41831005       8.30785005       2.56377996       0.34551827       0.31037924       0.28636769
Li       6.01217003       1.66079996       1.32361003      -0.06873897       0.45947937       0.92866110
Li       2.62435996       4.41918999       6.29234000      -3.24496277      -1.61543027      -0.31419418
Li       6.92684000      10.98469999       4.19528996       0.44604021      -0.39890538       0.39418156
Li       9.68182000       4.44681002       7.17345000       0.37286710       0.38077163       0.30558512
Li       7.70621005       1.28053996       9.16257996      -0.14809582      -1.37382712       0.33835012
Li      10.69470002       0.67768498       9.00857999      -0.48108956       0.32280044      -0.79886538
Li       9.36327996       0.02276355       5.96940997       0.38058369      -0.54810260      -0.04318165
Li       5.19063004       9.37289002       6.70644997       1.63628606      -0.45033967       0.31000319
Li      11.23210003       7.79481005       1.73112000       1.39268795      -0.95935253       0.77315503
Li       0.44316998       4.35613000       1.23380001       1.15031056       2.50450424      -0.92486019
Li       3.76290004       6.44512005      10.35939995      -0.27214482      -0.46455006       0.53612329
Li       4.92473999       9.08706999      10.67059998      -3.67779276       3.37373892      -2.37408425
Li       7.94138005       8.99390999      10.25310000       0.34129986       0.54042640      -0.95357810
Li       2.46146003      11.18919998      10.64090005      -1.20407580      -0.63651842       0.66917334
Li       0.69169104       2.92744995       4.04982001      -0.02740321       0.57874205      -0.20143997
Li       3.31059003      10.94320000       4.18159004      -0.11750755      -0.64041625       0.45248804
Li       4.70921998       3.38099001       2.56987002      -0.48906669       0.36699021       0.32452351
Li       0.98077804       5.25629999       9.51366998      -1.65933388      -0.04204084      -0.29775808
60
Lattice="11.77414789 0.0 0.0 0.0 11.77414789 0.0 0.0 0.0 11.77414789" Properties=species:S:1:pos:R:3:forces:R:3 energy=-474.515697 stress="-0.009125803279228578 -0.0010249644943514584 0.0014818211794992632 -0.0010249644943514584 -0.012026600506989499 -0.0006967195535799445 0.0014818211794992632 -0.0006967195535799445 -0.007439113188437808" free_energy=-474.515697 pbc="T T T" config_type=melt 
Cl      11.47610005       1.57012995       1.78484002       0.31839638       0.32235364       0.00860591
Cl       1.71137004       8.37495999       4.22553999      -1.04499518      -1.05644938      -0.37940043
Cl       0.57704404       4.04399004       7.09390997      -0.74661166      -0.48645556       1.18200964
Cl       4.20054995       2.59386998       6.87614005       0.95268297      -0.44934605      -0.48820775
Cl      11.00060003       5.24161999       2.76622996       0.22159327      -0.07252000       0.57471750
Cl       2.92435995      11.22559999       6.86446998       0.47639534      -0.11324906      -1.29616495
Cl       2.50844995       2.80209001       4.24210998      -0.97057477       0.37176624      -0.80518218
Cl       9.87419003       9.66191003       4.30807994      -0.20248715       0.74490230      -0.04880080
Cl       2.74714996       4.43183000      10.51030002       0.92280952      -1.95210570      -0.53658202
Cl       7.44659998       1.30375999       7.52556001       0.18712097       0.10803778       0.44400307
Cl       6.69503999       3.87333001       3.61323002       0.23985821      -0.02588327      -0.45409648
Cl       3.63888000      11.38200000       3.08387999      -0.22954663       0.59227154       0.14019832
Cl       6.95120000       7.62695002       3.19809005      -0.60330658      -0.96895685      -0.58860979
Cl       6.58846994       5.00443001       7.78079999       0.97890593      -0.19735996      -0.12852258
Cl       8.41493004      11.06690002       0.69067599       0.24091107       0.13607549      -0.13222104
Cl       0.41181801       9.33514999       8.04721999      -0.18604878      -1.71781293      -0.48472306
Cl       6.12265004      10.59100003       5.08013001       0.01003833      -0.13660654      -1.66613626
Cl       6.43444996       2.62364998      11.22189997       0.35467620      -0.31543659       0.96524850
Cl       3.63358999       5.71659994       2.25314003       0.07203476       0.27039536      -0.15857578
Cl       5.51018006       9.77944004      10.99729997       1.06509243      -0.00353011       0.50914712
Cl       8.28632997       8.81820002       8.67065005       0.60004133      -0.32088576       0.24030743
Cl       3.17419995      11.66747293      10.80909999      -0.78851976       0.88828575      -0.18403550
Cl      11.72124841      10.31770004       1.19206995      -1.22885896      -1.70558310       1.21234366
Cl       3.41967998       5.88409002       7.39619003      -0.90653460       0.44258975       0.12419684
Cl       1.92985996       8.54181003      11.32619996       0.33990080      -1.08393974       0.09621127
Cl      10.11350005       6.45326999       6.21615997       0.32030458       1.26553081      -0.63394261
Cl       9.69463003       2.31569996       4.58892999       0.08469506       0.00835603       0.36075469
Cl      11.44869996       0.28471703       9.73984005       0.49844402       0.97438832       0.22741485
Cl      11.45219995       5.87405998      11.44880004      -0.20417703       0.75609225      -0.75887428
Cl       7.49416000       6.72264001      11.69320003      -0.06827185      -0.41620328       0.55262849
K        3.86950000       8.27387999       9.27258994      -0.08326700      -0.09588011      -0.35822058
K        9.77513000       4.38871001       7.76939001      -1.46155277      -1.10177191       0.74247323
K        4.15724004       8.94926996       1.70889994      -0.48003106      -0.92630212      -0.37899039
K        0.69447798      11.73650005       4.17413005      -0.14131322      -0.29033233       0.07127741
K        4.17588005       2.39469001       1.71545002      -0.07235039       0.25187472      -0.43821813
K        5.32269995       5.67493006       5.34243000      -0.14524634       0.36689668      -0.30904081
K        6.31785999      10.43059999       7.62893997      -0.68656322       0.06444282       1.51686510
K       10.39509999       3.35846995      11.41039996      -0.25114210      -0.60481763       0.24404571
K        5.57204002       5.07712996      10.40160003      -0.17273574       0.62380202      -0.21916038
K        9.95106002      10.98900002       7.64421999      -0.63230343       0.29355540      -0.81874103
Li      10.00020002      11.45982194       2.24393006      -0.04286642      -0.03948380       0.11801565
Li       8.86854004       5.01613999       3.73776000       0.51051357      -0.29743321       0.19562634
Li       0.23218702       2.86519003       3.65406994      -0.80282772       0.79394883      -0.21712670
Li       1.84633003       6.04236000      11.14160004      -0.97404649       1.97682886       0.76335592
Li       3.00620005       9.84359997       4.71019005       1.29175051       1.08640864       0.88308102
Li       7.11234994       2.48106999       5.50847999       0.40105569      -0.06432369       0.20859924
Li       3.33746005       3.54095005       8.45777004      -0.81583977       0.90474621       0.73802881
Li       1.19364004       6.66485002       2.44581996      -0.04370847      -0.18405210      -0.12667142
Li       7.59152997       8.97066005       4.48548998       0.85001385       1.41539283       1.07596131
Li       6.51027006       5.96950004       1.92935002      -0.30304231      -0.42530444      -0.41337069
Li       1.06627001      11.58439996       0.18667205       1.55720632       1.37259953      -1.26009314
Li       0.29915802       6.95601999       7.87331995      -0.01386631      -0.05688786      -0.21125576
Li       1.81306995      10.80340001       8.62331998       0.03211455       0.81321952       1.29783984
Li       6.06023999       1.39407995       9.58298003      -0.06966668      -0.33376952      -0.74301113
Li      11.14679998       8.07812995       5.07363998       0.28396260      -0.23877831      -0.04655379
Li       3.72382000       1.31254998       5.15567000       0.30337781      -0.98624949       0.46194394
Li      10.43800004      10.89760002      11.15469996      -0.59569943      -0.43365489       0.69190346
Li       8.91739004       7.97844001      10.62629999      -0.01837214      -0.08860562       0.03660059
Li       2.13649002       4.31248995       5.96881997       1.79274504       0.34507454      -0.77912788
Li       6.30160001      10.81949998       1.23935999       0.07973284       0.00013505      -0.61974755
60
Lattice="11.77414789 0.0 0.0 0.0 11.77414789 0.0 0.0 0.0 11.77414789" Properties=species:S:1:pos:R:3:forces:R:3 energy=-467.85499514 stress="-0.014769066021063738 -0.0015285994179450209 0.0022111570996655003 -0.0015285994179450209 -0.012682976337436267 0.006913922863553496 0.0022111570996655003 0.006913922863553496 -0.025401383394097272" free_energy=-467.85499514 pbc="T T T" config_type=melt 
Cl       2.87980999       7.60586005       5.66354999      -0.64218366      -0.55068716      -0.12455669
Cl       3.79711995       2.56480997       8.39645005      -0.81469368      -0.59899780       1.67942196
Cl       3.61915995      10.10420001       7.99977006       0.15725428       0.15143925       0.64842546
Cl       2.95585002      10.74419995       3.94122999      -3.74013487      -2.77038345       4.28859677
Cl       1.04986003       1.94081004       4.89209004       2.44222629      -1.74415753       0.65739505
Cl       8.99233002       1.74154000       4.98524003       0.43554783       3.39976177      -5.40142197
Cl       2.69625997       1.67163005       0.33040896      -0.11146143       1.63896974       1.70505940
Cl      11.52909997       9.79899997      10.95829999      -0.72078377      -0.46827932       1.46677374
Cl       1.56360001       7.00633999      10.01720000       0.00008753      -0.03084876       0.46660379
Cl       4.65000002       5.81488005       7.90250005      -0.94687344       0.87693782      -0.39566915
Cl       7.25525995      11.08019998      11.20660005       0.26596290      -0.13331566      -0.33073972
Cl       7.74303994       5.60374003       2.73000997      -0.08805203      -0.34468658       0.97729543
Cl      11.41770004       8.88658004       7.20653005      -0.76515554      -1.48396536       1.55761971
Cl       0.30323305       5.07403995       7.83592996      -1.52361847      -0.83100047      -0.61590769
Cl       3.64022001      10.43259995       0.50637796      -0.15170383       0.39209464      -0.44866236
Cl      11.22379996       0.59765304       8.57532997      -0.32363286       0.33868684      -0.24457961
Cl       5.77350004       1.71065005       1.87104997       0.01258336       0.09305463       0.17037194
Cl       6.76244004       8.02020998       6.92247002      -0.51632754       0.08106752      -0.94638818
Cl       2.81710005       4.65568999       3.20403999       0.10332083       0.29050330      -0.23852161
Cl       8.38105005      11.21129994       7.54246003      -0.85075819      -1.49844028       1.34223362
Cl       5.31695004       0.74671104       6.28360005       5.25557954       0.15082516      -2.23607108
Cl       5.93445995       5.13151004       0.03251666      -1.12532430       0.56642403      -0.60794020
Cl       5.24376005       8.10998997       2.28005997      -1.31535385      -0.25182423       0.78718100
Cl       6.92896994       2.61500999       9.79837005       0.58620621       0.40011632      -0.39694084
Cl      11.01119994       5.15135996       4.22962997       2.14095908      -0.67769270       3.87875507
Cl      10.97460001       7.71233002       2.46144001       3.26314902       0.34724953      -2.27437757
Cl       8.94484994      10.45970003       3.78544000      -0.36112056       1.55564497      -1.06345873
Cl       8.70131994       6.67376999       8.81293003       0.41835078       0.37879039       0.38331303
Cl      10.16690005       1.79526002       1.12613002      -0.32613020       0.12337088      -0.16779599
Cl       9.80436003       5.88621997       0.51628002      -0.01559613      -1.46535758      -1.97888632
K        7.57163001       8.35942000       1.13994003       0.87617508       0.19060977      -0.33821146
K        9.68823997       4.12898997       9.02553994      -0.19984204      -1.20285359       0.32960214
K        7.27782005       4.77800997       5.84437005       0.27316846       0.12880251      -0.28288092
K        3.84001000       3.92628000       6.17165004      -0.72083544      -0.48060288      -2.28725754
K        1.83358004       0.63595905       9.97635996       0.01441265      -0.83459466      -1.35344632
K        9.76150001       8.14682999       4.37888001      -2.36665722      -1.21324761       4.33089572
K        4.28428003       8.01148003      10.72040004       0.11527187       0.28704843       0.39578018
K       11.76960001      10.47640001       5.28176006       0.60916426       1.93034142      -1.34122652
K        0.43525398      11.62177994       1.87069004       0.29576754      -0.08308769      -0.07082844
K        1.65460004       4.46907999       0.01249178      -0.00497344      -0.03544110       0.34428674
Li       7.97529996       4.47492998       0.42901604      -0.07298794      -0.37260194       0.36668284
Li       8.95868998       1.05204001       6.56383996       0.23834410      -1.36020725       4.66379812
Li       1.13459998       6.48252004       4.37382996       0.53086215      -0.40083091      -0.14168145
Li       3.68266005       8.73363998       3.90939999       0.78607392      -0.47388039      -0.49948572
Li       9.35779003       0.19381401       9.94303006      -0.53787830      -0.23755977       0.13744048
Li       6.01070003      11.18035395       8.51679997       0.16773010       0.18232628      -0.51341926
Li       8.60072998       8.98675001       7.28522999       0.61281601       0.10739293       0.51043433
Li       5.47493002       4.86937995       9.38137000       1.39815960      -2.03690070       2.31431805
Li       4.80608001       4.14613996       2.01804998       0.25437497      -0.27704649      -0.07456566
Li      11.22330003       2.84658004       4.50570996      -2.57247040       1.10970820      -0.44614508
Li       4.60450000       7.80586997       7.20946005      -0.29960628       1.35361792      -0.53703998
Li       3.81083001      11.69459350       2.77475998       3.59966246       3.46994604      -4.74855470
Li       3.68880003       0.73620897       6.93181999      -4.74169377      -0.35117018       1.91991370
Li      10.90649998       6.99568003       9.39460002       0.46421022       0.18553532      -0.71478902
Li       8.22863995       0.48679202       1.94559999      -0.25261792       0.21589973       0.06516194
Li       2.11625002       5.75987005       8.15596001       1.42075994       0.94636499       0.40113201
Li      10.02650005       5.27281006       2.70510000      -2.43264453       0.39246650      -3.33956402
Li       0.25611904      10.19960004       9.03647000       0.01009669      -0.10837773      -1.51829114
Li       4.55366995       0.84150106      11.23949996       0.95935947      -0.17700004       0.80179336
Li      10.79599996       7.68741004       0.42249104       0.83347445       1.21004297      -0.91098061
60
Lattice="11.77414789 0.0 0.0 0.0 11.77414789 0.0 0.0 0.0 11.77414789" Properties=species:S:1:pos:R:3:forces:R:3 energy=-472.87035506 stress="-0.005323275417501337 0.0004596447111007551 -0.0037201140826932733 0.0004596447111007551 -0.024686237432581568 -0.0016654777041170516 -0.0037201140826932733 -0.0016654777041170516 -0.024440873204383238" free_energy=-472.87035506 pbc="T T T" config_type=melt 
Cl       8.71794998       7.84522000       2.86100997       0.20466525      -0.49451869       0.00856279
Cl       6.41656997       4.10425001       2.07506005      -0.09582843       2.27843505      -1.49035367
Cl      11.66220000       9.23490996       0.70616100      -0.18364764      -0.13533416      -2.32329264
Cl       8.06775999      10.78130005       0.54269603       0.55157314       0.05422951      -0.01396114
Cl       4.66143001       8.77654003       1.48827996       1.16058129       0.90961717      -0.52128332
Cl      10.53839997       4.87342001       2.07742006       1.32877732      -0.74709848       0.32580159
Cl      11.08790004       3.28526996       5.25721002       0.23011864      -0.15190416      -0.98599260
Cl       3.67013000       1.33261996       2.37001999      -0.05689138      -0.90848440      -0.56866677
Cl       2.42548000       6.96459003      10.69609996      -0.16680518      -1.01045985      -0.34303291
Cl       4.66369995       4.20622002      10.80189998      -0.12397376      -0.38053748       1.04676781
Cl       6.96156997       1.55474997       3.81681999       0.03428831      -0.23769850      -1.60678267
Cl      11.55000002       8.11208000       8.76091997      -0.94055655       0.11843072       0.53919513
Cl       0.41519896      11.70189995       9.46306999      -0.17681423      -2.46163880       0.73619048
Cl       3.23228005      10.08600000       5.00713995      -0.01048254       0.94656103       0.08602007
Cl       5.49198005       5.36845005       4.99758005       0.42603895       2.57956979       1.38828022
Cl       6.35126996       8.33262004      10.14310003       1.59302503       2.53589137      -1.57487849
Cl       2.31586998       4.25335994       1.96176001      -0.54691627      -0.55109357       0.29141024
Cl       4.13389002       8.30702998       7.90642002      -0.80988875      -0.80090872       0.00649233
Cl      11.15020000      10.36319994       4.21995998      -0.62397199       1.06348381       1.40927425
Cl       8.74591005      11.58409996       8.21924994       0.05686903      -0.50751231       0.27474225
Cl       6.44185001       9.82194001       4.77963998       0.13241729       0.16847458       0.30830766
Cl       5.03965002       0.27316800      10.21000003      -0.46922638       0.14277647      -0.32936894
Cl       2.05996995       5.38281003       7.82683997      -0.40534360      -0.72647324      -0.56289703
Cl       1.49854996       6.70016999       4.07858002      -0.16273635       0.33569130       0.59604819
Cl      10.30629996       1.77156996       0.47380195      -0.51972146       0.05190316      -1.70997810
Cl       8.39217003       7.40776001       6.73741998       0.31782694       1.32224977       0.88802267
Cl       3.99042003       2.71246002       5.55548003      -0.12540566      -1.26663445       2.47992615
Cl       8.15150998       4.34460994       7.83197997      -1.17946227      -3.34800536      -1.36291149
Cl      11.30590004       2.80774996       8.49106003       0.10572441      -0.16041300       0.11401346
Cl       9.47057000       5.91828003      10.73270002      -0.97025960      -0.38414249      -0.34565485
K        0.94841503       9.06735995       6.47797004       0.27357064       0.03402372      -1.15804016
K        6.95288006       1.91671000       0.78889004       0.49054595      -1.16003156      -0.78516105
K        6.95009005       1.61269997       6.30420999       0.41191213      -0.00010153       2.56590549
K        0.31332903       4.74458999      10.54129994       0.02778716       0.09179681       0.32692308
K        9.23467000       5.52103005       4.95804999       0.14835017      -0.37555148      -0.38341749
K        4.93158995       4.93491003       8.23964995       0.27804736       0.31880856      -1.12802162
K        2.89279004       6.90196004       1.48102002      -0.76495167      -0.68017888       1.43194784
K        2.03414006       1.81833994       9.98729002       1.29104233       1.34171833       0.27699205
K        2.93948996       9.55218003      10.68639995       0.37484475       1.38556526       0.10661610
K       11.36789999       1.45054005       2.78046997       0.62386534      -0.11901750       1.61791778
Li       6.42888997       7.80083994       5.92570999      -0.65195291       0.08508266      -0.60008182
Li       6.28701997       3.84913002       4.01668003       0.67978833      -1.90706654       0.44767405
Li       3.86679995       3.13685000       1.00837994       0.68251904       0.16509071      -0.07715552
Li       3.78140994       4.29473995       4.46593006      -1.34503007       1.73601014      -1.58584397
Li      10.15449999       7.71636997      11.46290088       0.52578487       0.95735443       0.45023809
Li       4.85855998      10.09380002       7.23749995       0.20765075       0.73185807      -0.95218848
Li       1.93358000       7.37519001       8.68270996       0.12648437      -0.10507239      -0.32557048
Li       0.66005214       4.74003999       3.51568002      -0.45979162      -0.00404773      -0.13925532
Li       0.27095105       4.18570004       6.91844997       0.44930931       0.15977719       0.53769861
Li       7.84222996       9.76698994       2.56148000      -0.44785560       0.30019665       0.42478714
Li       9.12856998       9.27200995       8.24333997       0.09878853      -0.23484709      -0.29863702
Li       6.92049997      10.98970000      10.50379999      -0.14925024      -0.57006413      -0.45025151
Li       4.18507000       1.02484997       4.46522997       0.21501188      -1.30767847      -0.71388163
Li       4.13938996      10.23300000       2.93565995       0.17896385       0.34030772       0.54884280
Li       8.80650005       5.85980996       2.01803997      -1.36689574       0.28114535      -0.74755076
Li       5.81122995       6.82631998      11.09789994      -1.04787199      -2.53124755       1.80901752
Li       0.13514697       9.53237003       2.60712001       0.65830191      -0.73877806       0.96914592
Li       8.54054996       6.03626005       8.48067006       0.84325737       2.56261613       1.59008158
Li      10.27989997      11.54310002      11.21050000       0.08093480       0.03767070       0.08597960
Li      11.08920002       0.43218399       7.81699996      -1.00713453       0.97020445      -0.60471151
60
Lattice="11.77414789 0.0 0.0 0.0 11.77414789 0.0 0.0 0.0 11.77414789" Properties=species:S:1:pos:R:3:forces:R:3 energy=-472.88697169 stress="-0.01230599075285171 0.004040654504599797 -0.00742384500908578 0.004040654504599797 -0.020933939182842934 -0.005952275901540855 -0.00742384500908578 -0.005952275901540855 -0.014366362429197671" free_energy=-472.88697169 pbc="T T T" config_type=melt 
Cl       1.25046996       7.92272003       6.94384999      -0.62446182       0.19870705       0.61750325
Cl       8.65216005       8.33632995      10.92449995       1.13941205      -0.18280999       1.32115966
Cl       6.96304998       6.43452002       5.17315002      -0.79541922       2.00926612       0.54431148
Cl       4.81623003       6.63370999       0.95855705      -0.06788150      -0.21738811       0.52641920
Cl       9.33837999       6.30256997       8.08471005       0.32201848      -0.95674430       1.17616372
Cl       8.66537994      11.46960002       9.09795001       0.46970341      -0.69858865       0.80319596
Cl       3.31014002       6.58382999       4.46241995       0.09091752       0.38420288       0.09257384
Cl       9.54599001       9.35201999       2.47352994      -0.23069526       0.43373359       0.05946284
Cl       1.62313999       9.72176002       3.19754997       0.01288122       0.13070944       0.04786986
Cl       9.25414998       4.20507004       4.60916998      -0.72097139       1.15526143      -0.18056351
Cl       8.27337994       6.15518001       1.88147999       0.26010459       0.46502961       0.56534740
Cl       6.98428995       0.41533895       1.14257002       1.08760439      -1.19343782      -1.08789394
Cl       3.33748995       1.44051001      10.86819997      -0.06773417       0.23796102      -0.42570644
Cl       0.46083202       2.08329995       3.16311000      -0.27983287       0.03472274      -0.26157289
Cl       5.61510997       9.57644997       2.66096001       0.43845395      -0.24559659      -0.04305037
Cl       9.52914003       1.09152003       5.07787997       0.42363873      -1.27058615      -0.54382981
Cl       6.21847005       3.41373003       7.75130999      -0.84471395       0.87762555       0.03786584
Cl      11.20420001      11.43060004       0.43508997       1.02006861       0.01185787      -0.22535776
Cl       6.00221004       3.21588997       4.14361994       0.20623591      -0.12261536      -0.12198069
Cl       3.94407003       2.69488004       1.82944002       0.98885263      -0.61260784      -0.77269850
Cl       1.64807999       5.88059004      10.91300002      -0.49261259       0.75261267       0.67298829
Cl       6.61598000       5.01420997      10.87109995      -0.67723606      -2.33486537      -1.75908826
Cl       4.64369002      11.72606404       7.21882003      -0.22751098       0.17491752       0.10974373
Cl      11.46099994       6.64813002       3.19679995       0.19142490      -0.14634838       0.15284062
Cl       1.13013005      10.90219995       8.90024994      -1.58894285      -0.55262755      -0.26793971
Cl       9.46429002       8.88645005       6.73911004       0.34016100       0.98122559      -0.68661785
Cl      10.02060003       3.18270995       9.52294000       4.31902258      -4.30059074       1.05602031
Cl       4.68232006       7.90074994       8.66092001      -1.59155711      -1.12256999      -0.64385583
Cl       1.82957001       2.75364999       6.84829995      -0.03391858      -0.18929846      -0.94275826
Cl       3.35502001       9.27176999      11.41249999       0.13594094       3.07186888       2.01804711
K        3.57655001      11.42599999       1.66476997      -0.21972429       0.50983153      -0.15239458
K        2.36129994       4.53579997       2.73019000      -1.15567793       1.00759018       0.49085276
K        6.96176000       8.97796002       9.07112002       0.53574108       0.65075628      -1.37033113
K        8.34232994       1.84213997       7.46724995       0.26960158       0.01190465      -0.62074889
K        7.69354001      10.36140003       4.40772997      -0.18744613       0.55183685       0.78845139
K        5.93883004       0.13244598       9.99756002      -0.42289290       0.51366914       0.06345046
K       11.67695583       8.27058994       0.57425004       0.31843255       0.09144716       0.33958434
K        0.41132597       2.09691004      10.88549997       0.23889885      -0.35563587       0.42047846
K        2.33536997       3.99438002       9.12186001       0.90098533       0.11681517      -0.04115854
K        1.78871995       0.38436305       5.33290001       0.05224541      -0.62087340      -0.06911639
Li       3.09922994       7.71323004      10.42390003      -0.06043459      -2.76227921      -1.81887772
Li       9.37525003      11.26130004      11.30579996      -1.21883511      -0.10921711      -0.66515440
Li       4.72440004       4.51268002       0.34861403       0.19953653      -0.31020157       0.00073170
Li       2.77821004       0.24265212       9.18693996       1.22215067       0.15067138      -0.74780238
Li       7.55877005       8.81790002       1.21567995      -0.06281198       0.07324798       0.53788258
Li       9.82378996       4.87975003       2.55424997       0.67652257      -0.08058437       0.77784942
Li       7.67220996       6.33507003      11.74670000       0.67091655       1.54548555      -0.29872303
Li      10.54909996       0.28077504       2.36623001       0.07134497       0.27925729       1.17957001
Li       7.83634006       5.73024995       6.79942005      -0.20276701      -1.24516844       0.34165309
Li       6.66726996       5.87560004       3.30273997      -0.96786051      -0.91743661      -1.05783634
Li       6.22358003       1.96361997       2.14653996      -0.83646763       1.55177112       1.10772039
Li      10.75959994       3.01215000       5.13888996       1.29006849      -1.02873235      -0.02619210
Li       8.82614004       4.37804005       9.23956004      -4.93191111       4.69696646      -0.75981729
Li       4.55568003       2.77887999       5.79130997       0.36269153       0.01631128       0.68885803
Li       4.12457997       7.17965003       6.48043001      -0.05430764       0.15934353       0.10105086
Li      11.21730004      10.10260002       7.62069995       0.06173093       0.16407580      -0.29287040
Li       1.18814999       8.04464004       4.71811994       0.52035222      -0.54185718      -0.37628104
Li       9.96646002       8.15355997       4.39060000       0.07529847      -0.55957477       0.10688304
Li       3.96238001       8.35922996       1.97801999      -0.65337415      -0.20077317       0.11667278
Li      10.88850002       7.63681005       8.80269995       0.30504070      -0.13167398      -0.60298441
60
Lattice="11.77414789 0.0 0.0 0.0 11.77414789 0.0 0.0 0.0 11.77414789" Properties=species:S:1:pos:R:3:forces:R:3 energy=-469.42835086 stress="-0.018177730970420615 0.003196603997031686 0.004253903047590894 0.003196603997031686 -0.011287554764698761 0.00446212721318471 0.004253903047590894 0.00446212721318471 -0.02512298087329574" free_energy=-469.42835086 pbc="T T T" config_type=melt 
Cl      11.56950001       3.54049004       6.91080997      -1.11156351      -0.75817887       0.20709093
Cl       3.74887998       1.83661000       4.58706002       1.14421608       0.06011798      -1.44542950
Cl       4.02700996       5.34113002       5.97206999      -0.70687161      -1.41950613       1.10641966
Cl       7.78898997       3.74364001       5.40956996       0.05693808       0.58559537      -2.00550816
Cl       7.41216001      11.32910005       9.51715995       1.07879183      -2.56207083       4.52154988
Cl       6.87400998       1.14806996       2.04233003      -2.42049311      -0.34285807       0.58510783
Cl       0.63651102       3.15040004       3.09951005       0.25564133       0.23979150       1.40859932
Cl      11.61570000       9.44961002       9.70351999      -0.09243036      -1.56218930      -0.09892882
Cl       2.94997001      11.51520000       8.01533995      -0.30118614      -0.71725136      -0.45246402
Cl       5.75371006       3.94423004       0.76888600       0.12016870       0.15950435       0.77591537
Cl       6.91096998       7.23206995       7.90003996       0.55267703      -0.16797398       0.30672281
Cl       3.97823001       4.93178999       9.84001003       0.02680769      -0.29304694      -0.50407959
Cl       2.22139999       7.60189004       1.01162996       0.14360549      -0.06643484       0.15005333
Cl       5.32080996       9.46661000       2.52430996       0.97140139       0.65595984      -0.22593714
Cl       1.86637999       8.37885005       5.29001997       2.26620251      -0.35395686       1.64205382
Cl      10.78260004       1.16916005       9.10830996       0.07241098      -0.07160491       0.49608350
Cl       1.03681003       2.63891999       0.35916602      -0.24098109      -0.49603128      -1.26687392
Cl       7.19162999       3.20347001       8.10193999       0.40389450      -0.58712025       1.73410911
Cl       5.63899995       6.42658000       3.28143006       0.04884412      -0.40436979      -0.55493569
Cl       1.30276001      11.13670000       3.09917001      -0.04548638      -0.90204071       1.13456785
Cl       9.97885996       0.00768828       0.80604604       0.07997296       0.12237592       0.02017643
Cl      10.62759997       7.44419994       6.77166002      -2.12907553       0.34436043       0.21892304
Cl       1.65766003       7.07210001       9.33070996       0.89019319      -0.44538179      -1.88395380
Cl       7.38905996       8.84452996       0.29221904       0.26223244      -0.26996592       2.50628351
Cl      10.26259997       0.17301604       4.99834996      -0.13066949       0.10988978       0.20382525
Cl       6.80691995      10.83910005       6.21405004      -0.20114509      -0.07826815       0.05393517
Cl       9.16725005       4.50834996       2.23887000       0.14411944      -0.33069440      -0.52045614
Cl      11.03460000       7.31700994       3.54088000      -0.75277820      -1.42207442      -0.28267217
Cl      10.56960005       5.78756002      10.56069997       0.07875235      -0.22157866       0.17568256
Cl       4.90703002      10.33530004      11.29690000       0.24215667       0.47218916      -2.01256525
K        4.30460998       8.12681994       8.54388004      -0.62632877       0.05958006       0.21096776
K        7.93634001       2.23803003      11.46260005      -0.03946273       0.40814836      -1.16224689
K        9.76946004       8.40288003       1.34565005       0.92926917       0.15062563      -0.13922559
K        2.68050004       4.76133000       1.58403004       0.73711114      -0.17900694       0.07838224
K        1.86113002       1.42423001       6.07255999      -2.89256045      -0.17944527       1.13055495
K        2.91584995      10.36170003       1.12919000      -0.99220645       0.18970273       0.16194643
K        4.25871000      10.41899998       4.59552999      -1.05919265       1.28723754       1.98420640
K        0.93243398       5.85019001       6.66683997       1.98804643      -0.02228941      -0.45860932
K        7.71387997       7.51744998       4.93420004       0.71238286       0.23590179       0.24628680
K        9.41723005      10.15429995       7.81476004       0.13007407       0.05990032      -0.85960455
Li       8.76489999       1.35522997       2.38121003       2.78912330      -0.25614994       1.16277414
Li       1.08021001       3.64849995      10.28109999       0.30330424       0.43970223      -0.95145546
Li       4.43821995       6.98690004       5.02649005      -0.22440877       1.28545459      -1.00886475
Li       7.17924994       8.57457995      10.23540004      -0.35292883      -0.27584172      -3.41250270
Li      10.53070003       4.30647995       0.41927305       0.32692795      -0.06434975       0.36437941
Li      10.82590005       4.28896002       3.81644004      -0.69535807       0.40575044       0.52759552
Li       0.62895296       1.09807999       2.25593003      -0.73642798       0.81659103      -0.41015294
Li       6.99630005       0.53486304       8.10776996      -1.31579377       2.94710005      -4.67104389
Li       0.74269794       7.39553998      11.08390001      -0.68433480       0.19519476       0.64914856
Li      11.34439997      11.25009999      10.33109996      -0.50672450       2.19115916       1.20121416
Li       9.78341994       2.24764998       7.59690004      -0.29709665       0.13090618      -1.02159719
Li       4.10943994       0.03781444       9.62103996       0.87223886      -0.00763474       1.09335436
Li       5.35005000       4.75023004       7.65040000       0.11120217      -0.17803692       0.78381886
Li       0.40791206       8.91082995       4.07530998      -0.60866541       1.67373466      -0.78248162
Li       4.88705000       7.86295999       1.33028997      -0.08221158      -1.15704687      -0.52268695
Li       0.51040896       8.34564001       7.72645005       0.62590372       0.55211050       0.53606832
Li       6.75193998      11.01049997       0.91639594      -0.22712446      -0.61756695      -0.09673169
Li       5.61025996       2.20470001       4.00468994       1.55137487       0.09859124      -0.22526639
Li       6.99627003       4.33906997       2.94502004      -0.19902138       0.41128632      -0.22604825
Li       9.00296996       5.12354000       7.74901002      -0.24345781       0.12150406      -0.17547490
60
Lattice="11.77414789 0.0 0.0 0.0 11.77414789 0.0 0.0 0.0 11.77414789" Properties=species:S:1:pos:R:3:forces:R:3 energy=-470.32307754 stress="-0.012906274278097369 -0.0012682863197600344 0.002802448963309701 -0.0012682863197600344 -0.014805453988060092 0.005948930371509763 0.002802448963309701 0.005948930371509763 -0.019137416319737626" free_energy=-470.32307754 pbc="T T T" config_type=melt 
Cl       5.76717003       1.22068996       3.18303998       0.86851084       0.24945098       1.86179923
Cl       1.64684995       8.68258998      10.20210005      -0.08829308      -0.88368841       0.75033912
Cl       2.06728004       8.17011996       6.31365003      -0.11865516      -0.08768792       0.12570015
Cl       6.14072006       8.58424994       8.76925995      -0.09929394      -0.81056041      -1.84327963
Cl       5.65307006       8.77556996       4.20555996       0.10829802       0.26437006       0.74057122
Cl      10.40440004       3.19355994       1.58519003      -0.32984465       0.36789443       0.04004260
Cl      11.66979998       5.18861995       5.17870000       0.22406242      -0.07601728      -0.58371380
Cl       0.59509204       0.45596294      10.81930005      -0.53924567      -0.05364304      -0.22912708
Cl      10.28429996       3.31571002       8.35080003       0.08712810      -0.08761533       0.48436204
Cl       1.13253998       1.53719001       3.03546999      -0.22608240      -0.51255651       0.16259497
Cl       0.80138901       6.29546003       0.95978203      -0.17769776       0.24696600       2.95384669
Cl       3.94247004       3.76276005       9.70107002       0.54890627      -1.94616227      -0.47414404
Cl       1.67009000       1.27588999       7.21623996      -0.28740066       0.21911231       0.50893862
Cl       5.00808000       6.81668001      10.92539996      -0.73648777      -0.46836763       0.55682938
Cl      11.61139997      10.37129997       4.33547002       0.14835367       1.14040648      -0.79117935
Cl       5.01809002       0.45364497       9.29687000      -1.35242891      -0.65456160      -0.26753236
Cl       7.68727004       4.91548998       5.46891002      -0.21109674      -2.31353786       2.24992975
Cl       6.67667997       4.97029005       1.87971999       0.05203532       0.31360538       0.49804834
Cl       4.24109999       4.48130003       6.35772997       0.12676972      -0.31984359       0.28108502
Cl       9.28020004       7.74153002       3.93353005       1.22275125       0.65921660      -0.53340395
Cl       3.73368002      10.82209995       1.75369999      -0.85684619      -0.90480846      -0.59977729
Cl       9.54139998       0.37817598       7.10081999      -0.50998473      -0.13382356      -0.55525718
Cl       3.53591001       6.42391999       3.89217995      -0.67574020       0.36634215      -1.01281036
Cl       6.92197998       2.11131995      11.56980002       0.10690431       0.53202966       1.58011084
Cl       1.68168000       5.11380996       8.34601996      -2.36150617       0.50174641       0.00739210
Cl      10.24900001       8.97985001       7.69993997      -0.74512218       1.93301567       1.71861775
Cl       9.61757000       7.06050001      10.43919995       0.91949815      -0.41010440      -0.65180133
Cl       7.41670001      10.44240004       2.08442002       3.56538768      -0.26034887      -0.85767624
Cl       8.74605005      10.74590002      10.78649999       0.75332989      -0.53668223      -1.13203564
Cl       3.28698004       3.25812996       1.65088000       0.14603922      -0.17735095      -0.54213652
K        3.22184003       0.20228904       4.41764004      -0.17738183      -0.09985063       0.45786231
K        7.94144999       7.25876995       0.70724198      -0.98643363       0.56640778       0.81541783
K       10.99539998       2.22337004       5.01468000      -0.24020203       0.05609294       0.42363151
K        3.39012004       9.86711000       8.40023002       0.11437817       0.38702945      -0.23256965
K        7.82269005       5.06542999       8.28454996      -0.14218707       0.22085325       0.53843774
K        5.23522003       7.32198005       6.76754001      -0.75915937      -1.10288552      -2.24099556
K        7.48802002       1.32157004       9.15370001       1.33624911       0.14600777      -1.25313313
K       11.03990002      10.09690004       1.07032997       0.01116274      -0.06363799       0.29985343
K       11.00959995       6.59526998       7.73618998       0.52830281      -1.90450938      -0.11380707
K        7.11687003      11.28990003       5.51473995       0.09617713      -0.19706972      -0.30508496
Li       0.94635797       6.36336001      10.81949998       0.04823441       0.52425329      -2.41518251
Li       3.36386004       7.58551997       1.63832005       0.39743178      -0.58908806       0.04635716
Li       2.24701995       5.52793006       6.13094999      -0.21590444       0.44806401      -0.77042294
Li       0.69118605       8.68199998       3.52731995       0.66965069      -1.25677382       0.56683141
Li       5.64839996      10.20949998       2.61588999      -2.65849379      -0.11561878       0.84594548
Li      10.65850005       9.19611002       5.77809997      -0.19444311      -0.25545707      -1.04622547
Li      10.83670001       0.82338900       8.76030995       0.37726491       0.31711078       0.08733580
Li      10.95869996       5.22879005       2.79420004       0.45933253       0.01340015       0.26499235
Li       0.42028904       1.89248999       1.04511999       0.29810280       0.18280000      -0.24477473
Li      11.70710000       9.83446005       9.93625003      -0.84261029       0.25403874      -0.87734361
Li       7.86846005       6.26172003       4.21153005      -0.64788013       1.59328880      -2.21303972
Li       8.36295001      11.74018230       0.75734498      -0.83274026       1.55125135       0.34443232
Li       8.31611998       3.87065999       1.06972996      -0.34219167      -0.79960394      -0.27128225
Li       3.13629002       1.97296005       8.79704000       0.62941425      -0.81319546      -0.33950897
Li       6.74924005       9.73896994      10.05200003       1.15036600       2.36535309       2.51362465
Li       3.90594004       4.28574003       3.56490997       0.41567347      -0.03180235       0.14458839
Li       4.40177002       3.68681997      11.60069997       1.12311976       0.32878289       2.02089130
Li       3.50907002       5.51122996       8.95876004       1.60270960       2.00918479       0.00799367
Li       0.68980706       3.23741005       8.77148998      -0.20411372      -0.41199688      -0.37593895
Li       4.61317001       1.06498004       1.54239995      -0.57607746       0.52077474      -1.12521890
60
Lattice="11.77414789 0.0 0.0 0.0 11.77414789 0.0 0.0 0.0 11.77414789" Properties=species:S:1:pos:R:3:forces:R:3 energy=-474.75095836 stress="-0.013069302602571093 -0.0007561813437241738 0.00237724504312028 -0.0007561813437241738 -0.003541755650613973 -0.0009862923534678506 0.00237724504312028 -0.0009862923534678506 -0.01989699176491691" free_energy=-474.75095836 pbc="T T T" config_type=melt 
Cl       1.75197001       1.62861003       2.35157002      -0.08807330      -0.22578719      -0.06830733
Cl       6.07448000       4.18637999       0.04685216       0.30450059      -0.31740476       0.69744144
Cl       2.35762005       9.64127996       2.47716003       0.75103956      -0.14259479       0.00245083
Cl      10.15669999      10.38250001       0.45847402       0.07143660      -0.77567066       0.60443828
Cl       8.94089995      10.02669998       9.20158995      -0.31117507      -2.47751972       2.78871564
Cl       4.48573005       2.97448002       9.20185004      -1.35895568      -0.23370607      -0.05162083
Cl       8.05889994       7.82088001       6.34034002      -1.20204626       1.72324336      -1.32960650
Cl       4.58599999       4.66488996       6.21464004       0.20964158       0.07496540      -0.33980791
Cl       2.04599003       0.64889896       5.68103001       0.80914473       0.22792427      -0.53029197
Cl       5.80247999      10.77850004       0.37300100      -0.18318954       0.06972108      -0.05604310
Cl       2.15631003       5.46087004      10.33899995      -0.41815120       0.24417988       1.67469072
Cl       5.39965001       1.78589004       3.09219995      -0.55442070      -0.08732625       0.67303269
Cl      10.65700002       2.65109999       3.89055995       0.39896438      -0.09670938       0.41588203
Cl       1.99364005      10.49379997      10.66100005       0.57573638      -0.97028441       0.88034347
Cl       5.32717000       7.16110998       3.17212004      -0.45876854      -0.02421035      -0.46246924
Cl       8.49155996       4.57895999       6.57525005       0.13211672      -0.33410184      -0.84211508
Cl       9.01393004       1.31373999      10.77450001      -0.00907016       0.46812903      -0.80027474
Cl       1.94754002       8.73442001       7.86569995      -0.25978612      -0.14548751      -1.43396243
Cl       7.08183005       0.73612102       6.43719004      -1.49799753       0.32936702       2.16328365
Cl       9.22279000       5.96190996       3.03674996      -0.57605478       0.73714300       0.08198248
Cl      10.13650003      11.60829995       6.27485998      -0.53644092       1.78154868       0.14734409
Cl       0.00000612       9.94920995       5.02800998       1.55959148      -3.22083804      -2.43890955
Cl       7.96166997      10.48700004       3.45425006       0.28908449      -1.36836245      -0.01850551
Cl       0.88248098       0.72601704       8.71275994      -1.72536713      -0.73285562       1.15012186
Cl       8.30131999       1.88006002       1.91673002       2.03976109       0.73334977       1.25840564
Cl       1.12519998       4.16855994       7.02814995      -0.18459860      -0.47641452      -0.69646666
Cl       4.44218996       7.70767005      10.41070003       0.29454142       0.24627382       0.71052293
Cl       9.75541996       5.19461005      11.41650002       0.40507977      -0.63141831       0.09779611
Cl       1.20819006       5.64467003       3.26861001      -0.33289540      -1.06268791      -1.02364106
Cl       6.94407005       6.07962000       8.98538998      -0.03840463       0.60542458       2.68537136
K        6.87846002       4.29218002       4.03081995       0.22209879      -0.09068876      -0.07040977
K       10.12670005       6.68011002       7.37271002       1.60525273      -0.37185142       0.89945448
K        2.35424005       7.41921002       4.79756000       0.74124020       0.86699467       0.85710517
K        3.66404995       3.83450005       2.05923995      -0.25313927       0.80397738      -0.08470390
K        0.85441106       7.72865994       1.07689995      -0.49914475      -0.43829064      -0.17783946
K        2.62033002       1.70939999      10.98050003      -0.10216201      -0.23600719       0.32579851
K        7.96387998       7.38215995       0.05494324      -0.26111139      -0.23987541       0.16725411
K       10.51310003       2.76253005       7.57634002      -0.39579532      -0.63205874       0.04837696
K        7.03923001       3.29061001       8.52067001       0.46457581      -0.90451158       0.24155953
K        5.53177997       9.52848998       8.36093003       0.01300928       0.05249013      -0.04913601
Li       7.97069003       0.40904897       4.71798995       1.01837113       0.20973732      -1.43742084
Li       6.57393005       1.53649004       1.07298999      -1.99044629      -0.66672941      -0.73789650
Li       8.82762994      11.08580000       7.69329005      -1.29673474       1.93024322      -1.94932329
Li       7.15201999       7.73060997       4.13560999       0.75471485       0.42420011      -0.03149319
Li       1.21824000      11.08160005       3.70617997       0.50059398       0.77595074      -0.62708346
Li      10.28070002       4.18568002       2.15869994       0.26899496       0.20817091       0.34249079
Li       7.73718996      10.50389995      11.24660001       1.04714757       0.71958078      -0.19793285
Li       1.87919003       1.84565997       7.49861004       1.23555865       1.75674845      -0.75245419
Li       4.10497000       1.84224005       5.09990999       0.54724775      -0.03806515      -0.09658956
Li      10.24409996       0.73692096       1.09766001      -0.53710240       0.37486749       0.22579809
Li       2.28898996       8.14312996       9.81899000       0.37943202       0.02170931       0.74627801
Li       1.17503005       2.49669005       4.57462004      -0.86075507       0.42656668      -0.67156701
Li       8.38720004       3.35182003       0.18305209      -0.01599597       0.25248786      -0.50960387
Li       9.76437997       9.44848994       4.90531994      -1.45662566       0.24509680      -0.27333888
Li       6.76965995       6.16070997       7.06939997      -0.39817118      -0.55505542      -2.14676507
Li      11.68049997      10.89339995      10.74270004      -0.29136759       0.19599269      -0.64117483
Li       0.42157395      10.92990004       6.68555003       0.72342458       0.77228425       1.99483786
Li       4.44323998       9.03404994       1.30999005      -0.07817989       0.14020008       0.08639244
Li       2.34253996       5.24381998       8.36758996       0.80216191      -0.08617415      -1.23391401
Li       4.77682996       5.21952003      10.23080000       0.00766408       0.16411888      -0.18650054
60
Lattice="11.77414789 0.0 0.0 0.0 11.77414789 0.0 0.0 0.0 11.77414789" Properties=species:S:1:pos:R:3:forces:R:3 energy=-469.25836089 stress="-0.028822996266754664 -0.004353174549830505 -0.0019346639688527405 -0.004353174549830505 -0.016732236890720707 -0.00425728546494092 -0.0019346639688527405 -0.00425728546494092 -0.022292541980899687" free_energy=-469.25836089 pbc="T T T" config_type=melt 
Cl       7.27028000       7.91530997       6.71873005      -0.50864631       0.32817980      -0.14440911
Cl       4.33069996       9.48629002       8.56254995      -1.46628288      -0.37744720       0.15889959
Cl       2.54951994       3.72844005       2.75452999       0.89602114      -0.22327882      -0.33959882
Cl       0.91858005       2.07001000       6.16973003       2.17052253      -1.64233163      -0.61051771
Cl       4.64338000       5.43778000       5.71422003      -3.46832622       0.18452966      -1.06995372
Cl       4.43846003       8.16331003       3.40120999      -1.34738768      -1.06257578      -0.16754703
Cl       0.05557622      10.48080001       7.01348995       1.00952576      -2.99881447      -0.41265686
Cl       3.72301005      10.70619994       5.65776994       3.10195137       1.78711393      -0.96448223
Cl       1.08633999       6.14254999       7.34353003       0.45763304       0.16484787       0.17033202
Cl       6.88235997       9.62815002      10.98129997      -0.40905566       0.07636589       1.01952735
Cl       1.62147996       6.16316005       0.28415905       0.59616655       0.44714353      -0.41344299
Cl       9.46668995       0.54393502      10.16910005      -1.29728454      -1.57334657      -0.30027746
Cl       0.26578196      11.66250000       2.66503999       0.38689522      -0.21181042      -0.03353908
Cl       8.65776996       3.78111006       9.86303002       0.25172252      -0.30226261      -0.49942878
Cl       9.63261995       0.96202995       6.55696998       1.22502814       1.32595923      -0.46261631
Cl       5.16874001       5.79512998       9.16205000       0.37178921      -0.23895692      -0.23917625
Cl       6.47646000       0.98419302       4.55640002      -0.06238395      -0.25559835      -0.47220086
Cl       7.20869002       9.71961996       3.26388999       2.34696036       1.22691892      -2.54317808
Cl      10.80770005       8.50236004       4.06181999       0.31873821       1.07518843       2.39766813
Cl      11.40700005       4.63830005       3.65875994      -0.50908625      -0.35561684       0.38400923
Cl       3.10631998       1.78703001      11.04729995       0.39354848       0.45783278      -0.71557766
Cl       6.75275004       6.08555005       0.32476302      -0.95527427       1.60264501       2.78396868
Cl       6.31254997       0.22148102       7.45470001      -0.88919931       0.36875251       3.04453976
Cl       9.69289994       7.22449999       1.66338003       0.31474713       0.10066043      -0.58803999
Cl       3.64235997       0.25658200       2.08198996      -1.50549596       0.83908089      -0.90913852
Cl       9.57876995       7.84306003       9.34580995      -0.42043167       0.76946530       2.47944433
Cl       6.46435995       3.10743005       1.63726002      -0.46558714      -0.31115909      -0.57946981
Cl      11.77039994       2.99343004       0.23738601       0.44517510      -0.72024105      -0.28790660
Cl       1.33568995       9.96367002       0.20423802       0.08739408      -0.10931967       0.82665576
Cl       7.39575003       4.42159003       5.16675995       1.78048783      -1.03376532      -0.95703260
K        1.01438005       8.22609002      10.08579996      -0.66312724      -0.85025922      -1.51260479
K        4.22411002       8.32507999       0.62798101      -0.06601143       0.06292338      -0.91359503
K        9.48866004       4.42762004       0.83056205      -0.52854356       0.45597439       0.37138067
K       10.25900003       7.54159004       6.97772998       0.27409801       0.25236757      -1.61242296
K       10.87959994       3.52698003       6.93454005      -2.19323139       2.29922055       0.58502459
K        1.96521996       9.43745003       4.93062000      -4.24342176      -2.70496054      -1.83222647
K        2.74817996       4.40712996       9.40170996      -0.77038797       0.04217900       0.20726672
K        5.85409997       2.44656997       9.94537005       0.50933018      -0.18880131       0.01468918
K        9.44791995      11.70761819       3.42354002      -0.69490829      -0.35227977       0.45190043
K        3.48632001       2.41186002       4.98037001       1.05392737      -0.08521169       0.46418158
Li       0.93577195       1.80328999       3.32265994      -0.02185127       0.74610577       0.09350706
Li       7.85638001       8.08732003       0.75824500       0.01529188      -0.14112710      -0.04244845
Li       1.86905002       0.23073397       0.29570502       0.04244161       0.46742873       0.57111576
Li       5.88514004       9.18645004       4.44451006      -1.22890267      -1.00569403       3.18278616
Li      11.38749994       0.41697403       7.66954995      -0.21373688       1.77765699       0.50965864
Li       6.39736999       9.47695995       8.90014998       0.27191317      -0.65742277      -1.02463632
Li       3.62082999       7.59513003       7.30630995       0.47202026      -0.52191434       0.19737180
Li       8.53878996      10.47969995      10.00039994       0.78429363      -0.90607641      -0.22204730
Li      10.79140003       1.86613003      10.31210002       1.53697175       2.41318111       0.92833061
Li      11.43765887       8.86117001       2.20700998       0.31791917       0.21617056      -1.96751722
Li       6.36760000       5.52744002       6.57289004       1.73165859       1.00991965       1.61800380
Li       5.09449000      11.35609994       3.15688995       2.05787778      -0.67846107       1.40378862
Li       7.22395002       5.27105995      10.46790002       0.29445274      -0.27070080      -2.68706074
Li      10.47630005       6.47782003       4.36944998      -0.52652492      -0.72520256      -0.74289987
Li       4.04149004       2.51264001       1.30967002       0.14858234      -0.15948302       0.11607160
Li       7.53385996       2.41750996       3.36813994      -0.35388587       1.01690379       0.63766286
Li       1.10288997       5.20017004       2.09061005      -0.48556354      -0.15589317      -0.07880405
Li       4.36167998       0.02832377       7.07526997      -0.39079056       0.40273291       1.88469435
Li       4.48288000       5.72683003       3.33533999       0.22081279       0.00120848       0.45019291
Li       7.94622994       0.09030512       6.51631997      -0.20056876      -1.09864452      -1.60621848
60
Lattice="11.77414789 0.0 0.0 0.0 11.77414789 0.0 0.0 0.0 11.77414789" Properties=species:S:1:pos:R:3:forces:R:3 energy=-470.74503287 stress="-0.018957864105415365 -0.0067508157712346025 0.0010992878857017461 -0.0067508157712346025 -0.01503803541832334 -0.0013156452682148638 0.0010992878857017461 -0.0013156452682148638 -0.012749180960960881" free_energy=-470.74503287 pbc="T T T" config_type=melt 
Cl      10.29140001       2.81612998      11.13890000      -1.25338955      -1.38182262      -0.95176677
Cl       8.82167999       3.16745995       4.19007001      -0.59241144       0.17617168       0.25120914
Cl       9.87377004       2.88528002       7.89082999      -0.12570670      -0.31633075      -0.68277163
Cl       7.44247997       5.22144004       0.86990501      -0.73468621      -0.76906769       1.24650015
Cl      10.80300004       0.52120397       3.00147002       0.40150184      -0.78999998       0.75579643
Cl       7.83040000       6.59296001       4.53238994      -1.21657756      -0.06821504       0.61580757
Cl       9.90032004       6.23923000      10.68199995       1.87895235      -0.60115443      -1.27584574
Cl      11.68769998       5.76847001       5.10448001       0.47611216      -0.05738377       0.47727755
Cl       1.22609995       4.05739997       9.17859998      -0.33329060       0.49999668      -0.28147975
Cl       5.07100999       2.55429000       3.20833002      -0.25677433       0.19463135       0.46248290
Cl       1.34686997       6.21923996       0.21442101       0.94013894       0.37976755       2.58970042
Cl       4.95642999       3.43540000      11.50207194      -0.04814563       0.35342468       0.62731123
Cl       2.09865002       2.66192997       6.24537999       3.13647816      -0.52376578      -0.05469415
Cl       7.61437005       0.79281896       1.56662997      -2.52290734      -1.43797745      -2.24423235
Cl       6.07555003       2.30588998       7.14705000       0.22157567      -0.45841101       0.53903807
Cl       2.57661002       7.89331998       8.68484002      -0.73585828      -0.70545630      -0.15463713
Cl      10.84809997      10.33859998      11.53129997       0.49294884      -0.55878868       0.16980614
Cl       7.81814994       8.90391005      10.88799997      -0.20031341       0.15907591      -0.29035913
Cl      11.70469996      11.06320000       7.93184994      -0.54857422       0.19781057      -0.02963744
Cl       6.22878998      10.48830003       5.22630005       1.53144236       3.31902031      -0.66147143
Cl       3.81465001       5.28464001       3.37915996      -0.38513540       0.86461684       1.39773586
Cl      10.35040003       8.02719004       3.02235995       1.12328642       0.66758483      -0.39751153
Cl       2.26155996       8.62987995       3.75232003       1.11390771       0.83566717      -0.86803776
Cl       9.62008001       7.76083998       7.75037995       5.58522427       1.17071836      -1.27162225
Cl       5.90862005       6.33621000       8.14614002       0.26602719       0.13399858      -0.83291800
Cl       4.20972001       9.47725995      11.11259997       1.58239157      -0.65084898      -2.00739044
Cl       3.03500997       0.18264506       9.34531002       1.22453782       2.25502738       0.46398953
Cl       3.35324000       0.03945211       2.12894997      -0.93948902      -0.56167519      -0.48896835
Cl       3.00845998      10.59070003       6.52820997       0.87647227      -0.36783908       0.01058409
Cl       0.74813595       3.83874004       2.08367001       0.05791554      -0.77534156       0.43270936
K        8.02936002       9.21898001       2.27914006      -0.60622543       0.43870131      -0.24958979
K        5.29821996       8.30348997       5.62783005      -1.20708644      -2.90830271      -0.19774069
K        3.09878994       5.24585997       6.40689998      -0.32621432       0.59068508       0.02678474
K        0.10996501       1.05195995       0.43528000       1.42816170       0.17434340       0.04702566
K        5.08326005       0.75085001      11.55371995      -0.18426325      -0.98631308       0.11888677
K        8.20413995       1.46582996      10.05119998      -0.27910808      -0.16112473       0.14608978
K        8.82656002       0.62325404       6.42098999      -0.08727827      -0.34179563      -0.45586301
K        3.90486000       5.13334998       9.74183000      -0.33237773       0.40950595       0.01845485
K        0.25646402       9.15847996       5.38594996      -0.97330831      -0.05484411       1.08244191
K       11.75980003       2.81873995       4.98728002      -2.61719295       0.30947957      -1.78582081
Li       9.77358994       5.97878997       3.73781004       0.36077825      -0.13513060       0.18142148
Li       0.15615216      10.32720001       2.13610995      -0.68931683      -0.52990944      -0.04939852
Li       0.88173497       1.99205996       7.73432001      -0.64754611      -0.62725978       1.71399903
Li       1.95251001      10.32850000       9.00866994      -1.13858121      -1.17684095      -0.65522374
Li       3.18275999       9.79474997       0.87861894      -1.27086314       0.49023277       2.40538795
Li       2.22785999       6.76553994       2.92193000      -0.95590114      -0.99363320      -0.71505478
Li       4.25815002       9.17670999       8.18988004      -0.15145112       0.57432020       0.49392937
Li       4.56818994       0.84494700       7.20964997      -1.46838744      -0.97305223       0.01753084
Li       4.92066001       0.48055207       3.55649005       0.43208149      -0.90299553       0.49051370
Li       2.71647995       3.23853001       3.08693997       0.03979412      -0.13727888      -0.19065066
Li       1.22185996       6.40262997      10.11070004      -0.44552152       0.20188883      -2.51013300
Li       8.84913000       1.55584002       2.70478999       2.46998444       1.12987890       1.74261272
Li       4.48455005       5.07243996       1.47471002       0.88650246      -0.47159065      -1.65729071
Li       6.90429003       4.05544994       6.48209005       0.87328067       1.28017182      -0.60116678
Li      10.60170003       4.84324004       8.47890005       0.29489989       0.48503734       0.44851233
Li      10.87930005       4.46769995       0.09177713       1.12937143       2.50002522       1.21331184
Li       8.25815997       6.84458003      11.66660000      -0.71581537       0.97938815       0.05473224
Li       7.92746996       7.42286000       8.00723004      -5.28231512      -1.11723426       1.13245119
Li      10.41860002       8.89037002       9.56646996      -0.36004711       0.24724927       0.59137446
Li       6.90637994       3.53551004       2.67862006       0.80829303       0.52296439      -0.40413295
60
Lattice="11.77414789 0.0 0.0 0.0 11.77414789 0.0 0.0 0.0 11.77414789" Properties=species:S:1:pos:R:3:forces:R:3 energy=-467.41213819 stress="-0.013817291509937381 -0.005739755698974184 0.004969389183836979 -0.005739755698974184 -0.021354552454345737 0.005245318693892653 0.004969389183836979 0.005245318693892653 -0.015634978906065935" free_energy=-467.41213819 pbc="T T T" config_type=melt 
Cl       5.78094001       4.42588006       8.95365995      -0.67716276      -2.23514383      -0.24553269
Cl       9.40608994       1.55295995       0.66775502       0.16327941      -0.56818851       0.51006679
Cl       6.00186000       6.17249000       4.58790999       0.32225988      -0.14886583       0.27459719
Cl      10.15609998       3.27037001       4.25367996       0.06665507      -0.76044096       3.40830384
Cl       0.77648398       2.23392003       1.94498998       0.78712358      -2.10742760      -0.06834699
Cl       8.57196998       8.42259996       1.49982004       2.90403131       0.84408380      -0.29238220
Cl       6.04341002       2.60876004       4.56790995       1.50154969      -1.10071727      -0.88818150
Cl       7.97404001       7.41308004       8.31015002       0.16595703      -0.95948073       0.41614789
Cl       8.95757002      11.70390003       4.65579996       1.62989103       0.57041342       0.43120261
Cl       8.37715999       3.38244000       7.08396000       0.59535716       1.47103792       1.28889306
Cl       5.41247994       3.01230000       0.11319995      -0.80570471      -0.13366318       0.42843800
Cl       6.12536998       0.19115600       8.36250000       3.03670508       2.87653573      -0.06346209
Cl       1.98409004      11.67829997       5.97299002       0.01812160      -0.24632373       0.48115403
Cl       1.75615996       9.42010000       9.88527998      -0.19754716      -0.65467786      -1.24448537
Cl       6.52542998      10.02210005       4.89964999      -0.56853068      -1.13461842       0.98706140
Cl       1.03995997       9.27028998       3.42207002       1.15097257      -0.34753254       2.86166231
Cl      11.32809996       7.11249994      10.35469995      -1.56995509      -0.28605994       1.20422914
Cl      10.73479994       6.29622994       4.17695997      -2.05678060       3.82385761       0.14428698
Cl       0.43669596       5.65937005       7.38849998      -0.03637498       1.51316931       0.06479756
Cl       0.71524899       0.93975797       8.91332996       0.09700460      -1.06346074       1.09333425
Cl       5.93539999      10.91379995       1.76778999      -1.13827658       0.15391742      -1.10667118
Cl      11.73109996       4.81791997       1.53483000       1.06111106       0.98999371      -0.14486857
Cl      10.32989994       3.33516997       9.88051004       0.98027629       1.71260108       0.01761246
Cl       3.20311996       6.02666000       0.90217901       1.13711140       1.59536088      -0.93353610
Cl       8.31646002       4.73389000       1.47847999      -0.14727778       0.06818304       0.07620578
Cl       3.70218995       6.78049005       8.22528996      -0.59984102       0.32816578      -0.18255235
Cl       9.59507997      10.20549995       8.85108004      -0.46797985      -3.75890037       0.78392283
Cl       2.79627994       3.21178997       4.71491996      -0.68945153       0.61893222      -0.02168146
Cl       0.09147795       9.44907005       1.03988003      -0.55701856       0.47714815      -3.49975054
Cl       5.06075000       7.95952001      11.15809998       0.38339402       0.62082680      -0.52716374
K        2.77394003       0.02312195       3.27223998       0.31030827       0.56417610       0.23813917
K        7.93326001      10.12240001      10.92279999      -1.27911234       0.02935003       1.24446395
K        2.89365003      10.62270004       0.16139696       0.72969132       0.40137922       0.97959379
K        3.38271999       7.73732995       4.36097000       0.53670905      -0.26217633       0.34150734
K        3.56517996       2.38390996       8.93761002       0.11825740      -0.34611333      -0.16210510
K        0.59467901       9.12640000       6.45716005      -0.00665516      -0.09061438       0.02771759
K        6.31636997       7.61405003       2.05862004      -2.11717947      -0.77494116       0.47747554
K        4.40372994      10.38819999       8.61575003      -2.97673204      -3.24902269      -0.06256515
K       11.64070005       3.10567005       7.63100998      -0.07122708      -0.39874439      -2.08934018
K        7.84587005       3.00944995      10.12590000      -1.60183281      -0.83423304       0.68047920
Li      10.63000001       1.02291995       3.46814002       0.17108272       0.02477856      -0.09417848
Li      10.14240005       3.16209000       2.38955001      -0.25759426       0.51074445      -4.04801711
Li      10.59640001       8.83052002       2.73959001      -0.24019456      -0.40294882      -0.00129693
Li      11.40200004       9.98120997      10.38539998       0.16930629      -0.25282616       0.52283591
Li      10.17450003      11.71580004       8.10412998       1.96921903       4.47140652      -1.83314776
Li       0.12990205       4.84455003       4.32154003       1.90421391      -2.65061941       0.16702133
Li       4.54705994       4.87285002      10.78080000       0.30979238       0.58041979       0.57263932
Li      11.57239999       2.58526001      11.34939998       0.14079198      -0.66674359       1.31799997
Li       2.47842999       4.50866998       1.77734000      -1.56294983      -2.75879857       1.58604868
Li      10.34239997       5.96661997       0.57781996      -1.32055537       0.64172813      -0.26889875
Li       1.65308000       7.45198995       0.36649896      -0.85935790       0.53606781      -0.09018280
Li       4.70200996       3.39682000       5.83579000      -0.57811780       0.90624617       0.26283860
Li       8.62105004       5.73757005       4.81763998      -0.60815375      -0.39671718      -0.17997632
Li       5.92896001       6.32515996       8.72452997      -0.12316500       2.73471041      -0.42341625
Li       9.92889001       5.84601996       8.89453995       0.19421850      -0.10911196      -0.26710668
Li       7.46498002      11.10140004       3.17905996      -0.02761224      -0.21648571       0.29782215
Li       8.22556995       1.80851995       5.92588001      -0.74384560      -1.16887323      -1.61783467
Li       6.49884996       3.08796997       2.41396006       0.18771833       0.33103010      -0.47330073
Li       7.96965002       9.06472996       7.01160998      -0.55012440       0.87991331      -0.93245241
Li       1.23958994       7.06100994       9.25364004       1.69420096      -0.19170603      -1.42606459
60
Lattice="11.77414789 0.0 0.0 0.0 11.77414789 0.0 0.0 0.0 11.77414789" Properties=species:S:1:pos:R:3:forces:R:3 energy=-472.25213682 stress="-0.013265785678102937 0.0001571911839995812 0.0020351113464456318 0.0001571911839995812 -0.02042385634341669 0.003733161158607764 0.0020351113464456318 0.003733161158607764 -0.014183856788930622" free_energy=-472.25213682 pbc="T T T" config_type=melt 
Cl      10.65709998       7.18580002       9.33464994       2.02726179       0.06645684       0.49493950
Cl       0.59174100       3.75504998      11.74040825       0.04463565       0.28697762      -0.56119700
Cl      11.16270002       3.87396005       7.08591003       0.23713865      -2.81083956       2.12623958
Cl       2.02774999       8.46438994       9.25247004      -0.71972125       0.55307485      -1.41001615
Cl       9.64329004      10.35149997       7.35363002      -0.08045695      -0.58367275      -0.45153836
Cl       6.54034994       6.48871995       2.00241002       0.08726594       1.38254631      -1.12236922
Cl       5.66381997       6.28208001       7.14958003       1.87311986       0.03476212       2.48359004
Cl      11.65699995       9.14457999       4.48194996      -0.52202049       0.40725754      -0.90876151
Cl       7.87301994      10.57319999       2.47951003      -0.64652192       0.26832054      -1.91456417
Cl      10.51019994       8.00436998       1.43409004      -1.04690382      -0.34501821      -0.65032588
Cl       2.03502995       2.20319998       3.19845999      -0.49689920       0.52561370      -0.11637533
Cl       5.66461002       1.21668004       5.80408999       0.01563326       0.03690382      -0.15730835
Cl      11.66569998      11.53948689       9.68645995      -0.65079761       3.18949315       0.51601754
Cl       5.05621001      11.71379997       2.26766003      -1.90111258       1.57845499      -3.68588354
Cl       7.64836001      10.14549995      10.59959999      -1.91984034      -1.63658472       2.16079503
Cl       8.44043002       4.97295995      10.43270003      -0.57841771      -0.03302213      -0.20130869
Cl       1.32876004       5.98785994       4.61898998      -1.08890827      -0.66872434       0.47865601
Cl      10.13810002       0.28407805       1.50439006       0.77356159       1.21332600      -0.41410358
Cl       1.55267996       8.93522999       0.29884495       0.13418158       1.49336863       1.86906735
Cl       8.36868001       0.97385002       8.87752995      -0.26339774       2.90818666      -0.39271281
Cl       1.73265005       0.36379397       6.89639994      -0.10826955       0.01137256       0.30987823
Cl       7.41881994       7.90686002       5.22045996       0.35149572       0.09724483      -0.22830491
Cl       2.98710002       5.07329006       8.66612996      -0.88789211       0.89627371       0.13664090
Cl       4.26098994       0.58268598      10.33259999       0.64960695       0.30928950      -0.03336612
Cl       6.74167998       3.07172000       1.73322003       0.40184176      -0.20937130      -0.42855846
Cl       9.45206999       4.82641997       4.63176999      -1.62486175       2.23508709       0.46390549
Cl       5.06991005       9.17409001       8.38436000       0.19585838       0.74349855       0.63138604
Cl       3.91826004       6.67941005      11.49850002       0.44116859      -0.65929473      -0.02613780
Cl       3.99195997       8.87589005       4.52830996       1.60877867       0.58169189      -0.82620130
Cl       4.54828998       4.41639998       3.97769994       0.57723827       1.68331367       0.62437189
K        2.04891002       8.33934001       6.11749002      -1.24458133       0.21873903       1.82708823
K        8.20806003       7.22226997       8.59449004      -1.44293241       0.86591573      -0.60583211
K        9.76987002       2.57210005      11.16089999       0.12484767      -0.45374885       0.06751723
K        7.55888002       3.99985995       7.06112003       0.32487422      -0.62580151       0.10759154
K        3.62216000       2.64684999       7.87810001       0.20496882      -1.35633070      -0.67241841
K        3.42841004       4.11354994       1.07562999      -0.12735077      -0.51616596      -0.32828876
K        4.43508002       9.39241003      11.65740003       0.48870153       0.90883861      -0.05348359
K       10.47019998       2.81357004       3.55840005       1.33233009      -1.99165055      -1.10650390
K        2.79660997       7.02057999       2.61880998       0.61239284       0.38899693      -0.93062540
K        1.85868995      11.26089995       2.78711000       0.02978956      -0.61702555       0.03541133
Li       8.97392997      10.95709997       9.49169000       2.57081525      -0.45167753      -1.30210912
Li       0.37106003       4.30339995       9.14755002       0.44257782       0.44335588       0.32584739
Li       6.82620000       5.28159004       0.13965211      -0.10092397      -0.37411015       0.25764523
Li       4.48236006       5.78887002       5.81625998      -2.46313330      -1.06621329      -2.47101757
Li       5.57547995      11.10590000       3.90894999       0.87473185      -1.08628121       3.70493581
Li       6.40139004       0.21435213       9.05397004      -0.90558878      -0.67022875       0.08304020
Li       0.64176006       7.54409005      10.83170000      -0.50154710      -1.21154207      -0.42017065
Li      11.13060005       0.25835212       7.39385003       0.42403306      -0.21289893       0.05635235
Li       0.46326598       9.76128996       9.76176999       0.02820512      -2.63877101       0.19076490
Li       8.12032002       8.58457997       0.88474597       0.16121752       0.02781516       0.10731394
Li       7.02050005       5.39074004       3.67734002       0.32977095      -0.49919950       0.67272076
Li       2.33142999       0.02332906       9.64539997      -0.77929418      -0.20905449      -0.76414372
Li       7.44825001       0.82565506       1.27136001      -0.24816884      -0.08455234       0.33081151
Li       5.54671006       8.48347996       6.45057995       0.26216394       0.00608508      -0.82069560
Li      11.22520003       7.11450002       3.26885998       0.15957947      -0.01462568       0.84698445
Li       3.78433994       7.50392996       9.22535995       1.12861916      -1.42712271       0.02061270
Li       4.12689005       2.44834999       3.60773997       0.47941995      -1.57673926       0.32782858
Li      11.06090003       5.51636996       6.16790998       0.19776200       2.41129202      -1.57783382
Li      10.54839999      10.04290003       2.27640999       0.04305175      -0.08765790       0.38882533
Li       8.05713005       9.65113998       4.09109994       0.71090273      -1.65562728       2.93537675
60
Lattice="11.77414789 0.0 0.0 0.0 11.77414789 0.0 0.0 0.0 11.77414789" Properties=species:S:1:pos:R:3:forces:R:3 energy=-471.41510437 stress="-0.015511284553378999 0.004171098468946028 -0.005189635937795854 0.004171098468946028 -0.0137082735479147 -0.0014880351198793375 -0.005189635937795854 -0.0014880351198793375 -0.02224861038241908" free_energy=-471.41510437 pbc="T T T" config_type=melt 
Cl       5.65455996       7.76162002      10.80389994       0.92472014       0.59093646      -0.22100605
Cl       1.45713004       9.25271000       3.47682004      -0.13248506       0.59712564       0.34993194
Cl       4.29830999       1.29562994      10.99970002      -0.86586916      -0.27087564      -0.05364243
Cl       2.21148003       7.10250004       8.74479999      -0.19891895      -0.42560871      -0.23909962
Cl       7.68860005       3.45184001       3.59715995       0.34432079       0.89344532       0.94435760
Cl       7.72220005       6.23369002       7.77827997      -2.79013271       1.52092894      -0.65236886
Cl       5.68059001       6.56077997       3.84554997       0.10013049      -1.06605666       0.10042962
Cl       9.10740995       3.45102994       7.68438997       0.82391075      -1.87602179       0.79320191
Cl       5.04923006       9.25235995       2.72603997      -0.82466438       1.51636284      -1.47885534
Cl       2.24195000       6.46526997       4.85694998      -0.54399884      -0.15339692       0.29425975
Cl       4.70196004       8.59579002       6.74177005      -1.24954956       0.10750506      -0.28284176
Cl       1.99479003       2.17942998       7.12691998       2.25408181       0.78865569       0.67558223
Cl       7.64929995       0.74880001      10.89010001      -0.34287904      -0.43568300      -0.52717350
Cl      10.98719999       0.88478294       9.16289998      -0.59934692       0.70580401      -0.19979211
Cl      10.54629995       2.71265005       1.13907004      -0.03535165       0.73806343       0.50497603
Cl      10.05879995       8.99281994       1.15942001      -2.64519343       1.35231297       0.13812783
Cl       5.69814997       2.83911994       6.14855999      -0.41698650       0.83541528       0.53690702
Cl       2.87912002       2.21341005       2.80520004       0.03934473       0.71737393       0.30754287
Cl       6.21744994       4.63260996       0.75474195       0.81348453      -0.69376593      -0.87088747
Cl       7.45978997       9.29228997       5.43799005       1.93074338       0.35588380      -0.22395815
Cl       1.52362996       3.14010001      11.15379995       0.27135397       0.02853552      -3.23434782
Cl       1.45779999      10.41480003       7.32151002      -0.64632001       0.31625345       0.44028397
Cl       9.97674003       5.97682003       9.83913003       2.06922961       1.57710267       5.67647598
Cl      10.62310001       5.67678001       5.73889005      -0.32160543      -0.85827615       0.61408408
Cl      11.18950293       6.45885000       1.47813995       0.70468674      -1.55253174       0.09439893
Cl       8.24700997      10.22929998       8.21488998       0.46035703       0.26887667       0.77842419
Cl       0.15799800      10.21340005      10.82250003       1.17668504       0.46008717      -0.23984270
Cl       6.78580996       0.66987496       2.15089003       0.03259134      -0.76155408       1.12097139
Cl      11.27619998       0.69151596       3.87483004      -1.04775062      -0.44489219      -2.74481341
Cl       2.96651999       7.49053004       0.68963103      -0.30562123      -0.59558930      -0.00916556
K        4.81752001      10.74280000       9.60967002       0.27104034      -0.46423950      -0.28775120
K        6.67179005       0.40225105       5.75388996       0.58261044      -1.22113810      -0.13403711
K       11.31780005       8.17186995       6.34884001       0.43128120       0.92291235       0.01301150
K        9.83063004       0.14865215       0.69054294       0.50860389      -0.91819638       0.16593665
K        2.70898005      11.37209995       1.57887002       0.13594562      -0.08318244       0.02887772
K       11.65870002       1.22283003       6.22219999      -1.76712302      -0.98557693       1.83198418
K        9.00955995       7.00416000       3.91159999      -0.78144954       0.12553014      -0.87180445
K        0.50065302       3.68440003       4.66744001       0.57823279      -0.04858811      -0.91687765
K        3.79060002       5.06575001       6.70054005       0.58752393      -0.00924661       0.19469170
K        0.61828994       4.11827997       8.50743999      -0.43969315       0.68991034       0.68180450
Li      11.10309999       8.31427003      11.07809995      -0.29099504      -1.32151411       0.17476500
Li       4.67733994       5.85244005       1.27242004      -0.46576138       0.85543908       0.72564566
Li       6.61798997       9.23863000       1.19044995      -0.08927773      -0.03777029      -0.06085487
Li       5.49942002       2.70250003       3.93890000      -0.19018316       0.35829050      -0.74323692
Li       1.30061005       0.60751801       9.21610005       1.04474067       0.17491857       0.00750709
Li      10.99340002      10.47929999       8.78992994      -0.24987071      -0.04934758      -0.09636963
Li       5.78396997       8.70231003       4.53501004      -0.85392460      -1.10645296       0.41039438
Li       8.62802999       1.70695003       2.93296002       0.78596189      -0.06103551      -0.27564627
Li       0.24414802       8.70498005       1.77568997       0.70264702      -0.62802683       0.22499636
Li       8.84025995       1.32341999       9.32128005       0.10257435       0.49965115      -0.95956397
Li       8.05895999       4.22874997       6.05831998      -0.88918758       0.29707376      -0.87819399
Li       1.34738003       3.29681004       1.24178005      -0.27755296      -0.11283309       2.75451877
Li       6.10846996       1.58464995       0.32621501      -0.24991872       0.96703806       0.08874041
Li       9.48645003       5.55488002       8.20149995      -0.04213283      -1.78343085      -4.63665176
Li       7.68252000       6.68486995      10.40779994      -0.22248316      -0.39352680      -0.34519840
Li       3.74506998       6.55881004      10.30509994      -0.34540679       0.32334912       0.34590245
Li       2.68769004       8.82171001       6.37041002      -0.76700177      -0.41805842      -0.35491900
Li       2.90660006       7.55715005       3.02260002       0.38428260       0.18674036      -0.07166195
Li       6.46209001       8.66509995       7.58030002       2.63891277      -0.30268456       0.47608703
Li      10.34910005       4.69340000       0.18496503       0.18863774       0.30757891       0.11574322
60
Lattice="11.77414789 0.0 0.0 0.0 11.77414789 0.0 0.0 0.0 11.77414789" Properties=species:S:1:pos:R:3:forces:R:3 energy=-473.58864418 stress="-0.014091506258983356 0.002889845476392062 -0.0012353196859231064 0.002889845476392062 -0.00948443390243234 -0.005817885724325257 -0.0012353196859231064 -0.005817885724325257 -0.015206281900328177" free_energy=-473.58864418 pbc="T T T" config_type=melt 
Cl       4.94369001       6.63811999       4.34202999      -0.62244783      -1.25750529      -2.87680128
Cl       1.42575994       0.16832699       2.47197999      -2.33227886       2.27014582      -0.46804235
Cl       6.08735997       7.63955001       0.20374398       0.23940633       0.64036096       0.34881027
Cl       1.63931002       0.83144900       7.00543997      -0.04390826      -0.12099383       0.62121779
Cl      10.33250003       0.90426103       1.77388994      -1.44078697       0.49057674       0.11553281
Cl       3.36213996       1.30557003       4.50791996       1.11694812       0.62826752      -0.07781779
Cl       9.83769005      10.69090003       7.84297997      -0.65574816       1.28650841      -0.13119379
Cl       5.19069997       4.06023001      11.69670002      -0.39245439       0.02259053      -0.43634995
Cl       3.21283999       9.62629005       9.53589003      -0.01986987       0.73295729       0.61915339
Cl       1.15438997       5.28008000       5.47095001      -2.26421572      -3.69370241      -2.55926840
Cl       6.64417002       9.40406997       6.37461998      -0.74800403       1.26050447      -1.60983999
Cl       3.47495996       9.33030999       2.40325005       0.62443309       0.67961759      -0.61826630
Cl      10.57280003       2.07569997       5.55945004       0.73974517       0.14418627      -0.12115540
Cl       7.24054003       2.07987002       4.91113002      -0.74710604      -0.68755175       1.30819483
Cl      10.22179996       8.90314002       2.87137004       0.82396214       0.04255459       0.03979071
Cl       9.05077995       3.40999998       8.51274001      -0.05071579      -0.19186792       0.91809558
Cl       4.97855997       7.57508996       8.06047003      -0.61116321      -1.68327964       0.52220672
Cl       1.67005997       5.34293994      10.12390004      -0.35257378       0.46725785       0.32676307
Cl       1.20072996       6.47603001       2.22793005       0.30550567      -0.18757535       0.02380951
Cl       2.53435001       8.75344998       5.88281995      -0.58041382      -0.00952694      -0.14611185
Cl       7.98718997       5.22327998       5.52259001      -0.59742157      -0.46844576       1.21596332
Cl       0.05646363       9.44346002      11.52450004       0.46190423       0.94095331       0.11530208
Cl       5.70761003       0.66750906       7.38537995      -3.70074317       1.71389099       1.85702213
Cl       7.83811995      10.76519996      10.43210002      -0.84870259      -0.13819508       0.01858296
Cl       0.66851304       1.83829995      10.41040003      -0.01609311       0.01371160      -0.70435010
Cl      10.21690003       8.17305996       6.14720997       0.17133248      -0.71335075       0.00749948
Cl       8.25770996       4.79714002       1.32277995       0.44028071      -0.43696286       0.16870941
Cl       6.17201998       0.74491195       1.92382995       0.02429224       0.14274921       0.34768362
Cl       7.85139001       7.13674998       9.16853002       0.71250400      -0.58153877       0.26024605
Cl       3.71124003       3.73874997       8.21971997       0.18491546      -1.46726672      -2.17351646
K        8.26270997      10.10309995       1.43752997      -0.69773151       0.60500983      -0.55533878
K       10.06779999      11.06009998       4.94158997       0.08195799       0.00554684      -0.16919359
K        8.50985004       6.78858995       3.49047004      -0.27162578       0.26647701      -0.32812188
K        1.49967004       3.29428001       0.95123200      -0.24812835       0.36852750       0.04137185
K        0.30310095       9.24961999       8.68538999       0.16573312      -0.19174485      -0.20360539
K        7.91696000       1.86519999      10.98560000       0.28965869       0.19796075       0.14701836
K        4.29863001       0.23109697      11.42769995      -0.15700832      -0.30738794      -0.26847882
K        4.73943998       4.17970005       3.25198998       0.21059915      -0.77372079      -0.33702911
K        3.22374003       7.48175994       0.12655207      -0.53641722       0.12878397      -0.26736370
K       10.55289995       7.16840995       0.23462898      -0.22409671      -0.97813373       0.16388060
Li       1.35548995       3.51956997       8.79805999       0.25713761      -0.12177595       0.32585800
Li      11.07339994       1.73891001       7.92231995      -0.29256867      -0.60367474       0.05577749
Li      11.60189988       8.16162997       4.54320002       0.61027651      -0.46026436      -0.45609705
Li       3.10942000       7.67294997       3.60793000      -0.66695806      -0.49088873       0.46573819
Li       0.16485208      11.38440005       1.04207002      -1.16109406      -0.83491413      -1.56453185
Li       5.38916996       7.50861995       5.90301002       0.84438864       1.84874048       3.08538863
Li       1.99095001       6.48679994       6.44235995       2.64239612       3.59319162       2.81048802
Li       1.24838994       1.90779003       4.54582000      -0.83239904      -0.13630941       0.53223226
Li       7.23350003       5.85642996      11.43989997      -0.33380395      -0.08055781      -0.28979238
Li       6.36228997       8.93417997       9.87538004       0.07858944      -0.31573797      -0.06283947
Li       7.99331005       2.42358000       3.09812000       0.90652104       0.14715129      -1.83462771
Li       5.44031003       0.69804696       4.33959003       0.71788885       0.07308319      -0.15792056
Li       3.09903002      10.46619995       7.50626995       0.11336972      -0.00254612      -0.34937005
Li       7.18364994      11.62570002       6.74513004       3.65893806      -1.98424186      -1.04271184
Li       8.30131999       8.69376000       7.22275000       1.60343335      -0.62516918       1.14495376
Li       2.98739002      11.28890005       3.10213003       3.31996885      -1.44066292       1.60989781
Li       3.84358004       1.76176999       7.37333994      -0.51234668      -0.23154979      -0.44334592
Li       9.05385995       3.46853999       6.40609004      -0.23211311       0.19836646      -0.75048839
Li       3.83864996       4.97996004       9.65402006       0.30544836       1.70593728       2.21146828
Li       6.68373999       5.14556001       8.17113995       0.53940349       0.60143397      -0.42508680
60
Lattice="11.77414789 0.0 0.0 0.0 11.77414789 0.0 0.0 0.0 11.77414789" Properties=species:S:1:pos:R:3:forces:R:3 energy=-469.74339789 stress="-0.02251186367454951 0.006318591732380371 -0.001456458083151178 0.006318591732380371 -0.028634396117384664 -0.0008490977351303016 -0.001456458083151178 -0.0008490977351303016 -0.021922232595344086" free_energy=-469.74339789 pbc="T T T" config_type=melt 
Cl       1.26548000       5.09074994       9.59781004      -0.27080066       0.13181186      -0.36363327
Cl       4.43057994      11.40520002       1.96253004       1.12685383      -1.73120492       1.62889313
Cl       5.55337999       2.63488004       1.36839005       0.47167096       0.62650002       0.48253085
Cl       4.44979005       5.02398004       3.95145996      -1.75085197       0.04248735       0.14821199
Cl       3.23027998       1.68244002       6.49497002      -0.22132911       0.29756594       2.95867703
Cl       5.52654000       8.53524994       2.86077001       5.37048719      -5.65114878      -0.27939213
Cl       6.09761996       0.65701900       4.54704004       0.10638292       0.40970882       0.12939775
Cl       0.13575899       5.26519995       5.43987003       0.84980487       0.13462829      -0.06497048
Cl      11.52330002      10.88440002       1.42134005       0.20803830      -0.04920235      -0.88134272
Cl       1.05373996       3.28985999       1.77320999       1.13084751       0.13150784       0.83561779
Cl       7.76865001      11.08469994       0.30106696       1.01127654      -0.86265871       0.28537420
Cl       3.76566002       5.79933994       0.18882295       0.76816328       1.89019581       2.30535745
Cl       0.79739804      10.50919996       7.20504003       0.41334177      -0.26009097      -0.32218153
Cl      11.53409998       7.21075002       0.92608501       4.00701338      -1.81235765      -0.28149940
Cl       8.51162994       7.40802999       0.05815216      -1.23435782      -0.48255419      -1.13478097
Cl       7.33428003       4.58205000       3.86301998       1.02541246       2.77818079       2.48487125
Cl       9.91458995      11.64070005       9.37489999       0.45811836      -1.77796314       0.77607754
Cl       3.58871000       2.41697000      10.84459999      -0.05854272      -0.84695712      -1.18304884
Cl       1.37460998       0.44400700       4.20951996      -0.86841633       1.36513611      -1.52962420
Cl       9.11367003       8.27612002       3.93856998       0.52785530      -1.57882790      -0.34949389
Cl       9.74795998       1.77165003       6.16968999      -0.13812593      -0.48937559       0.68826449
Cl       9.56244003       2.63444004       2.06327000      -0.15280600      -0.47313366      -0.08954586
Cl       9.09565994       5.65165998       7.16897994      -0.06344360       0.27815287       1.53686604
Cl       3.17747999      10.17100005      10.98750000      -0.47737650      -0.51089326       0.02688055
Cl       7.26985001       9.35328995       7.86570996      -0.32069818      -1.96621457      -0.99563224
Cl       4.47400006       5.28585004       8.37189000       0.36140138       0.00709486      -0.01596711
Cl      10.97789995       8.96696002      10.06150000       0.48971181      -2.30992258       3.73475166
Cl       9.44833005       3.39097002       9.87215004      -1.53470719      -0.21307538      -1.01033439
Cl       6.64964995       0.34583004       8.80208004      -0.93919039       1.22976536       0.13337214
Cl       3.13316999       9.59425001       5.02490996       1.51899518      -2.36533074      -0.41385661
K       11.03170003       4.25574998      11.65960003       0.67704222       0.90889577       0.96042283
K        3.82125001       9.68687005       8.32814998       0.09630424       0.21623294      -0.73694624
K        6.51169002       6.26096001       6.37992000      -0.54216898       0.26160005      -0.29326668
K        0.57397699       2.94960996       7.33049005      -0.08395795       0.00488663       0.10955442
K       11.00620005      10.18749998       3.99983004       0.61200386       0.28637085       1.08676005
K        1.86565000       7.02476994       7.28842997      -0.04147887      -0.30580941      -0.09302949
K        6.83164001       2.41560997       6.61194995       0.37175508       0.58279814      -0.23201836
K        6.26785001       9.37178996      10.50549994      -0.19351484      -0.40786353       0.76772388
K        7.02194002       9.79220004       4.56904004      -0.07377946       1.06337565       1.10044096
K        6.23486002       4.28938001      10.73890005       0.57691268       0.19531241      -0.04481648
Li       9.62794997       1.62206996       8.76903000      -0.58641522       2.58431668      -1.61299397
Li       4.56020001       1.48150005       8.63110999      -0.39511798       0.10238998       0.34924572
Li      10.02500002       7.37181001       9.41082998      -1.35427201      -1.89849353      -0.32754292
Li       7.39499001       3.24081996       2.57703000       0.40854991      -2.44327807      -1.82725925
Li       2.19836999      11.14489998       5.67194001      -0.46131737       1.28145392       1.39973739
Li       3.98535997       1.32569005       4.74877005       0.73712739      -0.52694368      -2.42849750
Li       9.93097003       7.90163995       1.48620995      -3.02305886       1.49411606       1.79404778
Li       6.86736995       1.05952001       0.65513101      -0.34095556       0.66128931       0.36382827
Li       9.82847996       5.68273997       5.26359996      -0.53365605       0.14901716      -1.11774657
Li       9.98485995      10.99989994      11.58399999      -0.24551391      -0.08480656       0.00178334
Li       0.68741102       4.85382995       3.39371999      -0.13987953      -0.25218846      -0.39522341
Li       3.42906998       4.56328001      10.54990001      -1.40329625      -1.00654998      -2.39387063
Li       3.80883005       1.02686006       0.96827401      -1.38133220       2.87638851      -2.18296645
Li       3.17976005       4.57424998       2.06310999       0.32889618      -0.26613166      -0.26887197
Li      11.51380005       1.10847998       2.55598995       0.12809312       0.77497426      -0.08596165
Li       1.25616005       8.71225000       0.18993997       0.16052692       0.46210506      -0.30389782
Li       5.87957005       6.29637005       2.85552004       0.19823134      -0.11145582      -0.13826814
Li      11.36229997      10.13699996       8.77468996       0.67315565       2.95075654      -2.49817284
Li       8.49356004      11.00699999       7.75805999       0.13672559       0.94166958      -0.07710031
Li       4.18001995       9.52782003       2.68173997      -6.12033780       3.56374683      -0.11493416
60
Lattice="11.77414789 0.0 0.0 0.0 11.77414789 0.0 0.0 0.0 11.77414789" Properties=species:S:1:pos:R:3:forces:R:3 energy=-467.29431404 stress="-0.016601835568364823 0.004657438020955549 -0.0011905505143668615 0.004657438020955549 -0.015811197237013134 0.007782288455672365 -0.0011905505143668615 0.007782288455672365 -0.024104885459329754" free_energy=-467.29431404 pbc="T T T" config_type=melt 
Cl       1.70535004       4.33646000       2.26096996      -0.28512043       0.42390531      -1.95875209
Cl      10.57289999       5.92011997       4.37825999       0.10392217      -0.11713811       0.06919109
Cl       2.08522997       9.90876999       8.14694997       0.65562863       0.96778957      -0.72305183
Cl       6.02361003       0.06985213       6.62783999      -0.48095886      -0.08678793       0.31019990
Cl       6.76693000       3.84062001       7.82352001       0.18864395      -0.03466755      -0.03136366
Cl      10.33459995       6.22773996       8.20083000      -1.11492101       1.15707374      -0.20973767
Cl       4.78395003       1.99840999       3.67157999       0.67989546      -0.99766981      -0.51110971
Cl      10.81710005       8.19012000       2.28280994       0.23630362      -0.15710590      -0.70022838
Cl      11.00760000       2.40125999       3.13819001      -4.71802235       1.71128778      -0.23338437
Cl       5.09737996       9.22938000       3.84334997      -2.59988259       1.38711974      -0.73737388
Cl       8.34449003       0.14570096       9.15068995       0.17171803       0.38946954      -0.79252777
Cl       8.67505994       8.91685997       5.26239994      -0.09965939      -0.13838852       0.60797103
Cl      10.67069995       9.78182996      10.57780004      -0.13177247      -1.87653164      -2.71506308
Cl       3.67872996       2.39150004       9.14699004      -0.61048280       0.13527188      -0.28858719
Cl       2.24248996       6.78314005       4.69886003       0.05360805       0.75255287       0.96268100
Cl       6.26324996       5.44445994       4.59854005       0.90590765       4.58420200      -1.29684850
Cl       1.94526996       1.20644996       1.31708997       0.64860262      -0.27052784      -1.72312527
Cl      11.29470000       2.77391000       6.40613996      -0.01952262       0.09896108       0.42615947
Cl       0.32429901       1.41872995       9.49364003      -0.42588123      -0.17505910      -0.28815113
Cl       0.20298395       4.84732002      10.44829995       1.45376626      -0.07115214       0.63585882
Cl       5.13493996       0.05195213      10.92050003       0.41416534      -1.51284970      -0.48507503
Cl       8.18312003       2.20929004       4.63950996      -0.76070315       0.52739494       0.84680091
Cl       7.57588001       8.37344995       0.47846805      -0.79645573      -0.04362498      -1.49618410
Cl       5.05162998       4.99364995      11.65620001       1.23880080       0.30624967      -0.83296297
Cl       8.85247998      11.33950004       2.87300994      -0.37743998       0.93720057      -1.40889696
Cl       3.36039997       8.11053005       1.42279003       0.21636196       2.23223032      -8.81183055
Cl       4.95591004       7.45851000       9.68568003      -0.97680572       0.40514905      -3.20935716
Cl       7.69853001       3.57177995       1.25158003       0.67963195       0.14254709       0.13098523
Cl       3.43737005       3.76250996       5.57297995      -0.14216655      -0.08878630       1.56082854
Cl       0.55949102      10.85170004       3.89309998      -0.26765884      -0.36825443       0.72851439
K        9.33474002       5.03058004      11.17910000      -1.04979931      -0.14377071      -0.38466626
K        3.57128002      10.78580001       2.18118998      -0.13430442       0.92888158      -0.11110611
K        3.71066003       6.02116995       7.52414005       0.50105817      -0.67039993      -0.55245437
K        5.11895997       2.19908998       0.87102697       0.09461608       0.41296604      -0.20045616
K        7.62059999       7.52957994       8.58065000       0.68482641      -0.20930600      -0.38284680
K       11.53469999      10.83119995       0.84972801       1.13442865       1.35545757       2.17237694
K        1.68076997       7.72754999       9.58617000      -0.50616292      -0.35907255       1.15028804
K        7.70198996       6.49182997       2.17913998       0.10605759      -1.56132670       1.60265140
K        8.37224004      10.83730002      11.69731180      -0.47213110       1.28056198       0.38793514
K       11.20850005      10.32519994       7.23464001      -0.69011772       0.30171962       0.29918159
Li       3.43107006       5.03196998       0.92384403      -1.66846254       0.25149998       1.11110973
Li       5.46810997       7.84191005      11.45200002       0.60422951       0.36852448       3.24419857
Li      10.09169998       2.58170999       8.30299004       0.12122628      -0.60046647      -0.00804436
Li       2.23348003       0.82801000       7.97295997      -0.08008751       0.15520896       0.83339623
Li       2.32472002       4.74558997       4.10604004      -0.04560451      -0.07302162       0.93731723
Li      11.38543287       6.13977000       1.30619995       0.68493898       0.09757815       0.85343611
Li       7.24834994       0.38024399       3.95804995      -1.00692341       0.17706989       0.51998870
Li       6.77186996       1.59309001       8.43621005      -0.38866948       0.15171923      -0.14526513
Li       1.76596005       2.57060002      10.79170004       0.16169064      -0.27337904      -0.13404644
Li       5.88227998       3.75801000       5.14887997      -0.42554533      -3.42995006       1.06598783
Li       0.33355207       7.88069998       4.76173998      -0.74970913      -0.19596016      -0.76448851
Li       6.55808004       8.37769995       4.50006001       3.27572516      -1.90935359       1.67310383
Li       3.24609996       7.46499002       2.94088002       0.03779620      -2.74776348       7.67822729
Li       5.65787002      10.47630005       8.82661995      -0.25565504       0.91495700       0.19489737
Li       9.89473003       9.86102005       3.64558997       1.12353434      -1.32670044       0.49716438
Li       0.16225211       5.02164005       8.12548004       0.42588311      -1.35947567      -0.30658149
Li       4.63596005       1.81223999       5.81779003      -0.11978631      -0.53722820       0.53534336
Li      10.20079994       1.34332996       4.75512997       0.07827373      -0.31435628       0.32427913
Li       0.92207697       1.97650996       2.89210997       4.43980298      -0.78456681       0.12410709
Li       9.41853003       4.03476005       4.31976001       0.27936809      -0.11990798      -0.04061341
60
Lattice="11.77414789 0.0 0.0 0.0 11.77414789 0.0 0.0 0.0 11.77414789" Properties=species:S:1:pos:R:3:forces:R:3 energy=-471.88049181 stress="-0.011042321614433585 0.0002730807042868566 -0.0026092942661418723 0.0002730807042868566 -0.01769239986528207 -0.0011793915823440782 -0.0026092942661418723 -0.0011793915823440782 -0.01386656071595075" free_energy=-471.88049181 pbc="T T T" config_type=melt 
Cl       9.45453997       6.81148997       1.50365994      -1.96427880      -2.85150840      -1.33123941
Cl       3.07477998       8.57925994       5.59359000       0.13562594       0.01029262       0.15884657
Cl       0.11267895       2.12758005       3.17837000      -1.16865303       0.72834913       0.55809171
Cl       0.84872097       6.32540004       2.28469004       0.09457157       0.33833224       0.38847990
Cl       6.93371998       6.43207005       4.44903003       1.06627884      -1.73305486      -1.07682976
Cl       3.17328003       5.03295995       4.32556997       0.88826769      -0.23696536      -0.39957672
Cl       3.35218998      10.07770005      10.08019994       0.38946648       0.87141813      -0.44926024
Cl       4.63932004      10.20650004       1.81819995       0.09096145      -0.85588425      -0.58243312
Cl       8.55417995       9.63018000       1.89922999       0.74340510       0.21639753       0.02803390
Cl      10.95299998       4.99480005       9.95627997      -0.25341236       1.54030631      -0.17804332
Cl       7.24226000       9.03034003      10.69600000      -0.55693498       3.00460693       0.69607371
Cl       6.00064997       6.94711002       8.47627995      -0.59196024       0.46025462      -0.40898421
Cl      10.07219999       0.24069102       6.47902005       1.42821370       0.83531444      -1.22749972
Cl      11.48989994      10.41739999      10.45049995      -0.15109851      -0.23116389       0.25877604
Cl       8.83346003       1.31862003       0.57449600       0.46329027      -0.37477795      -0.37323940
Cl       1.76090000       2.06808999      11.42000001      -0.00819186       0.07833041       0.26607367
Cl       1.94653003       6.96949997      10.36559998       0.55823684       0.24577446       0.18497267
Cl       0.04307348      10.49279999       2.77772000      -0.56927129      -0.15555218       0.28737146
Cl       7.25053004       3.04292997       2.72354997      -0.11535403       0.65277814       0.98580990
Cl      10.72649999       7.79027994       5.57883994       1.81735336       0.16084853      -1.64966811
Cl       1.69332004       3.39756001       6.41817997      -0.85050452      -0.02003420       0.02592707
Cl       2.06445001       0.66365302       7.89261000      -1.04341317      -0.15362948       0.55567886
Cl       6.11861998       5.62934998       0.30920702       0.46036513       0.58781742      -0.02413817
Cl       6.78116000       9.01555994       6.18724996       1.00770296       2.47655452       1.27941455
Cl       6.78613999       2.67759995       6.39011994       2.29448638      -0.04966868       3.73185708
Cl       8.45617006      11.65289995       8.71173994      -1.29336996      -0.33914711       1.73651970
Cl       5.41936005       1.69468996      10.78659995      -0.17292919      -0.31993327      -0.19086123
Cl       9.82688998       4.77416995       6.62772001      -1.08081630      -4.94752803      -0.88844174
Cl       9.59789999       7.94402005       8.72305996       1.09042059      -0.92824664       0.11847735
Cl       4.60354006       0.86982200       3.95607001       2.74839051       0.88193938       1.50642696
K        9.19717994       9.74638000       4.87232996      -0.56981480       0.98773518      -0.47506863
K        6.99674994      11.62389999       2.65854996      -0.97992700       1.05891052       0.33502956
K        3.91247999      11.45809997       6.28890995       0.86691291      -1.01270143      -0.02235127
K       10.99099998       4.11286999       0.82275096       0.10061200      -0.05027132       0.89823900
K        0.37216398       9.69111003       7.28062995       0.23312872       0.29262243       0.44780621
K        1.79780995       9.29989996       0.87647404       0.17289100      -0.26402559      -0.19111562
K        4.57098995       4.88149001       7.63168994      -1.17444310      -1.06722102      -0.44530642
K       10.94949999       2.41000006       9.85163994       0.61271672      -1.81309537      -0.31146023
K        3.40562000       4.76285005       0.61408504      -0.79306683      -0.05987165       0.10003969
K        2.53830000       1.03246997       2.69199996      -1.94216596      -0.27025472      -2.09264697
Li       5.58535999      10.72710000       9.77695005       0.37775026       0.58831425       0.47520880
Li      10.15149994       6.51308996       6.91298995       0.14030122       2.95219383       2.27547745
Li       6.78569999       8.43093994       1.03722001      -0.23878708       0.03227959       0.44269635
Li      10.02060003       0.28198802       2.29756000       0.97542969       0.13775680      -0.13284371
Li       7.95571002       8.94689005       8.24861997      -1.44180405       1.21753684      -0.69232270
Li       2.65247003       0.34780303      10.07940000      -0.40098290       0.97643013       0.10133873
Li       5.66087997       7.68684005       5.32931996      -2.53668367      -0.22405582      -0.18509271
Li      10.57239994       8.15964002       2.24809999       1.77079990       1.83360685       1.17596549
Li       6.32816002       2.59150997       0.82021199       0.23745537       0.01256175      -0.60319854
Li       7.20969000       7.24415999      10.04329999       0.96919584      -2.91750346       0.35410456
Li       2.10118994       6.85873997       4.54070002      -0.14712245       0.56010958      -0.40537639
Li       0.41976698       1.40325001       5.95998995      -0.10695964       0.39232171       0.14609661
Li       8.62306001       2.02233000       8.05201996      -0.39764949      -0.34418818      -0.87898084
Li       7.55202005       5.61390006       2.23795997      -0.05561090      -0.24210057       0.09284218
Li       9.25529996      11.03610003      11.05919997       0.07299228       0.00605736      -0.32185123
Li       0.50770502       4.53833000       4.62696001       0.41463089      -0.59602231       0.00092624
Li       5.72594002       2.77163006       4.92422004      -2.69357628      -0.12384412      -4.13360528
Li       4.11265005       8.24142997      10.35100004       0.08562723      -1.84779201      -0.11089478
Li      11.23090001       7.50628997      10.14099999       0.54565910      -0.42400631       0.35272060
Li       7.78762004       4.57085997       5.60611004       0.44564244       0.31629659      -0.18299209
60
Lattice="11.77414789 0.0 0.0 0.0 11.77414789 0.0 0.0 0.0 11.77414789" Properties=species:S:1:pos:R:3:forces:R:3 energy=-475.80186334 stress="-0.010224899581807705 -0.0013405470109328912 0.0027773359080587082 -0.0013405470109328912 -0.009978823965123734 -0.0010059062147563201 0.0027773359080587082 -0.0010059062147563201 -0.015010231929356087" free_energy=-475.80186334 pbc="T T T" config_type=melt 
Cl       1.51321996       3.10672996       7.44986001       0.25165078       0.07445008       0.07006222
Cl       1.85279004       9.52361995       0.09451591       0.04642367      -0.02167208       1.53064023
Cl      11.66229996       1.77731999       1.29107005       0.26825588      -0.77962481       0.64173578
Cl       3.43694995       0.52491200      10.13479996       0.24828452      -0.16694775       0.26417853
Cl      10.47790004       4.60437002      11.01060005       0.38175645      -0.09702918       1.14111743
Cl       5.24757005       4.05101003       8.76058005      -0.27244832      -0.34331943       0.48990143
Cl       1.59108005       4.74500998       0.46413903       1.65737805       1.65029140       0.59364914
Cl       7.22124997       1.41003004       9.64233998      -0.32830370       0.17854088      -0.22125544
Cl      10.48539994       0.16567403       8.86709005       0.26520291      -0.01887869       0.11626072
Cl       6.14707998       5.87377999       5.95883997      -0.63038975       0.00501484      -0.60247573
Cl       7.94465998      11.57450002       3.27352996      -0.88267114       1.78748999       1.21016213
Cl       1.96917996       8.47969998       5.83401999      -0.23382360      -0.99946170       1.01556285
Cl       8.20882005       4.09344005       2.26593005      -0.63530521       0.41784838      -1.31089125
Cl       2.91340999       0.02075205       4.68798001      -0.26979889       0.03446325      -0.22551144
Cl       3.25352003       8.34118997       9.73901998       0.57932597      -2.70685419      -2.13318980
Cl       7.80650001       9.72921000       7.42187003       0.08060905      -0.16631934      -0.64191647
Cl       0.00627845       6.34537005       9.06063997       0.00543205       0.84494191      -2.57861978
Cl      11.44070002       9.84795004       3.49257997      -0.48249086       0.74735521      -0.08017193
Cl       5.45432997       9.18659003       4.36708997      -0.43480931       1.71422884       0.60864720
Cl       8.38770998       7.91447000       3.36021006      -0.40389027       0.48260312       1.32325208
Cl       3.81362001       2.91214003       3.33778996       0.70563393      -0.35642867      -0.46755064
Cl      10.91010005       2.25046000       5.08360998       0.38786783      -0.76362045      -0.31648944
Cl       8.31044001      10.40500005      11.26309995       1.22714114       1.61873725       1.13580946
Cl       1.45302004       4.91450001       4.23459996      -1.28913118       0.50948877       1.08271072
Cl      10.27600001       6.60798995       6.02716005      -0.88438673       0.69854033      -0.07347768
Cl       8.91468999       3.92083999       7.32565005      -0.34999018      -0.45485641       0.52617840
Cl       5.41235996       0.96043903       6.66128999       0.68157472       0.66739672      -0.14157524
Cl       4.66486005       6.52510996       2.31522005      -0.47488833      -0.04168254       0.30382039
Cl       5.65429998       6.30884994      11.11620003       0.41081542      -0.20498354      -0.04954004
Cl       8.83390003       7.51616000       0.53480205       0.85182358      -0.05005840      -1.19148923
K        1.32894996       2.55500999      10.68300005      -0.14944677      -0.40009797      -1.10423346
K        3.48552996       5.98553997       7.69475004      -0.31905362       0.24865713      -0.15250356
K        2.41833003       9.20128994       3.29307999       0.68357144      -0.14793552      -1.04411782
K        9.27129997       2.39898004      11.63760004      -1.02513469      -1.34877609       0.13203906
K       11.12350000       4.48059005       2.10218003      -0.49694878       0.38301733       0.64944929
K        5.56456002       2.87620003       0.57105901      -0.11997365       0.38600931      -0.22428850
K        8.07675002       2.97941998       4.63664001      -0.31901797      -0.57383750       0.63139272
K        0.00499071       9.40812004       7.73932002       0.02260314      -0.23260556       0.34313914
K       11.25579998      10.86919995       0.16944200      -0.51443575      -0.04451127      -0.05274386
K        6.53925000       9.04195004      10.06999999      -1.21835730      -1.71073155      -0.64263193
Li       5.02100001       0.75450306       3.68129001      -0.50224286       0.33144168       0.36396599
Li       4.55702004       1.90690002       8.81965001       0.02472168      -0.12149817      -0.31177362
Li       6.61705004       2.87130999       7.61331003       0.52686734      -0.15193347       0.21307943
Li       9.56217005       5.14110997       9.31735996      -0.14139785       0.59541404      -1.26056492
Li       0.48445214       6.18795005       5.86755994       1.37927197      -0.09572219       0.19331510
Li       4.68331003      10.84529996       5.96320005      -0.51128487      -0.82438324      -0.10295480
Li       8.56797995      10.11369998       2.07561002       0.41824208      -1.95690433      -1.28539880
Li       2.85307996       5.21054000       2.83530995       1.23496746      -0.43849070      -1.16753459
Li       0.72376099       0.40084298       3.92320000      -0.55571825      -0.15716338      -0.20282342
Li       8.27373999      11.15219996       9.02469997       0.34959664       0.73560482       0.44286575
Li       1.50745004       2.83805003       5.12365998       0.22887977       0.04416689       0.62459972
Li       3.73435998       6.92813998       0.28945212      -0.12412876       0.06484855      -0.59161026
Li       3.67901995      10.04399997      10.49569996      -0.48868360       2.24311550       1.04731377
Li       6.02339997       7.22497002       3.90122002       0.67002506      -0.65895424       0.54927804
Li       7.18677998       6.38575997       1.20569994      -0.24736828      -0.39716199      -0.03734351
Li      10.06800004       1.61965002       7.25724001       0.42921065       0.65284165      -0.17492150
Li       0.54420006       6.44838996      10.95519998       0.19891840      -0.11773436       1.53963098
Li      10.19800005       8.37902996       4.64590003      -0.09094195      -0.23046891      -0.39831388
Li       8.18302996       5.91270002       6.34094003       0.51572017       0.11501718       0.14039339
Li       7.64106004      10.09950000       5.06264999      -0.33530928      -0.45087740      -0.13623857
60
Lattice="11.77414789 0.0 0.0 0.0 11.77414789 0.0 0.0 0.0 11.77414789" Properties=species:S:1:pos:R:3:forces:R:3 energy=-467.5386917 stress="-0.025977773523631734 0.002631513695347014 0.0030968362760920402 0.002631513695347014 -0.015514269736122218 -0.0009903753989417845 0.0030968362760920402 -0.0009903753989417845 -0.031995714769825705" free_energy=-467.5386917 pbc="T T T" config_type=melt 
Cl       6.88535002       0.55749695       9.62731005       0.45297250       0.51701629      -0.91555339
Cl       5.69574004       7.85687005       9.73402998       0.73691419       0.93962789       0.69580325
Cl       8.68754996       2.44350999       6.34941000       0.14642725      -0.89834429       0.81514471
Cl       4.46663003      10.87490005       6.54164004      -1.24159841      -2.21569034      -1.26627018
Cl       6.68204004       6.20440995       2.57539999      -0.78159535       1.12060026      -0.57936901
Cl      10.33000002      10.93889996       1.29961997      -0.04710134       1.08898396      -2.93603600
Cl       8.86601001       5.40660994      10.72010003       0.23257587       0.90117777      -0.28406897
Cl       2.48109001      10.23019999      11.52962886      -1.05905309      -0.93367853       0.65068843
Cl       9.87578001       7.32592003       1.24616004       0.16992134      -0.22079935      -0.12454663
Cl       6.09480006       7.26837000       5.93267004      -3.08358698      -0.11144317       1.62406910
Cl       9.62522002       9.05826995       4.29773000      -2.44613641      -1.56312424       0.32819659
Cl       0.50133297       5.04846003      11.35710004      -0.89917312      -1.21682247      -0.04269245
Cl       3.69310996       0.20254395       9.44479003      -1.51440354       0.56479033       0.43813434
Cl      10.53499995       5.76066999       4.17887998       0.12771880      -0.30557336       0.64814273
Cl       2.65115003       7.05275003       4.96579997      -2.40664263      -0.52393736       2.52518438
Cl      10.29049999       0.37679098      10.09809994       0.64961282       0.53677686      -0.17044123
Cl       3.91875997       2.09531005       1.42532995      -1.72997602       1.42808205       1.17450460
Cl       8.60629998      10.37979996       7.07394997      -0.08361302      -1.08791221      -0.95000580
Cl       6.32043994      10.82600002       2.24399999      -0.29222255      -0.81233492      -1.89738704
Cl       4.93688997       3.99153998       9.31306004      -2.43439539       2.07956970       0.95595215
Cl       6.19056002       4.10259999       4.63834997      -1.37509025      -1.86136239      -1.05309739
Cl       2.81406997       5.95666999       2.32096995       0.93466263      -0.83856678      -1.06405686
Cl       2.98299002       2.27822003       5.52558994       0.81264070       1.43298001       0.86367832
Cl       0.43428497      10.39690003       4.44393995       1.14564622       1.07236065       0.15622495
Cl       2.61974002       6.73636996      10.07060000       1.74310709      -0.22439237      -0.54566754
Cl       9.68501997       3.09774004       2.31843004       0.24624797       0.02955011      -0.25638759
Cl       8.44800998       5.42825000       7.57764001      -1.98834789       2.36061996      -1.34710215
Cl       0.52057205       8.72546001       7.26436997       1.41874775      -0.40823364       1.00291081
Cl       6.97826995       3.50488996       0.49224498      -0.32542961      -1.82657685       1.00465281
Cl       0.68845103       4.54737996       7.60933001       0.36235916      -0.16246838      -0.81445433
K       10.00909998       4.03058000       8.71011994       1.76047658      -2.78056884       1.31126885
K        4.45163000       8.70724999       0.62537598       0.58623491      -1.04639410       0.46530450
K        5.25199996       0.49574496       0.02585214       0.74115524      -0.95925216      -0.79441305
K        8.23588999       0.89629406       0.90431602       0.43256933       0.24007313      -0.43658263
K        0.46923900       1.34571999       6.60212996      -0.46828473      -0.31505649       0.44403517
K        7.67572996       9.06940995      11.36410000       1.11684575      -0.01404143       0.34989381
K        1.98844000       0.94538896       3.58328000      -0.45133382      -0.95954985      -1.62967848
K        0.14865215       7.67820995       9.94555997      -1.56542445       0.58146500       0.48037176
K        6.48898004      11.18340004       4.75204997       1.09421373       0.37944289       1.69243152
K        0.72040395       7.84939994       2.98309999      -0.81546325       0.02720389      -0.42314302
Li       8.67062003       5.31750001       2.51346997       0.55707460       0.54591329       0.20656861
Li       7.06953996       5.26296004       6.01157002       0.36216599       0.36849046       0.65706290
Li       3.01240997       9.28207001       8.16765999      -0.08578998       0.55415261      -0.23614514
Li       5.47513996       3.75109999       2.01666004       0.13075067       0.35150639       0.47461762
Li      10.56620003       8.94689005       6.20667000      -0.97892130       0.75078585      -0.10671333
Li       4.60620996       6.61961998       8.61021005      -0.57335069      -1.29255690      -0.57522080
Li       8.99466000       2.85065001       4.35876000      -0.04453008       0.49823491      -0.28219546
Li       0.28998101       5.89972998       5.89211999       0.01638406       0.35580859      -0.33285945
Li       1.83362997       4.55868997       9.35138996       0.43001039       0.30446572       0.67689415
Li       7.64913004       7.71845999       4.99534002       3.22003982       0.95965802      -1.92917678
Li       8.88222996      11.62879085       8.60797002      -0.16635746       0.88713169       0.68345858
Li       6.87874001       4.96826995      10.96890002      -1.02034710       1.31019759      -1.21251520
Li       4.89818999       0.46344694       7.82512000       1.09096839       1.43218682       0.91345201
Li       2.50328004       5.21309005       0.25650299       0.40768788       0.22895010       0.16590600
Li       4.39113996       7.34956005       4.31382997       2.81075424       0.23808508      -0.86644404
Li       6.37178006       2.96584003       8.69374999       2.73788275      -1.91095248      -0.97471476
Li      10.56210003      10.21829998       2.96223997       0.77692370      -0.58660362       2.32112153
Li      10.01349998       4.58414003       0.52322594       0.83408924       0.17375336       0.25053942
Li       3.69114003       4.48087004       4.14670006      -0.12045784      -0.10557458       0.52571145
Li       2.37576001       0.49054903      11.42859996      -0.28715523       0.92216981      -0.45498636
60
Lattice="11.77414789 0.0 0.0 0.0 11.77414789 0.0 0.0 0.0 11.77414789" Properties=species:S:1:pos:R:3:forces:R:3 energy=-471.62753302 stress="-0.013957012491440796 -0.0031327198667359312 0.002919751436432894 -0.0031327198667359312 -0.013576333999393234 -0.0012434167083309872 0.002919751436432894 -0.0012434167083309872 -0.015515524535358394" free_energy=-471.62753302 pbc="T T T" config_type=melt 
Cl       1.72806001       3.58489000       8.66267001       0.90902393      -1.08521954      -0.59616472
Cl       2.48578000       9.28900004       3.82292006       0.07571106       1.22156066      -0.91135792
Cl      10.86169994       6.20982995       6.63855999      -0.78710623      -1.15442025      -0.95776331
Cl       9.66892000       7.28658001       2.54626003      -0.05627230       2.12787116       1.17589001
Cl       5.61567995       3.32350003       2.52247001      -0.02273316       0.68664639       0.42852931
Cl       0.71538898       5.83176995       1.21822999      -0.32463105       0.53889263       0.00807040
Cl      10.69560003      11.17750001       3.13169998       0.17593789      -0.31564367       1.38728745
Cl       8.64326998       5.00077002       1.06136996      -2.39535048      -2.41153080      -0.04540026
Cl       1.45574999       2.84351994       3.86170999      -0.04602723      -0.76172231       1.54789329
Cl       7.25316003       5.33979000       6.65269003       0.78767072      -0.09808281      -0.60676443
Cl       8.53714005       7.63807000       9.41229998      -0.60069962       0.13782584       0.91023526
Cl       7.98222999       0.61402605       6.54800997      -0.51257825       1.97750649       1.00303104
Cl       6.35214996       2.89795995       8.76162995      -2.63309198       1.74220693       1.16450997
Cl       4.90955004      10.57880001       8.23003000       0.07608267       0.10650873      -0.44216123
Cl       9.64473002       2.64340005       4.63606002      -0.28490650       0.49369203      -0.45489506
Cl       3.02348002       0.82941101       0.73116705       0.36822636       0.55094029       0.25759796
Cl       0.87131096      10.67939998       9.95156996       0.29379330       0.51911050      -0.20759972
Cl       4.23031005       3.84109004      11.10849997      -0.92347541       1.90275650      -0.06648407
Cl       7.18819994       9.84142999       5.92782003      -0.22582753      -2.34842208      -1.22804596
Cl       4.73517997       9.38499997      11.21580002       0.37552308      -0.09784037       1.04493483
Cl       7.52574004       1.10226005       1.37044994       0.97366956       0.21721686      -0.88621269
Cl       4.80586996       6.98016005       8.96802994      -0.61308272      -1.20776248      -0.73347034
Cl       1.89797003       8.30024996       6.75097002      -0.12743156       0.90837968       0.15051080
Cl       5.08329997       6.86489997       4.64652005      -1.39339617       0.22713423       0.15427912
Cl      10.27980000       9.33944002       7.12963003       1.08265555       0.92311110      -0.84031635
Cl      10.98979996       1.66033994       0.75167997       0.13642099       0.06234150      -0.14497654
Cl      11.07389999       4.27056998      10.02929994      -1.42544474      -0.45435278       0.71683311
Cl       1.44649999       7.25424997      10.02790000      -0.02680105       0.02388526      -0.83458562
Cl       8.78254002      11.50749994       9.61289001       0.42850777       0.21431440       0.64740572
Cl       4.04418997       0.73354001       5.23719997      -0.84165797      -0.45795227      -0.48040915
K        2.43534002       5.63529003       6.99165998       0.53443775      -0.54092664      -0.08135538
K       11.74239996       8.12105002       4.53669998      -0.53168625       0.04427596      -0.34639657
K        5.91602999       6.75086005       1.78007996      -0.45097894      -0.13077316      -1.02230937
K        5.50157998      11.28960002       2.01286005      -1.21489670      -0.51424869      -0.01320701
K        7.64445995       6.21522004       4.10675002       0.71094953      -0.43238126      -0.21794196
K        2.64163004       3.99433999       1.80487997       0.79026150      -0.29764727      -0.53718825
K        4.40112997       3.39021000       5.41454996       0.37561399       0.80085453      -0.27690651
K        9.94252000       9.78714999       0.92902901      -0.38141767       0.10930106      -1.03365403
K        1.97651997      10.05640003       0.83858802       0.06078575      -0.77262668      -0.20623798
K        3.64161996       1.59462995       9.65990995      -0.22914282      -1.15245086      -0.58788292
Li       8.74640998       7.97997995       7.36262005      -0.36956492      -0.69788849      -0.66840972
Li      10.80520004       9.94168003       9.11785998      -0.61698263       0.24448132       0.17460548
Li       9.32027995       3.04585997       0.13537503       0.66400429       0.12139725      -0.89787371
Li       5.72710001       2.59306003      11.61139997       1.15452355      -0.65676457       1.05383377
Li       5.73233998      11.50540002       5.78506002       0.82741222      -0.50129673       1.19653688
Li       2.72231004       9.19466003       8.62562995       0.34873587       0.01368041       1.14948136
Li      10.18930002       6.18968002       0.92303703       2.46719385       0.06451283      -1.19024747
Li       6.21260005       5.26400994       8.39058004      -0.57202717       0.02133331       1.42354257
Li       0.14353098       1.24061006       3.20323994      -0.76443925       0.77383481      -0.79443331
Li       2.02534006       4.90687001      10.52649996      -0.51106994       0.49304336       0.01760748
Li       3.56318000       8.51576997       5.48374003       1.30474170      -0.23078171      -0.23555218
Li       6.30989996       8.40100994       9.14773005       0.00740354       0.61681420       0.67794505
Li       7.43748997      10.67789996       8.12725994      -0.21836141       0.21882685      -0.39695930
Li       9.32057995       4.62681001       6.17270995       0.49140093      -0.77216246       0.05871515
Li       8.56258998       2.74108003       2.42367997       0.03835846       0.30936061       0.89416741
Li       8.60111994      11.66039997       4.77739995       1.05321001      -0.45377489      -1.08810182
Li      11.74000004       1.98734994      10.08810004      -0.09707074       0.43461166       0.34451128
Li       2.00150000      11.69929999       4.85422002       0.20072197      -0.21531500      -0.20211110
Li       0.41417602       7.18845002       7.81960004      -0.29306387       0.71943107       1.98228063
Li       7.80323998       1.86920002       8.24050004       2.77823843      -1.80567263      -0.33685937
60
Lattice="11.77414789 0.0 0.0 0.0 11.77414789 0.0 0.0 0.0 11.77414789" Properties=species:S:1:pos:R:3:forces:R:3 energy=-476.05058607 stress="-0.012068484079080628 -0.003486302812988844 -0.006302902457132147 -0.003486302812988844 -0.01638436282817091 -0.005421169468608938 -0.006302902457132147 -0.005421169468608938 -0.011693840002886155" free_energy=-476.05058607 pbc="T T T" config_type=melt 
Cl       9.33366998       8.66505003       2.98845005       0.63311597      -0.38614494      -0.19822689
Cl      10.55249998       1.60131002       3.89598995      -0.45795781       0.13997318       0.08962648
Cl       5.72154002       8.15105997       2.89031005       0.01755752       0.51838303       0.06158176
Cl       7.58678004       5.33323004      10.09799998      -0.67177433      -1.19574831      -1.58790450
Cl       1.53917996       3.05553997       2.43027997       0.10619892      -1.51885316       0.88946394
Cl      10.15120005       6.38920003       6.79868005       0.18344868       0.33029972       0.28733444
Cl       8.80954002      10.91879996       5.11236998      -1.93101582      -1.18139704      -0.02907039
Cl       4.16973994      10.44590003      11.47710003       0.59736687      -0.27367660       0.73759616
Cl       3.59392995      11.28499998       4.39743996       0.31631607       0.19119872      -0.15431849
Cl       7.43246006       5.08417996       1.82040995       0.13750577       1.03135507       0.24449384
Cl      11.53360005       5.48991004       1.62235996      -0.30956246      -0.81519178      -0.39546866
Cl       3.92726997       7.27110996       7.24287002      -0.04763783       0.28875105      -0.65753225
Cl       2.77594999       6.00072002       2.97273003       1.43640797       1.31935522       0.25874164
Cl       3.26461999       3.14396994       5.97866999      -0.01642672      -0.01520499       0.95589099
Cl       5.34009001       2.62715997       2.55991004      -0.45359262      -1.71186735      -0.23020128
Cl      11.69119996       5.00832996       9.83654996       0.76000391      -0.26624641       0.43775092
Cl       0.25338802      11.05340002       6.63574998       1.52114477       1.01950402       2.12528796
Cl       1.73272999       1.30257999      11.71469998      -0.19361150       0.69496945      -0.07348744
Cl       8.55662002       3.16214004       7.71129001       0.70501004      -0.11527857      -0.49586408
Cl       7.01947004      10.94620005       8.59961002       1.08097176       0.33814385      -0.27281669
Cl       5.47213001       4.92671004       4.79838996       0.91422226       0.93196716       0.29553068
Cl       7.49808998       0.06175211       2.00357001      -0.81457050      -0.61007575      -0.17704035
Cl       8.45178995       8.40977002      11.14929998      -0.28357809       0.30702594       0.37876097
Cl       6.22474002       1.21067005       5.92273996       0.48899333      -0.47792697       0.19498656
Cl       0.91146198       8.84032000       4.39393997      -0.95664796      -1.08540914       1.98089450
Cl       4.39956001       1.74136998       9.24532996       1.07041539       0.90830497       1.39579824
Cl       0.05985211       9.73645004       0.31924201      -0.10020617      -0.44246274      -0.57758383
Cl       3.64306995       4.90181996      11.74268996       0.20553428      -1.16161692      -0.15053219
Cl      10.21500004       1.07954996       0.52911702      -1.77460567       0.02237920      -1.90575442
Cl       3.28834996      10.33769996       8.43433996      -1.14220618       0.42745480      -1.01582156
K        4.32588999       4.74983997       8.50471004       0.15471458      -0.47680309       0.10163891
K        9.60131002      10.87669997      10.37170005      -0.08850238       0.04081442      -0.47223563
K        0.73518498       8.60226003       8.64199001      -0.09273246      -0.38570239      -0.05527626
K        4.27555998       7.59827997       0.15906697       0.40434142       0.29480158       0.33970576
K        7.37125003       2.70178004       0.58179303       0.47239376      -0.58845365      -0.83501913
K        1.35935999       5.73755004       5.27985994      -0.49862055      -0.05331226       0.66793810
K        8.67157997       4.90925004       4.85162995      -0.24783267      -0.28165766      -0.50106051
K        1.44969997       1.51579002       4.90677005      -0.60840492      -0.36810636      -0.22561319
K        1.93446000       9.83809002       2.36523004       1.62158196       0.97119273      -1.75767349
K        7.02264000       8.15814000       6.46306997       0.25686473       0.22901547       0.08352964
Li       9.39112005      10.90730486       2.36565002       0.85213567       0.32850136       0.61415432
Li       2.01375006       4.76525998       1.52182004      -0.78668786       1.26614347      -1.04564933
Li       4.79791004       4.57167003       2.12755002       0.41227083       1.99332022       0.47247007
Li       6.98942995       1.92654000       8.39733005      -1.00609061      -0.87306450      -0.12888235
Li       3.76512006       0.97006604       7.52110997      -0.14673220      -0.42115103      -1.36654440
Li       2.33082998      10.32060002       5.87775000      -0.27123599      -0.74901696       0.34640855
Li       5.76800999      11.64770002       3.57678997       0.16317778       0.02123126       0.12580489
Li       2.39803999      11.36160000      10.68759997       0.05470743      -0.25066829      -0.57810459
Li      11.12419997       7.47386997       1.87295998      -0.43039216       1.38963673       0.08498975
Li       8.65558998       1.09546001       5.59777995      -0.12762480       1.39554349       0.28291552
Li       8.28244003       6.29352000      11.67810004       0.43627191       0.31978733       1.61673858
Li       5.21447999      10.31289996       9.37215002      -0.35637354       0.06782136       0.78520223
Li       9.81631997       4.76928003       8.91863998      -0.98841367       0.30922813      -0.65153255
Li       3.57923005       2.70544004       1.16103000      -0.80075352      -0.78285462      -0.56898402
Li       4.59372995       7.06549001       4.55803003      -0.30312145      -0.45125330      -0.23398606
Li       5.26638997       2.67880997       4.76863998      -0.66296232       0.80631038       0.19437299
Li      10.69120003      10.44940001       5.37145999       0.46675821      -1.43788155      -1.40436510
Li      11.50959998       1.71655997       1.76768002       1.85187247       0.69578374       2.05412378
Li       7.84804003       9.18098001       1.50127003      -0.95189980      -0.33375172      -0.18784388
Li      11.76990001       3.23486000      11.37530004       0.20047033       0.11258101      -0.16933867
60
Lattice="11.77414789 0.0 0.0 0.0 11.77414789 0.0 0.0 0.0 11.77414789" Properties=species:S:1:pos:R:3:forces:R:3 energy=-469.32546705 stress="-0.0204053745171214 0.0038629681769476987 0.0022083333910048776 0.0038629681769476987 -0.021255916631086072 -0.0026747626038009405 0.0022083333910048776 -0.0026747626038009405 -0.020408833636377077" free_energy=-469.32546705 pbc="T T T" config_type=melt 
Cl       5.70633995      10.90899999      11.54599999      -1.72914242      -2.18774329       0.85114423
Cl       1.80496003       2.55140004       8.73197994      -3.18335791       3.61770827       2.18529748
Cl      10.54510005       2.76425002       7.48041004      -0.15314639       1.04179898      -0.04568349
Cl       8.81308004       6.24008998       5.65658005       0.22007004       0.50209402       0.06984512
Cl       8.12178002       3.98454002       3.01434999       0.81521941      -0.58390787      -0.59034710
Cl       1.45162998       6.79126999       5.17284001       0.07000555       0.06875099      -0.75738031
Cl      11.08049999       1.24095998      11.49320000      -0.44778131      -0.47132677      -0.85055940
Cl      11.44329999      10.16320003       5.89546997       1.22491800      -3.47319370       2.38920776
Cl       2.68677001       1.38880996       1.29852002       1.91978742      -1.34140191      -0.07449343
Cl       5.79833996       4.62469997       6.00144001       0.34063697      -0.53108317       0.11539526
Cl       5.24952998       6.44187003       9.13747995      -1.60239744       1.14135373       1.24459960
Cl       7.38766001       8.18240004       0.66074104      -0.08176269      -0.85271662      -0.07071846
Cl       2.52197997       9.04998001       1.98461999       0.49206316      -0.01643984      -0.08622056
Cl       1.08548001       3.86646003       1.05945996      -0.70287248       1.21793203       0.13267018
Cl       5.05123001       0.27419694       3.53536004       0.82915910       1.67240173      -0.72454219
Cl       7.84552001       4.94666004       9.82458001       2.37787908      -0.57088338      -1.00929559
Cl       8.72648000       0.94830306       5.60041995       0.17204302      -0.77811739      -0.48683546
Cl      11.38989999       7.11226999      10.99430004      -0.94468422       0.10756374       0.26385183
Cl       2.53485995      10.98349997      10.28839996      -0.34716228      -0.10277898       0.08848056
Cl       7.51285005       1.35756997       0.25679205       3.15702902       0.52547543       0.33672245
Cl       3.57980003       1.67535999       6.08396996      -0.45692138      -0.17423480       0.13476921
Cl       4.08299002       4.83894001       2.90522001       1.57795035       3.10937034       1.99833919
Cl       4.60400996       3.61797994      11.65439998       0.28064645       1.17125440      -0.25832195
Cl       6.24328996       1.02246006       8.53417002       0.10777198      -0.06655036      -0.91729295
Cl       5.37933996       8.72886003       4.71486003      -1.09665536      -2.24805085       2.08579132
Cl       8.73876997       8.32169998       8.79375995      -0.10887665      -0.07260978       0.05097177
Cl       1.88762998       5.65158004       8.63295995      -1.50730750       1.72576304       1.52978345
Cl      11.28379996       0.23601197       3.00297005       2.32199107       1.64381828       1.21716348
Cl       3.33984996       9.52300005       7.46559004       0.17229605      -0.43229758       0.31428065
Cl      10.14489994       9.90421999       1.52736001      -0.93031532      -2.25268293      -1.24305022
K        6.50073005       9.88400001       2.89468003       2.07763698       1.26208633      -2.76574510
K        3.29196003      10.57799996       4.78544004      -1.55188982       0.26479055       0.59868196
K        2.92292998       4.61969996       6.62567001       1.02971904      -1.12133262      -1.78355787
K        6.81627003       6.29785995       3.41947005      -0.63318794       0.33858688       0.38864733
K        8.83540994       5.64555003       0.57457795       0.41940479      -0.47346847       0.85863913
K       10.96980004       3.95718997      10.23070004       0.52528322       0.31978390       0.10135774
K       11.46900001      10.08139996      10.28059994       0.11527447       0.01695760       0.02236672
K        8.44666997       9.95565995       6.73680996      -0.08009004       0.52243457      -1.25948694
K        2.47254998       7.21635005      10.93829995       0.64709578       0.09683925       0.20034195
K       11.21649999       4.64807000       3.68399995      -0.25052048      -0.01455042       0.15493288
Li       7.16811996       2.04023000       6.55527002      -0.21918698       0.49064164       0.72187312
Li       5.68283004       1.95835999       0.51271104      -1.26868100      -0.36902514       0.80328230
Li       2.72989000       1.21987001       8.08203002       3.06550216      -4.64729861      -1.91091422
Li       3.00474005       2.93670997      10.45169997      -0.50187210      -0.16882081       0.29351353
Li       5.37642998       9.41291000       8.80652996      -0.73731445      -0.04785079       0.28784940
Li       3.23027998       3.41314003       2.12886001      -1.78460457      -2.41424214      -1.87510499
Li      10.33530004       1.21671996       8.91677001       0.06896027       0.06236259       0.41187712
Li       6.44108999       6.37670000       7.54562999       1.16149474      -0.69614067      -1.48648132
Li       5.12669995       2.29586994       4.73719995       0.11767804       0.39320751      -0.63224997
Li       3.65796001      11.21740001       0.50788705      -0.47326095      -0.08586536      -0.03044534
Li       6.79923002       0.22192597      10.38609995       1.09890920       0.89715246      -0.80312953
Li       1.70147999       7.87609005       7.05475999       0.22769708       0.07944424       0.45074348
Li       3.27453005       7.75477005       3.72250000       0.04266337      -0.72286217       0.27257039
Li      10.93729998      11.67380001       5.03414996      -1.55208430       3.45781639      -1.13291736
Li       0.40570605       9.46457001       1.84189000       0.03863749       0.14334506       0.41285724
Li       0.72267600       1.70381999       1.55491999      -1.38594272      -0.00565193      -0.01814908
Li       9.90806001       5.41859002       7.28578997      -0.01054698      -0.42533149       0.28757056
Li       9.89587000       0.15166998       1.60369004      -1.52771642       1.25278482      -1.47832332
Li       8.96999999       7.95353003      10.82560005       0.14909975       0.07355995       0.69500385
Li       6.10800005       5.09890000      10.75660001      -1.59524098       0.13138112       0.32082393
60
Lattice="11.77414789 0.0 0.0 0.0 11.77414789 0.0 0.0 0.0 11.77414789" Properties=species:S:1:pos:R:3:forces:R:3 energy=-468.00028111 stress="-0.01370265757531643 -0.004545943303281536 -0.0004676118040131622 -0.004545943303281536 -0.034431405348091325 0.00741797621167735 -0.0004676118040131622 0.00741797621167735 -0.017089788044921148" free_energy=-468.00028111 pbc="T T T" config_type=melt 
Cl       9.41149003       1.10983000       2.55843003       0.00608464       2.99854180      -1.64878678
Cl       0.43346102      11.10879998       4.88137003       0.41066361      -0.33131003      -1.66537957
Cl       6.95521004      10.95559994       1.34347996       0.68190079       1.02833653      -1.08813241
Cl       7.53865004      10.11990001       8.90646999      -0.36819574       1.72217941       1.23859959
Cl      10.65019998       9.51599996       2.25791998      -0.35571569       1.02782721       0.50589118
Cl       7.89649995       6.91933998       5.55674999      -0.54611306       0.33449110      -0.94137219
Cl      10.93129999      10.58510001       9.00985996      -0.01681948       0.42352119       0.34177658
Cl      11.23599998       7.00691998       0.23184498      -1.63034062      -0.57762211      -1.09635973
Cl       0.17210401       4.70109005       1.85033996       1.14867492      -0.16357813       1.31026924
Cl       5.55037994       2.54965005      10.15570001       0.57601996      -1.88862808       0.11135708
Cl       6.80020998       6.85384004       9.28427001      -0.22272348      -0.82236149       0.37664770
Cl       3.76267998       2.60451004       1.89447994      -1.39894218       8.14194881      -1.60597492
Cl       4.35898994       5.39520998      11.18259998       0.88450369       2.10510766       1.48823438
Cl       6.87346001       4.05213999       7.28129000       0.61116535      -0.02292705       0.04539723
Cl       2.96418000       7.39654996       2.11761994      -0.18077334       0.17615170       0.25487191
Cl       4.26787994      11.51540004       3.74738996      -0.25930814      -0.65862600       0.83099680
Cl       8.87841996       3.51958998      11.20200590      -1.34051025      -1.56771996       2.32476647
Cl       2.71089994       8.88390000       7.51458003       0.22350413       0.02793538      -0.46495481
Cl       0.76748994       2.57449997      10.61029998      -1.16862821      -1.79723436       2.49238045
Cl       7.30539004       7.92209000       2.09669999       2.49173342       3.12647932       0.69867720
Cl      11.38579999       6.65534004       4.41995001      -0.63099060       1.29503630      -0.34411248
Cl      10.42260005       6.82126004       7.91491000      -0.63723389      -0.11760115       0.15165316
Cl       2.49101997      10.68159998       1.01034999       0.44450325       0.33789891      -1.20036333
Cl       1.70745996       5.82934000       9.55615004       0.00493463      -0.86863016      -0.62293111
Cl       0.43590498       3.08745003       5.96997996      -1.13714848      -0.52536972       0.73794820
Cl       3.14541004       0.85678202       7.42577999      -0.12793864      -0.08829789      -0.19044766
Cl       6.44527005       2.29289002       3.14259001      -1.14046438       3.10110700      -1.82170640
Cl       9.18930998       0.06805210       6.13910005      -0.09245914       0.69962324      -3.35693082
Cl       2.60941998       5.38298994       5.40450001       3.06332835       0.76742314      -1.32268871
Cl       5.90317003       9.42359998       5.84484997      -0.06246504      -0.55973617      -0.01705512
K       11.35879999       9.02079002       6.53050004       0.17273364      -0.22132753      -0.02849871
K        0.80597304       8.51384996      10.33840005       0.81465041       0.51043170      -1.05510811
K        8.63961999       8.35127005      10.99220000       0.28512641       0.12675840       0.57504245
K        4.32662999       5.59603997       7.31090999       1.01775120       0.37813719       1.41782019
K        6.14124000       5.92239003       1.84738005      -2.53807417      -3.73173108      -0.19776235
K       10.62690000       0.00402287       0.16326304       0.10189190      -0.07296794      -0.38958359
K        9.47454001       4.54229000       4.37547999      -0.13643761      -0.71094924       0.01233899
K        2.84321005       2.59263004       4.69424998       0.68971049      -0.45212815      -0.09887836
K       10.39280003       4.72888999       9.67765995       1.86075960       1.10552398      -1.24121935
K        4.37143004       9.39584996       9.88961004       0.24089174       0.02256826       0.26959978
Li       1.40634002      10.33690003       2.74992995      -0.55406224       0.07689807       1.10984221
Li       3.87047996       0.94056203       2.03316998       0.24638616      -7.35167559       0.15181850
Li       9.66039999      11.41750000       3.67618003       1.08706505      -2.67645096       2.06744461
Li      10.95679997       3.33891003       0.83527100      -0.65879671      -1.04357048      -0.89024369
Li       8.22912999       6.01205994       7.31567005       0.10791449      -0.86025549       1.34913051
Li       5.15482002      10.32020005       1.99967995      -0.90195559      -0.73361038       0.57448044
Li       0.78728299       0.56481600       6.47889996       0.43057533       1.02587875       1.10463101
Li       8.97913002      11.41409998       7.96135996       0.10381579      -0.49364189       2.52835348
Li       1.34948996       3.59580004       9.15509996       0.88840372       1.75623160      -2.58289814
Li       2.47568002       4.93218996       1.18065998      -0.05663093       0.29227500       0.08718379
Li       0.27009695       8.03103996       1.76389004       1.08339281      -0.80598230       1.08247167
Li       6.97125997       4.04660002      10.42420004      -0.27035257       1.16566369      -1.05352867
Li       7.09371005       8.45509001       7.99245996      -0.32015293      -0.81053061      -2.07792526
Li       4.61912997      10.88179994       6.67989997      -0.81515746       0.76443680       0.16392954
Li       6.53795002       2.19916004       0.52544796      -0.02455528      -0.60147288       0.57134129
Li       3.71230994       8.64747005       4.99693000       0.11374421      -0.08258542       0.20118013
Li       0.77418001       5.23589999       5.49589001      -2.92714237      -0.34848877       0.44649667
Li       7.37492003       1.06838006       4.14879998       1.80995678      -2.36338431       1.80212004
Li       9.06059994       7.88622995       4.07626004       0.32240387       0.20113937      -0.98775194
Li       3.90340001       3.70325998      10.42290005      -1.40410212      -1.38915619      -0.43409827
60
Lattice="11.77414789 0.0 0.0 0.0 11.77414789 0.0 0.0 0.0 11.77414789" Properties=species:S:1:pos:R:3:forces:R:3 energy=-474.33176907 stress="-0.011216464281588899 0.0053035715786173086 -0.003141636655193914 0.0053035715786173086 -0.009270233086152395 -0.0005557025227065403 -0.003141636655193914 -0.0005557025227065403 -0.01635532678470601" free_energy=-474.33176907 pbc="T T T" config_type=melt 
Cl       9.51140004       1.51765999       9.66537999       1.22361866      -0.18651459      -0.67912471
Cl       9.35051996      10.14530003       0.50679500       0.29822592      -0.21287643       0.52397134
Cl       0.45582295      11.47930003       5.40883997      -0.53769342       0.08234139       1.00729157
Cl      10.63239994      10.29290004       8.12273996      -0.65536285       0.36232653       0.98556452
Cl       8.16543997       3.52557996       6.55328997      -1.40796471       0.65872583       0.09719661
Cl       4.59916996       5.40969995       8.05685996       1.47204458      -0.17768641       0.36753212
Cl       2.34142000       3.24581997       6.17874997      -0.59865179       0.60722831      -0.65769058
Cl       0.00324025       7.64122005       0.20635207      -1.87087131       0.58010671       0.06535682
Cl       1.84162002       2.26419996       1.73964001      -0.36014993       0.50636414       1.25214541
Cl      11.07429996       4.84135995       7.45787997      -0.70974980      -0.65431913       0.93893317
Cl       5.41170002       3.56397004       2.52507999      -0.67312376       0.33749559      -0.08404641
Cl       1.20381996      10.69579996       2.49861995       0.10934948      -1.35948191      -1.25431934
Cl      10.54399999       2.96471996       3.67439000       0.51875386      -0.59570874       0.65325651
Cl       6.57277995       1.46386003       4.73798999       0.47040703      -0.71851917       1.82332516
Cl       6.78656998      11.22810000      10.35110000      -0.19724503      -0.36011386      -0.82807935
Cl       8.83067002       9.00363002       4.90702001      -0.18354189      -0.09107895       0.24481109
Cl       1.40662001      10.93690001      10.92550004       2.13196375       0.72171728      -2.84213640
Cl       6.33612005       6.98896005       0.84925398       0.58316344      -0.09789164      -1.31672240
Cl       8.21034998       1.87660996       1.77101999      -0.56054840      -0.40335674      -1.22489606
Cl       8.26630003       6.93759003       8.32428005      -1.00779880       3.01929088      -0.68305048
Cl       3.13707005       7.63149002      10.70700000      -0.88220332      -1.42141733      -0.92529055
Cl       5.05286003       8.77553004       6.52252000      -0.44895972       0.17170180      -0.44045357
Cl       3.10528998      11.42440001       7.81163000      -0.04043449      -0.03455759       0.31046785
Cl       0.82849804       4.67671003      10.09410003       1.75306736       3.00316950       3.15906581
Cl       5.89115004       2.69341004       9.97740998      -3.31310904       0.79492467      -0.24437369
Cl       5.56861998      10.91920005       1.93883998      -0.45834944       0.25277700       1.23812558
Cl       8.93124998       4.89315996      10.78659995      -0.41348586      -0.32942760       2.27277884
Cl       8.48184005       5.41480004       2.93229996       0.54575625       0.67435338       0.68397639
Cl       2.29773002       5.98692001       2.33650995       0.24515375      -0.39629225       1.87282132
Cl       0.63169304       8.16409995       6.65853001       0.99357302      -0.81984337       0.28172560
K       10.92490003       4.54538000       1.10549005       0.66363942      -0.51564986       0.12209654
K       11.54560002       8.72752001       3.95453996       0.14049430      -0.13195684      -0.33226298
K        6.70123002       6.40824000       5.84108000       0.27095546      -0.34831896       0.07747467
K        3.42839002       1.39333995      11.52080002       0.45998330       0.05808334      -0.48237862
K        9.32234996      11.69708798       3.57664998       0.25905027      -0.00058474       0.12219898
K        7.02730998      11.56480001       7.28436000       0.05328056      -0.36051947      -0.10659442
K        0.24119495       5.04995004       5.04055004       0.38323666       0.20854823      -1.18757671
K        4.97059005       8.12655997       2.93754005      -0.34939437       0.11620490       0.77392252
K        4.50328001       2.12005001       7.40001003       0.73581729       0.46649313      -0.06007202
K        4.42216001       9.68803003      11.53849998       0.25926071       0.88238798      -0.43347408
Li       9.22754005       7.77849002       0.39508801      -0.12123818       0.06151404      -0.06327421
Li       8.95203005       5.25666005       8.85902005       1.24940697      -2.15618363      -1.58766388
Li       9.93365995       2.63626998       6.81752999       1.14933510      -0.06880859       0.11981504
Li       3.08254998       3.95249997       3.38063997       0.30422888      -0.52306185      -0.58116067
Li       6.91773999      11.74890000       0.62496894       1.31938798       0.59568715      -0.02183574
Li       0.65091999       7.90168999       9.76589000       0.31102463       0.11727990       0.01839999
Li       9.13643004      11.05310002      10.25210002       0.22355888       0.14879954      -0.50295117
Li       2.69605004       5.91347005       7.69739004      -1.27378812      -0.02505869      -0.01913826
Li       0.34436604       3.31950000       9.00057004      -1.30887779      -2.45357502      -2.50155656
Li       1.44996006       0.49940496       3.73398003       0.37115259       1.67960903      -0.10864294
Li       7.68231995       2.30959001      10.24059998       2.48913760      -0.21719925       0.81327788
Li       5.96760994       6.39007002      10.24289994      -0.23542931      -0.16493248      -0.24710572
Li      10.01479996       8.53994995       6.89356001      -0.32140749      -0.19512738       0.09917392
Li       6.03737000       1.36788000       2.82098999      -0.42124460       0.27372436      -1.25711130
Li       8.28831003       3.12685998       3.73449997      -0.34355039       0.32577006       0.31128253
Li       2.79564002       9.50939996       6.71184994       0.28230742      -0.19726681      -0.09436180
Li       0.18780602      10.52690004       0.48878103      -2.17806779      -0.78785560       2.31955109
Li       7.77811996       4.84593997       1.04671998      -1.06690371      -0.31652029      -0.43861602
Li       1.79883995       6.72161001       0.53522097       0.90095737      -0.20280196      -1.27619087
Li       0.85042704      11.45779997       7.72582001      -0.23214716      -0.18211755      -0.07338739
60
Lattice="11.77414789 0.0 0.0 0.0 11.77414789 0.0 0.0 0.0 11.77414789" Properties=species:S:1:pos:R:3:forces:R:3 energy=-470.75680528 stress="-0.00884921166364332 0.00355704989450811 0.004161185448250426 0.00355704989450811 -0.020444142028264455 -0.0014105494866549484 0.004161185448250426 -0.0014105494866549484 -0.023475388251027962" free_energy=-470.75680528 pbc="T T T" config_type=melt 
Cl       8.50222004       4.57970000      10.80009995      -0.66671780       0.66800098       0.69600969
Cl       2.60242001       2.24905004       2.56032001       0.10378694       1.14171677       0.35354137
Cl       8.12753004       8.02269997      10.93500001       0.15273987       0.15615592      -0.00084097
Cl       3.92238994       0.40122905       5.44325003      -2.17798213       3.54333661       1.38455161
Cl       9.98563999       2.73357001       8.43598999      -0.55357016       0.10241749       5.91300550
Cl       5.22126001       8.52940996       7.76110996      -0.21626583      -0.72870772      -1.13965868
Cl       2.01838001       6.69036000       6.65716998      -0.25573420      -0.54601233       0.66969589
Cl       7.14227994      11.00570000       9.66188001       0.26150959      -0.89575555      -0.36036537
Cl      10.46200000       9.34765002       1.19496004      -0.62087787       0.83865754      -0.22140043
Cl      10.49669994       5.26493998       5.96406004      -0.15029612      -0.37885354      -0.04631128
Cl       5.35089997       6.30321001       4.98001997      -0.53651355      -0.22567525      -0.48302877
Cl       0.43994398      11.57980004       3.44908003       1.34610021      -0.34325731       3.50502033
Cl       1.08554005       2.01765001       6.22399001      -0.27702449       0.99406337       0.57010074
Cl       0.45458195       4.18747005      11.15730005       0.61890823       0.28750004      -0.29366900
Cl       0.88358398       0.88273801      11.51899999      -0.38026484      -1.33587981       0.58112748
Cl       2.63437999      10.12219997       8.86889998      -0.24900137      -0.33692021       0.13097930
Cl       9.58211004       1.16383001       5.48250998      -1.02688611      -0.28831107      -0.80172899
Cl      11.19920000       9.85740998       6.14926997      -0.21301907      -0.04737933       0.56512783
Cl       4.31593000       3.78498999      11.69890002       0.55572163      -0.57391211      -0.22279118
Cl       7.19968998       4.16312005       6.84942003      -0.63112408      -0.57348944       0.73482684
Cl       8.19518994       6.57514997       2.80559000      -0.25469670      -3.40458030       2.50118467
Cl       6.64459001       2.80340000       3.40799002      -0.42508980       0.09299976      -0.16861669
Cl       6.00917998      10.11930000       1.64323999      -1.32233816      -0.68841383      -0.26201187
Cl       8.87264003       0.71235596       0.19365400       0.34545370       0.27637036      -0.19417789
Cl       3.64038003       9.02691999       4.37490000       0.67702299       1.34850089      -1.87667005
Cl       7.49812000      10.80020003       4.33162000      -0.50463034      -0.03109597       0.55170629
Cl       3.44209996       7.42716004      11.48829995       2.03153960      -1.95575602       0.02562680
Cl       2.73080002       1.41667996       8.98205001       2.47460197       0.82443440      -1.25324653
Cl      10.39470003       3.53600997       2.35453004      -0.00038580       0.02794781      -0.53871686
Cl       0.45567695       6.89170994       2.00566004       1.24290444      -0.43288823       0.24750676
K        1.50417000       8.96139003      11.54060001      -1.89615807       1.38518542      -0.01954656
K       11.25459996       6.07966003       8.80723994       0.16092249      -0.10620286      -0.22746062
K        7.42002997       8.24148001       6.02493002       0.85173936      -0.16343498      -0.45778764
K        5.41293996       5.97582005       9.15923998       0.00881000       0.19322306       0.48147515
K        0.94166597       9.06187002       3.87877002      -0.47912974      -1.74668728       0.16366952
K        3.86956005       0.46384503       0.87136795       0.44726956      -0.57484274      -0.49586662
K        1.47913004       4.81036003       4.64166004      -1.07343690       0.09118037      -0.72992995
K        3.74555001       3.71037003       6.48550996       0.42054921       0.02856779       0.12876231
K        0.12950597       0.51458595       8.50853004      -0.77040735      -0.88830381      -0.07566672
K        6.89453998       1.80462000       9.80709999      -0.10182579       1.22944290       0.01218013
Li      10.20229997       2.58654999       6.70563001       1.38465173       1.28627624      -4.90571124
Li       3.45811998       8.13829997       6.11954001       0.56843415      -0.79674726       1.91275295
Li      10.51840005      11.20950002       4.48647995      -1.61509911      -0.38465508       1.04778353
Li       7.16520998       1.71367000       5.40381005       0.53092369      -0.17472260      -0.36305352
Li       7.89110998      10.88380001       1.24307003       0.47652469       0.03518229       0.59331429
Li      10.48510005       5.92222001       1.33236999      -0.64094642      -0.76388922       0.13314205
Li       2.95567000       0.07039845       7.47149995       0.10671923      -0.98963908      -0.75419996
Li       4.58136003       3.53506004       2.19923998       0.60441927      -0.19929270       0.31891283
Li       8.77454996       4.00721997       3.77779999      -0.17420594       0.40588960       0.24038214
Li       8.41048000       4.19900000       8.80603003       0.16616521       0.01799859      -1.53052165
Li       9.34109994      10.30189996      10.87699997      -0.46322735      -0.48797855       0.16082000
Li       0.37743303       0.47826000       1.81804994      -0.69094585       2.36083417      -4.71849288
Li       1.85299997       1.39082004       4.44457999       0.29104925      -0.85471863      -0.61452006
Li       5.51106006       9.61870997       9.42591996      -0.26712903       0.38840592       1.17301806
Li       5.09890000       7.86253000       3.06872996       0.36591587      -0.11854473       0.02574959
Li       2.49757005       4.85523001       0.39606597      -0.96605485       0.86329520      -0.24310106
Li       5.02645002      10.85920005       4.87083994       3.07165305      -3.28975286      -1.68873648
Li       9.07750997       2.92888004       0.21184200       0.91647964      -0.15356806       1.01751758
Li       8.37023997       7.98484997       1.69887002       0.46914082       3.46469232      -3.12836842
Li       1.91944996       2.30129005      10.42999998      -1.05067159       2.42759267       1.97670674
60
Lattice="11.77414789 0.0 0.0 0.0 11.77414789 0.0 0.0 0.0 11.77414789" Properties=species:S:1:pos:R:3:forces:R:3 energy=-469.42318529 stress="-0.018728369101414864 0.00018150825959175053 0.0008174535272809294 0.00018150825959175053 -0.020578035381353634 -0.0011201609215242894 0.0008174535272809294 -0.0011201609215242894 -0.01823646674822332" free_energy=-469.42318529 pbc="T T T" config_type=melt 
Cl       0.23216795       9.89004003       9.53226995       1.18828780      -0.45059698      -1.14515487
Cl       0.55681005       7.35082000       5.68769005      -0.01376254      -0.26594488      -0.42972812
Cl       6.30919999       3.09235996      10.48399999      -0.09353076      -0.24623341       0.88737694
Cl       5.04422004      10.64209995       9.03133000      -0.28572272      -0.33437464       0.39600842
Cl       8.43744998       9.55905001      11.50890000      -0.34498101       0.01933166       0.08286998
Cl       3.33789004       6.43806003      10.86330004      -0.20230189      -0.16297088       0.27045463
Cl       0.46491601       3.47903005      10.66899999      -0.32793337       0.41738660      -0.24347545
Cl       2.01418005       4.25236997       2.00606001       0.14796569      -2.56253729       3.75706788
Cl      10.12010005      11.00320000       5.18351998      -1.96768967       0.33161446      -2.81040175
Cl       0.74563500      10.02549995       1.80620998      -2.68335318       5.52502365       2.37877517
Cl       7.05289002       6.53064004       9.89898002       0.27348187       3.18893111       1.80574731
Cl       8.73617001       4.83546004       1.62586995      -0.17846554      -1.11099825      -0.00618798
Cl      10.76160002       1.24219003       2.17600005      -2.15044139      -0.22697425      -1.37378676
Cl       2.62218998       0.84300497       1.06686001      -0.24000978       0.78857347       0.36041869
Cl       4.08259995       6.66475006       2.76514003      -0.25326296      -0.38733618       0.32121481
Cl       2.14890997       3.05633001       5.83435002      -4.07577653       2.98514052       0.30377314
Cl       4.68523004       3.85210004       7.81624994      -0.52714080      -1.28322460       2.34801979
Cl       8.66037004       4.04771998       8.21591998       0.61023984       0.34891908      -0.01383516
Cl       4.91837995       9.43208997       1.54852004       0.15300315      -0.46882902      -1.11549850
Cl       9.55010001       0.94393202      10.56990005      -0.21849405      -0.03843649       0.13733521
Cl       0.08822758       6.81321994       1.29406999       1.95868435       0.42775434       0.57712495
Cl       5.07383002       2.60098003       4.39913002       1.56702985      -0.22473629      -0.97292899
Cl      10.16000005       3.85000001       4.92820995      -0.15283460      -0.04369027       0.45179347
Cl      10.48480004       6.87070004      10.17080000       0.16680756      -0.32789976       0.40774232
Cl       2.84462000       0.09403988       5.66356000      -0.07003433      -1.84637206       0.52625695
Cl       9.34937999       8.02875000       3.13966001      -2.45966613      -1.28063605       0.61526954
Cl       4.09108004       7.76942004       6.65756994      -0.08205983       0.52607029       0.46741119
Cl       7.71014003      10.82250003       7.19582994      -0.42919257       0.51534134       1.47863727
Cl       7.09992998      11.62109998       2.36919004      -0.38650121      -0.92684323       1.45294713
Cl       7.52578996       7.52869994       6.08204995      -0.06890039      -0.18636303      -0.02874584
K        0.07662274      10.87259997       6.82690998       2.64942047      -0.45320681       1.79660459
K       10.04800000       6.91178004       7.43966995      -0.53592492      -0.11581020      -0.27412401
K        2.34114001      10.89730002      10.74639995       1.28440510       0.11575143       0.02007431
K        5.27507999       5.04875002       5.84558997       0.74472523       2.49505946      -3.33840608
K        1.84342005       6.54107994       8.46656003      -0.17919227       0.17678512      -0.52392300
K        5.13998001       3.90460003       1.78794003       0.03991268       0.20238061      -0.38093388
K        7.69763000       1.89268003       6.57878994      -0.33739732       0.00574053      -0.30556180
K        3.16445001       3.00786997       9.99158005       0.86116407      -0.33260655       0.42261622
K       11.54370003       2.82432997       7.45940001      -0.36029969       0.17572824       0.36227306
K        4.25869999      11.47229995       3.14401998       0.06368458       0.63027595       0.47479098
Li       8.08882006       1.00900998       1.15897000       1.17840629       0.96778401      -1.61713665
Li      10.89079998       9.00790003       2.57359996       1.18569570       0.63485795      -0.18894958
Li       9.70433005       5.79912000       4.05782997      -0.32219025       0.44793659      -0.35075999
Li       3.64879995       2.03725997       5.69686000       2.31637356      -1.69161390       0.63350374
Li       6.54770996       5.13509998       8.78370000      -0.82117155      -3.35717691      -1.38177615
Li       4.80160995       7.78320003       0.13115212       0.25089080      -0.45837447       0.24034814
Li       7.59017995      11.26689994       9.78257997      -0.16273963       0.01625111       0.01397859
Li       1.64821999       5.93368003       3.54451998       0.53727450       0.33660521       0.04468847
Li       5.70474997       8.06480998       8.22290994       0.56180552      -0.00003939       0.15909914
Li       8.16259004       9.69514998       5.53136999       0.45613281      -0.56882925      -0.74011301
Li      10.88399994       2.72198001       0.51482603      -0.06503967      -0.07872356      -0.49238409
Li       1.78366001       5.04972999       0.39322805      -0.84096541       2.15764208      -3.53398459
Li       9.21908998       4.91925006      10.49420005      -0.52351580       0.13677833      -0.40242448
Li       0.65271602       0.23263597       2.43556997       2.05254461      -0.04857853       0.09314600
Li       9.87983997       6.48705002       1.20185003      -0.88381880       0.92292103      -0.61630003
Li       1.54121995       8.70230002       1.14045998       3.63302337      -6.68209815      -2.71148726
Li      11.17000000       2.52113000       3.59793999       0.70415476       1.31277340       1.33519404
Li       7.45764001       9.14416001       1.90310003      -0.26978928       0.48118056      -0.25688561
Li       4.41887997      10.17689995       6.92165996      -0.33375950       0.02469624      -0.28655137
Li      10.17089997       9.83174999      10.18300002      -1.73725482      -0.15317910       0.91888293
60
Lattice="11.77414789 0.0 0.0 0.0 11.77414789 0.0 0.0 0.0 11.77414789" Properties=species:S:1:pos:R:3:forces:R:3 energy=-472.91332682 stress="-0.012438720994473771 -0.004385746171037874 -0.005064904171394086 -0.004385746171037874 -0.014412360260549872 -0.004350692476413397 -0.005064904171394086 -0.004350692476413397 -0.012878448375870847" free_energy=-472.91332682 pbc="T T T" config_type=melt 
Cl       4.59910003       7.22255997       5.17249997       0.19723020      -1.32615769      -0.22271170
Cl       3.45602995      10.36369999       6.91057001      -0.55816940       0.05394392       0.06822251
Cl       0.39664102       5.00209002       5.69088002      -1.41381363      -1.24729709       3.85696423
Cl       8.19864001       6.06750005       2.54861003      -0.07569598      -0.14377229       0.94718912
Cl       8.61724004      10.83299998       8.31311004      -2.10710980      -0.54740431      -0.29733180
Cl       0.33127695       2.23791005       1.11071000       2.00643331      -0.05177979       0.88113506
Cl       1.79125999       7.39188999       3.26034997       0.22287924      -0.05036377      -0.64200089
Cl       7.51141996       0.53014596       4.10156998       0.52366617       0.33194640       1.42007159
Cl      11.64010793       9.12120996       7.86924998       0.36500621      -0.70830107      -0.52235648
Cl      11.16259994      10.02850001      10.91960002       0.14370205      -0.12123473       0.56815052
Cl       4.55247004       3.64648998      10.29469995      -0.77072457       0.55761558       0.76594742
Cl       4.20704998       7.76161001       0.02999029       0.88653589      -1.72267399       0.21512157
Cl       5.50975995      11.55649994      11.05590003       0.89838211       0.24477021      -0.56920523
Cl       0.73158397       1.83034003       9.57727004       0.08099309       0.23821312      -0.68744250
Cl       8.42008994       6.72392998       6.45370999      -0.03556483      -0.40869576      -0.21736590
Cl       3.73732000       6.66649004       8.19430005       1.39394143       2.23745366      -0.21473560
Cl       4.12971997       3.29473002       3.72546002       0.02160980       0.03615545      -0.09015033
Cl       7.67231004       4.55870999      11.65180001      -1.90890394      -0.58074618      -0.75567870
Cl       1.49601004       6.46065003      10.72399998      -0.19214765      -1.47807448      -0.65459524
Cl       3.36053997       3.60069997       7.43128005      -0.24824118      -0.67331445      -1.56477684
Cl      10.90059996       5.29831003       8.86616001      -0.18600995       0.36814441      -0.04185262
Cl       4.07501999      11.18769995       2.52178005      -1.71809214      -1.70529942       0.12035238
Cl      11.20790004       0.46258696       4.48529994       0.32402377       0.35206861       0.04213886
Cl       8.51086003       7.85304004      10.59769999      -0.93749251       0.45652260       0.55373545
Cl       9.17737994       1.38050000       0.83359896      -0.97067292       0.16976624      -0.59979061
Cl      11.12269995       5.25721002       1.68922004       1.34404862       0.20059279       0.49558175
Cl       2.97442998       9.99691998      10.68460003      -0.23235581      -2.09937332      -1.66847440
Cl       9.37014005       2.21261000       7.71993000       0.19972924       0.34153789      -0.37993478
Cl       6.30615001       8.39436002       1.97840995       0.09744240       1.25862167       0.96694482
Cl       9.19277994       9.44602997       4.80932002      -0.03674777      -0.70700200      -0.38229666
K        1.16261998       9.48644002       5.01941002      -0.34011267       0.24771679       0.57810980
K        9.76041997       8.70043994       1.84331997      -0.05285813       0.02196272      -0.17233080
K        7.83403998       5.62353001       9.04551996      -0.02014016      -0.50467523      -0.76669583
K        8.68796005       3.77888003       4.56523004       0.04051251      -0.02507462       0.19073341
K        6.02014996       0.97256805       2.10508000       0.77222761       1.82271553      -1.65276904
K        4.03257995       1.07320004       8.15429998       0.11045870      -0.45540934       0.64217829
K        6.94916001       2.09009999      10.24409996       1.04809482      -0.14529250      -0.18762697
K        2.28119994       1.00846001       3.96642996      -0.08669052       0.46885478       0.11615095
K        5.85120000       9.48577996       5.79846995       1.21088599       1.06692306       0.02077151
K        2.37112994       0.32639304      11.56690005      -1.25505193       3.41113134       1.54376034
Li       2.09340005       4.37515997      11.61783889      -0.26161630      -0.15352923       0.10126734
Li       9.50373000       4.85739999       0.50174201       0.78893715       0.55269040       0.67095970
Li       4.07524005       6.09731996      10.22830000       0.02911877      -0.19552827       0.67843288
Li       2.43379997       5.22024002       8.27206995      -2.11086555      -0.52124350       0.50820732
Li      10.92580005       2.72881996      11.20920002      -0.33448068      -0.51851972      -0.77163347
Li       1.00933000       5.39553000       4.03425000       1.28460084       1.09630670      -4.46316611
Li      10.53119996      11.32179996       8.80367002       1.30296654       0.05149594       0.63985615
Li      10.53469994       7.85853998       9.69080002       0.71897909       0.33805479      -0.18872170
Li       6.91063995       6.72808002       0.62340604       0.21235872      -0.16325205       0.11556101
Li       0.34675207       2.85475001       7.13861995      -0.65075922       0.21089746       0.70210602
Li       4.25449003       7.81459003       3.11209002      -0.18211484      -0.06181584      -0.64027384
Li      10.56550005       1.42935000       2.48762996       0.00753420      -0.26118143       0.08283120
Li       7.52718001       7.38907997       4.45321998       0.36594408      -0.04721981      -0.50290520
Li       2.62804997       8.72683005       9.04473004      -0.33106048      -0.40955311      -1.18355392
Li       9.13017997      11.59620001       5.30597995       0.24715361      -0.09491583       0.54199400
Li       7.10096999       9.81814002       9.70257005       0.53758684       0.13063438       0.33630417
Li       1.99685003       8.16587997      11.70980005       0.01135098       1.00802576       0.80264792
Li      10.86259995       6.72994999       6.72751003      -0.34811947       0.07971805       0.52201511
Li       4.73064999       9.99592000       0.58133796       0.03520998      -0.68249554       0.42642226
Li       4.23720004       4.57063002       5.53979004      -0.06393194       0.45671611      -0.08148749
60
Lattice="11.77414789 0.0 0.0 0.0 11.77414789 0.0 0.0 0.0 11.77414789" Properties=species:S:1:pos:R:3:forces:R:3 energy=-472.86235834 stress="-0.0072127315053628835 0.001828856445637632 0.004174053236815275 0.001828856445637632 -0.022740149261326684 -0.0032710468009345705 0.004174053236815275 -0.0032710468009345705 -0.013869819183171046" free_energy=-472.86235834 pbc="T T T" config_type=melt 
Cl       9.11856996       2.79510994       8.35823999       0.03325143      -0.06911981       0.20535382
Cl       2.64247001      10.78399998       6.88684004       0.35169478       0.25790092       0.10929995
Cl       4.61595001       0.76004597       1.60775000       0.74824187      -0.82367109       0.24040611
Cl       1.00775002       7.40297005       3.38358998       0.40456393       0.37318344       0.26343087
Cl      10.44989994      11.02939995       8.92257996       0.42903043       2.62987099      -0.22145802
Cl       9.17047005       8.33880994       9.64667004      -1.88210660      -1.74398820       1.00957594
Cl       4.90526001       9.41958005       4.05435000      -0.71257169      -1.10698143       1.68563785
Cl       1.47991996       4.16629000       0.50408094       0.04810649      -1.41536733      -1.02657948
Cl       6.42457004      11.43940003       8.94347001       1.18913921      -0.43759601      -1.63973627
Cl       7.87536005       8.31122994       3.14122998       0.69235333      -0.25004290       0.77789896
Cl       5.34895006       2.75212995      10.95549998      -0.21798970      -0.24271614      -1.23826389
Cl       6.25338994       9.84881003       0.72929096       0.50442261      -0.37235309      -1.79197183
Cl       6.47243995       8.80719002       7.31564002      -1.01277038       1.55939932      -1.65674535
Cl       5.86106002       5.88180996       8.17190998      -1.00426421       1.47103392       0.02460351
Cl       7.15224005       4.03947996       5.60361004       0.02505073      -0.19633098      -0.27202987
Cl       2.95614002       4.66861000       4.15991995       0.67663272       0.02465191      -0.38775457
Cl       7.42805994       0.22973199       4.29616003       0.33921730       1.33585941      -0.32332633
Cl       2.02108005       7.09650994       9.06675005      -0.40915701       0.74051246      -0.76115642
Cl      11.05370003       6.74149996       0.43597904      -0.69266771       0.19991135       0.11692907
Cl       1.82733998      10.62340002       3.12488004      -1.01243801       0.64565787       0.74862953
Cl       9.83225004       6.17498000       7.08511998       0.07724105       0.35899540      -0.54531411
Cl       1.36767996       1.54740997       4.77992998      -0.55058479       0.27966772       1.07683924
Cl       0.03439594      10.64280004       0.38943300       0.84016042      -0.25510695      -2.17815566
Cl      10.92469999      10.46989998       5.21415996      -0.51930581      -0.57346257       1.41170655
Cl       2.78560997       7.53531995       0.27958797       0.96314844       0.70644382       1.16867972
Cl       2.93067996       3.97444003       8.07905999       0.67135626      -0.67049147       1.32058481
Cl       6.73521998       5.76715001       0.52200897       0.16320007       0.23153724       0.26761471
Cl      10.46359999       5.00698995       3.57433000      -0.49970336       6.11632723       2.39429769
Cl      10.12810000       1.73745001       1.79568000      -0.28667975       0.00829510      -0.86730347
Cl       2.53791004       0.35489896      10.58239996      -0.11434019      -0.37562367      -0.47403085
K        4.13785002       5.48959002      10.69069998       0.03741376      -0.36331851      -0.16804317
K       11.31510000       5.15996003       9.82419005       0.09500961       0.06758475      -0.05189196
K        5.59308996       6.12680996       4.03623995       0.11676246       0.19603213      -0.33079274
K        4.58033003       2.41428997       6.22228994       0.05220992      -0.20381619      -0.45172225
K        4.73898997       9.05878001       9.72517005      -0.15481227      -0.22753191       0.40679064
K        1.12048996       3.97557000       6.18792003      -1.40418810       0.54018891      -0.63652901
K        7.14547003       2.85838998       1.35492997       0.19219177      -0.01151894       0.45702213
K        2.34106996       1.92305003       2.33738006      -0.65933107       1.39338320      -0.48115617
K        3.44919000       8.10886001       6.51558997       0.04907020      -0.73465509      -0.06410547
K       10.56759997      10.82250003       2.58705004      -1.43063295      -0.25052630       1.09383844
Li       8.87951001       5.44131000       5.12928001      -0.16431557      -0.33827805       0.35868358
Li       7.71254996       7.39957003       7.90225998       1.29201914      -1.46111386       0.59474847
Li      10.82049996       9.08658996       8.90833996       1.63159725      -1.34659509      -0.71998483
Li      10.80520004       0.64047997      10.78029996       0.35060698      -0.19038182       0.41803355
Li       3.11160999       9.11011000       2.98256003       0.01626172      -1.88164489      -0.45311606
Li       5.81784996       0.38699199      10.60059997      -1.15986691       1.28459658       2.63234301
Li       1.57612994      10.80180002       8.71478003      -0.22897049       0.37569408       0.75965773
Li       3.12063005       2.34334001       9.72298995       0.34982867       0.33859790       0.28443254
Li       6.88393995      10.21250003       5.02119004      -0.05502348      -1.67732974       0.95911809
Li       9.14378995       1.42402997       6.54751004      -0.26623572      -0.20191658      -0.09394099
Li       6.88593001       4.25775005       8.47992004       1.47351044      -1.90346700       0.22110448
Li      10.79249997       7.36627003       4.52712996       0.17807735       0.20437754      -0.15572761
Li       8.00716999       7.75950997       0.94271599      -0.19915503      -0.29694217      -0.10782526
Li       1.19498005      11.16490002       5.20328995       0.03332578       0.11131364       0.16002340
Li       1.81984998       5.76705005       1.72067998      -0.10602549       1.14232491       0.89197487
Li      10.53679998       3.38552000       3.03529997       0.58976643      -5.72433568      -1.94365556
Li       8.48568996      10.34470005       9.88887003      -0.75454005       0.38001420      -0.24923214
Li       0.81380402       8.26136996       0.43133896      -0.68923128       0.41660868       0.12558254
Li       2.61111004      11.24959995       1.39775996       0.70013819       0.31687947      -2.06194864
Li       5.85650002      10.48819995       2.67650000       0.87230687       1.63937935      -0.83134381
60
Lattice="11.77414789 0.0 0.0 0.0 11.77414789 0.0 0.0 0.0 11.77414789" Properties=species:S:1:pos:R:3:forces:R:3 energy=-467.44709717 stress="-0.03346236721593785 0.005416715777357073 -0.005807322843940977 0.005416715777357073 -0.0318608274376837 -0.003532156846212295 -0.005807322843940977 -0.003532156846212295 -0.024020794930076663" free_energy=-467.44709717 pbc="T T T" config_type=melt 
Cl       3.55621006       2.72430999       4.63108002       1.98483061       0.30956599      -0.03621924
Cl       4.73619997       1.67534998       9.82474002       1.01544114       0.52722169       0.41212703
Cl       3.21648998       8.81409002       7.66910995      -1.67217534      -0.37142652       1.79483586
Cl       5.08854005       5.53655003       0.05942942       0.05318286      -0.19350575       0.23947575
Cl       7.60866995       6.64757004       1.73309005      -0.07445667       0.50777111       1.08465555
Cl       8.85667005       5.69647004      10.68550005       3.06987161      -0.67965762      -1.03033519
Cl       7.99034002       3.08480002       9.44980005      -0.77812771      -0.66148908      -0.61794594
Cl       2.42261994       0.12666299       1.56969996       0.37610920       0.61223466      -0.50000822
Cl       4.75065003       8.83217994       4.33470000       0.39389514      -0.12827763       1.18893126
Cl       2.24084005       3.59539995       0.03605209       0.03544687      -2.16024004      -1.16469646
Cl       3.29213005       8.46784000       1.51848995      -1.65674888       0.77293892      -1.53260538
Cl       3.05799005       5.11877995       8.63045994       2.52639490      -1.70275075      -3.21447542
Cl       0.79187797       8.90160997       4.10722004      -0.46963616       0.09591864       0.37542626
Cl      11.25790001      10.05730004       7.21562005       0.26667459      -0.08120907       0.75268592
Cl       0.24058999      10.94630002      11.55079996      -0.37840303      -0.71663665      -0.35122718
Cl       1.02586997       7.15964999      11.32459997      -0.75094290      -0.01741086      -0.47688518
Cl       8.68073002      11.25369994       4.77322001       0.75785285      -0.53295947       0.02017813
Cl       2.25183004      11.40749998       4.83321000       1.58897858      -0.48817473      -0.05740028
Cl       6.21726002       8.01959996      10.39419998      -2.18756438       1.77290912      -1.06877398
Cl      10.87090002       2.85423995       3.15905003      -0.30978230      -0.04701330       0.18186863
Cl       7.58841995      11.15170003      10.57389997      -0.36710646      -1.56604478       1.28647970
Cl      10.92930003       4.53483001       6.76687996      -1.15901050       0.80691783      -1.26964368
Cl       1.62539003       5.49644999       4.44141004       3.72518583      -1.70550745       2.02911525
Cl      10.03959997       1.62661996       0.03982664      -2.09345076       0.17555035      -1.04339478
Cl       6.70395997       0.36766095       2.74863997      -1.79216641       0.96700278      -1.77182556
Cl       5.73737001      10.84230003       6.78586000       0.27613442       0.14053296       0.74793871
Cl       0.23484998       3.70235996       9.25386999       2.28201539      -0.50498260       2.30115831
Cl       0.63408202       2.02573002       6.02876004       0.08414587      -1.49568779       1.76104153
Cl       8.58414998       7.74435994       6.74920001       0.00953216       0.39951961      -0.25553595
Cl       7.73095001       2.70337002       5.42946003      -0.06675926       0.96683728       0.44714263
K        8.22305994       5.04467005       7.35939005      -0.16261238       0.04680234       0.39191775
K        4.40300995      10.91939997      10.96189994      -0.05191396      -0.71920094       0.81263294
K        0.15131099       7.08959004       7.45591004      -0.14111608       0.46126947      -0.04167656
K        8.52305004       3.63927997       1.19337994      -0.31076847       0.83719513       0.21821984
K        8.55054998      10.46890000       1.67064997       0.70277791      -0.67430222      -0.40320343
K        2.12784002       1.38833005      10.04499995      -1.57877083      -0.17802868      -0.19436682
K        5.19569998       2.29278994       7.18391003       0.23206099      -0.42657838      -0.68824918
K       11.53889994       6.53683995       3.53372002      -4.44164688       0.72353990      -2.01435766
K        2.32460004       5.62499001       1.40432004       0.68907511       1.58029058       2.12039647
K        6.08516998       5.55882000       4.69229994      -0.09122434       0.23728563      -0.49576296
Li       2.49039994       8.98767004       5.89794996      -0.48288486       0.78956410      -3.06691581
Li      10.14900005       3.45903001       9.41791001      -2.52960377      -0.06769802       0.66260862
Li       9.48325994       9.79415997       5.95337994      -0.01429060      -1.08472594       0.72585566
Li       3.18910001       0.95148596       3.41850998       0.21304954       0.05395101      -0.06575391
Li       1.07439994      10.21839994       2.35807995       0.80638348       0.04238864      -0.17867419
Li       8.03781998       1.19254999      10.45060003       0.99220369       2.65076469      -0.08253339
Li       1.21322998       4.09113997       7.57529001       0.72019038      -0.16838785      -1.42652361
Li       0.08089558       1.19865994       0.59612899       1.95244779       0.14584981       1.23309750
Li      10.34519998       2.41350004       5.74407998      -0.67315275       0.58981247      -0.58290856
Li       1.59862998       3.24726996       4.74040004      -0.75047711       1.05695849      -1.14845879
Li       0.28905498       8.99621996      10.77299998      -0.28013956       0.35226339      -0.38234116
Li       2.07124004       5.98354001       9.90548995      -1.63482703       0.95852453       2.71675974
Li       7.17397995       6.48002003      11.03960001      -1.23698478      -1.03838159       1.96147783
Li       4.41914995       3.92166995      10.65920002      -0.55096029      -0.50459183      -0.09861658
Li       6.00344998      10.79520002       4.21915004      -0.28585720      -0.65106024       1.42833115
Li       0.56928900      11.40749998       5.91404004      -0.83117342       0.46091515       0.37086553
Li       7.06726002       9.59533994       9.51524995       0.88714503      -0.16667568      -1.96031076
Li       4.94087999       8.62491997       8.50923002       1.85022350      -0.34316308       0.27897225
Li       8.15167999       1.27021003       3.91431994       0.56681348       0.85305273      -0.05111382
Li       4.91659004       8.04423995       2.47058005       1.74667217      -0.81958041      -0.27145614
60
Lattice="11.77414789 0.0 0.0 0.0 11.77414789 0.0 0.0 0.0 11.77414789" Properties=species:S:1:pos:R:3:forces:R:3 energy=-472.82823174 stress="-0.016511872340760098 0.0027434957750196126 0.0008469420115008584 0.0027434957750196126 -0.013348668556479789 0.002579291955924664 0.0008469420115008584 0.002579291955924664 -0.016225280117381675" free_energy=-472.82823174 pbc="T T T" config_type=melt 
Cl       2.56723003       7.17224997       1.80925995      -0.78259434      -0.45611062      -0.65369271
Cl       0.85077897       7.38805998       7.69771995      -0.20791468      -1.11702074       0.39962568
Cl       3.97532003       4.63640994       8.23109003       0.32484974       0.49515711       0.12396565
Cl       7.57499000       2.58738996      10.41140001       0.99122190       1.24778311       0.45337534
Cl       9.46385002       0.36073799       3.70770001       1.20283845       0.24481913       0.14240352
Cl       1.45945002       1.07397996       3.42186997       0.19640114      -0.36232395      -2.10112093
Cl       0.17894103      10.05969997       1.78704002       1.11179098      -1.49590347      -0.11072674
Cl       9.31930999      11.12060003      11.64726190      -0.56300009       0.42365288       0.87574784
Cl       5.69290000      11.15939997       0.54173196      -1.05882716      -0.03600979       0.13822063
Cl       9.94170994       5.04780998       9.30146003       0.10312945      -1.41087537      -0.66147589
Cl      11.07720005       7.26729996      10.75479998       1.53087767       2.14564217      -0.47012711
Cl      10.93710005       4.06717004       5.66412998      -0.07914022       0.81036726       0.01313796
Cl       1.47787998       0.13505207      10.17640002       1.55858313      -2.00098310       1.35088808
Cl       7.30029996       4.59190002       5.73775997       0.25565979      -0.06709009       0.34456093
Cl       7.40889999       9.31474999       3.29403004      -1.60504501       0.06131386      -0.00360352
Cl       3.52132997       8.71558997      10.15000003      -0.10437289      -0.27849445       0.37896885
Cl       7.37819995       6.58282000       8.29829003      -0.67810077       0.26038348       0.03736713
Cl       3.48195003       4.25320994       4.51934995       0.07036646      -0.48606936       0.28795209
Cl       3.71740002       7.56693001       5.59308996       0.53448441       0.48640062       0.15589612
Cl       1.47182995       2.37669005       8.30236000      -0.71281536       0.01549254      -0.94137742
Cl       7.43159995       7.89278002      11.22890005       0.02294361      -0.14619243       0.65971929
Cl       6.18027001       4.47846999       1.93743003       0.89074498      -1.29178123       1.04710646
Cl      10.63090003       8.59516999       5.43606003       0.09227123      -0.34582287       0.73509338
Cl       2.43927000      11.00000002       6.32785000      -1.73010956       0.41162791       0.22898416
Cl       5.15559005       1.42407000       8.97517002      -0.96175226      -0.46657766      -0.10778573
Cl      10.26569999       0.31003003       7.86219997      -0.41463484       0.78491639       0.08820202
Cl       4.86412997       0.58847603       4.87115996       0.06483619      -0.15554596       0.15510993
Cl       1.53700998       3.17709003       0.42735212       0.20316605      -0.85331024      -2.39249510
Cl       5.49135002       9.98689994       8.17614997      -0.89292669       2.23830576      -1.27066376
Cl       9.46863998       6.46607002       2.92983999       0.83669059       1.25655001      -0.88797174
K        5.31570999       5.76371997      11.68769998      -1.10713305       0.64568180      -1.83867423
K        6.94122000       0.57108303       2.99343004      -0.77213838       0.42381592      -0.43267885
K        6.86720994       8.57653999       6.52626995       0.92031990      -0.35682644      -1.92737667
K        5.13471002       6.92297996       2.84225999       0.49550746       0.06635712       0.90235863
K        0.94846401       4.60021998       9.73379002       0.40407587       1.13842314      -0.08384133
K        1.13912997       4.05344998       2.68916004      -0.34610426       1.33728818       2.64591128
K       10.88370005      10.08030002       9.60358997       0.30497692      -0.86491675      -0.07997642
K        2.91455997       9.74304003       2.93537996      -0.07891257       0.63398563       0.43516331
K       11.70240000       1.26468995       5.50841005      -0.76473962      -0.28300397       1.59568765
K        8.90905006       4.00530997       3.45467004      -0.58000623      -1.60617522       0.03987197
Li       3.13403998       1.91674003       4.24862002       1.20565443       0.55941651       0.48450882
Li       9.36533997       8.88298998       3.74698999       1.05720763      -0.34702556      -0.50483997
Li       4.34691002      10.38460004       6.27151000       0.95581822       0.00724024      -0.16395053
Li       2.99343004       6.55751995       7.69024996       0.02443340       0.55216081      -0.20611413
Li      10.73979995      11.64098687       1.87835995      -1.21038332       0.95264690      -0.14570769
Li       0.65237904       8.24673999       0.45746297       0.57316521       0.10818878       0.33407019
Li       1.39412999       9.15288995       6.69063999      -0.10251541       0.15840916      -0.46144216
Li       7.31467996       9.81943000       1.07746004       0.90201091      -0.44531348      -0.59182341
Li      10.32880000       5.96735998       0.16309196      -1.22804261      -1.21836526       1.63183465
Li       8.11003001       5.63619005      10.12069995      -0.55300824       0.20883050       0.20877052
Li       3.82087995      11.12180005       9.65011999      -0.05692147      -0.17734918      -0.30285028
Li       3.43921000       2.54519000       7.51760999       0.63739747      -0.30339916       0.24110143
Li       0.01985216       1.46594005       9.92166998      -1.23488519       0.82904368      -0.94436528
Li       9.08855000       5.97257004       6.97163003      -0.28867236      -0.73636832       0.26721234
Li       2.35754999       1.12741999       0.26483096      -0.16126252      -0.12102160      -0.02333207
Li       5.16508002       4.89412002       6.20899999      -0.48712895       0.01464103      -0.16335060
Li      11.27779997       6.29773998       5.69408000       0.75185327       0.48840923      -0.24111532
Li       6.21629996       8.90742004       9.59429004       0.35382581      -1.54947029       2.03485901
Li       6.36677004       0.91218103      10.96080000       0.08020882       0.15802429      -0.68332341
Li       8.03399998       2.75472003       8.23361994       0.10577699      -0.18562862      -0.04187186
60
Lattice="11.77414789 0.0 0.0 0.0 11.77414789 0.0 0.0 0.0 11.77414789" Properties=species:S:1:pos:R:3:forces:R:3 energy=-472.18688958 stress="-0.009358422907527674 -0.005118722089394253 -0.0016620419468300358 -0.005118722089394253 -0.019280157417710837 -0.005334185319551506 -0.0016620419468300358 -0.005334185319551506 -0.01670165272205675" free_energy=-472.18688958 pbc="T T T" config_type=melt 
Cl       9.66726997       3.19132003       9.93445000       1.72886491      -0.15836211      -0.03729004
Cl       4.03882002       0.18455211       3.34415000       0.67668899      -1.67989387       0.74532472
Cl       7.59085001       0.94107397       9.38741002      -0.24334147      -0.73146788       0.32488944
Cl       4.13506002      10.17879995       9.14938997       0.15637324      -0.78298152       0.80447146
Cl       6.29570999       7.52854005       1.60140998       0.06109642       0.84219999       0.06530308
Cl      11.27059996       6.88803005      11.09920004      -0.52041300       0.23093039       0.61108235
Cl       4.83391998       3.15881997       5.82747003       0.24686897       0.08644728       2.98841476
Cl       2.75945994       5.25354001       3.84054996       0.35544623       0.51946384       0.29520668
Cl       8.87251005       7.02033003       7.52446996       0.18902202       0.58566352       0.78272972
Cl       2.02827994       0.67541599       7.66501996      -0.33606744       2.80058830      -0.56230999
Cl       1.84032004       4.21794001      10.83350003      -0.13105178      -0.12996168      -0.00344374
Cl      11.31820002       5.67804997       5.12286004      -0.03755361      -1.31465888      -0.90095768
Cl       1.87640003       4.38231995       7.35658003      -1.12468304       1.29812252       0.04181586
Cl       8.25228997       0.40495404       1.71966999       0.10870030      -1.61363834      -0.53332081
Cl       5.31547003       7.55589999       5.07396000       1.53455372       1.32746787       0.57237964
Cl       1.20016998       9.69025994       6.31588994      -1.03044610      -1.10772659      -0.72109911
Cl       7.82675001      11.12799996       5.96894996       0.33151036      -0.67755549      -0.38645993
Cl      11.63070003       3.53855001       1.56053002      -0.82148970      -0.72734492      -2.19382969
Cl       2.14760999       8.02172001       1.24088004       0.44374073       1.21596624       2.67445741
Cl       8.15385998       8.75169999      11.09300001       0.26471921       0.94204846      -0.28114861
Cl      11.49479999       0.14625211      10.74710004      -0.28357230      -0.27719464       0.66638952
Cl       5.22685002       4.27226004       9.83001001       0.00084068      -0.12486171      -0.38243600
Cl       7.93066005       5.58233003      11.02399997       0.52042931       0.01101818       0.52258330
Cl       8.95427997       2.43091000       6.26938995       0.74052108       1.86066056       0.29899450
Cl      11.29099997       1.04836000       4.24551000       0.74116002       0.81148045      -0.76337204
Cl       9.41415994       5.93194004       2.84932001       0.62281047       1.04420059      -2.95982554
Cl       3.27292005       2.63864000       2.02260999      -0.39242547       0.58250317      -0.29035053
Cl      11.15710000       9.32340999       2.81543000      -0.85803585       2.43332947       0.74885420
Cl       2.36034000       7.26517002       9.69466995       1.21454671       1.97322450      -2.63573105
Cl       6.57131995       3.48536995       3.10650001       0.48022443       0.50601137      -0.04841908
K        5.42303005       7.16003995       9.04065995       0.50272109       0.24659708       0.06817787
K        3.28695001       9.07118996       4.07472999      -0.76721613       0.24159061      -0.28145462
K       10.53830001      10.52190003       8.41130996      -0.15371767      -0.22168178      -0.24357505
K        9.18705005       2.82071000       2.41704005       0.20089896       0.71093199       0.67208082
K        7.66278005       8.92945995       3.52712002       0.23701224       0.54018575       0.64099976
K        8.43714998       5.64348001       5.12253001      -1.22408206      -0.73266583       1.84956637
K        5.35482995       0.15384996       7.51005004       0.05471483       0.71735855      -0.35709682
K        4.62117997       5.48976003       1.25455995      -0.92975542      -1.10447326      -0.30367201
K        6.35269004       2.30906005       0.37880495      -0.51248218       0.19810636      -0.56798635
K        4.32189997       9.75373002       0.56999804       0.19736227       0.31813591      -0.36025291
Li       0.43811004       2.27748002      10.98140005       0.33397541       0.66693227       0.07745193
Li       2.31719999      10.55330004       7.93466997       0.50916229      -1.70916101       0.74142409
Li       1.79100002       6.96123005      11.47650002      -1.57899832      -2.29808335       0.04331721
Li       7.49345002       1.45970999       5.47452005      -1.73676891      -0.86204841      -1.15865581
Li      10.36020001       2.46282995       7.72650998       1.13423185       0.36111989       1.19743818
Li      10.57380000      11.43389998       1.77627998       0.04779500       0.10590357      -0.31344953
Li       2.79958000       5.46425005       8.86501003       0.24410700      -1.56873616       0.86426333
Li       8.69662005       7.10119005       1.05125997      -0.67938103      -0.34559118      -0.70397012
Li       8.27600004      10.94060003      11.01570002      -0.02017035       0.74921446       0.04910153
Li       7.89250003       3.29772995       8.81179995      -1.11996015       0.10835718       0.00190657
Li      10.28359999       4.86330001      11.46279998       0.10481731      -0.07837271      -0.08305969
Li       4.71214998       2.93573001       3.93722996      -0.98511997      -0.61751075      -2.85128578
Li       2.11770001       1.16730998       3.46705998      -0.26862040       0.24737156      -0.42166802
Li       9.39449994       7.21812994       9.92310996      -0.45435658      -0.43077088      -0.43184255
Li       0.86480198       4.23986995       3.05236001       1.34709141       0.98033692       1.79457793
Li      11.46069994       7.44169005       2.32390996       0.46765940      -2.16883789      -0.61740175
Li       2.50314004       2.82121994       6.37691005       0.79887663      -1.52253994      -0.35035657
Li       4.63580004       5.73597996       5.21530005      -1.21197450      -2.26639466      -0.08088371
Li      10.79390004      10.89450001       4.64107003      -0.02663387      -1.26587629       0.42383614
Li       0.31733695       7.09646002       6.20829001       0.84977382       1.25492297       1.25956674
60
Lattice="11.77414789 0.0 0.0 0.0 11.77414789 0.0 0.0 0.0 11.77414789" Properties=species:S:1:pos:R:3:forces:R:3 energy=-468.07766452 stress="-0.02605415857906894 -0.003488612626995587 0.00038929774152400364 -0.003488612626995587 -0.016408227531664654 0.0006471459554080144 0.00038929774152400364 0.0006471459554080144 -0.013565260432490765" free_energy=-468.07766452 pbc="T T T" config_type=melt 
Cl       0.30010596       8.42488002      11.59469999      -0.58461836      -0.35659092      -2.19513585
Cl       3.35053006      11.39209999       3.48673999       0.53226978       0.12274664      -0.52287683
Cl       0.46690395      11.39300000       6.52699994       0.86646573      -0.69167064      -0.53033472
Cl       6.73301998       0.05669617       8.12145999       1.72292065       0.60741468       1.51206231
Cl       2.72732994      10.01599998      10.38549994       0.40811253      -0.39592087      -0.05746674
Cl       8.92146001       4.96660003       2.47852995       0.53105833       1.41219562      -0.61048047
Cl       5.50237003       9.46644999      10.44009996       2.10384257      -0.57855112       0.01608717
Cl       5.11958000       3.77875005       9.17200999      -0.06512450      -0.09659744      -0.16078338
Cl       9.53281003      10.51509999       9.40618001       2.81602960      -1.78243046      -0.67598307
Cl       7.95227997       7.27696995       6.16473002      -0.07362531       0.15831005       0.64737795
Cl      11.18949999       1.24737995       1.24178005      -0.13849696      -1.04252808       0.27579589
Cl       0.40113097       7.46844998       5.52631005       0.32275690      -0.61063354       0.59835943
Cl       4.83419997       7.11500995       8.14894003       0.87914711       0.48626834      -0.15276985
Cl       0.28740000       9.11782995       2.46071002      -0.51997258       0.50553703       2.16142098
Cl      10.95299998       2.04500995       8.70954995      -0.60325544       0.01331785       1.53757953
Cl       1.79612000       5.88494000       9.19429998      -0.43388507       0.26066915       0.24028071
Cl       8.17844004       1.19348003       3.36658999      -4.63509590       4.57325068       4.13759325
Cl       9.57701995      10.26729998       4.42425004      -0.43394625      -0.57645685       0.25676827
Cl       5.20690002       4.08713994       4.15540998      -0.12638586      -0.20359130      -0.36595034
Cl       3.77694001       3.05172997       0.66089599       0.23081180       0.13343708       0.41923326
Cl       7.62616998       2.44182004       0.39837099       0.08701692       0.44124786      -0.69211012
Cl       8.48913002       9.99864995       1.15100997      -0.99089629       1.81132396      -0.43552686
Cl       7.15975996       2.76489995       6.25323005       1.29170427       0.48960564      -0.72782870
Cl       3.39834004       1.00891001       8.06972003       0.23586149      -0.59686172       1.50003337
Cl       5.40612002      10.58829999       6.07384996      -0.62751091      -1.80734963      -1.26148970
Cl       7.75031001       5.35111002       9.32144995       0.99151743       4.04100445      -3.24718785
Cl       1.82364996       3.18175000       6.38317001      -0.52033756       0.96917872      -0.29590755
Cl       5.28822995       7.25777997       3.89181001      -0.90206755       0.83399853       1.20085632
Cl       0.08669493       4.14498998       0.40967300       6.24343025       5.52074399      -0.48780549
Cl       3.97456001       6.59966998       0.93167596      -0.10176555      -0.02052779      -2.14606643
K        5.44284995       0.57472100       1.96884004       0.73123336       0.75906591      -0.70891179
K        7.17602006       8.04595003       2.15796006      -0.14818175      -1.39552795       0.06715810
K        0.46912997      11.36060002      10.37009995      -1.22507995       1.05409601      -0.01825945
K       10.46049997       6.70231995       8.12716999       0.21474186      -0.06565326      -0.15161408
K        2.96069002       9.03391996       1.81014996       0.26354831       0.31495208      -0.37455679
K       11.39050000       4.21451997       3.64601996       0.71965963      -0.44704580       0.24046587
K        3.28087997       5.99697996       6.18892000      -0.81481849      -1.02376112      -0.62881964
K        9.68220996       0.55286795       7.01991004      -1.09159430      -0.50221823      -1.14909936
K        4.30307004       1.41221002       5.51704003      -0.49154652       0.81434967      -0.65092675
K        1.51274005       9.07672004       7.96280006      -0.23368068       0.03637992      -0.45176997
Li       4.82388005       4.80869999      11.19380002      -0.51471950      -0.43453082       0.10008726
Li       2.87916005       2.06538005      10.80310000       0.29511696      -0.12161025      -0.91507110
Li       5.67210002       8.35363995       6.42869005       0.37184980      -0.29991107      -0.67488581
Li       0.53343801       3.45729002       8.69693996       1.85253251       1.28949005      -0.72623848
Li       4.42563998       5.63091005       2.65287000       0.40915929      -1.09358972       1.21351747
Li       0.92002497       6.43606996      11.77279999       0.24367693      -1.14317875      -0.30454611
Li      10.46859999       8.00172998       4.31103996      -0.09746930       0.92229189      -0.30240660
Li       7.74822999       3.68551999       3.51269999      -1.36690275      -1.25440190       0.67394058
Li       7.83601003      11.04949995       9.99051001      -2.95374470       0.98278865       1.09036130
Li       4.99409996      10.59640001       8.42321998      -0.72770927       0.48152067       0.38163071
Li       9.17727998       0.15626402       2.46421000       4.64700671      -4.27015458      -3.76559985
Li      10.30450005       9.50765998       0.54724202       1.68726084      -0.25435595      -0.10657795
Li       7.39208003       7.70185998       9.05183997      -0.66629940       0.08231858      -0.13005814
Li       1.60472004      10.65719994       4.18565000      -2.06150604      -0.31575746       0.84185648
Li       7.73256001       4.13494004      10.64130002      -0.21282898      -3.82171165       3.39993666
Li      10.49900002       3.15485997       0.44875505      -6.29383403      -4.57875469       0.22406794
Li       7.44728995      10.42960001       5.12884001       0.34981254       0.18026840       0.01476701
Li       5.88599002       1.99282999       7.62440999      -1.10039391      -0.13459992       1.78335552
Li       6.66395000       4.72169999       7.12156003      -0.12337188       0.34855948       0.29626339
Li       3.70908995       7.86975002       9.86796998      -0.16787856       0.27014190       0.79418908
60
Lattice="11.77414789 0.0 0.0 0.0 11.77414789 0.0 0.0 0.0 11.77414789" Properties=species:S:1:pos:R:3:forces:R:3 energy=-469.68685775 stress="-0.028076402723651576 0.002491060441268424 -0.003372152988540226 0.002491060441268424 -0.0229324579905891 0.004149659790117442 -0.003372152988540226 0.004149659790117442 -0.01748701887561584" free_energy=-469.68685775 pbc="T T T" config_type=melt 
Cl       2.65264005       2.20102000      11.19619995      -1.43676621       0.24900231      -0.08165519
Cl       5.56079994       8.63558005       3.72061001       0.54807977      -1.45209805      -0.28014203
Cl       3.57345000      11.16120000       2.82429994       0.10595331      -0.53447595      -0.15453218
Cl       8.15252997       2.68392996       7.09279002      -0.23953469      -0.28304996       0.49939128
Cl       4.82388005       4.56820996       7.11352994       0.40199228      -0.20779229      -0.99163779
Cl       7.75585999       6.44075996       5.98851000      -0.60129881      -0.45463849       0.87940608
Cl       7.84450001       4.95733001       2.23773003       1.55552719       0.49777689       0.76465911
Cl       8.61654996       9.84654998       0.78025300       0.79420569       0.39344431      -0.47855160
Cl      10.03429995       4.69578003      10.03040000      -0.66835142       0.97164506      -2.06586676
Cl       8.32583000      11.52430000       8.81017005      -0.44877504       0.45328993       0.29268593
Cl       2.28242999       6.40198004       1.05104003       0.18739665      -1.20564231       1.93501143
Cl       9.59506996       2.64929996       0.89542995       1.28923217      -2.79664877       1.38030494
Cl       3.57341998       8.88950002      10.52329998       2.08556040       2.91116648      -1.44055984
Cl       9.09696004       0.43591699       3.64537003      -0.71274653      -0.87523528      -0.50438166
Cl       6.15897999       1.03501000       0.70093598       0.61638899       1.64988328       0.11729771
Cl       5.41075998       6.02366996       9.64065004      -0.02968435       1.58163234      -0.31457050
Cl       9.01307995       8.44935000       8.58285000      -0.39836154      -0.76351128      -0.05604939
Cl       2.82461996       6.82841000       5.63154997       0.58221407      -0.41772354       1.34349267
Cl       1.37651999       3.27380994       2.85404003      -0.69567742      -1.01433066      -0.33588010
Cl       4.50094001       0.73703905       7.27566997       0.34390654       0.38802423       0.57308335
Cl       1.91281005       6.41892998       9.72648005      -0.31000358      -0.92298161      -1.06294882
Cl       5.24919006       9.40183994       7.14791999      -2.71107745       2.61842058      -0.38656878
Cl      11.76673665       8.97802996       6.47896001       1.88414732      -0.44039033      -0.47254777
Cl      11.74737984       2.44431004       6.91860999       0.38091541       0.21446089       2.05431360
Cl       7.18062999       3.90788996      10.45769996      -2.94985953      -2.12088326      -3.07548356
Cl      11.40480005      10.85240001       9.32461001       0.18567652       0.56063449       0.47647219
Cl      11.75070415       9.24431998       1.41806000       0.62991208      -0.12893580       0.16625406
Cl      10.54119998       4.52091003       4.75470999       0.07366128       1.14639339       0.04859122
Cl       9.29895002       7.80471999       3.70272002      -0.11607440      -0.66567582       1.82971503
Cl       5.00379998       4.15414002       3.60228995      -0.50970162       0.38872587      -0.11091151
K        5.87919998       5.39166996       0.60113901      -2.27480938       0.93848234      -0.15105946
K       11.70536815       3.99661005      11.77151578       2.72615708       0.34865648       1.00580110
K        0.42191799       6.14477001       7.52464999      -1.22095200      -0.18826553      -0.69239537
K        2.88481000       3.30550995       8.45603995      -0.85421648      -0.38925191       0.30458567
K        3.03046998       1.03302005       4.82203998      -0.46572997       1.29410720       0.49068222
K        0.39417504       0.33050904       0.96822998       0.30238689      -0.04634455      -0.20480950
K        7.48703005       2.84341998       4.26256003      -0.11465190      -0.04000041       0.03984949
K       11.15390003       1.96753005       4.44998998       0.39914903      -0.96990645      -1.25662135
K        6.03169003      10.26419996       0.93482095      -2.05407691      -1.97906223       0.36605569
K        1.28441000       7.55246005       3.71364996      -1.12121053       1.05138901      -1.55775771
Li       7.96460998       5.49454999       9.25732994      -0.06709633       0.88473829      -0.46280388
Li       8.25532005       3.77821997       0.12269098       1.44091300       0.99061727       2.43209452
Li       3.35892997       6.92200000       7.97407003       0.98587820      -0.29691523       0.58956785
Li       4.59036997       1.78304999      11.29069996       0.80029184      -0.19920057       0.14323145
Li       2.86916003       4.53096998       3.35243994       0.64122167       0.74359179      -0.22539190
Li       1.35669997       9.68432000       8.63618995       0.07923632      -0.11252133       0.10446197
Li       9.75513997       4.03254004       6.68311996       0.12531305       0.11486201       0.51107449
Li       9.37082001       9.89584999      10.33250003       0.26010263      -0.02015349      -0.27782764
Li       6.20694999       2.81018003       8.61892999       0.17596600       0.33915956      -0.89751792
Li       4.75414000      10.25449995       4.85429997      -0.07317032       0.05876714       0.05012592
Li       6.35023996      10.69190001       8.44270997      -0.19875101       0.45078235       0.08761041
Li       7.50175998       6.70062000       3.87195997      -0.75240021       0.02395576      -0.35100830
Li       9.83696005       1.33218997       8.32806003       0.26609063       0.17602140      -0.15391380
Li       9.88296000       9.12073004       2.51618003       0.80982559       2.48637360      -2.14522387
Li       9.91575995       9.69483997       6.80233003      -1.35245119       0.20707688       0.79038228
Li      10.08329995       5.94656000       3.29451996      -0.29568975      -0.66478908      -0.83214271
Li       2.29267997       7.76740995      11.30220001      -1.75976429      -0.69360577       1.11072528
Li       6.25563998       7.89060004       7.09401995       2.87725767      -3.90553749       0.10713453
Li       8.33820004       0.70642403       1.29854004       0.32948699      -0.17894095       0.27384863
Li       4.75451995       6.24690003       4.70493996       0.54883656      -0.16457270       0.25285082
60
Lattice="11.77414789 0.0 0.0 0.0 11.77414789 0.0 0.0 0.0 11.77414789" Properties=species:S:1:pos:R:3:forces:R:3 energy=-472.61935224 stress="-0.015495630829766755 -0.0010061863149613624 -0.00031895751901861734 -0.0010061863149613624 -0.019279742282455856 0.004098231096844626 -0.00031895751901861734 0.004098231096844626 -0.014564444691714728" free_energy=-472.61935224 pbc="T T T" config_type=melt 
Cl       0.81418103       0.12163696       7.01410998      -0.65047273      -0.29145702       0.35388379
Cl       7.73539004       6.23904997       9.30339005       0.62607157       0.00392511      -0.01002963
Cl       2.66239999      10.60749997      11.33800001      -0.39557321      -0.51354504       0.26975186
Cl       3.03709000      10.75590004       4.26023004      -0.03918338      -0.28361933       0.45654692
Cl       1.44146995       4.08422996       9.05590005       0.13846734      -1.22956586       0.16910104
Cl      10.30759994      10.04290003      10.00460002       0.06764581      -0.29576036       0.81462679
Cl       8.12843995       6.80230001       5.95545996      -0.68201760       0.74664356       0.54234631
Cl       4.79912996       4.48818002      10.16570003      -0.57332546      -0.54317669      -0.31722408
Cl       2.33628000       5.92859995       6.02490000      -0.59620280      -0.49468709       0.17610580
Cl       7.95153997       7.56834997       2.58862000       0.70667307      -0.34374495      -1.21309972
Cl       7.91780998      11.46789995       9.00725999      -0.49680902       1.36680984      -0.85985547
Cl      10.73599996       4.47269996       3.91384003       0.50299655       0.26084840      -0.46030229
Cl       6.13603995       4.52345996       3.07169999      -0.98628284      -1.15463174       3.32560935
Cl       7.41875000      10.58410003       3.94072005       0.00092044       0.53835770       0.22142074
Cl       4.30194997       7.25102997       3.92404998       0.91467942       0.22160215      -0.90206256
Cl       3.40698003       0.46792501       8.69895004       0.66676885       0.33334310       0.07132952
Cl       7.18891004       1.10254004       0.58933896       0.23806042      -0.10987616       0.18895813
Cl       8.72457000       3.56107996       6.24330997      -1.40155950      -0.46792313      -0.41911010
Cl       0.70273802       7.60692997       9.48208005       0.96488701      -0.03593913       0.30886630
Cl      11.02770000       5.19787997       0.16906699      -0.15424972       0.00450391       0.59723004
Cl       5.40631005       7.79653001      11.03240000      -0.47006880       1.07847155      -0.02031718
Cl       4.22792001       7.72710999       7.97874001      -0.62710596      -0.27310249      -0.23273715
Cl       2.13537995       4.59604004       2.60106999       0.94805352      -2.91564374      -0.17902795
Cl       3.45909006       2.31610005       6.02247005       2.67927173       6.74065416      -0.86340414
Cl       9.92399997       3.28877995       9.04035994      -0.17479779      -0.28700774      -0.01493052
Cl      11.73116048       1.13496004       3.52916001       0.01993514       0.08393312      -0.23616821
Cl       4.81114996       1.52764000       3.10871002       0.03132914      -0.05965972      -0.10192202
Cl      11.48699997       1.30769997      10.83779995       0.27443097      -0.08575559       2.70314148
Cl      10.68720000       9.45611994       5.51663994       0.07221165      -0.05194449      -0.01224095
Cl      11.35469999       9.76869001       1.94294999       0.25045514      -1.12180991       0.22587426
K        2.36365995       1.26799001       1.40116999      -0.09407535      -0.04442165       0.31413102
K        8.40288003       4.23848001       2.06580003       2.05173832      -0.54625254      -1.00663187
K        5.80839002       5.67981998       0.94626295      -0.71034389       1.05485013      -1.82296360
K       10.38039997       6.83988003       7.74406005       0.27283124       0.24885163      -0.40171593
K        6.42441003       9.29761000       8.54856003       0.21294278      -0.30141044       0.10860391
K        5.19434996      10.22429997       1.24618994      -0.20441176      -0.10665318       0.27554496
K        1.72307001       7.03082998       2.79334995      -0.68388820       2.82128898       0.41433505
K        9.51770003       7.31133998      11.46149999      -0.43872819       1.54523161      -0.02797503
K        6.52992005       0.90902603       6.43307003      -0.47704666       0.17736268       0.05248683
K       10.07359994       1.26272002       6.40214994       0.30252025      -0.93752604      -0.35262220
Li       9.03083996       5.19194003       4.98866996      -0.10106606       0.26928443      -0.51428501
Li       2.75991996       0.75098306       6.13763994      -2.29357076      -6.17872676       0.56866917
Li       0.03415209       1.05670999       8.92388996       0.31861892       0.47665927      -1.70103400
Li       2.97106999       7.89591995       9.98490999      -0.00636551       0.65189455       0.31146143
Li       8.39419000      11.47125994      11.16229994       0.44487554       0.09078650      -0.53644341
Li       4.09411000       8.27354996       5.73413000      -0.66054282       0.13232267       0.08623982
Li       1.84704001       3.80642000       5.32409000      -0.35364908       0.24964267      -0.02007228
Li       0.02430997       4.49243001       1.90919998       0.38945082      -0.75660623       1.20901615
Li       2.67489001       5.54820997       8.30120002       0.47589816       0.79631660      -0.75619582
Li       5.55052994       6.35376997       9.19464002      -0.03274927      -0.18564956       0.26452929
Li       3.18365000       2.51971004       9.76066004       0.23574923       0.11867435      -0.56198374
Li      11.28110003      11.44309994       0.76450802       0.12437035       0.76935463      -0.76563029
Li       0.66035497      10.43979996       9.47769995       0.65726763      -0.57240174       0.20076629
Li       4.20142006       3.78643998       3.94829001       0.15891808      -0.22101077      -0.10741796
Li       9.90653997       9.27263998       3.47430002      -0.47103748      -0.00007108       0.03393278
Li       7.61045997       8.34982995       4.52928003      -0.41750396       0.19487575       0.19411089
Li      11.39930000       4.34655998      10.13039996       0.23781377      -0.49789728      -0.49443854
Li       6.85328996       0.78308904       2.77854996      -0.01930136      -0.08520151      -0.01231700
Li       8.22533000       4.30988998       8.19628000      -0.38909161       0.20786087       0.32829622
Li       0.79537301      10.96950003       4.45672997      -0.38483210      -0.19167099       0.13724249
60
Lattice="11.77414789 0.0 0.0 0.0 11.77414789 0.0 0.0 0.0 11.77414789" Properties=species:S:1:pos:R:3:forces:R:3 energy=-472.50637103 stress="-0.011380923553169353 -0.0004984599260980554 -0.0014632056163879333 -0.0004984599260980554 -0.011343850911346416 0.002453492429590694 -0.0014632056163879333 0.002453492429590694 -0.013576986686485546" free_energy=-472.50637103 pbc="T T T" config_type=melt 
Cl       9.30442005       2.49421995      10.52339994      -1.21841989      -0.06197788       0.36483479
Cl       9.17511000       5.32846999       0.72299803      -0.05086317       0.37245032      -0.98022194
Cl       5.44707004      11.17919996       1.29472004      -0.29590683      -0.33558247       0.10042365
Cl       3.16451995       3.90375005       8.16454996       1.87517829       1.78083324      -4.53064566
Cl       3.67956003       4.53097999       4.69335997      -0.44299563      -1.22356568       1.73250312
Cl       2.45933998       0.45296995       9.66153997      -0.42457464       0.44519613       0.81076449
Cl       4.09881001       8.25856995       0.22015208      -0.64063830      -0.18947812      -0.39820540
Cl       6.31891001       5.01197995       6.88485998       0.52053011       0.90730096      -0.52867061
Cl       3.71691999       7.42541005       7.27680005       0.03042275       0.36686209      -0.03210900
Cl       1.03389005       7.48556005       4.22932997      -0.00368536       0.48239761       0.22944778
Cl       5.17007002       2.59784999       0.25162202       0.15192675       0.28987081      -0.36541348
Cl       1.71442002       2.02600000       3.07437001      -0.36396757      -0.36151294       0.41293443
Cl       5.13070998       1.49979002       6.66953001       0.32001035      -0.88418118       0.64323966
Cl       6.20112002      10.03670000       4.97474997       2.79648401      -0.81799295      -0.68090495
Cl       8.46264996       8.12080994       1.93589998       0.90269550       0.81255156      -0.06220612
Cl       2.23383996       5.18156995       1.75288003       0.11681619       0.13831956      -0.39292270
Cl       8.44637997       0.35140404       1.96005994      -0.15664605       0.18514832       0.37085894
Cl       7.92165000       5.60521003       9.63270002       0.50710400       1.64452096      -1.28928701
Cl       5.42437996       7.03967001       2.85747996       0.01386828      -1.74506322       1.67524666
Cl       9.67371997       4.13877994       3.57123999       0.54071840      -0.47150569       0.70065813
Cl       7.03021996      10.15399994       9.27752001       0.17279805      -0.46479396      -0.09289187
Cl       9.86269999       7.27867002       6.57263995       0.15593551       0.12607184       0.18894554
Cl      11.07250004      10.98460002       9.09241004      -0.13699690      -0.10808721      -0.54269582
Cl       2.23043994      10.79589999       5.65335004       0.00159344      -0.08276103      -0.15831022
Cl       9.62256000      10.47610001       4.77294002       0.86129322       0.30711140       0.75206422
Cl       9.86214001       3.32530995       7.02939000       1.24964635       0.56206688       0.77809010
Cl       6.39217994       3.25958995       3.41141005       0.49653619       0.50432518      -0.23725260
Cl       0.36484905       4.08156994      10.08389996      -0.26743896      -0.47037264       0.44923851
Cl      11.43229999      11.58830003       1.16817997       0.41252060      -0.40092273      -0.41976500
Cl      10.92550004       7.99836999      10.44729997       0.27043016      -0.32080333      -0.11550135
K       11.08010002       3.28138002       1.14120999       0.75513028      -0.67445317      -0.09949458
K        7.97840999       6.35968000       4.50786003      -0.04046657      -0.29072161      -0.03193931
K       11.75959999       7.42256000       1.38045997      -0.02587979      -0.12818437       0.46421938
K        1.97380002       1.60116001       7.02334998      -0.24060152      -0.49731173      -0.35664807
K        8.27446999       2.00238000       5.43882001      -0.95417260      -0.65606485      -0.65515655
K        1.34002001       6.20249995       8.74861999       0.22382568       1.29330452      -0.70427513
K        4.96676004       0.93354004       4.04651995      -0.65840615      -0.12721345      -1.19246505
K        5.56486002       7.06769001       9.70566005      -0.18183783       0.22313419      -0.24170212
K        4.10558002      10.07229996       9.78491997       0.89398228      -0.11852454      -0.42661770
K        0.90607202       4.61912997       4.60315999      -0.81390733      -0.10217016      -0.17129750
Li      11.36030001       9.13820005       5.61021004       0.39547455      -0.43115857      -0.21953485
Li       4.85239998       3.55383003       6.83263998      -0.39566192       0.19866773      -0.45524200
Li       4.37784000      10.26560003       5.40014005      -3.26778949      -0.05605106       1.21005533
Li       7.22421000       0.75931503       0.04495205      -0.38321188       0.15029162       0.16850721
Li       4.00645995       6.46965996       5.10093999       0.16242574       1.56186855       0.60693056
Li       2.52738996       3.52974001       9.73914997      -1.93427234      -1.80843971       5.53068719
Li       3.60508996       6.96606004       1.96710995      -1.40040036       0.04774684      -0.77138781
Li       7.62449005       4.17927995      10.92689999       0.08185594      -1.79618033       1.50110596
Li       8.21463000       4.55843000       7.76640998       0.28375697      -0.20899887      -0.21937475
Li       8.00209003       4.24085003       2.07419005      -0.36777337      -0.62209176       0.64917805
Li       3.70315001       0.75987101       0.79654595       0.00208162       0.37065805      -0.19872783
Li      10.87650004       1.15782002       9.96485002       0.30771861      -0.05261939       0.09332208
Li       6.57791995       8.63104005       2.59019997      -0.44944917       1.61239616      -0.51506442
Li      11.19025789       0.84187901       3.76306994       0.48801433      -0.53192857      -0.93386478
Li       7.84898996      10.62090001       3.62189002       0.28772390       0.38770670      -0.92816692
Li       8.29996997       8.81395003       6.83675999      -0.06913696       0.76100590       0.54063408
Li       0.95509698      10.20460005      10.36360003      -0.66018767       0.51753435       0.11675634
Li       4.43558996       4.24289002       2.86435995       0.21968624      -0.24346044      -1.74398159
Li      10.18020001       5.54321996       9.82068995       0.09931909       0.09280461       0.59999052
Li       9.23165005       9.71197995       0.23086702       0.24778486       0.14202754       0.00130797
60
Lattice="11.77414789 0.0 0.0 0.0 11.77414789 0.0 0.0 0.0 11.77414789" Properties=species:S:1:pos:R:3:forces:R:3 energy=-469.75964201 stress="-0.018537777036822432 0.0041272113973915255 -0.0022926253774480246 0.0041272113973915255 -0.025107389090420065 0.0064801014976837695 -0.0022926253774480246 0.0064801014976837695 -0.01387960467111068" free_energy=-469.75964201 pbc="T T T" config_type=melt 
Cl       9.30794005       8.28467994       1.83591003       0.20326398      -0.50373795       0.73769983
Cl       2.56569997       7.25086996       5.53842000       0.70597916      -1.37083083      -1.93862950
Cl       5.00211003       8.55179003       2.91131996      -1.72632145      -1.98179034      -1.10642671
Cl      11.24060002       4.17118004       3.94747005       0.94899210       0.96779841       2.66361390
Cl       0.50700905      10.19009995       7.39880000      -0.11929110       0.59102745       0.76809050
Cl       9.58886004       5.43666004      10.04489998       1.50259495       1.67301294       0.42398614
Cl       2.68373004       5.57080997       9.05091994       0.72350214       0.84901507       0.44719734
Cl       3.53432003       8.96033000       8.26866004      -0.13659022       0.92446313       0.42990212
Cl       8.80412003       2.56347996       8.05604000       0.26093523       1.04453551      -1.03707711
Cl       0.18507701       1.50722998       5.72858002      -0.24570534       0.68871172      -0.54095594
Cl      11.65148494       7.94509998      10.56090001      -0.36374760       0.05383083       0.19327599
Cl       3.24428003       2.61561000       3.10108002      -0.34366610      -1.75253558      -0.10782168
Cl       3.08060995      11.20679998       0.31150804      -0.63167477       0.47128849      -0.11273717
Cl       6.75062998       2.92476003      11.13419999      -0.75416188       0.13155059      -0.76275750
Cl       8.72623004       2.65485995       2.54922005       0.71021439       1.95461880      -2.75544990
Cl       2.19357002       6.88156004       1.52516001      -0.00458832      -0.44371128       0.73150277
Cl       9.62538003       0.66912800      10.73650001       1.13706161      -0.34585207       1.31364528
Cl       7.23807994      11.20089995       1.20194999       0.02176224       0.17797913       0.23781902
Cl       5.80285005       4.30797998       3.69616005       0.20606945       0.75058989       0.71380784
Cl      10.17159994      11.17349998       3.82861003       0.18175856       0.90222051      -0.65120673
Cl      10.30420004       8.17974003       5.65023001      -0.64589835       2.52602274      -1.61752368
Cl       0.69229399       2.92367999       0.57612895       0.19439561       0.20251810       0.39442044
Cl       6.33035001       5.37239003       7.97868997      -0.47510680      -0.05264363      -0.34737226
Cl       2.31097994      10.97789995       4.74282999       4.65072243      -4.12920320       1.42545780
Cl       1.62598004       3.08649997       7.88780003      -0.74597448      -1.67030677       2.06960755
Cl       6.18840995      11.20220005       4.75729995      -0.86934439       0.29526392      -0.03671690
Cl       6.47385003       6.15293997       0.36004002       0.57488221      -0.13035632      -0.10839048
Cl       3.92607996       1.89435996       6.54005005       0.93396366      -0.51964379      -0.07903472
Cl       6.27019000       8.60911000       6.37647994      -0.07582102      -1.63577449      -0.24305890
Cl       7.25969999      10.70970005       8.65151000      -0.10956801       1.42385041       0.23163048
K        5.39590995      10.31360005      10.83390000      -0.03619929      -0.47601194       0.10658906
K       11.15510005       6.00636996       2.28029004       0.14370727       1.22606385      -1.82394970
K        8.63223996       8.49252003       8.08521999       0.30429710      -0.78982359       0.16037307
K        9.97810995       0.04619658       6.96379999      -0.71949480      -0.43877436       0.24260691
K        3.72267002       2.79548001      11.22979995      -0.66563964      -0.28128530       0.32158299
K        0.24439505      10.87930005      10.57370004       0.89696777      -0.13306301       0.04619087
K       10.73990003       6.03952997       6.60691002       0.71437456      -3.52772040       1.52819970
K        8.08305002       1.37226999       4.47504996      -1.14144458      -1.02453908       2.76392908
K        2.28751995       4.51870002       5.96321995       0.17968967       0.28952007      -2.05786158
K       11.41620002       3.31534996       9.75720998      -0.41776073      -0.33077640       0.28247498
Li       4.62450004       7.09901995       8.08003996       0.27571277      -0.29713863       0.00948566
Li       1.84629000       8.62957005       6.67234002      -0.53563057       1.70598033       1.56761922
Li       6.38502998       3.95352997       1.54813997       0.30373729       0.89435548       0.05488045
Li       4.72414995      10.39989996       6.78963997       0.71394300      -0.19328762      -0.30262837
Li       2.81612998       4.50425997       2.84253998      -0.27281232       2.02364015      -0.80311131
Li       1.07811999       0.31589097       4.23324004      -4.09280655       3.31286146      -2.10629329
Li       3.11794001       8.63099001       3.50545995      -1.35893421      -0.02585551       0.33733408
Li       7.93022005       4.49573996       9.72476997      -2.31885955      -1.05321929      -0.57556562
Li      10.65260002       9.17810005       3.71258004      -0.06071775      -0.72990321       0.01144561
Li       6.61710997       9.35917997       3.19447998       2.98874694       2.20334729       0.65594709
Li       3.91988005       0.97853295       4.37149998       0.69665313      -0.43643405       0.23078539
Li       9.22779001      10.29279996       1.27284002      -0.16579129       1.25984171      -0.11814459
Li       1.79535998       6.85426003      11.11769994       0.06878632       0.04786794      -0.46384566
Li      10.83359999       2.36594002       3.34887002      -0.05636520      -1.76365760      -0.80097833
Li       9.14118998       7.06564001       0.00825215      -0.45147395      -0.47829533      -0.71769025
Li       1.90651995       0.60810601       7.03100000      -0.15998893       0.19257487      -0.17019793
Li       8.16674996       1.33467996       9.54877001      -1.71527475      -0.56170777      -0.21774464
Li       8.06065994       1.97824994       0.61268203       1.03662173      -1.53715878       0.29941532
Li       3.95043996       3.89406005       7.96470005       0.26580519      -0.24006813       0.29990221
Li       6.21768001       6.26624001       5.42851998      -0.12848656       0.07075551      -0.09724822
60
Lattice="11.77414789 0.0 0.0 0.0 11.77414789 0.0 0.0 0.0 11.77414789" Properties=species:S:1:pos:R:3:forces:R:3 energy=-470.63993501 stress="-0.014001993880548827 -0.0001814301783125857 -0.002695675104685687 -0.0001814301783125857 -0.028206721739226618 3.533291477673271e-05 -0.002695675104685687 3.533291477673271e-05 -0.024082545693828665" free_energy=-470.63993501 pbc="T T T" config_type=melt 
Cl      10.30249997       9.36090994       6.47162000      -1.27194924      -0.25584858       1.12070546
Cl       8.30040997       5.32632003       5.11773005       0.31275006       1.24222591       0.21371478
Cl       7.33757997      11.49750004       8.46989000       0.15811863      -0.14269598      -0.22030544
Cl       2.74246997       7.18016997       7.67002998      -0.26632442      -0.41523535       0.53888816
Cl      10.67819996       0.88560702       0.81642601      -0.62943928       0.91101066       2.62014387
Cl       4.03781003      11.66359994       7.75497999      -0.57602002       0.33999302      -0.33063143
Cl      11.70040004       2.20602001      10.41399997       0.14337024       4.75984602      -1.09210014
Cl       3.94388000       3.95574999       1.80662996      -0.83915005       1.11923404      -0.71596429
Cl      10.62650003       7.12413998       3.17402004      -0.88383075       0.29608503       1.23783323
Cl       7.74862995       2.92056997      10.54379995       3.58188448      -0.86394468       0.32067087
Cl       8.40544997       3.18886995       1.95039996      -0.30830839      -0.11754388      -1.66952511
Cl       2.52077995       8.38231000       3.78551006      -0.49249337      -1.59002436       0.96870762
Cl       5.10829001       3.02101004       9.66488995      -0.66731959      -0.03816854      -0.13992764
Cl       2.68089000       1.24127000       3.46837998      -0.49711811      -0.14789970      -0.18157350
Cl       7.14060000       6.20288002       0.15367594       0.55139204       0.87318067       0.16772988
Cl      11.55169997      11.47060000       9.63069994      -0.14147082      -3.18713846      -2.06555429
Cl       9.83821000       2.56574001       7.31572998      -0.92080238      -1.86401011      -0.80275244
Cl       6.61742999       7.89474995       2.77954005       0.44001480       0.32222607      -1.33847651
Cl       0.04927293       6.13292004      11.72419995       0.09667506      -0.49264197      -0.99753750
Cl      11.26769999       3.85465998       3.17273995      -0.28404854       0.27734786      -0.26798299
Cl       5.66943000      10.03570002      11.29240003       0.21712318      -1.00604925       1.05551150
Cl      11.10050003      11.04949995       3.84385002       0.49079665       0.10892022      -0.24203233
Cl      11.06929995       6.26782999       7.82433996       0.15341390      -0.24340458       0.31961735
Cl       6.08069003       3.00717000       4.61919002      -0.37149168      -0.48310906       0.31484862
Cl       2.44390996       4.55278006      10.14060002       0.16475601      -0.55102223       0.08591420
Cl       7.08468999       7.05645005       7.37638002      -1.02769998       0.80320046       0.81879823
Cl       3.07314997       0.61807801      10.82709996       0.52806438      -1.14784176       2.88093442
Cl       9.69616997       8.85221000       0.24848998       0.27333370       0.38645461       1.18124919
Cl       2.52471005       3.73632002       6.21550002      -0.12655703       0.02920917       0.12496338
Cl       7.74570996      10.94989996       2.62978996      -0.04325804       0.88815651       0.37610935
K        3.11647001      10.44229996       2.40897005       0.43206214       1.13520777      -1.39764849
K        5.67217997       2.01309000       1.71293000       0.90695917      -1.28885527       0.27710298
K        8.79426000       9.05694995       9.48638998      -0.38459966       0.25368700      -0.42637590
K        4.84177004       6.24432997      10.27739996      -0.60454634       0.49986806      -0.26891944
K        5.27372997       4.58909000       7.24964004      -0.10290441      -0.05060407      -0.53254256
K        4.92461000       6.20883998       3.66157997      -1.33431304      -1.79221589       0.48437701
K        3.88718995       9.23222004       6.31057003       0.20788088       0.28134092      -0.14349001
K        7.31913000       9.06426005       4.97109999       0.79752963       0.71722343       1.28080349
K        9.15079003       0.87483402       5.38265002      -0.70107613      -0.69761826      -0.46840482
K        0.64359800       5.75464999       4.99709001       0.50295664      -0.09378604       0.41571567
Li       0.35727604       2.08842994       3.73011999       0.94847825      -1.13199089       0.05315981
Li       4.89758998      11.12210005       9.79157001      -0.31392407       1.01635435      -1.26305850
Li       6.77918005       4.29914996      11.36109995      -1.60692511       0.82273038       1.15496784
Li       3.12968001       2.85554994      11.50880004       0.20773387       0.57077269       0.26199809
Li       2.35073995       1.53933997       9.29865002      -0.96306718       1.12756538      -2.42168299
Li       8.62013001       3.72276998       3.87394003       0.20858756      -0.23991214       0.78715645
Li       0.37967800       0.54799698      11.44950002       2.50747311      -1.24529739      -0.78360632
Li       9.37049999       1.97736005      11.51439994      -0.30873375       0.29068152      -0.38792882
Li       9.95642998      11.20000005       1.79397004      -1.26060295      -2.61963088       1.45711462
Li      10.46269997       4.10584000       8.14601004       1.03046913       2.12565039       1.38578263
Li      11.18163391       4.04984003       0.14381403       0.35486235      -0.27763750       0.33555902
Li       8.41269001       6.28149000       2.27873997       0.03667997       0.09098309      -0.04914091
Li       1.01826999       5.85641995       9.32423995      -0.05167461       0.68175454      -0.09354591
Li       6.97337002       9.49276003       1.17350000       0.60612215      -0.37701142      -0.09373563
Li       9.16621004       6.98627001       7.06525005       0.23175482      -0.32609399      -0.80284011
Li       3.61458004       2.14357005       5.19094994       0.63686033       0.20978812       0.14113612
Li       7.17449001       1.85173001       9.03385002      -0.83479058      -1.19362905      -1.81112546
Li      11.62890000       7.51632001       1.45302004      -0.01338617       1.02812154      -0.66726560
Li       0.01901984       9.91406000       7.89439002       0.51936227       0.55615970       0.89750405
Li      11.05970001       8.83185003       4.65924002       0.58036029       0.11588215      -1.60304282
60
Lattice="11.77414789 0.0 0.0 0.0 11.77414789 0.0 0.0 0.0 11.77414789" Properties=species:S:1:pos:R:3:forces:R:3 energy=-466.18219636 stress="-0.022838831552621792 0.002600607683264979 0.008291281927061809 0.002600607683264979 -0.028142708203722156 0.0023915972123514837 0.008291281927061809 0.0023915972123514837 -0.021274353768176022" free_energy=-466.18219636 pbc="T T T" config_type=melt 
Cl       4.14833996      11.12940003       0.26985099      -0.06472661      -1.42391973       1.46786439
Cl       1.05723006       1.62091998       2.19415002      -3.67591311      -0.28989831      -0.12799222
Cl       9.31824997      11.66849999       3.26566000       0.49860782       0.57689380      -1.62285074
Cl       4.98305004       1.07521000       4.48090995      -1.01501389      -2.00165020      -0.45032983
Cl      10.75240005       9.39282000       8.31939001      -1.13996709      -0.03047601      -0.60943639
Cl       1.55236006       6.41033003       9.63227002      -2.93635522       1.29576903       4.03087114
Cl       8.36069997       5.32189000      10.16160004      -0.55356661      -0.27304287      -0.21328856
Cl       7.81382000      11.12350000      11.02689995      -0.00454595       0.29489376       0.01119406
Cl       0.06500860       7.61389002       5.53662997       0.47475252       1.17560125       0.44415464
Cl       4.63286004       7.13865998      11.39360001      -0.13168549      -0.51543837       1.55008981
Cl       9.44272002       8.38433998       0.48010101       1.12772527      -1.36632495       1.76592925
Cl      10.52519997       2.55213003      11.03860003      -1.35892594       3.97526407       3.09410682
Cl      11.13079997       1.51627006       7.77245000      -0.61977557      -0.35998023       0.42488787
Cl       6.89888005       2.94615001       0.28976001      -0.42760375      -0.46933385      -0.12820071
Cl       7.59252995       2.18229004       6.82468996      -2.37139126      -1.83930787      -0.83064339
Cl       8.76962001       5.09766996       6.43746002       3.40983252       0.83014086      -1.06041458
Cl       5.23492002       0.27955100       8.37755996      -3.02960192       2.78433092       2.47205211
Cl       6.40609004       9.64804997       4.05139999      -0.40430794      -1.10037982       0.32217792
Cl       3.97353001       4.33490004       8.73400003       0.75838972      -0.26659411       0.36440270
Cl       0.71935699      11.16330003       5.36487000      -0.03769061       2.36049504      -0.82357082
Cl       3.20150997       8.00185997       3.20131004      -1.76237711       0.11082490      -0.35707761
Cl       8.00022995       5.20948998       3.28757004       0.51282677      -2.27060606      -1.64801480
Cl       2.97555995       8.73804998       7.08712995      -0.35639511       0.27696523      -0.02471610
Cl       3.75761004       3.76455996       2.97925997       0.21907816       0.08476859       0.12054167
Cl      11.03719997       4.83403996       2.93320999       0.63944547      -0.08712867      -1.85966268
Cl       2.79964005       1.71948996      10.79520002       0.08802102       1.89166954      -0.99693024
Cl      11.13280005      11.23110005      11.49429994       0.62281887       0.37543605       2.62718264
Cl       5.89458997       5.45614001       6.30355005      -1.90127652       0.13938707      -1.20355625
Cl       0.86930500       4.18525003       6.28717998       0.77679129       0.55647382       0.60453092
Cl       6.60053998       7.99266000       8.33323005       0.85549696      -0.19843825       0.06952965
K        6.76356000      11.64249997       2.30467995      -0.50399367       0.97461155      -0.69013531
K       10.50150003       6.63145995       8.79520005       0.11351565      -0.80367139      -0.39496173
K        2.19949996       1.29489994       7.58783995       0.50353253       0.57672638      -0.46075643
K        1.23453000       8.15674994       0.88443302      -0.13063037      -0.32605303      -0.20067677
K        7.25489001       7.45681005       2.28213999      -0.54850666       1.24640984      -1.49133358
K        2.02085999       3.86909002       0.75150595      -0.37639520       0.89103527      -0.39789134
K        3.16367998       6.23563994       5.08552999      -0.11981901      -1.62552236       1.06204179
K        6.74545996      10.56810002       7.36906004       2.30043452      -1.87736650      -2.15218748
K        9.78311005      11.48079994       5.76162005      -0.68275321      -0.09069017       1.74516736
K       11.19600002       2.68051004       4.55146006      -0.08186388      -0.83671011       0.06723904
Li      10.95000004       1.08189996      10.11719996       0.68157985      -2.27770075      -2.72859786
Li      10.85289994       6.41001001       4.21380999      -0.58718095      -0.25773648       0.21166099
Li       6.19397005       4.63190998      10.45239994      -0.08110728       0.49035459       0.55811559
Li       0.33322098       9.70922998       6.69141002       0.19177601      -1.73725437       0.90946242
Li       4.44647999       9.25787002       2.44152004       1.67741176       1.55629369      -0.72857272
Li       8.88153999       9.25220995      10.62770005      -0.94126638       0.69584340      -1.69518686
Li       7.42096001       6.19361000       4.83505995      -0.73197226       0.53768867       2.52698368
Li       2.60535001       6.05860997       8.22293996       2.27366476      -0.86159823      -3.37694879
Li       2.41704005      11.58029997      10.76419999      -0.14519933      -1.30131215       0.33175047
Li       9.13473998       3.13002005       7.33132001       2.87642023       0.97207661       0.99919529
Li       8.91849999       4.04410001       1.01683001      -0.02302792       0.22395167      -0.30208739
Li       5.84890004       0.24876196      11.11300005       0.24398008       0.55826295      -0.83410203
Li       7.31686995       4.89858996       7.70972004      -1.17245555       0.07042159       1.79908933
Li      11.43630002      10.39419998       9.87281999       0.81051465      -0.96419162      -1.63464078
Li       1.95198005       9.64676000       5.10307005       1.83627432      -1.99407242      -0.50422979
Li       4.88435996       2.44083996       9.22364999      -0.21967784      -0.62589070      -0.06040362
Li       5.92253003       2.75236002       4.86351995       0.66298037       1.93506939       0.48316630
Li       4.99363006       8.07915996       9.65806000      -0.20211275       0.50367153      -0.80430849
Li       2.87459004       1.32341999       2.34320002       3.72943564       0.03205814       0.75464199
Li       9.90580997       0.84649400       1.28246998       0.45377523       0.07890036      -0.40432394
60
Lattice="11.77414789 0.0 0.0 0.0 11.77414789 0.0 0.0 0.0 11.77414789" Properties=species:S:1:pos:R:3:forces:R:3 energy=-473.46101108 stress="-0.023973757800073874 0.006762982731947253 -0.009708925937411857 0.006762982731947253 -0.01149858472582201 0.0021756966833403443 -0.009708925937411857 0.0021756966833403443 -0.017338398956370543" free_energy=-473.46101108 pbc="T T T" config_type=melt 
Cl      10.72920004       4.23069000       9.85808005      -0.19901400       0.27110163      -0.22562442
Cl       4.05558004       3.11788997       4.89199997      -1.08858939      -0.17882564       0.10550284
Cl       0.07042977       9.74640002      11.62459996      -0.04070212      -0.06501222      -0.48656502
Cl       9.58017001       3.03273003       3.79010998       0.11892083       1.30154583      -0.44638688
Cl       1.10128998       0.73173904       9.60682998       2.67324625       1.03199702      -0.50853812
Cl       6.29494997       0.67556399       4.33248999       0.33281294      -0.52186367      -0.26239195
Cl       8.86050995      11.35720000       1.52169005      -0.02242724       0.55824052       0.11375363
Cl       0.00043117       3.92512001       6.64590000      -0.67041367      -0.18489554      -0.32994405
Cl       5.33496001       8.81978000       9.92122999       1.58024616      -1.88862090      -0.41237275
Cl       2.09540000       6.14993003       9.22296002      -0.47987192       0.27245277       1.16800444
Cl       7.94962996       1.68215002       9.42805002       0.58930081      -0.25100228       0.35322759
Cl       8.75810995       9.33376005       8.81646004      -0.56046022       0.15559823       0.12236002
Cl       2.48339998       0.26284502       5.38619004      -0.36767224      -1.00182970       0.20281942
Cl       1.19202003       1.34259996       1.21011996       0.40499977       1.41778757       2.35442837
Cl       1.80992001       9.65798994       2.71877002       0.33316175      -0.36686198       1.39877530
Cl       8.92493997       6.46683004       6.39706998      -0.06989104       0.46523564       0.35884250
Cl       4.33740004      11.43730000      11.73459994       0.59707715       0.17584890      -0.64944238
Cl       5.78766999       4.70592004       9.36940005       0.53008699       0.20214861       0.96780540
Cl      10.25360005      11.72136356       4.86566002       2.90961882      -2.66861773       1.74386456
Cl       7.24029996       3.11560001       6.62355996       4.18509584      -1.75415598       1.47458757
Cl       1.43445998       7.92625004       6.20736998       0.70595472       0.16086145       1.56168885
Cl       7.55779998       3.17842004       1.03760997       0.20069197      -0.35837712       1.12482226
Cl       5.07890997       0.78627300       8.12578005      -1.21330257       0.03733626      -0.23567140
Cl       6.10181003       5.33739997       4.31018999       0.84646705       0.57953234      -1.26569233
Cl       5.20132002       8.49324002       2.77000004      -0.17683979       1.05601408       0.02588323
Cl       4.34504994       3.19615002       0.97671302      -0.30629524      -0.00554801      -0.54625927
Cl       7.26526998       6.45540994       0.24744196      -2.06946180      -0.70402849       0.85042664
Cl       9.75956999       6.77794000       2.70482001       0.38759419       1.24528100      -0.12599062
Cl       4.27739004       6.16643998       6.77651003       2.33403045       0.06443391       2.35762493
Cl       2.22427995       5.42300003       2.71268997      -1.91954063       1.44087652       0.26431902
K        3.27285000       9.96989996       9.12223996      -2.12208018       1.25200657      -0.68315762
K        0.34969396       7.35816000       3.97633002      -0.93743687      -0.50120665      -1.26051602
K       10.60969997       0.36225003       8.63383005      -2.04973183      -0.78528865      -1.13122600
K        7.15592995       9.65110996       0.01338991      -0.05304398       0.05777529       0.51603677
K       10.12439997       3.00292001       0.63021503       1.43122502      -0.67476536      -0.15936529
K        9.56368997       7.30370998      11.47930003       2.45669428       0.78445108      -0.80413619
K        2.84705996       7.67693999       1.07043005       0.35204797       0.03775567      -0.98602107
K        3.81482003       0.02135206       2.58996002       0.03522548       0.28944096       0.90342018
K        0.62708299       2.25988002       4.23250004       0.23519571      -0.03322408       0.07967569
K        7.83458006       9.21954999       4.91673004       0.06658280       0.03391329      -0.17494650
Li       8.71974001       5.13294001       2.37453997      -1.51445094      -1.70801993       0.12760830
Li       4.42951003       1.17664005       5.95108999       0.43218167      -0.12347597      -0.27560664
Li       9.51241002       4.51928002       5.61711004      -0.00757619      -0.11115006      -0.31945901
Li       0.38961303       5.60156004       8.06389995      -0.50436232      -0.15529036       0.05839002
Li       8.93072002       1.03498999       4.22589003      -3.41092081       1.61047796      -1.43973574
Li       3.65109003       4.16076004       2.96957997       2.14428326      -1.60225096       0.18904157
Li       7.04501005       7.58823003       8.57564999       0.12395752       0.06879966      -0.02484329
Li       5.84489000       3.96988002       5.85948005      -3.21449408       2.05584619      -1.47196777
Li       6.04832997       6.62889000       2.69597998       0.46033493      -0.32907044      -0.69267410
Li       6.33336996       4.24952004      11.64270001      -1.08319683       0.92562795      -0.86258368
Li       0.62783595       0.31562605      11.49829997      -0.86732986      -2.11892940      -1.08960461
Li       3.03980994       6.24684999       5.37543000      -1.71721555       0.04300019      -2.01576676
Li       6.55941005       1.21112005       1.23019005       0.01430894      -0.33169028       0.20744562
Li       6.03695002       2.85611004       8.44586002       0.40386484      -0.99679267      -0.02098615
Li       6.77932994      11.52789995       8.77836997       0.83985317      -0.35212165       0.32407261
Li       4.16318999       5.98353000       9.09335998      -0.02278818       0.60545737      -0.61280217
Li       9.47400005       3.27350005       8.01403997      -0.25534839       0.33878246       0.49300872
Li       0.29451901      10.67930002       1.78696996      -1.04084137       0.71401713      -0.00461259
Li       2.81251002       2.58056001      10.83579999       0.01727380      -0.42880674       0.37383838
Li       1.92690006       9.73653999       5.15194996       0.24296416       0.94807841      -0.29638405
60
Lattice="11.77414789 0.0 0.0 0.0 11.77414789 0.0 0.0 0.0 11.77414789" Properties=species:S:1:pos:R:3:forces:R:3 energy=-467.84879617 stress="-0.021534995956171178 0.004953120253394725 0.002576516987208805 0.004953120253394725 -0.02100916497158264 -0.004881907730056924 0.002576516987208805 -0.004881907730056924 -0.02225544432934969" free_energy=-467.84879617 pbc="T T T" config_type=melt 
Cl       1.40418005       0.60681097       8.71946002      -1.35723178      -0.17283795       0.02629980
Cl       6.23261999       0.97642196       2.05396996      -0.87848362       1.74286010      -0.75667451
Cl      11.23120001       2.23055003       2.85443999      -4.14708501       1.50116417       0.93935801
Cl       3.37864001       9.08673996       7.23571004      -1.00290548      -0.54503596       1.25525270
Cl       1.03813003      11.27249996       2.86185994       1.46664527      -2.85586085       1.94270734
Cl       7.29746003       5.66692999       5.61197004      -1.34597033       0.01748011      -0.27356198
Cl       8.77257002       8.12590003       6.71635002       1.50180537      -0.13715102      -2.60321923
Cl       6.57777996       6.67363000       9.11206003       0.22442777       1.49183728      -1.03897887
Cl       4.91607998       5.07220000      10.99329994       2.57501452      -8.75538437      -5.75694630
Cl      10.38620003       7.20110005      10.55229994      -0.83129871       0.31542411      -0.07307779
Cl       4.41257998       0.56314796       9.50594001       1.10301336       0.58792114       0.22558301
Cl       1.92029005       1.90060002       0.79285099       0.49479700       0.13069773      -1.07738552
Cl       5.04950004       8.76042004       1.15907997      -0.38396339      -0.25191748       0.04338343
Cl       9.71162001       3.91788998       5.83404000       0.92833113       0.42984737       0.36675753
Cl       9.15667004       4.25600995      11.08110000       0.32017107      -1.15792325      -0.12107358
Cl       3.69293005       3.94334004       7.29459997       4.34905084       1.53301276      -1.30394080
Cl       8.50320000      11.70230004       5.07359995      -0.36758149       0.37416314      -0.06917641
Cl       6.67300997       3.46521002       8.29318005      -1.38021514      -2.08308417       0.96835083
Cl       2.72409994       5.23578001       1.90385004       0.01726863      -0.02703248      -0.02231814
Cl       7.27486002       5.43913002       1.99257001       0.09435390       0.34840888      -0.22685839
Cl       1.52406996       5.98793000       6.48761000      -0.84343820       0.20136907      -0.37908323
Cl       8.95789004      10.10399996       9.21757994       0.16140044       1.75577147       0.49637815
Cl       1.58282001       6.27560999       9.97265004       1.88357198      -1.81636986      -1.47255501
Cl       8.81204002       9.41708005       2.56252001       0.19128157      -0.47511543       1.22415408
Cl      11.31959996       3.10719998       8.82276003      -0.63721195      -3.02598511      -1.78112673
Cl       2.87450997       0.84865903       5.57510000      -0.14229180       0.54303864      -0.51392953
Cl      10.81910001       6.81221996       3.39323995       0.94797215      -0.23014043       0.26841907
Cl       9.68857000      11.22439997       0.26590700      -0.05748255       1.34229635      -0.23284354
Cl       1.01874001       8.66463994       1.00637998       2.27384712       0.55298372      -1.23670780
Cl       5.37252002       9.30032995       5.19536995       1.76893147      -1.24609186       0.59289800
K       11.59689999       4.11308004       0.91692802       0.33491352       1.01267139      -0.05735747
K        8.02102004       1.08373001       9.83368001      -0.05661661       0.35382952       0.08244054
K        2.24613006       7.64017004       3.38066999       0.27181102       0.39738546       0.29087512
K        7.90721995       3.15044996       3.75297997      -0.02673246       0.11919190      -0.20213807
K       11.02899998       1.51183002       5.88714000       0.52530992      -0.77086621      -0.01000923
K        4.73551000      10.89890001       3.32428996      -1.57227346       0.32743613      -1.01417424
K        7.69276998       9.18445997       0.13288798      -0.53376840      -0.78196491      -1.35049149
K        3.22381997       4.41503995       4.64533004       0.22683116      -0.31116783      -1.00528804
K       11.46860004       9.52984000       7.88425001       0.07378609      -0.18671374      -0.02963848
K        5.58294994       0.72499504       6.50680999       0.26394567      -0.23627866       0.26141392
Li       0.63965095       7.63625996      10.96869998      -0.87020310       1.13194440       0.83270117
Li      11.12220002       8.57734994       1.89199995      -2.63993331      -0.31657705       1.25453426
Li      11.72620003       4.74300001       9.51645998       0.24693200       4.19260969       1.62138486
Li       4.39070997       2.92197003       8.77631997       1.34125638      -1.27451883       2.14756064
Li       1.09683005       1.42389998       2.82107995       3.46288773       0.36103776      -0.10368068
Li       3.29463005       6.77073999       7.93037994      -0.56566748       0.16761091       0.48289810
Li       8.77144995       6.91648004       2.84063999      -1.10251580      -0.16793832      -0.06707529
Li       8.19505996       4.36119995       7.49865997       1.31820989       1.43896110      -1.10126054
Li       1.94305996       3.74167997       7.45683996      -5.46701605      -0.53915805       0.59312845
Li       5.87079995       7.27202999       6.58753001       0.79967949       0.19682153      -0.12030993
Li       4.71970003       2.28822004       0.49084998      -0.48347985       0.16439265      -0.06444764
Li       0.18172102       1.67443996      10.42640004       0.69382109      -0.53776233       0.09552569
Li       7.97121998      11.77400001       1.99432001       1.97635183      -1.00527025       0.20174678
Li       7.52067998       5.58695998      10.77989999      -0.47797690      -0.09948497       0.41256148
Li       7.76637995       9.46788997       4.69245995       0.02147125      -0.01337612       0.51405013
Li      11.35360005      11.29009995       1.57691999      -0.84635002       0.34143078      -0.92550816
Li       4.46503004       6.28424998       0.18593805      -2.98178783       7.71160507       6.58738170
Li      10.65769999       6.16673998       5.63681997      -0.30556598      -0.20292506       0.08250053
Li       2.86428000      10.85349995       8.68505996       0.78324415      -0.33011187      -0.16115979
Li       8.08102004       8.48283002       8.48830995      -1.33728808      -1.23115990       1.34175110
60
Lattice="11.77414789 0.0 0.0 0.0 11.77414789 0.0 0.0 0.0 11.77414789" Properties=species:S:1:pos:R:3:forces:R:3 energy=-470.05652739 stress="-0.02923621120286416 -0.010871108112477086 -0.0041652060973576275 -0.010871108112477086 -0.010958063438245375 -0.002755838896085832 -0.0041652060973576275 -0.002755838896085832 -0.011950789277176802" free_energy=-470.05652739 pbc="T T T" config_type=melt 
Cl       1.15831006       0.43226099       6.14728002      -1.06675918       0.89217997       0.96641499
Cl       5.64689004       5.93438000      10.00460002       0.04697253      -0.37749349       0.07807856
Cl      10.65779995       5.95795997      10.31580005      -0.59160028      -0.71258963       0.44022737
Cl      10.55469998       9.67453003       4.28192002      -0.34068922       0.22475156       0.17469788
Cl       4.01762996       0.58827905       1.71813994      -1.26663726      -0.64029918      -1.95366708
Cl       3.73945995      10.13759997       6.59427001      -0.38182950      -0.55197837      -0.13537165
Cl       8.28333004       6.82732996       5.96834006      -0.78318903      -0.19938942      -1.03291388
Cl      10.29700003      10.87470001      11.33439995      -0.00049471       0.02906118       0.41683111
Cl       0.47606601       1.00543005       2.90024002      -2.47341732      -0.34796085       0.60935821
Cl       8.88773002       9.06547997       8.17975003       1.07811111      -0.54674812       2.59670809
Cl       7.10036998       0.69620796      10.94660002      -0.43264666       0.40983591       0.22984029
Cl       0.48966503       2.30017999      10.41969996       2.54948624       0.78459788       0.19486214
Cl       4.84677994      10.30360003      10.33070000      -0.69240588      -0.60042575      -0.51383463
Cl       4.76500001       5.64503997       6.48609997      -2.06471571       1.47407189      -1.89465577
Cl       3.48564005       7.17361001       1.33849997      -1.33243448      -0.59465986       0.02730521
Cl       2.28798998       4.58450997       7.27409000      -2.21702202      -1.30668283       2.93801368
Cl       5.84214003       8.82089995       1.87890003       0.30639460       1.32309566       0.61160418
Cl       8.81012001       3.14338006       6.39672006      -0.01666002       0.60403230       0.52901032
Cl       2.77602005       4.09681005       4.51473001      -0.34418809      -0.61737947      -1.33377454
Cl       8.58814000       1.33382999       2.63147001      -5.27470265      -2.32115223       0.28718558
Cl       9.60810005       0.28309502       8.30036005       0.57670112       0.23454184       0.10497956
Cl       4.15123004       3.81505999       0.94350203       0.05309255      -0.07177465      -0.22963648
Cl       8.57149995       3.62776002      10.37340000      -0.27866432      -0.41883277       0.15573923
Cl       1.47389996       8.24018002       4.83243997       1.32548130      -0.63158679       0.51931416
Cl       9.48775001       6.12208994       2.14106003      -2.08911262      -1.43781717      -1.31272565
Cl       7.89563996       8.12977996      11.48650004       1.77316797       0.27158892      -0.64176810
Cl       6.56086004       3.93462999       4.23237994      -2.28924027      -1.10368157      -0.91105030
Cl       4.58900004       1.96211995       7.31731996       0.13756520      -0.13476644      -0.22819169
Cl       7.10617004      10.47719995       5.99617002      -1.79489600       1.83306682      -0.89834290
Cl       0.25838297       8.35823999       9.88517001       2.50153245       1.34240474      -1.10609482
K       10.56470000       6.27813001       7.35136997       0.51074625      -0.38158659       0.87105555
K        5.39318000       8.23713005       4.66752996      -0.05397342      -0.07827559       0.44289627
K        3.28888003       7.93532002       9.45551004       0.03958715      -0.25824428      -0.18110161
K        9.50189995       0.72081298       5.21209996       0.49405614      -0.65558124       0.63624260
K        3.39163997       1.93303003      10.29580001       0.18772261      -0.07130613      -0.29258954
K       11.29139994       6.80969994       3.64864995       1.12877487       0.26254199       1.48805826
K        5.29391004       0.79356803       3.83186005       1.55177171       0.20644042       2.49528222
K        1.36792003       5.36599996      11.57219994       0.32882280      -0.35491057      -0.15029317
K        8.54792999      10.12439997       2.13190999      -0.02478061      -0.16692414      -0.38901820
K        1.20761995       9.34275998       1.62093999       0.07490150       0.35719511      -0.07545958
Li       5.27949000      11.19339994       0.40657298       0.85841459      -0.24311861       0.26428342
Li       6.42307001       3.57093999      11.14860001      -0.25559687       0.12929895       0.00657025
Li       8.89678999       5.66568994      11.70909996       0.14651397       0.31118623      -0.55398755
Li       3.76819005       5.23526995       2.97467995       0.39263477      -0.00436535      -0.98074632
Li       6.39588998       5.53934003       7.31326000       3.60891260       0.13540095       1.91575157
Li       2.26123005       6.09655005       6.00130002       0.59172527       0.96182480      -1.16526393
Li       2.09820002       2.22413995       6.25383995       0.93662333       1.62631483       0.38344862
Li       5.22787002       3.51787002       5.71275003      -1.14403998      -0.05514392       1.07480071
Li       6.08777996       7.26244996       0.19288397      -1.13747682      -0.21650561       0.06236391
Li       8.17387002       1.84520996       8.44602003      -0.29467835       0.87289118      -0.06985731
Li       8.20142000       4.71768995       3.78154005       2.50145093       1.52976225      -0.30091844
Li      11.16349996      10.25800005       8.30826003      -0.38906226       0.02792789       0.53152133
Li      10.09239996       2.16614003       2.41116005       5.44097933       2.27883509      -0.92128062
Li       2.13691000       1.50703006       2.11046997       1.65487644       1.18649172      -0.91763196
Li       8.52998996       9.19033998       6.25547997       1.19741501      -1.44987115      -1.53025138
Li      10.16350003       8.68721004      10.63329995      -1.50089507      -0.24501919       0.24488218
Li       1.15613996      10.39560004       5.46446999       0.17589173      -1.90588977      -0.83591214
Li      10.42010004       1.85375999      10.58989997      -2.62771208      -0.86399827      -0.09912696
Li       5.09195997      10.48569994       8.20375999       0.45633668       0.50400775      -0.63845913
Li       8.10050001      10.74859995       9.88879998       0.53285795      -0.24738882      -0.00340212
60
Lattice="11.77414789 0.0 0.0 0.0 11.77414789 0.0 0.0 0.0 11.77414789" Properties=species:S:1:pos:R:3:forces:R:3 energy=-468.49581942 stress="-0.023868853972482083 -0.0034755470262820103 -0.004233235738150649 -0.0034755470262820103 -0.011641656879680764 0.0003832947267033295 -0.004233235738150649 0.0003832947267033295 -0.02004124262153258" free_energy=-468.49581942 pbc="T T T" config_type=melt 
Cl      11.17530001       7.20899003       2.62929003       0.39656117       0.94108584       0.60416917
Cl       0.77711001       4.47458005       6.66991997       0.48334893      -1.31629146       0.24371649
Cl       8.58614005       6.28009006       8.81013002       0.87580716      -0.01761599      -0.10799852
Cl       5.69486004       6.97285996       0.63685400      -0.61538124      -0.08789580      -0.87009536
Cl       8.42173997       9.75052003       1.54715000      -0.87529799       0.46535987      -0.58564937
Cl       2.20986003       5.65365994      10.01759997       0.29351869       0.99395299       0.23060179
Cl       3.07105005       1.28589001       3.40759005       0.83223750      -0.28738897       0.43137802
Cl      10.43560000       3.19360998      10.00009994      -0.56449803       0.79719787      -2.68681941
Cl       2.62695003      11.54260586       6.31273000       0.84965515      -0.32552994      -0.02466999
Cl       8.82626002       1.96311004       1.52813004      -0.38613761      -0.27444244       0.11999293
Cl       8.78850998       6.22280000       1.12368005       0.86733813       0.15378924      -1.78211809
Cl       0.07442380       3.39841999       3.15497995       0.65099823      -0.20553067      -0.33715728
Cl       6.62480002      11.57513594       4.32700995      -0.22735282       0.34966555       0.02320003
Cl       2.45001002       9.01809998       0.95051801       0.79816239      -0.33632796      -0.77902468
Cl       8.06168995       4.65228997       5.36328002      -0.94867379      -0.37237176      -0.63951442
Cl       2.43535003      10.79460001       9.47805000      -0.97143912      -1.43187085      -1.76340235
Cl       0.22085605      11.62630003       2.32437998      -0.56236446      -1.86126379      -1.62296265
Cl       5.94970994       4.77465999       9.27022004      -2.73886509       0.61170765      -0.98466416
Cl       2.16588005       8.19256996       4.59239995       1.08736509       1.66105910       0.45193675
Cl       9.44454996       9.95455000       9.78796005      -0.20048049      -0.65631326       0.53574982
Cl       6.70337997       1.39453997      10.14240005       0.30148275       1.00523985      -0.71638269
Cl       5.66777997      11.31229999       0.38317704      -1.18272710      -1.07097000       0.96679839
Cl       4.11961999       3.27028995       0.26990303      -1.00167132       0.79847958      -0.11532685
Cl       4.51205999       4.02286004       5.28155001       2.33327261       1.69984311       0.18406586
Cl       6.02843001       7.79589998       4.34993998       0.14071613       0.28859532      -0.52825414
Cl      11.55519996       0.65164104       5.54084006      -1.38707230       0.90501295       2.45096835
Cl       6.11741996       8.83835996       8.46471997       2.40658953       0.73208626       0.75959570
Cl       0.83243202       1.70679002      11.42930005       0.73559807       0.22662604       0.22212608
Cl      10.34600003       9.92511004       6.77490003       0.65075378       1.05546239      -1.73805335
Cl      11.39100005       7.09714998       7.09616001      -1.29465286       1.57524089      -1.01334540
K        0.21825703       0.17011595       8.96986000      -1.37479621       0.70458650      -0.80414183
K        6.94267999       5.42715995       2.57309002      -0.89183077      -0.96261389       1.47535471
K        4.10518995      10.17599994       3.46029997       0.21130192       0.37543698       0.41713017
K        3.82438994       8.17151001       7.75504004      -2.19233177      -0.39226711      -0.62938352
K       10.15619994      11.32149996       0.01195206       1.21495569       1.51856192       1.08723694
K        6.40876995       0.54973296       7.42098003      -0.38525759      -0.46829186      -0.27024946
K        9.80771001       2.81674000       6.80323005       0.69178538      -0.14393371       0.06863227
K        9.43378003      11.48859996       4.05344998      -0.05674412       0.10679268      -0.23471710
K        5.63270996       2.48293996       2.32491006       0.69050303      -0.94448739       0.88552331
K       10.87389996       7.26387004      11.35370002       0.41113578       0.17711783      -0.19857121
Li       1.45903004       9.53573002       2.66028006      -1.19033072      -0.17099454       0.62139768
Li       7.62184004       0.06165215       1.10328004      -0.30775635       0.37306636       0.02984717
Li       2.98538006       2.94589004       4.91514005      -2.58826900      -1.22696133      -0.09259292
Li       7.69907998       4.33008995       9.91321002       2.27234486      -0.69328700       0.70438108
Li       0.74741796      10.39630002       6.20854998      -0.01756948      -0.23175428      -0.20622838
Li       9.42761002       5.75292001       6.41200996       1.16728807       1.35240831       0.98500624
Li       5.99624997       8.78622003       1.67676005       0.38927135       0.76663119       0.07624830
Li       3.80148004       5.82508000       0.74692404      -0.36432752      -0.14484476      -0.60722045
Li       4.53523999       3.22654004       9.85879003       0.60817143      -0.24367182       0.10069254
Li       0.62834294       6.08333003       8.42562003       0.87983779      -1.33314533       0.31725052
Li       9.24705994       8.63192005       2.96514995       1.01106659      -1.91015868       0.86539986
Li       3.79094006      11.02580000      10.70380002       2.67165119       0.22764169       2.65394739
Li       9.02303005       9.19488998       7.99563003      -1.71064441      -1.61957666      -0.05408987
Li       0.80652595       0.73987003       3.93687002       1.95389004       1.75033746      -0.15181891
Li       2.01926001       1.89867001       1.74379004      -1.15817045       0.62605922      -1.07886091
Li       0.97143902       6.66390997       4.21172997      -1.45037517      -1.59321064      -0.08088894
Li      10.33049995       3.04416002       0.17007403       0.25309336      -0.21890837       2.42386459
Li       7.48254999       7.54675995      10.24349995      -0.61539467       0.26503903      -0.01814785
Li       1.35825004       3.78172997      10.10529995      -0.91350859      -1.38755590       0.27990015
Li       5.94413005       5.90966995       5.43286994       0.04421924      -0.57460750       0.50623775
60
Lattice="11.77414789 0.0 0.0 0.0 11.77414789 0.0 0.0 0.0 11.77414789" Properties=species:S:1:pos:R:3:forces:R:3 energy=-472.92955475 stress="-0.01788202386556757 0.0007436718926812592 0.003995517002865506 0.0007436718926812592 -0.012901285096570047 0.0018009249370767 0.003995517002865506 0.0018009249370767 -0.01677993577672857" free_energy=-472.92955475 pbc="T T T" config_type=melt 
Cl       5.38947997       1.58502001       8.97360995       1.00261006       2.67766132      -1.59863999
Cl       7.41720994       4.14562001       0.15291098      -0.50330717       0.67298437       0.25009906
Cl       1.91245000      10.02500002       9.14260005      -0.24294528       0.26142037      -0.74137294
Cl       4.63822999       7.35630004       8.21079999       0.72833364      -1.05428470      -1.90712931
Cl       9.51842002       1.12473996      10.53369996       0.30818813       0.15247708      -0.45913036
Cl      10.07840002      11.61280003       7.58206002       0.08369406       0.13248451      -0.72875656
Cl       4.71207003       3.57792005       6.64201005      -1.15434015       0.50802142      -0.44154787
Cl      11.57399997       0.96481100       3.78326002       0.93751860      -0.11754261       1.13386958
Cl      10.44740005       2.70203001       1.56806995       0.61705667       1.15270774      -0.13990560
Cl       9.23657000       8.98509998      10.34160003       0.71289289      -0.51940716       0.82933838
Cl      10.49939999       5.90652001      11.20029994       0.39522862       0.43691849       0.85047190
Cl       9.53906999       8.25904998       6.87840998       0.19661365      -1.87147139      -1.86254536
Cl       8.08291002       7.55935005       2.34609999      -0.41390966      -0.89340531       0.79474016
Cl       0.37796204       6.42753995       7.67702995      -0.06466157       1.27566699       0.12332050
Cl      11.00739996       3.31390998       6.85533995       0.45157670      -0.23685485       0.09727328
Cl       6.75820994       0.19913699       4.88133000      -0.55171156       0.32997644       0.42497649
Cl       4.31693999       0.16374896       0.35311600      -0.91166508       0.10198915      -0.55985915
Cl       4.87056996       4.53743999       2.64431996      -0.39614187      -0.31171304      -0.95485307
Cl       0.58041298      10.62479996       1.06489997      -1.12902985      -0.47200243       0.40903588
Cl       7.43005001       5.60625004       6.28976005       0.94780637      -0.60434031       0.11505029
Cl       5.28058005       7.44757995       3.91584999      -0.33501475       0.65237453       0.23155968
Cl       8.02173002      11.52979994       2.03870996       0.99978455       0.02842868      -0.71444613
Cl       1.47318998       4.55597003       4.52382001      -0.51517512      -0.29429957       0.59100599
Cl      10.53770000       5.41521002       3.49896003       0.64451316       1.30572255       1.37069178
Cl       8.62181995       2.73343001       4.64645000      -0.21203802       0.27334886      -0.13274780
Cl       2.93935998       0.48103599       3.28819996       1.67256886       0.54635963       1.04854362
Cl       6.26317002      10.09910004      10.03109998      -0.43309289       0.08533894      -0.04542731
Cl       2.72982995       7.78074995      11.25519997      -0.76465172      -0.94403613       1.10264504
Cl       2.20180004       4.18747005       8.89119998       3.25515457      -0.95248753       3.03864245
Cl       0.53066402       8.46440996       4.55530997       0.21974014       0.37078093       0.14454406
K        8.37778002       9.49620997       4.52473003       0.06176070       0.47931866       0.11078544
K        0.33760803       3.48418995      10.46679996      -1.50545287      -0.70030787       1.12176034
K        5.52278004       2.01801995       2.12968997       0.77059135      -1.39734060      -0.19617008
K        7.93595994       2.40407001       8.03788003       0.51469940      -0.39533648      -0.42345240
K        4.55847003      10.66980005       5.80255005      -0.34697074      -0.45364009       0.26424078
K        0.88800200       6.52426999       2.14127997       0.76220074       0.59104080      -0.62144031
K        5.79275996       9.82889005       1.76987001      -0.49510631      -0.29078699      -0.30495432
K        4.92350994       4.73149996       9.91882005      -0.01305680       0.02908231      -0.20623679
K        9.29768995       5.51286998       8.65745006      -0.09642329       0.44534113      -0.63195912
K        2.08352001       1.81247006       5.93307001      -0.09014862       0.06793386       0.11429404
Li       4.67894005       0.18478595       9.91748004      -0.72489844      -3.09385446       2.10329363
Li       6.45411997       5.77718994       2.60842000       0.68932387       1.29733724       0.18011498
Li       0.40746605       7.77299997       9.77066995       0.27983546      -0.21453247       0.27981175
Li       3.38440004       4.53862000       3.95422005       0.38244993       0.08987174       1.05475520
Li       8.90243004       2.60873001       0.12908399      -0.30001773      -0.18641186       0.16831368
Li       9.13883998       5.26364000       2.22935001      -1.80780983      -0.62990305      -2.23832987
Li       1.45728004      11.41680003      11.18310003       0.89989316      -0.09088572      -0.89658684
Li       3.82467005       8.46186003       9.61853996      -0.14411909       1.44238293       0.76252696
Li      10.56889996       0.58173098       2.00727004      -0.97594826      -0.73662918      -1.02086314
Li       9.42174002       9.54515004       8.28778997      -0.19541843       1.96760989       1.01563574
Li       1.23308002      11.21689996       3.00863000      -0.57722010      -0.76200389       0.22071116
Li      11.09589998       3.52998997       4.14035002      -0.12527216      -1.15767787       0.39263205
Li       8.99209995       7.86700994       0.60309799       0.99745773       0.26289631      -2.08366475
Li       8.35156005      11.02659994      10.71420001      -0.56521544      -0.04730947       0.18645456
Li       1.43318001       4.49939996       7.29143002      -2.07806663       1.03500750      -3.82902288
Li      10.28610000       1.24870996       5.38485002      -1.17091673       0.03692530       1.43674565
Li       5.64724998       6.56369996       5.94249003      -0.82285107       0.27464491       0.51536438
Li       6.09266999       2.77412994       5.36500999       1.41745014      -0.54180750      -0.67186020
Li       1.14700005       8.86742997       7.00058996      -0.44689147      -0.45946629      -0.09080352
Li      10.66279996       6.87822996       5.11464004       0.16054556       0.44568425       1.01845719
60
Lattice="11.77414789 0.0 0.0 0.0 11.77414789 0.0 0.0 0.0 11.77414789" Properties=species:S:1:pos:R:3:forces:R:3 energy=-470.05296664 stress="-0.024021852485141444 -2.7582464646085043e-05 0.003996524569683697 -2.7582464646085043e-05 -0.018773357624567832 -0.00240704798081148 0.003996524569683697 -0.00240704798081148 -0.013833244532636735" free_energy=-470.05296664 pbc="T T T" config_type=melt 
Cl       8.90085996       3.46471998       9.19990000       0.26752956       0.05534173       0.02329563
Cl       0.40879500       4.95816997      11.51300000       0.07306967       0.06699027       0.98443765
Cl       0.49877704       4.93308998       4.78775001      -0.70368856      -0.04991689       0.26471209
Cl       4.18934002       5.96543997       6.09115996       0.93374981      -0.13223021       0.35412504
Cl       3.50709997       4.35420999       2.69332997       0.23916069      -1.46720677      -0.08781295
Cl       8.91937999      10.61890005       8.63367004      -0.53857637      -0.03873650      -0.07901140
Cl       7.47477999       4.97595000       1.35499001       2.64100710      -2.01826418      -0.10749183
Cl       2.20045001       1.87038003       0.02120395       0.46507785       0.25165652       0.51845229
Cl       3.92941004       6.39157004       0.17074799      -0.70752150      -0.30366472      -0.28866699
Cl       0.70720395       1.20481994       7.59825996      -0.83569653      -1.36446285       0.99930850
Cl       8.27626002       5.42255002       6.18194005       2.25420748       1.29594556      -0.47025135
Cl       6.18356995       7.19163999       2.92723001      -1.86446098       0.54021384       0.63844358
Cl       3.04030999       9.92597002      11.68235969       0.15690510      -0.32321731      -0.04168612
Cl       6.03322998       3.20152998       4.71982001       0.01267891       1.73063923       1.37560617
Cl       1.45526996       8.22379995       7.85658005       0.55799922       0.13291860       0.07189137
Cl       5.22984996       0.50043496       0.43157597       2.49125426      -1.29434067       1.87595325
Cl       4.02450995      11.54710005       8.23127994       0.49033108       0.35523931      -0.03377582
Cl       5.06416003       0.43363398       4.22308001       0.37036260       0.16526398      -1.08143650
Cl       9.27362995       1.70452997       3.66204999      -1.04196037      -0.90235621       0.47741196
Cl       1.95976006       0.62642399       4.90614001       0.52073444       0.93921862      -2.02120984
Cl       6.43502995       8.32320001      10.55930002      -0.26945312      -0.56234220       0.54474599
Cl       2.37673997       8.73532003       4.10576994       0.46967593       2.75279663       1.12572806
Cl       9.22667995       8.77311999       1.68781998      -0.65454871      -1.08570862       4.14662393
Cl       7.24602996       9.35687000       5.51340005      -0.70995297       0.08093265      -0.65009409
Cl      10.69560003       6.91727998       9.39224001      -0.62593510      -0.36499603      -0.94469235
Cl      11.63709999      11.06100000      11.19239996       0.51419549       1.26045377      -0.70861686
Cl      10.36969998      10.37090000       5.36219998       2.99486229      -0.79638962      -1.26654062
Cl       5.43638005       3.33956997      10.97860004      -3.25327109       0.97115001      -1.32248104
Cl       9.12822994       1.58939999       0.52540098      -0.28376248       0.26752719      -0.47470022
Cl       0.77643406       4.09728996       8.42891997       3.50669609      -0.21268146      -0.86861236
K        7.47974998       8.41908997       8.11477004      -0.17196128      -1.27686340      -0.37454931
K        2.04423003       6.51580002       3.10174997      -0.66152377      -0.76209657      -1.92096702
K       10.08759999       3.19459995       5.79233998       0.21632530      -0.14049669       1.13159060
K       11.51999996       2.86028998       2.74779000       1.11545475       0.27722589      -1.02319170
K        3.66686997       2.38220000       6.37236994      -0.17880861      -0.07926604       0.19916138
K       10.23490000       8.83420003      11.26489998       1.14440301      -0.78760043      -2.80387451
K       10.36689997       7.33146000       6.18980000       0.90596408       0.56499781       0.30044831
K       11.10939999      10.95380003       2.57345996       0.16799712       0.20744023      -0.36434894
K        5.15276002       9.94642996       2.43539995      -0.25654323      -0.94571503      -0.19716575
K        7.69138004      10.27410002       0.18752897      -0.54308821       2.06466517      -0.56027944
Li       3.48518004       4.05769998       0.42464701      -0.15287371      -0.18883715      -0.16350719
Li       0.73670996      11.07750005       5.69443005      -0.75328421      -1.04811616       0.95552883
Li       4.73175005       1.21524995      10.47839997      -0.95158828       0.71450986      -1.93009500
Li      10.33250003       0.28607306       8.75827997       1.36676298       1.16441991       0.56619508
Li       2.13256004       5.53447001       6.11006995      -0.75460529       0.14761542       0.74458501
Li       8.76527005      10.78679999       6.22438998      -2.52900189       0.79074806       1.44499172
Li       1.64652004       6.24387996       9.63939998      -0.84146522      -0.13842685       0.01719953
Li       2.20430004      10.38609995       8.59792997      -0.32554736      -0.64633724       0.19444937
Li       6.00111999       6.18715000       0.99181795      -1.29098718       1.05919650      -0.73798600
Li       6.47297003       4.89681995       6.43893002      -2.62215506      -0.95315826       0.15620030
Li       4.26877996       8.14794994      10.75609996      -0.34767541       0.76301645       0.16226640
Li       1.35492997       1.05151006       9.95780002      -0.54158256      -0.02741989       0.00126975
Li       3.61122005       0.40530102       1.65264000      -1.58216962       0.41248610       0.23756585
Li       4.91985996       5.13913003       4.13156003       0.49810479       0.14587431      -0.43368794
Li      10.83440005       4.82963996       8.55100999      -3.02892814       0.97820576       0.94774392
Li       9.99699003       4.36348002      11.66592086      -0.38685758      -0.27745487      -0.44381264
Li       4.84657001      10.61210001       5.49048002      -0.21001262      -0.91384829       1.05336243
Li       6.87718006       1.90504006       3.37148003       0.68203610      -0.66914309      -0.74973355
Li       8.12763000       7.19066003       3.46452995       0.96520416       0.16503171      -0.12602539
Li       7.22907001       2.93019003      11.32100003       3.59773712      -0.55042688       0.76301071
60
Lattice="11.77414789 0.0 0.0 0.0 11.77414789 0.0 0.0 0.0 11.77414789" Properties=species:S:1:pos:R:3:forces:R:3 energy=-469.36438773 stress="-0.0168512770374336 -0.008347610467141827 0.0011672118889528113 -0.008347610467141827 -0.02658057308858717 0.0009490211068245293 0.0011672118889528113 0.0009490211068245293 -0.01263359181330029" free_energy=-469.36438773 pbc="T T T" config_type=melt 
Cl       9.13029995       4.75767001       5.17248996       1.45254784      -0.01060306      -1.84549965
Cl       0.35004294       5.29951006       2.26315006      -0.39971396      -0.36069705       0.20042472
Cl       9.02686995       2.55743005       8.34176996       0.18421586      -2.46574207       0.96984324
Cl       7.02221001       9.51289995       4.53665995      -0.08125366      -0.32992299      -0.59382515
Cl       8.82595000       5.95525003      11.01820003       0.21380997      -0.40509094       0.18659203
Cl       4.54139999      10.60700004       1.21721000       0.34642258       1.09406925      -1.31316712
Cl       3.85865000       2.60129004       6.36993999      -1.18895637       1.54278456       0.72596689
Cl      10.92669995       0.78239695       4.06662996       2.17423139      -1.62471455      -0.75496210
Cl       9.89068996      10.53480002       9.93677998      -1.62826031       0.35294506      -0.57929361
Cl       7.80274005       0.03865205       1.45215005      -1.87916904      -4.47068018      -2.18879192
Cl       3.33163997       4.38228003       9.88464994      -1.33313630       2.00657986      -0.11583952
Cl       1.99777996       8.89468995       3.72945004      -0.66608989      -0.24607973      -0.26197265
Cl       6.19832001       5.62064994       6.70172995      -0.13268370       0.07626566      -0.08535871
Cl      10.00749999       8.79105002       1.30517995      -0.68752223      -0.79174080      -0.10059497
Cl       3.60218999       4.98746994       3.55790000      -1.11219649       1.63155717       1.37761443
Cl       5.08868004       7.31921995       0.78660197      -0.06220557       0.72812385      -1.03382707
Cl       2.73880997       9.57976003       7.16314997      -0.01989103      -0.50887473       0.65754768
Cl       1.14916001       8.45306003      10.55050003       0.17139216      -0.08453413      -0.54500260
Cl       0.71832805       0.52228201       6.80556003      -0.55251471       0.53020087       1.15814313
Cl       2.41865994       1.56937005       1.73047995      -0.14165477       3.84748120       2.90348693
Cl       0.10571795      11.48109995      11.52934687       2.44142394       3.02403887       1.58477208
Cl       7.43979994       1.46043999       5.32855994       0.04364509       0.31744672      -0.13532333
Cl       9.63123001       2.98000999       1.11873997       2.02958691       2.83256468      -0.73304293
Cl       6.93155001       9.26350995       8.72522005      -2.21139522      -0.00937837       0.35843533
Cl       0.31145211       3.73981000      10.37840001       1.17522894      -0.34492792       0.25880035
Cl       5.19903996       0.80161896      10.73119999      -0.46957960       0.08472979      -0.66441208
Cl      10.15459995       9.61002995       6.93351005       1.81845143      -0.13244490      -2.11689011
Cl       6.26784000       3.20147994       2.04657002       1.15053020       0.07762576      -0.17916853
Cl       4.07060998      11.20519999       4.82290997       0.04106627      -0.09165603      -0.26443243
Cl       0.76563598       6.22352999       7.38536994      -0.21562629       1.67801691      -2.40989595
K        2.33662003       6.74033997       0.77400905      -0.45901508      -0.47451141       0.07767568
K        3.56158001       7.06567003       5.64755999       0.19988186      -0.08331296       0.40610129
K        5.67528999       3.51676996      10.25659999       2.30223402      -0.02031753       0.28392233
K       10.40649996       9.91327996       3.75657002      -0.47219670      -0.34031036       0.65032954
K        9.13149997       4.98891004       7.82732000      -0.08716549       2.84912025       0.69384300
K        1.18035997       3.24739005       4.78486994       0.53024122      -0.31852480       0.01409620
K        4.00749996       7.77767996       9.53904998       0.17803813       0.04104994      -0.11394432
K        6.21275005       6.45393005       2.96288001       0.96491586      -0.67797469       1.38866557
K        0.03645206       6.66755996       4.73771000      -0.43046034       0.40661216      -0.20842221
K        2.62312002       1.90959995       8.94536000      -0.29794645      -0.90149921      -0.15934454
Li       4.99825000       1.21287005       5.60278997       1.46524817      -0.75615333      -0.89025531
Li       8.84954999       1.39291996       1.60543003       2.03051843       2.05315381       1.40511174
Li       8.82145004       9.69845004       8.33321004      -0.33658762      -0.34143497       0.86888478
Li       1.46609005      11.10469998       5.21590996       1.12043315      -0.47732940      -0.28756480
Li       7.04456005      11.50959998      10.76470003       0.29964186       0.02461605      -0.33992939
Li       3.76542995       9.27178000       2.37338999      -0.68081888      -1.30192283       1.43806210
Li       2.49702997       0.14975209       0.62223299       0.37572939      -3.64503455      -2.66543591
Li       5.52458997      10.11490000       6.49833001       0.07509186      -0.04673821      -0.33600344
Li       9.96116001       0.27589595       7.69241005       0.32777432       0.35259999      -0.01960550
Li       7.20942002       3.92758999       5.44726996      -1.01971431      -0.74428883       0.22600356
Li       7.85600995       9.15155005       0.50856995       0.50062072      -0.44218644      -0.21224730
Li      11.20820004       9.62442997      11.43144189      -0.19990336      -1.56346937      -0.11906217
Li       0.31154395       1.69759005       1.06250005      -0.49646964       0.12637021      -0.31031996
Li       6.40146998      10.81400004       2.29112002      -1.87583919      -0.88603546       2.37293966
Li      10.01490004       5.54624003       1.51377994      -0.16195222      -0.15144457      -0.84761480
Li       9.84153996       2.27983002       4.12903000      -2.83858405       2.89461680       0.51770140
Li       4.36269998       3.79169996       2.25480996      -0.34662435      -1.56382439      -1.30838505
Li      10.12960002       3.55823003      10.40790002      -2.19062912      -0.17940834       0.27211902
Li       0.94935096       5.09564999       8.84657996       0.96706099      -1.67954183       2.67879053
Li       0.57935213       9.75651001       8.25182995       0.09577337      -0.10021849       0.06356195
60
Lattice="11.77414789 0.0 0.0 0.0 11.77414789 0.0 0.0 0.0 11.77414789" Properties=species:S:1:pos:R:3:forces:R:3 energy=-465.9028565 stress="-0.0287695311937484 -0.0060293127328100386 0.000499084189357808 -0.0060293127328100386 -0.023672598212712608 -0.0036709927317895865 0.000499084189357808 -0.0036709927317895865 -0.023805665620657647" free_energy=-465.9028565 pbc="T T T" config_type=melt 
Cl       7.30961001       5.72936995      11.41150001      -1.02430091       1.00168225       0.80601884
Cl       0.12753698       0.55862998       3.66882001       0.03606996       0.35598687      -0.74268102
Cl      11.07350002       7.23186001       7.91371999      -0.11490641       0.29055330      -0.46372802
Cl       8.49004004       5.60609003       2.53394004       2.85277682       3.09807754       0.81494330
Cl       6.77766001       1.73505998       2.09740997      -0.04561368       0.42112400      -0.40737685
Cl       6.02358000       0.78575894      10.79650001       2.46740726      -0.75825306       2.14007659
Cl       5.24854001       2.29007000       7.32400002      -0.58400059       0.01524793       0.89546091
Cl       9.05618004       9.47728998       3.04842002       0.24844552       0.35255800       0.74496378
Cl      10.97659996       3.09217005       7.18664999       7.51152761      -1.11357236      -4.86615667
Cl      10.91390003       7.23649997      11.40689997       0.67834694       2.31797323      -1.13944357
Cl       4.18343999       4.33060000       9.40964997      -1.28021205       0.43530816       1.98764883
Cl       1.54111998       9.79691994       0.64508402       0.47076404       0.87821669      -0.22517913
Cl       7.81498999       4.37696000       8.96611005       2.46573199      -0.83332807      -2.44557282
Cl       2.56201996       5.12522005       0.18663296       0.54025773       0.94673869       1.32224383
Cl       2.34492999       3.83052003       6.15850997      -0.75712257      -0.12740320      -0.07501400
Cl       7.91413997       9.92774003      10.30990002       2.62167346       0.87992286       2.23371485
Cl       1.03052005      10.21079996       5.77284999       0.31334506       0.97898036      -0.50208241
Cl       2.57879000       1.23918998       9.88561001      -0.75946350       1.41684701      -0.03648148
Cl      10.86569997       3.85320999       0.21689405       0.24022129      -2.87382559      -0.24740431
Cl       2.76968002       2.34206004       1.84566998      -1.66220471      -2.98871170       0.14744215
Cl       1.22619002       5.54073998       3.81105996       0.18738183       1.15103102      -0.71202139
Cl       8.11183004      10.61490002       6.70209000       3.93719139      -1.32651565       1.40967858
Cl       7.79443998       3.71634000       5.15024000       3.76861803       3.27510305      -1.58418966
Cl       3.88899999       7.13345004       5.76978000       0.11452102       0.23409745      -0.22476507
Cl       5.34294995      10.45440002       3.03384999      -0.66963000      -0.85170344      -1.10593785
Cl       9.81950994       0.93786798       9.29553999      -0.52457534      -0.32374898       0.64229187
Cl       2.00833995       9.80514996       8.49818999      -0.25704266       0.13570298       0.17631561
Cl       6.03045999      11.73049995       5.58138999      -2.93157110       1.52694939      -0.13503322
Cl       5.20655999       8.97018002       8.85522995      -0.13065555       0.15086469      -0.82433804
Cl       4.70466998       4.27726994       3.31630002       1.02159601       0.16661932      -0.84714502
K        2.87861997       8.41280999       2.87765002       0.14664206      -0.14061641      -0.06430841
K       10.43210002      10.24240001       0.38196596      -0.30850303      -0.22803776       0.06188170
K        2.52490997       1.04560002       6.58811001       0.17947709      -0.36697826       0.01786177
K       11.67340004       8.02519998       5.00498999      -1.10140799      -1.28118060      -0.54133088
K       10.87979998       3.90750000       4.30998005      -0.59113201      -0.26884039      -0.29665352
K       10.33669999       1.07671003       5.71616995      -1.34159015      -1.47261535       0.46142686
K        1.15780000       4.23619006       9.89195003      -0.77606822      -0.83178103      -0.73179597
K        6.90038996       8.06371004       1.92163996      -0.18087175      -0.36559542      -0.67974523
K        7.62335997       6.96609995       5.74082996       0.03112550      -0.46059832       0.03108796
K        1.77459003       7.36745004       9.75783001       0.16118204      -0.48351391       0.69670190
Li       7.32535004      11.36600000       9.08635000      -0.04773505       1.54483194      -1.03115781
Li       4.52358994       2.95278003       1.24558004       2.11684078       1.33815629      -0.42006019
Li       7.38843004       4.12542005       2.49275995      -2.38260606      -2.99289138       0.11392425
Li       1.29069999       0.61442296       1.95533003       0.38588172      -0.11249649      -0.63456270
Li       6.22184005       9.96425001       6.95162999      -1.57660288      -0.22277221       0.23998869
Li      11.02480003       9.47967000       8.40491001       0.13181140      -0.11034565      -0.16369653
Li       6.61597000       2.53001995       5.72412998      -3.38644900      -3.61047916       1.30869627
Li       7.63321999      11.03599995       4.53840994       0.57496555      -0.66130788      -1.27877306
Li       8.38366002       1.80730003      11.30449997       0.06084516       0.26707290      -0.34008631
Li       6.10982999       4.44788005       9.85340995       0.04586610       0.58336000       1.47327463
Li       2.76867004       9.02132998       6.34302005       0.29354816      -0.05656953       0.68850425
Li       2.39080996       4.33018002       2.32417994      -0.11948735       0.99742123      -0.43184519
Li       2.39145000      11.06039999      10.16030005      -0.21532025      -1.49970635       0.90236544
Li       3.30846998       5.04175006       4.58793001      -0.49309153       0.70807867       1.10649078
Li       9.75109002       3.55258998       8.16873002      -7.26178830       2.39221171       5.84673866
Li       7.02646000       8.34737999       9.84190002      -1.13345503      -3.09832745      -0.30671554
Li       3.78213994       4.34905998       7.53657001       0.66436597      -0.19484553      -1.79659130
Li       4.79634997       0.31261999       1.52698006       0.60756760      -0.11586461       0.26530105
Li       4.65199998       1.27890006       9.66402996      -1.74095161       1.57065953      -2.77772507
Li      10.44490005       5.67554997       0.65047599      -1.47763581       0.34104863       1.54455489
60
Lattice="11.77414789 0.0 0.0 0.0 11.77414789 0.0 0.0 0.0 11.77414789" Properties=species:S:1:pos:R:3:forces:R:3 energy=-468.05108469 stress="-0.016571392283044856 0.009584967918413406 -0.008194307281455995 0.009584967918413406 -0.02480614486195354 0.001295555011259343 -0.008194307281455995 0.001295555011259343 -0.016838592867825724" free_energy=-468.05108469 pbc="T T T" config_type=melt 
Cl       6.49961999       8.23848996       9.35985003      -0.29449419      -5.97095775       3.16958183
Cl       8.83536002      10.97969998       7.23834003      -1.21292278      -0.78123478      -0.81138646
Cl       7.68583995       0.35775501       0.83164598       1.28736495      -0.46787903       0.11748038
Cl       1.77590002       1.52953999       3.63968994       0.20156381      -0.33644343       0.16280567
Cl       1.69164999       0.86724994      10.96749996      -0.79872093       0.27659356      -1.17059236
Cl       6.06722995       7.89293002       1.08099994       0.09041349       0.23094935      -0.59759070
Cl       3.65219997       6.29852001       6.76086996      -1.68789916       2.84771896       0.52847065
Cl       0.31451304       7.46150994       1.48540001      -1.14938885       0.44750668      -0.44343887
Cl      10.30879996      10.38630000       3.75320003       1.61078897       0.55863881      -0.93168265
Cl       4.71934999       0.73619802       2.76980000       0.48688492       0.21009725      -0.05647636
Cl       9.42553000       1.58503002       5.19975995      -0.33484998       0.88354184       0.49209306
Cl       8.53415000       7.19972000       3.56396004      -0.04873130       0.45606176      -0.09791035
Cl      10.13210003       1.96622995       8.71531999       0.25146895       0.36259568       0.17892852
Cl       2.85317003       2.17993003       7.50817995       0.06290458       0.04872650      -0.11215930
Cl       4.49894995       4.89336000       0.94786306      -1.52816760      -1.53696670      -2.14745421
Cl      10.58010000       2.65101003       0.40934897       0.08815803       0.07794430       0.67101390
Cl      10.97309998       6.75443998       7.43879996      -1.19799549      -1.17436712      -0.80156596
Cl       0.06619344      10.08310003       6.93616995       0.89483813       0.19168267       0.63174360
Cl       6.01730002       9.71090002       5.67578003      -0.16367206       0.25490969      -0.16347502
Cl       0.88131699       5.75201999      10.92919995      -0.44822581      -1.31817519      -1.36910660
Cl       7.52509999       4.70141996      10.74509996       0.97590029      -1.63909931      -0.17423106
Cl       3.53884001       4.90704003       3.72290997      -1.13961361       1.66059175       1.89213949
Cl       7.14342003       4.24854997       2.30474000       3.59881949      -3.84728652       2.63764694
Cl       3.28960002       9.28212994       7.89534997      -3.05822183       3.66300751      -0.41883824
Cl      10.64500004      10.48749997      10.49749999       1.58743085       1.33188883       1.98994532
Cl       2.35540004       8.39324995       3.40742003      -1.06335905       0.97160351       0.41738285
Cl       9.60414005       7.39074001      10.37960003      -1.17219497      -0.46373693      -0.18837519
Cl      11.75089995       4.21389995       3.78624994      -1.00181537       0.62591148      -1.28597344
Cl       5.53531998      11.51170001      10.38139995       0.31625849      -0.64196032      -0.59470750
Cl       6.39438995       4.72732002       7.42080000       1.04154246      -0.14838205      -0.11171932
K        4.35870996       2.30386000      10.02870005      -0.00242355       0.43551057      -0.07798145
K        2.86656996       7.00995995       0.32114400       0.61809546       0.98369977       0.38232929
K        0.41294598       3.71795000       6.33919004       0.21088596      -0.59194156       1.51514232
K        4.77389997       7.69767003       3.67586001       1.77748565      -0.45534414       1.05937272
K       10.87379999       1.32526006       2.97711001       0.05548098       0.32148554      -0.69869704
K       10.01949997       5.49400002       1.17694995      -0.27604133       0.26466705       0.07911565
K        7.33519994       1.49790003       7.32567996      -0.18392885       0.51630062       0.10699079
K        8.44431996       4.87990003       5.06648001       0.28085586      -0.77699573       0.00281229
K        1.83197005       3.18684997       0.69741198      -0.28876532       0.67691193       0.66874826
K        3.26944998      10.94600001       0.36709003       0.90808724      -0.90734246       1.03275639
Li       4.35931997       7.93545000       8.37909001       2.53406697      -3.53457378       0.51627091
Li       6.56169000       9.69725002       8.46253999      -0.07471567       6.15416811      -3.96262231
Li       7.21295002       2.35311997       1.38303003      -0.13747509      -0.29630722      -0.19788957
Li       9.44807996      10.35469995       9.00855997      -0.61823253      -0.75423696      -0.87206783
Li       4.27213994       3.27650999       2.97211000       0.70169161      -2.21801104      -0.74241478
Li       8.26196997       6.50050999       7.82609996       0.19569029       0.11243268       0.82019627
Li      10.30129995       0.51098495       0.03525215      -0.47752598      -0.07376290      -0.49996659
Li       4.17688002      11.22309999       4.78254996       0.15113323       0.03604904      -0.14450125
Li       0.25588202       9.01908995       2.86728995      -0.13509586       0.51960012       0.76945395
Li       7.23337005       9.98503998       0.27275214      -0.39260265      -0.07329559      -0.11122372
Li      11.02029995      11.67389997       5.65781998      -0.48090446      -0.11080076       0.15489416
Li       8.78609004       9.29078995       4.38935006      -1.61481264      -0.91786788       0.82600802
Li       4.34847999       4.57263998       6.59657998       0.67594648      -2.84564965      -0.43522094
Li       1.16506006       5.95148995       4.16251003       0.79694899       0.66040739      -0.38886587
Li       0.94508601       7.78525003       7.83755997       0.96675534       0.91868355      -0.17579716
Li      11.15809998       8.55359995      11.03189996       0.77800976      -1.03724706       0.83440784
Li       9.99051001       3.56498003      10.36189996      -0.35717311       0.24179455      -1.01935809
Li       1.04589002       0.15554203       8.56094996       0.03188798       0.01852528      -0.07480906
Li       6.12326995       5.57910003       1.78440002      -1.44089640       4.59240872      -0.90040480
Li       6.50204004       6.41148001      10.93620003      -0.39649278       1.36725082       0.12077296
60
Lattice="11.77414789 0.0 0.0 0.0 11.77414789 0.0 0.0 0.0 11.77414789" Properties=species:S:1:pos:R:3:forces:R:3 energy=-471.18002994 stress="-0.019289339738691562 -0.00741138857966289 0.009938103816575177 -0.00741138857966289 -0.020300089227216368 -0.004695146990875377 0.009938103816575177 -0.004695146990875377 -0.012566852198820951" free_energy=-471.18002994 pbc="T T T" config_type=melt 
Cl       0.33924699       7.60900999       1.55965002       0.75501991       0.88693630       0.92555106
Cl       0.68419102       3.90874994       0.74937494      -0.12693344       0.00379736       0.19167986
Cl       5.25621004       2.33238005       7.07642996      -0.05681735      -0.10129868       0.25423103
Cl       8.06656998       7.48223998       5.46113002       1.04672534       0.39285431      -0.05107259
Cl       9.10990995       5.93161001       2.11667000       0.23944208      -2.68044600      -1.40722856
Cl      10.73129995       1.07458998       6.94768000      -0.39679910      -0.74733461      -0.52656724
Cl       2.40607997       2.63694005       5.06073999       0.17644394       0.47700898       0.91196236
Cl       9.45476003       8.85464996      10.99650004       1.31841147      -0.77485383      -1.23123302
Cl      11.74570002       0.03016289       1.34877998      -0.67991824      -0.86710799       0.60152937
Cl       7.35121997       8.54636003       1.94733998      -1.05877514       0.26253708       1.88812012
Cl      11.29550005       9.59811004       5.24739002      -0.43283350      -1.33418437       0.10588658
Cl       3.05919996       1.63805996       2.14642999      -0.22787982      -0.81270778      -0.86158926
Cl       3.04288005      10.16010001       0.39752596       0.48406288      -0.01210019       0.39586110
Cl       4.42713000       4.91580000       1.18419999       2.81197819       3.98561402       1.01708845
Cl       7.88674000       3.77283001       4.95778001       0.33318914       0.28614679      -0.20775123
Cl       5.47074997      10.33269995       4.43256000       0.25383133      -1.16432544      -0.92890662
Cl       4.84751006       6.79615002       3.90808000      -2.23026063      -1.77867438      -0.50741501
Cl       2.80503002      10.92259995       5.49123004      -1.12512297       0.76952975       1.07314220
Cl       5.92338000       8.13608996      11.04110004      -1.54683428       0.19218648       0.13425037
Cl       6.93535000      10.91650000       9.30621997       0.63283576       0.21366693       0.45810847
Cl       2.11332002       0.43380894       8.53195000      -0.03310269      -1.41914020       0.94459730
Cl       1.40966998       3.35130998       9.18487996       1.07638316       1.27811025       0.98780020
Cl       3.54558000       5.74048003       8.19244998       3.10936736       0.86298879      -0.74597426
Cl       0.72574800       6.85346998       9.58544000      -0.92102296       0.81309711       1.03622660
Cl       8.73568997       5.95455995       9.02678000       1.01076717      -0.36657271      -1.27116289
Cl      10.78189994       1.70025996       3.71264998      -0.29132651       0.41779500       0.53620733
Cl      10.13829994       1.98912996      10.00210001       1.54250516       0.85394276       0.28897266
Cl       6.85361999       1.26670004       0.57377201       0.28262667      -0.02549731       0.12742469
Cl       6.48044002       4.54264004      10.58769997       0.39688947      -0.77887581      -0.24428805
Cl      11.41280000       4.98880996       6.62970996       0.07402844      -0.32141651      -0.27954215
K        5.42211002      11.12949999       7.05806005      -0.53851851       0.56121541       0.17678985
K        2.40310994       9.17560004       3.57845001      -0.50105959      -0.84862531      -1.18375283
K        3.17165002       8.98243997       9.42050997       0.19392650      -0.24368941      -0.05492096
K        6.33405003       5.85673997       6.90300995      -0.75271768      -1.17538891       0.58632450
K        9.47577994       3.35868000       1.58041997       0.00867463      -1.72827000      -0.39526022
K        2.13084996       5.83786001       5.00117999      -0.02561314      -0.24192570       0.22979833
K        0.35948098       9.99408994      11.07549998      -0.23307024      -0.58377254      -0.26579550
K        7.35016995       0.06436538       3.31120005       1.04200128       0.82949699      -0.45364773
K        4.12321004       2.37643997      10.94590005       0.63900024      -0.49275109      -0.65836428
K        9.38232994      10.30279998       7.59809995       0.11629230      -0.26843761       0.15108132
Li       7.95896003       9.50252998       0.28645207      -1.18453875       1.27750499      -0.70476860
Li       0.98298805       1.44262994       0.36276997       0.38735065       1.13786179      -0.38653572
Li       3.09608001       1.96858996       7.50331994       0.46340959       0.79164013      -0.78716397
Li       0.39930304       1.95713995       8.17570997      -0.60308269      -1.09249168      -0.12150411
Li       6.96750001       5.34278005       2.57934998      -0.57594951      -0.06016502       0.28967688
Li       0.96017505       2.74248998       3.53547001      -0.35866187      -0.26826913      -0.73076264
Li       7.58247000       7.35060995      10.07460004       0.61370233       0.10869864       0.28338910
Li       1.70739003       5.45531995       8.48549004      -2.16807951      -0.93862831      -0.22833894
Li       9.04119002       7.61388001       2.87565995       0.64616153       3.19150714       1.88149500
Li       3.42260998       3.56671001       1.57611004      -3.66382822      -3.42367139       1.64008668
Li       3.37137995       0.68443498       4.08267000       0.25872567       0.31601473       0.50513067
Li       8.26178994       1.42134005      10.36290005      -1.95879178      -0.67146329       0.28508603
Li       4.92556995       9.37031996       1.35340003       0.40046101      -0.24709636      -0.46153717
Li      11.04069995       6.16615999       0.63310794      -0.19494024      -0.34165630      -0.43601093
Li       9.33612995       5.84278996       6.68855997       0.09581091       0.05527100       0.13443708
Li       6.30248001       7.89557002       4.36514005       1.66006551       2.51284121       0.09233961
Li       4.70499000       5.43215996      11.11000000       0.12052115       1.49971752      -2.07995359
Li      11.30919998       4.49036000       9.89593994      -0.18408683      -0.02966460      -0.27228473
Li      10.15989997       2.86516000       5.89582002      -0.31803296       0.47523678      -0.61069838
Li       0.07845209      11.44019997       4.61803003       0.19798740       1.38728423      -0.04024364
60
Lattice="11.77414789 0.0 0.0 0.0 11.77414789 0.0 0.0 0.0 11.77414789" Properties=species:S:1:pos:R:3:forces:R:3 energy=-472.66908807 stress="-0.018507114374939706 0.004783301185716566 0.0033209219014463357 0.004783301185716566 -0.019155904350092987 -0.002075334246445147 0.0033209219014463357 -0.002075334246445147 -0.008010821805395802" free_energy=-472.66908807 pbc="T T T" config_type=melt 
Cl      11.17579994       9.41250002       0.91835905       3.47301436      -2.43101871      -2.23527297
Cl       0.83160595       2.58747002       1.99980005       0.53681490      -0.62221708      -0.84545845
Cl       6.81179998       4.47351002       9.43517997       0.08287923      -1.21299982      -0.50609580
Cl       7.23851994       6.05434997       4.85444997       1.04407421       0.51634641       1.06198307
Cl       5.19873995       8.63956995       0.08915208       0.49399588      -0.19576176      -0.28714048
Cl       7.46712998      11.72251213       6.00457994      -0.95075897       0.47260011      -0.63317101
Cl       9.32289004       3.08361001       7.83683999       0.31097518       0.49417800      -0.18321739
Cl       9.78708994       2.64750004       4.34001002      -0.69608290      -0.23254188      -0.20080505
Cl      11.48590003      11.34140003       3.37591006       0.76213501       0.43873217      -1.61766823
Cl      10.34969994       6.60846998       9.45267000      -0.09487135       1.39242825      -0.76682443
Cl       5.58563998       9.12324006       7.51220000      -0.18699216      -2.44981405      -0.03344951
Cl       2.44360995       0.82419695       5.76775002      -0.10603323       0.00112471      -0.18007165
Cl       8.38970005       0.66467596      11.73180005      -0.33469466       1.54892947      -0.13801767
Cl       2.06530999       6.37149995       2.53037000       1.49375585      -0.83735337       0.23149832
Cl       1.23314996       4.57939999       6.71409998       0.17640681      -0.08586497       1.09352120
Cl       2.36313000       7.55186004       7.04512003       0.31907967       0.75495969      -0.62199308
Cl       8.32302999      10.18029998       3.10063001      -2.26399023       0.52920461       1.24409540
Cl       2.43916003       9.59546004       3.57924005       1.21678313      -3.18757661      -0.09288270
Cl      11.24210005       3.81432999      11.17770005       1.43849692      -1.84408005       2.06610450
Cl       3.29363996       3.49328995      10.81400004      -0.21286143      -0.53576700       0.06289209
Cl      11.33320005      11.25239996       8.79535005       1.01365236       0.04111325       0.61663997
Cl       7.69023995       4.67633997       1.41829996      -0.16401394      -0.53749015      -0.22550920
Cl       4.42107997       1.19111001       2.38914003       0.16155173       0.12804004      -0.06285362
Cl       2.29316001       6.69109000      10.34060005      -0.04905321       0.15219413       1.22974266
Cl       4.66086002       3.76897998       4.95871994       1.07038536      -0.35054456       0.74582671
Cl       4.90487005       0.82779701       9.06138999       0.36074547      -0.06641651      -0.81038652
Cl       9.80846002       9.38954997       6.69365994      -0.69962329      -0.77603223      -0.46667009
Cl       8.42326002       9.28211005      11.14179997       0.13636728      -1.24148653      -0.65473666
Cl       2.91200004      11.12679994      11.57219994      -0.70495553       0.47220646       1.06508554
Cl      10.82479999       5.42080003       3.72361995      -0.32057362       0.87505911      -0.26761685
K       11.57499995       7.41059005       5.48375004       0.40877821       0.09464380       0.58138130
K        3.09233995       9.51038004       9.44384998       0.02392897      -0.47290850      -0.70968402
K        7.05865994       7.04561996       8.76707997       0.91972544       1.38829924       0.04614208
K        4.76083996       6.84364999       5.01328005      -2.07358959       0.64244296       0.08866407
K        8.68414005       0.15353995       8.47924998      -0.25522497      -0.03131640       0.30049147
K        1.95791999       3.66042999       4.23566999      -0.02418674      -0.12731940      -0.38906837
K        5.16091998       5.66697003      11.28640005      -0.63571027       0.58674103       1.06137333
K       11.25130002       0.08420011      11.74109998       0.60892110       1.23191755      -0.08746217
K        0.77780198       2.49208000       9.12280006       0.39288956      -0.59709002      -0.82629961
K        0.58633902      10.36409996       5.53744003       0.30770186      -0.30625762       2.58628777
Li       7.09150004      10.76350001      11.38910005      -1.38166417       0.25266736       0.38238435
Li       3.76423994       1.36752995      11.76587773       0.07298100       0.09715478       0.12192132
Li       4.13824999       1.89623005       6.50290003       0.28815611       0.13340391       0.31535499
Li       7.38052005       2.93902995      11.04090000       0.23257017      -0.37252527       0.45759755
Li       8.32613001       4.79073994       3.62427005       1.10018214      -0.61207727      -0.75103573
Li       0.37580301       7.25156005       1.92757001      -1.08747888       0.83804114      -0.64814477
Li       2.59836005       5.94117003       8.46547999      -0.43123128      -0.46974707      -0.76995134
Li       7.20941001       3.87276002       6.94307996       0.37674619      -0.19187257       0.25061191
Li       9.80120997       9.48662994       2.11584004      -1.05846813      -0.46468865       1.04819562
Li      10.94250003       4.29937002       6.34304996      -1.03079188      -0.69584189      -0.22710786
Li      10.01069997       4.80924996      10.24840000      -2.68479142       0.97626874      -1.58529312
Li       5.98112996       2.47089995       3.48623006      -0.36332455      -0.25383258      -0.21640051
Li       7.64605004       8.81257999       4.88673999       0.65725304       0.56227637       0.47674543
Li      10.87289998       3.74984004       2.32535995      -0.70026517      -0.34529970      -0.04552098
Li       9.67631994       0.35162598       3.64702006      -1.57592112       0.69386300       0.57654651
Li       2.28774001      11.46809999       3.32455005      -0.10862059       3.26283992      -0.55042444
Li       1.45128995       4.22347998       0.22602196       0.64014338       0.19184912       0.41025272
Li       5.67037005      11.01280005       7.20301005       0.17306410       2.52090216      -0.19078626
Li       3.86529003       9.13248005       1.67326996      -0.75700439       0.43045495       0.07048240
Li      10.27060004       8.87308003      10.15149994       0.65862304      -0.17314024      -0.36480173
60
Lattice="11.77414789 0.0 0.0 0.0 11.77414789 0.0 0.0 0.0 11.77414789" Properties=species:S:1:pos:R:3:forces:R:3 energy=-471.33221981 stress="-0.01464194594743646 0.005456817660736147 0.00022344782426124893 0.005456817660736147 -0.021167446684539713 -0.0055373665142923545 0.00022344782426124893 -0.0055373665142923545 -0.019688888572252972" free_energy=-471.33221981 pbc="T T T" config_type=melt 
Cl      10.56870003       8.47255001       7.67732995      -0.53910627       0.77722113      -0.25297284
Cl       2.58701001       1.22029000       0.48577803      -0.27459325      -0.82533882       0.41475236
Cl       7.36662997       4.64815996       7.30436003      -0.60062961      -0.70135950       0.65085978
Cl       0.44319400       5.72181000       6.96966999       1.12046127      -0.74843129      -0.12238209
Cl       9.95779001       0.30607604       6.16077002       0.83626461      -0.88430669       1.77708518
Cl       9.40008995       9.92169000       0.92289398       0.35762449       0.97707194       0.35577541
Cl       1.05076004       3.08974999      10.14099999      -0.20559960      -1.08883750      -0.06653157
Cl       4.48793005       5.84408006       9.77461005      -1.18713313      -0.20462608      -1.04478332
Cl       8.72346994       2.65715002      10.98530000       3.86242447      -0.22639413      -0.67097091
Cl      11.04449994       3.38723997       4.92255000       0.40709621      -1.41845089      -1.05137296
Cl       2.41852996      10.66969997       6.69922994      -0.34167765      -0.18608837       0.02923804
Cl       7.62849997       6.30932998      10.72710000       2.49083054      -0.87601435      -0.26227318
Cl       5.49679002       6.15326000       5.18055996       1.64364906      -1.44844435       0.90826338
Cl       0.97543399      11.74209995       3.34453996      -0.63791893      -1.23551367       0.58761275
Cl      10.72450003       6.88232995       1.03380998      -0.00631477      -0.64851290       0.41543467
Cl       1.22984001       6.48825004      10.19609994       0.26713699      -0.17008989       0.41754328
Cl       6.75274003       8.88094999       7.29865004      -2.99695994      -0.29654491       2.46011645
Cl       5.70369995       2.51243997      10.71890001      -0.97913699       1.22162230      -0.92349977
Cl       7.29729001       2.82852003       2.32050005       0.84716717      -1.22915974       1.01534608
Cl       5.66346003       9.25839997      11.52140003       0.09719403      -0.35452570      -0.24354283
Cl       5.91394997       5.16074996       1.20959000      -1.15603242       1.11731213       0.74409376
Cl       2.47132994       8.69363001       0.49794696      -1.96566660       0.34306483      -1.88507479
Cl       4.87768001      10.14099999       3.30202999      -0.10468949       0.08892409       0.11554320
Cl       0.18934502      11.01769998       9.53825004       0.12859559      -0.25885621       0.62293927
Cl       3.49541000       2.77577997       5.12120001       0.23255484      -0.60469631       0.20849444
Cl       6.79804000      11.53199994       9.42547996      -0.56373389      -1.30458270      -0.44163817
Cl       1.75359002       3.98574004       2.51430005      -0.55722386       0.41956195      -0.70179999
Cl       2.08663003       7.10074004       3.80138997      -0.87056989      -0.12787704      -0.57743570
Cl       8.65232995       7.62688997       4.57565004       1.45313936       0.09220709      -1.43186608
Cl       6.62429997       0.21933801       5.40822006       0.36618462      -0.12707253       0.35785046
K        4.05706005       8.07292001       5.43326002      -1.40240752       2.97101552       0.86397176
K        8.69460997       9.13365005      10.12400000      -0.12092040      -0.22456444      -0.43221716
K        7.37983998       7.98256002       1.96409000      -0.30627010      -0.22051054      -0.23949418
K        3.30528001       4.13183001      11.75690854       0.28855183      -0.11388940       0.81468193
K       10.78619998       1.72153996       1.49416998      -0.42373890       0.10162351      -0.35681141
K       11.14820004       8.90744995       3.06314995       0.02946923       0.32843477       0.38664992
K       10.58269997       4.12007000       9.07664999      -1.02423190       0.76285285      -0.05911587
K        3.55241996       9.06308005       9.34459003      -0.03775513       0.10380923      -0.08794303
K        6.03946003       0.45986395       0.66833702      -0.53078121      -1.05240716       1.38864590
K        9.59537997       5.23440997       6.08763996       0.04790599       1.28246573      -0.57357876
Li       5.63928006       2.05249996       5.34451002       0.04995085       0.77096003      -0.05814244
Li       6.08679999       4.49967994       9.04255994       0.32993020      -0.24343629       0.48531543
Li       3.34994994       0.22164304       5.14505996       0.04649383      -0.11822301      -0.35827339
Li       7.31099995      10.61560000       7.69138004       0.98600593       2.90229376      -1.02156409
Li       1.50514996       1.82364996       2.70913005       1.24558734       0.58731187      -0.37975570
Li       5.49701997       5.16574997       3.49015002       0.19775161      -1.14832434      -1.97762575
Li       1.48786999      10.85629996      11.50739998       0.37484258       0.62854340       0.22970881
Li       0.19880295       7.14500000       8.53503000      -0.07601147       0.27899990      -0.64560463
Li       7.47891001       7.69224003       6.15792998       0.60023497      -3.07469606      -1.58831205
Li      11.55120004      10.56389995       6.22495996       0.57392808      -0.58784400       0.38568653
Li       0.20181702       8.05521004      11.46180000       0.36275118      -0.08624593       0.11795867
Li       7.46689002       1.23255995      10.44880000      -0.00695565       0.87748788      -0.05757898
Li       3.42391997       9.03861996       2.17071005       0.79082183       0.13527393       1.53229902
Li       0.36843405       5.98106002       2.59733005       0.33933786      -0.31376363      -0.17143333
Li       5.96936994       7.23489998      10.32490005      -1.00698615       1.29172560       0.31320433
Li       7.38282001       3.71037003       0.16888496      -1.68510224       1.44084341       1.25734553
Li       1.98231002       4.41179994       4.63044999      -0.30533835       0.33820307       0.65303109
Li       9.22845996       1.47630000       4.70207001      -0.77114443       1.20624035      -0.89196255
Li       2.35279995       4.35560994       9.12044005       0.22530600       1.10946283      -0.76057725
Li      11.40312589       0.92209004       8.26591996       0.08543719      -0.00490473      -0.17331265
60
Lattice="11.77414789 0.0 0.0 0.0 11.77414789 0.0 0.0 0.0 11.77414789" Properties=species:S:1:pos:R:3:forces:R:3 energy=-470.32852967 stress="-0.019315562209706663 -0.005848136752439622 0.003059623150381699 -0.005848136752439622 -0.016308420851225046 0.0014471094197107386 0.003059623150381699 0.0014471094197107386 -0.017163614368726158" free_energy=-470.32852967 pbc="T T T" config_type=melt 
Cl       5.24809000       3.16329002      11.59610005       1.09704450      -0.56083552      -0.67475828
Cl      11.56389999       9.95150002       4.28099999       1.49289137      -1.24188565       0.68655152
Cl       1.92752997       4.18096000      11.30989995       1.92134521       1.62282216      -2.67233986
Cl       7.11871999       8.11524996       8.08299998      -1.42442586      -0.40160710       0.68002699
Cl       9.52913002       2.85003999       0.87712598      -1.34267395      -1.21369608      -1.78983694
Cl       9.74840998       0.18793200       3.31097999      -1.16014833       1.39874658      -1.31239234
Cl       7.73835995       6.42632003      11.27770001       0.29176856      -0.44758056      -0.53736053
Cl       6.91301997       1.04714997       8.41754002      -1.44511667      -0.52708929      -0.55722803
Cl       9.90974996       2.76195995       9.06489998       0.54779459       0.17216383       0.10071713
Cl       2.78894006       1.79887998       1.94602999       0.04475140      -0.25739015       2.00602468
Cl       2.79180000      10.07750001       8.94210998       0.54877386       0.15306781       0.06088768
Cl       5.47511994      11.10650001      11.72470000      -1.25429786      -1.95695404      -1.60182815
Cl       0.11924904       7.95575994      10.64950000      -0.05908857      -2.03733323       2.50220066
Cl       2.90687004       8.61699997       4.63734999      -0.93946923      -0.18352173       0.08755765
Cl       6.08158004      10.56139994       4.52036995      -0.15548906       0.03701987       0.03134901
Cl       8.88182999       8.27047997       2.82470003      -1.14324668      -3.06482630      -0.45554746
Cl       9.23856995       1.10449996       6.20760004      -0.01905220       0.05867763       0.28022294
Cl       2.62417004       2.21882004       6.75428998      -0.65107964      -0.32937773       0.08411821
Cl       4.32177999       4.99359002       6.46917004      -1.76020362       0.65089331       1.17089283
Cl      11.51390001       9.31866995       7.31903003      -1.71907097       0.34142651       2.26132351
Cl       5.78729004       2.81485001       4.42764006       1.30495213      -1.47749022       0.50291681
Cl       0.41412798       4.83966000       3.10217996       0.12036309       0.53169668      -0.05210009
Cl       3.35993996       6.34217997       9.34260997       0.46315309      -0.01933316       0.11980869
Cl       4.19263996       6.79395002       1.35357005       0.04433496      -0.20588465      -0.14207433
Cl       7.58356994       4.91432999       7.36697001       1.13553007       0.80824614       1.74889926
Cl       9.57680001       4.35873998       4.82369001      -0.15720620       0.29031450      -0.59921328
Cl       9.40100998      10.76229999      10.57959995       0.61184047       1.06780132      -0.92615829
Cl       0.53822503      11.28550003       0.14535998       3.12117171      -1.78334698       0.27602431
Cl       6.01626001       6.20551001       4.13266998       0.59496852       0.62995187      -0.41150663
Cl      11.29039996       5.70133005       8.04436994      -0.92179990      -0.11685856      -0.51271874
K        6.68959998       0.90572703       1.44345001       1.07054081       1.49346026       1.67396399
K        8.75195996       9.88378996       7.14241004       0.26935026       1.55226672      -0.53851022
K        1.17356994       5.03026002       5.77917000       0.35406693      -0.15322285       0.75638004
K        2.01932005      11.47060000       4.00656003       0.66612333       0.78353460      -0.16318544
K        2.87593994       9.20226001       0.14242103       0.17476442      -0.02919412      -0.46103945
K        2.93441001       1.15846995      11.26299999       0.45693961      -0.47953521      -2.06930340
K        0.44784596       3.15315001       1.05175002      -1.45876293      -2.15943946       1.57251508
K        0.60841296       7.65578997       2.42406004      -0.14270487       0.17209002      -0.14962612
K        7.95199998       9.17446996       0.34902201      -0.59012646       0.04066726       0.02013980
K        3.71158995       4.08494995       3.30270994      -0.37046375       1.06307051       0.08316469
Li       8.94606998       6.61370995       5.69353003      -0.44157527      -0.66125450      -0.15831755
Li       9.87614995       3.87722996       2.51211995       0.30612834       1.25185305       2.11183796
Li       5.32808003       6.76244004       8.28403001      -0.19008106      -0.27742179      -0.38314009
Li       0.72547896       6.20131995       9.69429000       1.13775336      -0.62891708       0.08413510
Li      10.80310000       0.58287401       0.09465708      -3.45874934       1.42325677      -0.11968538
Li       4.55906003       1.55804002       6.17593995       0.83357690      -0.16675283      -0.25394531
Li       0.06133707       9.60824005       9.74705996      -0.12041891       2.64381297      -1.48030337
Li       8.00442002       2.06811000       9.82716997       0.09522407      -0.02750776       0.58581216
Li       1.26401000       9.16666994       6.16448994       1.73767731      -0.18747658      -1.35846298
Li       5.25975994       9.91647005       8.94981004      -0.16419527       0.31644045       0.09848358
Li       4.33192000       4.01168002       8.85199995      -0.50433291       0.35371233      -0.07948617
Li       9.11321001       3.47151002       6.72757997       0.31871067      -0.63694028       0.73035334
Li       3.96933005       4.67881995       0.31998496      -0.72193305       1.19255429      -0.22033645
Li       6.60292000       6.58518001       1.27118999      -0.71820167      -0.28533634       1.23205397
Li       4.98166999       8.45280995       4.34476995       1.25650132      -0.20696703      -0.09058205
Li       6.12906000       4.26319995       6.20130005       0.23768144      -0.71244282      -1.88551174
Li       8.13987994       1.63705998       4.50673996      -0.37242668      -0.14049107      -0.70213426
Li      10.73990003       0.88978295       7.57423999       0.60667006       0.17060913       0.90712639
Li       9.75752000       9.80795997       3.42044000       0.20946446       2.42444397       0.46135454
Li       8.90949006       5.22297998       9.76095004       0.33448409      -0.06668987      -0.55820958
60
Lattice="11.77414789 0.0 0.0 0.0 11.77414789 0.0 0.0 0.0 11.77414789" Properties=species:S:1:pos:R:3:forces:R:3 energy=-468.79121228 stress="-0.017879690059199746 0.005104035706073886 -0.003282929130106553 0.005104035706073886 -0.020352089405547766 0.002988220273498576 -0.003282929130106553 0.002988220273498576 -0.015535622244675812" free_energy=-468.79121228 pbc="T T T" config_type=melt 
Cl       3.19837004       5.44506996       8.17942000       2.85153695      -1.54581100       2.65904002
Cl       4.95079995       5.85594004       0.65501198      -1.71025481       0.76736954      -1.21860025
Cl       4.04201999      10.02870005       9.17437000      -0.49045937       1.35451102       0.47523542
Cl       5.22292005       2.12108001       1.71932995       0.31428810       1.97990368      -1.32998165
Cl       6.81409994       8.62922000      11.77039994      -0.22124120      -0.76681132       1.11201992
Cl      10.52480000       6.31110999       5.34406002      -1.03884579       0.47045979      -0.60549592
Cl       6.01851994       3.05698995      10.33549996       0.20402745       0.19228040      -0.18382514
Cl      10.21910003       2.84943998       0.09040379      -1.41426114       1.93319745      -0.89632196
Cl       1.29737004       2.35394004       2.16916999      -1.38880143       1.60457037      -0.89399779
Cl       4.38886002       1.74473998       6.17316996      -1.84295338       0.44816686      -1.10036855
Cl       7.34077995      11.04699995       5.96744004       0.27116170      -0.91185397      -1.11478572
Cl       1.34105001       4.81605000       5.98814005       0.19087187      -0.28750626      -0.66742908
Cl       8.51887999       5.52803002       8.98873996       0.64185816       0.32502723       1.31140145
Cl       8.08435000       5.34481003       1.60335001       0.54601797      -0.43308010      -0.57391190
Cl       8.68500003      11.69049999       1.10896001       0.54668948      -0.17577577      -0.21894660
Cl       0.23257098       6.35262999       1.93446000      -0.06277915      -0.78791269      -0.02379128
Cl       0.84631504       0.28698803      10.43590001       0.27614278       0.71544065      -0.05622758
Cl       6.04461004       8.00685998       8.34524004       1.22942267      -2.25259816      -0.38562731
Cl      10.80949996       8.64645995      11.02110000       0.05008432       0.05236913       0.14450515
Cl       4.11461998      10.76040000       1.00762004      -0.26801704      -1.56299981       2.50684569
Cl       7.49556996       3.32240998       7.23370997       0.27094606      -0.53781867      -0.54622501
Cl       9.19041004      11.61570000       8.78374004       1.32933069       1.55073850      -0.83406849
Cl       9.27921996       8.79362997       2.82636995      -0.34315652      -0.76291854       0.98319716
Cl      11.22430001       1.45477003       5.17685004      -0.10897021       0.05905655       0.61790699
Cl       1.56112002       8.75662005       7.66425005      -0.72930461      -1.68553239       0.73182370
Cl       3.37467000       8.73887994       4.75825000       1.26274754       1.63548581       0.16872019
Cl       0.43970496       9.25019999       4.24026003       1.63749343       3.02727107       2.08466508
Cl       5.36707000       5.67167003       5.15181997      -0.14572534       0.14522409      -0.69774366
Cl       7.36238998       2.21496000       3.96688998       3.68775809      -1.01274046      -3.97709491
Cl       0.77913999       5.29974000      10.40899996      -2.69271780      -0.33549974      -1.38662591
K        6.29964998       9.48413005       3.75415997      -0.28121507      -0.15289037      -0.57117241
K        1.90752004      11.21770001       7.03587002       0.26476303       1.41295810      -0.56509928
K        0.32784597      11.63640001       2.94390998      -0.67678051      -0.49327349      -0.27883167
K        6.14223998       0.73511198       7.73013995       0.30835657       0.04953211       2.56248250
K        3.14363002       8.28666000       0.32127799       0.24774388      -0.18071130       0.03878733
K        3.40965006       1.31939005       3.16741003       0.12857614      -1.80362999       2.34831988
K        7.35661005       9.98942997       9.58947995      -0.49564920       0.01752509       0.21101315
K        9.49713001       9.25087994       6.37312996       0.68892896      -0.39614246       0.12271537
K       11.70159995       2.94659001       8.54564004       0.11829463      -0.02017090      -0.04018014
K        4.15156996       0.80714598      11.16330003      -0.32094595       1.83287423      -2.25724435
Li       8.80786998       6.40661999       3.26361000       0.43607875       0.62139567       0.72756155
Li      10.81789999       4.19156003       1.69880997       0.20266943       0.42440030       0.14687875
Li       9.74209998       6.38017997      11.46379995       0.09828193       0.34403691      -0.30404572
Li       1.17340004       3.75572005       4.02996998      -0.33469306       0.00815973       0.25501798
Li      11.32459997       7.85197000       3.50994001      -1.92351448      -3.01985976      -1.44859446
Li       1.82812002       6.53309000       7.58817999      -2.95824218       1.80253865      -0.97081060
Li       8.70527005       9.34823001       0.84053699       0.21911738       0.34209763      -0.62667006
Li       4.38813002       8.59632998       7.36720996      -1.33773071       0.45237690      -0.55574013
Li       3.23989004       6.77750000       4.98176996       0.06972683      -1.84762358       0.10945858
Li       5.89862003       4.47223994       1.81090998       0.71138554      -1.05617709       0.67503448
Li       7.02130999       1.23488005       1.47186998       1.19829021      -0.18227022       0.35793193
Li       9.44972999       5.38137994       6.97795004      -0.59105727      -0.30846977       0.01893950
Li       5.79850998       5.66246995      10.09079997       0.37261661       0.06510854       0.12494628
Li       8.31826005       3.11620002       9.85484004      -0.40802849       0.25721611      -0.15699987
Li       6.29385003       2.48773004       5.33968003      -2.73356960       1.37442011       3.83667239
Li      11.18210005       1.17209005       0.14855207       0.60127725      -1.89123440      -0.04530842
Li       4.92375002       5.06114997       7.16360999       1.17107958      -0.51367149      -0.42420831
Li       2.40709997       5.49816995      11.30919998       2.60759132      -0.23076776       1.41353184
Li       1.08863995       9.94888004      10.28139999      -0.51425398      -0.82657677      -0.58439223
Li       8.90228004       0.85718104       5.84887001       0.27801302       0.71661601      -0.20428591
60
Lattice="11.77414789 0.0 0.0 0.0 11.77414789 0.0 0.0 0.0 11.77414789" Properties=species:S:1:pos:R:3:forces:R:3 energy=-470.9863201 stress="-0.01420150169750873 -0.0002904265884042539 0.000261327124965123 -0.0002904265884042539 -0.01926928840378695 -0.0027215379212204268 0.000261327124965123 -0.0027215379212204268 -0.01357793090822762" free_energy=-470.9863201 pbc="T T T" config_type=melt 
Cl       3.02361001       9.37223997       5.18787995       0.48122476       0.67029105       1.10642115
Cl       2.41777005      11.70779998      10.38340002       0.27545021      -0.39408650       0.16183516
Cl       8.31662003       6.56680998       7.84823995       0.50587953      -0.39695081      -0.20727529
Cl       7.16568000      11.51369997       6.18754996       0.17751498       0.11801184      -0.02436363
Cl       0.15576397       7.95282005       0.51849003       1.17113355      -0.10897976       3.81123686
Cl       3.84140994       2.09422000       6.23127997      -1.36724459      -1.24129388      -2.24480279
Cl       2.21434998       6.85358996       9.38994005      -0.97714146       0.69739276       0.09153575
Cl       6.42073002       0.49952199      11.01769998      -0.39644100       0.41996213      -0.15824326
Cl       3.60309000       8.51558005       2.17984996      -0.84574329       0.28415966      -0.61960708
Cl       0.19178497      10.09310005       6.69638001      -0.12058194      -0.06646185       0.06080955
Cl       0.57612495       5.36296000       3.59516000       0.07185916       0.25432146       0.29329998
Cl       1.73440004       1.05277001       3.71796000       0.32013058      -0.19153197       1.32207050
Cl       7.27802998       3.27892004       5.19827005      -0.75652910       0.15323429       0.33875917
Cl       6.99399997       4.39474003      10.98090000      -1.98933545      -2.22513138       0.57529979
Cl       8.54041997       6.71521005       0.00469329       0.20632650       1.85026412       0.86517243
Cl      11.37350001       1.85764004       6.71884002      -2.06205878       2.41091214       1.39874814
Cl       5.56912003       0.49377998       3.21712001       0.59434666      -0.26858515      -0.45574126
Cl       9.17228998      10.07859995       1.95806999      -0.15724248      -0.39256095       0.05732477
Cl       9.14019000       1.97310005       2.10728000      -0.09606490      -0.28098766       1.28746265
Cl       4.89536996       8.19307001      10.81729998       0.70257995      -0.26857633       0.35695093
Cl       3.11966998       4.23517995       1.84665006       0.94329504      -0.75656131       0.55571852
Cl       3.75343999       3.81634996       9.91186000      -0.98060953      -0.28303083      -0.29914079
Cl       5.08504996       6.02496005       8.20377000      -2.12594903      -2.91225930      -1.69695004
Cl       5.40585004       6.50586994       4.73045995      -0.82109874       0.34523893      -0.63532481
Cl      10.27889999       1.34925000      10.77709998       1.00838013      -0.06965197      -0.47970530
Cl       1.84370004       4.56055005       6.84359995      -1.10660705      -0.59796882      -2.40015552
Cl       9.21569997       6.82589999       4.40121004      -0.14994270      -1.19963348      -1.11426358
Cl      10.75359996       4.33153004      10.65939994       0.03459406       0.67918171      -0.29542054
Cl       5.84947002       9.14852998       7.73897998      -0.76477481       0.87063131      -0.35243934
Cl       8.78767001      10.09899996      10.00610004      -0.45276225       0.12136023      -0.19385949
K        0.96069405       0.60627195       1.25060996      -0.55853998      -0.34572763      -1.51547506
K        6.26011003       8.23878997       2.04729001       0.89174203      -0.49834237       0.33228432
K       11.19350002       8.76721996      10.21660003      -0.65526462       1.11396773      -3.70538101
K        6.18926004       3.00357006       2.17491000      -0.15435320       0.46139240      -0.51303238
K        1.07223998       5.47303003       0.54296401      -0.25009842      -0.46310687      -0.34192563
K       11.01999994       6.26175995       6.86398995       0.61058628      -0.02313459       0.17484941
K        9.10856994       9.12421001       5.41614006      -0.19433325       2.39872200       1.16187433
K        3.37649005      11.54530002       7.32274996      -0.28500589      -1.40004842       1.44666371
K        9.78811995       4.13197001       4.38910998       0.80421451      -0.96668106      -0.30635328
K        1.34501001       2.44290998       9.35111997      -1.27078442      -0.11654030      -0.26123083
Li       0.74442898       0.71422299       5.83034999       1.40483806      -2.42582187      -1.68075995
Li       9.27786005       0.15058299       0.29139803      -1.11971433      -0.84565739       0.54371652
Li       9.28417005       3.02133995       0.29775195       0.14876114       0.55954067      -1.41322636
Li       4.87011995       3.30195004       7.17013004       2.30766476       2.27488227       2.00226577
Li       7.81356002       0.99933304       4.55304003      -0.31958320       0.26377469      -0.47937732
Li       3.82692998       5.85099996      10.66790005       0.74732226       1.00694216       0.15729885
Li       6.39735998       7.29023000       8.58001996       2.03570985       1.98584651       1.26491574
Li       3.84168004       5.07911002       5.29119998      -0.54650582      -0.29540271       0.02082189
Li       3.85836001       9.67494001       0.25113904      -0.37390403       0.39296342      -0.36715430
Li      10.68159998       7.92171005       2.33400005      -0.57967987      -0.04257218      -0.15667753
Li       7.05219005       5.56513000       5.62991996       0.89215373      -0.02238957       0.63347876
Li       5.26734002       2.50473002      10.25689999       1.74494390      -1.05136607       0.97096030
Li       7.40074003      10.93349999       8.34275004      -0.09297709      -0.12964850       0.55070216
Li       7.79104997       9.11335001      11.75285411       0.60266579      -0.23349460      -0.62125559
Li       8.53741003       5.25573001      10.06379996       1.44759922       0.73205287      -0.69096656
Li       4.27194002      11.53285792       4.64927002      -0.39831933      -0.30446392      -0.05021720
Li       2.74777999       7.67334005       3.94256000      -0.15081979      -0.46326943      -0.23760515
Li       1.63098004       3.23067995       3.52458999       0.26893323       0.71768830      -0.13253998
Li       3.50928996       8.50962998       7.47024000       0.35596955      -0.46177787       0.11648549
Li       2.99550005       5.25626997       8.16838998       1.36419093       0.96096264       1.99150823
60
Lattice="11.77414789 0.0 0.0 0.0 11.77414789 0.0 0.0 0.0 11.77414789" Properties=species:S:1:pos:R:3:forces:R:3 energy=-468.77807148 stress="-0.018879306742658968 -0.002949932079048847 0.003156020812159388 -0.002949932079048847 -0.020082394688754154 -0.0012357114155188652 0.003156020812159388 -0.0012357114155188652 -0.015587271831198101" free_energy=-468.77807148 pbc="T T T" config_type=melt 
Cl       6.21072996       8.88610000       6.92191004      -0.12046950      -0.49052565       1.08889554
Cl      11.08830001       4.93925998       7.19543998       0.18891885      -0.97430727      -1.35950105
Cl       5.18099996       6.94745005       3.38621997      -0.02033596       0.04297127       0.35704693
Cl       7.66402999       3.40687995       8.08431998      -1.96828838      -1.70984380       2.33447079
Cl       0.74916795       9.46312003       1.80967005       0.09388833      -1.09409998       0.23223830
Cl      11.09379995       2.28808005       8.99587003       3.07504436       0.41922934      -0.08727014
Cl       2.90569003       3.02878004       6.45342000       0.52631233      -1.31174298      -0.71954392
Cl       5.20238005       5.62451998       7.02709004       1.32846073      -1.93703735      -1.20481440
Cl       4.54384995       3.68340005      11.31720004       0.53210522      -0.37311392      -0.47721013
Cl       5.85778999      11.40499998       5.10279996      -0.23641305      -0.13771451      -0.77753162
Cl       8.66712005       2.33348999      11.58740001      -0.54457395      -0.82315622       0.29604817
Cl       4.69575000       0.58676501       9.20975002       0.55947229      -0.39443234      -0.44821249
Cl       9.96237004       5.45151996      11.19839995       0.33354679      -0.52568467      -0.33602179
Cl      10.38919997       3.18017003       3.04675999      -0.82828820      -4.02475523       1.32322777
Cl       8.81153998       0.23747903       7.94251002      -1.01973501      -0.92826989       0.07815969
Cl      11.62869996      11.77020002       5.26354003      -0.61671412       0.75674858      -0.15877490
Cl       7.72321004       8.72772994       2.03506998      -0.46425210       0.14351074      -0.16782797
Cl       1.85105005       2.23566001       2.17316001      -0.86633135       0.39783831      -0.11595798
Cl      11.61540000       0.04825211       0.30165697       0.59789757       0.18093204      -1.34503064
Cl       4.57108003      11.21909996       1.39644997       0.01731342      -0.13919662       0.86753000
Cl       0.05721859       6.24780004       2.82253005       1.08724299      -1.35276178       0.81124757
Cl       8.54706000       8.78473001      10.27239995       1.18335499       0.14850824      -0.10290709
Cl       5.26884005       8.15893004      11.28650001      -2.51054600      -1.32772713       0.02975790
Cl       9.28981999       7.97537002       5.98549004      -0.31477876      -0.23195976       0.95222234
Cl       2.39243997       5.90860003       5.12006003      -0.69498451       0.95864288       0.12679672
Cl       2.45082998       7.04894003       9.62382996       0.49009272      -1.32510007      -0.54347080
Cl       8.06969001       3.98546005       4.62949004      -0.66038675       0.48459314       1.13179914
Cl       4.43872000       2.78512994       3.47849997       1.17788164       1.69708011       0.72210595
Cl       8.82499995       0.17659303       2.35018998      -2.56416374      -1.39581282       1.98718427
Cl       1.09068995      10.60149998       8.08207005       0.12404030      -0.18001821       0.73776712
K        2.90414998       0.19927404       6.08796999      -0.56920911      -0.23332143       0.02114091
K        6.08252998       6.27891005       9.32376003       0.65689105       0.03133666       1.62547137
K        2.45323002       9.34434996      10.97629996       0.15096782       1.17875424       0.31883816
K       11.49139997       8.87806003       4.61918001       0.40858374      -0.00465214      -0.18790400
K       11.62489997       6.92829999       8.75496002      -0.49177463       1.17124332       0.70886638
K        1.90931996       1.49855997       9.72226996       0.22581365      -0.47447601       0.81581034
K        7.45888996       3.06812995       2.04793995      -1.07505914       0.38494033       0.50383367
K        3.14647995       5.88714000       0.89680199       0.06089150       0.01175636       0.19864914
K        5.87357995       2.11223998       6.64314002      -0.55744207       0.27645044      -0.61381624
K        9.93140002       7.26867000       1.48994000      -0.89817982       1.10858410      -0.93500393
Li       8.98274998       4.56975002       7.61552003       2.71661440       2.44244215      -1.37649254
Li       2.09845999       3.95251999       7.96306003      -1.10543723       1.59985371       0.98616799
Li       5.93885005      10.80599998       7.87976005       0.21445617       0.40205594       0.20229517
Li       6.16873005       5.33385995       4.79000005      -0.17864255       0.02947464       0.00821708
Li      10.64549997       4.76857005       4.16956004       0.15391031       1.73808364       1.61147599
Li       5.59500997       8.57686002       4.89363999       0.30682573      -0.17642291      -0.60628649
Li      10.65600004       1.17147002       7.34877000       0.41316724      -0.96828077      -1.17204893
Li      10.93129999       4.07944000       1.53964998       1.57105107       2.07422027      -3.41756958
Li       2.47269998      10.33730000       2.56558000       0.63984251       0.72801940      -0.45666786
Li       4.85184000       0.85012103       3.34646998       0.08894417      -1.25025760      -0.67319562
Li       2.42602997       4.04342006       4.10555000       0.10493333      -1.15320012      -0.50878401
Li       9.37377002       2.55347005       9.73082000      -2.14776478       0.59309380      -0.39368645
Li      10.19949996       1.07453005       1.39584996       1.49868978       1.77065424      -0.98881385
Li       6.79512001       9.25920003      11.35439999       1.61946869       1.49151483       1.20222545
Li       8.74828996       8.86845998       8.15031996      -0.18437909       0.30427262      -1.46969133
Li       6.09727004       1.87203995      10.67479994      -0.22509381       0.47787688       0.02841834
Li       9.43472997       0.97367705       4.39498999       0.63187017      -0.02589722       0.00873639
Li       6.90736002      10.43900002       2.91440997      -0.05866640       0.69614871      -0.11992565
Li      10.48499997      10.67539995      10.65909994      -0.39386050       0.00371070      -0.38371140
Li       3.71537004       6.73569000       6.52635001      -1.46272338       1.21922680      -0.16897180
60
Lattice="11.77414789 0.0 0.0 0.0 11.77414789 0.0 0.0 0.0 11.77414789" Properties=species:S:1:pos:R:3:forces:R:3 energy=-468.73201101 stress="-0.019595436640639317 0.0010983125437951716 -0.002025966855251718 0.0010983125437951716 -0.019062392200399285 -0.0005465451365547725 -0.002025966855251718 -0.0005465451365547725 -0.0118642408853205" free_energy=-468.73201101 pbc="T T T" config_type=melt 
Cl       5.21129002      10.44759998      10.63180005      -0.83873646      -0.63449495       0.29163382
Cl      10.49909998       3.68462998       6.24193004      -0.23418759      -0.07199363      -0.45871864
Cl       6.94483996       4.68686005      11.21179999       0.37064261      -0.37873153       0.30551979
Cl       6.74587994       2.79187005       4.03125995      -0.23874517       0.24663834      -0.72044064
Cl       9.88508005       7.13044998       9.70861996       0.51402439       0.84568820      -0.46934471
Cl       0.20051397      11.65599997       9.46110005      -0.42055314       0.62155060      -0.53846278
Cl       9.81539005       3.73342005       9.63211001       1.41976497      -1.58659448       0.39833905
Cl       7.67244003       2.10711999       6.76754001       0.11238694       0.03387892       1.94169499
Cl      10.83950002       5.74753004       2.75737003       0.62964627      -0.18845003       0.00767318
Cl       0.72429695       2.03667997       2.26034004      -0.08740403       0.44120353      -0.16612234
Cl       5.64836004       0.01827159       2.01737002       3.08632395      -0.79876161      -2.26940003
Cl       5.82166997       1.03372003       9.08708000       0.11122846       1.04473011       1.08897718
Cl       4.95701999       5.78099994       8.20882994       1.19672776      -0.34184949      -0.62023837
Cl      11.04249999      10.49710003       2.12237999      -0.48197657      -0.45071179      -0.68275844
Cl       1.31892003       0.84299002       5.74684997       0.45780022       3.72732901       1.38381009
Cl       6.68667999       6.66217999       5.39026001       0.79805176      -0.20819669      -0.79997671
Cl       4.51772995       7.27621005       0.05714206      -0.26148360       0.90358370       0.33139018
Cl       9.39009994       0.02543487       4.25089997      -0.18648792       0.97695554       0.47665074
Cl       2.45619004      10.27109997       2.53822006       0.32650514      -0.83229908      -0.26000059
Cl       3.92953002       9.22487003       7.12152000      -0.40213192       1.89009302       1.30430032
Cl       8.41448003       7.94431005       1.04181004       0.48851846      -0.61428607       1.02084174
Cl       8.72173996      11.01220004       9.73030005       0.22734199       0.62506915       0.04097691
Cl       1.46345005       4.21288996       7.46851002       3.08655845      -1.19684015       0.68467997
Cl       3.04989002       4.81927000       3.02604997       0.33762133      -0.43325645      -0.06165005
Cl       2.66058995       7.00028996       5.61057998      -0.13973660      -0.81473641      -0.66640096
Cl       2.69858995       0.49904396      11.59349996      -0.16634996       0.75052460       0.27533541
Cl       6.90327004      10.60149998       5.75385994      -1.48969577      -5.85954685       1.47819791
Cl       1.66009998       8.96347994      10.53420001      -1.91499787      -0.69435479      -0.26689955
Cl       3.21789004       4.17043003      11.04520003      -1.94074551      -1.20123612      -0.96305007
Cl      10.98170005       8.01658001       6.34950996      -0.77180316      -2.04741605      -0.87306939
K        3.86512001       0.84007697       3.40078000      -2.30884716       1.59758958       1.77521884
K        7.26521994       8.73537996      10.47700002      -0.20084222      -1.13753427      -0.43103888
K        1.75447002       7.25171994       1.88656995       0.03906520       0.17421908       0.23172988
K        0.94094798      10.40920001       5.00745997      -0.49615421      -4.16279445      -1.24861321
K        8.08213999       5.16466003       8.24778000      -1.33143458       0.35390727      -1.17748902
K        0.85588000       8.95147996       7.81640996       2.51926811       1.20355804       1.44374763
K        9.02053004       8.84582995       5.03372998      -1.08269632       0.30280008      -1.26597032
K        8.69851004       0.56112304       0.90630196      -0.05738501      -0.37411490       0.61379829
K        4.31840999       2.70581999       7.73184002      -0.77063626       0.97636259      -0.60740194
K        6.43685000       9.02716996       2.87397001      -0.61319696       0.12896250      -0.06924253
Li       8.75600003       5.73275996       2.29804004      -0.52643469       0.35862026      -0.20590789
Li       0.94011696      11.04780000       0.88642603       0.90126184       0.45198311      -0.11992109
Li       3.18610997       6.17678003       9.11725997      -0.84845269      -0.07239304       0.44939295
Li       4.73565000       5.21963000      11.63230002       2.02230140       0.45885764       0.63923527
Li       6.59669995      11.13320001       8.07445995       0.25744478      -0.51168227      -0.13410647
Li       5.20542001       7.86387001       6.27625004      -0.57636100      -0.29984141       0.27065163
Li      11.57290003       5.09897995       7.49764998      -2.23888708       1.42077451      -0.04990288
Li      11.74660003       1.76108002       7.84352994       0.62457672       0.13098864      -0.59673558
Li      11.33800001       0.69268395       3.41129997      -0.05428190      -0.25151528       0.22158804
Li       4.81760996       5.32176002       5.00595994      -0.47821466       0.07715061      -0.29351537
Li       9.74036000       5.40239998      10.88750004      -0.46082694       0.09000120       1.13968544
Li       1.73090995       3.13735004       0.65261005       0.44734286      -0.24838652      -0.04560564
Li       9.47270995       1.55691995       9.59751003      -0.28134539      -0.79422002      -0.50157333
Li      11.00840005       9.00443996      10.53019998      -0.21444733       0.37438533       0.12178989
Li       3.37931997       9.20404003      11.43320000       2.37185972       0.33751458       1.33695358
Li       9.09922998       2.33625998       5.19827005      -0.24391402      -0.00919373      -0.61731738
Li       1.18990999       4.75901003       4.31247994      -0.16074028       0.18241448       0.26569679
Li       5.71600994       1.66269995      11.41050004      -0.67090803      -0.37523059      -0.10046221
Li       3.21261004      11.11910000       9.81748997       0.04012038       0.15012848      -0.44637060
Li       7.08505005       0.53357895       5.46041003       0.80465830       5.71319992      -1.81180189
60
Lattice="11.77414789 0.0 0.0 0.0 11.77414789 0.0 0.0 0.0 11.77414789" Properties=species:S:1:pos:R:3:forces:R:3 energy=-471.65335574 stress="-0.006873105285047485 -0.0007846970200902335 0.0017720853638360618 -0.0007846970200902335 -0.014745992516232827 0.006672353123379193 0.0017720853638360618 0.006672353123379193 -0.021461095121230223" free_energy=-471.65335574 pbc="T T T" config_type=melt 
Cl       5.51386996       3.18015001       7.86059998      -0.40317108      -1.20117546      -0.69064615
Cl       3.75145004       9.29820001       3.58721998       0.43890770       0.74996362      -0.04015021
Cl       8.46524003      10.51459994       1.47478997      -0.66372296       0.05625486       0.41617998
Cl       9.78189001       4.08139004       7.03810004       0.06295431      -0.55115680      -0.76686105
Cl       9.52639995       6.99136998       1.38251997      -0.64323199      -0.50163005       0.59462188
Cl       0.27352700       3.50238996       0.87873397       0.94774699      -0.96583600       1.68402353
Cl       3.62019996       3.59757005      10.61659997       0.59681785       1.21470771       0.02094384
Cl      10.87539998       9.95453999      10.55629997       1.08892562      -0.66790872      -0.13637950
Cl       2.07897001       1.59082996       8.54024995      -1.14980960      -0.38270128      -0.06488526
Cl       2.06475001       9.52644999       7.28224995      -0.00606548      -0.10504097       0.28071801
Cl       4.69783002       9.33996997      11.68209996       1.79701938       1.12823787       0.03600590
Cl      10.96619997       8.25308002       5.67531001      -0.06809406      -1.33516274       1.41081220
Cl       6.56853996       4.99984999      10.74849998      -0.57087957       0.76797406      -0.75801598
Cl       5.52088005       2.17815001       2.73116996       1.18879952       0.12357220       0.05372893
Cl       8.03686003       2.23289003       0.18237802      -0.17565237      -0.04270665       0.42708064
Cl       0.54894304       0.64159804       3.58368998      -0.25355516       0.52503822      -2.29692591
Cl       4.53047005       6.19906002       1.57929000       0.60142071       0.25380635      -0.60201673
Cl       7.28842997      10.93699997       4.76600999      -0.32342484       0.40713930      -1.57622010
Cl       2.45812006       3.96160998       6.42357995      -1.70922098       3.11284987      -1.50663631
Cl       9.35797995       0.18075295       7.88972004      -0.45484253      -0.30988797      -0.36283888
Cl       5.65461000       6.25746003       5.65764996       0.15025596      -0.07400023      -0.23221536
Cl       7.78254998       6.96911001       8.56846999       0.21523347       0.00730692      -0.44936253
Cl       3.52208999       1.36201000       5.18226003       0.02121948      -1.60797371      -1.80884801
Cl       3.10962004       1.28983000       0.83656298       0.74322684       0.81330845      -3.11664148
Cl       1.53436998       8.20207994       0.96856495      -2.84885992       0.51450392       1.38220739
Cl       9.41907000       2.87230997       3.25571002      -0.67513553      -0.24023357       0.28949460
Cl       5.54921995      10.20759999       8.20289000       0.86299349       1.22668986      -0.14596843
Cl       0.11918605       6.52605000      10.54499997       0.23424097      -0.41985012      -2.62093485
Cl       3.40114994       7.26912001       9.20132997      -1.31312255      -1.40363996       1.19104068
Cl      10.51940003       3.35985000      10.01979997       0.08530381      -0.26040110      -0.21479572
K        3.32734005      11.48430004      10.18830004      -0.11453428      -0.93916687      -0.27290529
K       10.49879998       0.51298196       0.24922103       0.16333846       0.83644286       0.17056480
K        2.13222000       7.26900003       5.27004996       0.24494883       0.07071443       0.10075251
K        0.68588403       0.00072611       6.02085005       0.33893126      -0.61507458       2.27139335
K        7.22076005       2.41605997       5.66816004       0.33559915       0.12172979      -0.35695788
K        8.23388003       9.36564998      10.25750000      -0.85953631      -0.10853103      -0.05826562
K        3.48712995       4.18651999       3.17854002      -0.22293482      -0.50189068       0.53818035
K       10.71079999       9.73186001       3.62046005      -0.30376846       0.79375772      -1.67561483
K        5.95896995       1.71258996      10.05429999       0.07633441      -0.42016103       0.69134108
K        1.44018999       4.48462999       8.98718000      -0.13509062      -0.06102131      -0.32163566
Li       2.62291998       0.55842005       2.42170003      -1.01195635      -1.74909578       3.85844186
Li       6.07480002       9.90030002       2.03769997      -0.37230678       0.05717356      -0.14479433
Li       7.60604997      10.76929996       6.74543994       0.14432470      -0.29311659       1.67999233
Li       1.91696998       2.62234999      11.35180002      -0.46451543      -0.14522363       0.18264097
Li       1.01631996       7.81301005       9.24788001       0.86070707       1.77319207      -0.95729628
Li       4.87245006       8.22462002       8.26070001       1.13210983       0.24138188      -1.06998841
Li      11.54329994       2.87775999       3.55184997       0.14301988      -0.15485163      -0.31392197
Li       4.47356006       6.11969002      10.90770000       0.29799378      -0.83269507       0.08704560
Li      10.99300005       1.56381995       8.23508994      -0.00509726       1.00696862       0.59457436
Li       9.84177003       6.12192004       7.59463999      -0.55717664       0.65982558      -0.02255847
Li       3.51294995       2.41884998       6.82280998       1.16758071      -0.69140182       2.24990912
Li      11.35520004       5.23447002       0.09025214      -1.31646996      -1.11124081       1.16728095
Li       3.29156995       7.97819004       0.33652905       1.49466626      -0.95433221      -0.01394909
Li       7.78027003       6.83503002       3.32998005       0.08575042      -0.10757519       0.13470995
Li       8.00974005       0.96850597       2.78315000      -0.36029164       0.19470953      -0.40119829
Li       6.49556002       4.42956996       0.95675501      -0.54393859      -0.85252384       1.08328576
Li       6.05669997       5.09541003       7.71467001       0.67460678       1.96889432      -0.28778853
Li       8.46376002       4.14765000      10.84059996       1.13341890      -0.58407463      -0.38057258
Li      11.18380000       7.71634995       0.18800006      -0.14230234       2.25925454       0.93396890
Li       4.25710000      11.11180003       4.90998003       0.34031155      -0.69411608       0.13685023
60
Lattice="11.77414789 0.0 0.0 0.0 11.77414789 0.0 0.0 0.0 11.77414789" Properties=species:S:1:pos:R:3:forces:R:3 energy=-468.74327247 stress="-0.014885869185939878 6.822156719864178e-07 -0.00041370734748896417 6.822156719864178e-07 -0.01972139822151623 0.00046013539358219556 -0.00041370734748896417 0.00046013539358219556 -0.023767465999463923" free_energy=-468.74327247 pbc="T T T" config_type=melt 
Cl       0.08619336       2.82922000       8.09377002       1.63257876       0.12183097       0.24450608
Cl       9.62786002       9.67250005       6.34111005       0.61494156      -0.74796852       0.81034316
Cl       5.92913002       0.33877297      11.43970004       0.34792854      -0.01086877       0.86217295
Cl       0.66503001       8.00671998      10.00349996      -1.48620725       2.42450303      -0.18342103
Cl       3.21791995       0.18631306       8.37214997      -0.46298656       0.07146583       0.53200970
Cl       1.83124005       8.44227998       1.44012005       2.85732391      -0.85180769      -2.74145417
Cl      11.52779998       6.39738000       4.56842001       0.66038481       1.56144436      -0.34832791
Cl       7.22747002       9.18426994       9.39584996      -0.60388435       0.02324129      -0.83654782
Cl      10.40630003       3.49768995       4.00588996      -0.36712021      -1.16798278       1.31629093
Cl       5.62810003       7.81170995       0.55441601      -1.79476567      -0.44447778      -4.25462158
Cl       6.43046005       5.89984996       9.00686002      -1.23633473       0.41193053       0.96697837
Cl       1.83181004       3.43821002       3.37890999       0.37590502      -0.07176889       0.15483372
Cl       5.30848996      11.13709997       6.29075002       3.26137904       2.31727198      -2.72347000
Cl       7.52712997       3.82326998      11.05569998       1.04408269      -0.48013949       0.62530719
Cl       4.23159001       4.33325001       0.43726195      -0.25106686      -0.09210231      -0.83446089
Cl       2.07615999       5.93304999       7.29362001       0.29921412      -0.13697378       0.70223547
Cl      10.63750003       0.99199904      11.65900002      -0.96332768      -0.92916487      -0.13132085
Cl       5.06375994       0.77117195       3.68527002      -0.40156449       0.27405656      -1.60983382
Cl       3.48578005       8.80667996       7.12657005      -1.41909499       0.96947669       0.60296785
Cl      10.88790001       4.37459999       1.05349000       0.51690857      -0.24599729      -2.52224827
Cl       4.94511998       4.13638002       4.61324996      -1.86323672      -2.58288792      -4.76419916
Cl       8.94841998       7.35193995       1.93733996      -0.15040364       0.32066886      -0.26382002
Cl       7.44287005      10.10820004       3.54420996       0.37121627      -0.81700831       0.48910391
Cl       1.68041004       0.16520695       4.75749999      -0.48349816      -0.77280233       0.26407557
Cl       2.64892001       1.10188999       0.89157097       1.42814007      -1.46166271       0.41074006
Cl       8.75702002       6.25839996       6.15613995       0.23191430      -0.02550925       0.02655976
Cl       7.46604004       4.12120997       2.73010005      -0.64943906      -0.96390518      -1.43255348
Cl       8.44405999       1.03900003       6.05927003       0.74661762      -0.50536156      -0.12977559
Cl       6.59103000       3.26915998       7.47685001      -0.91319552      -0.95042582       0.01690078
Cl       5.53551002       6.96465997       5.96651000       0.66802736       2.16473734      -0.55447018
K        1.68757001       5.89443997      10.80650002       0.83348495      -1.99743844       0.83814015
K       11.59819997       0.04225212       8.06504004       0.25074636      -0.40259481       0.21092044
K        3.86442004      10.10290002      10.76980001      -0.33533564      -0.05545210       0.52086870
K        9.43354996       9.60060004      11.05520005       0.57088741      -0.13193994       0.72020691
K        7.24394005       0.27548798       8.94924994       0.38262700       0.74821818      -0.46027321
K        3.49007997       2.29944999       6.05998001      -0.39529878      -0.02358876       0.38640424
K        2.92128996       5.95097001       2.36557996       0.32065036      -0.16165971       0.79861492
K        1.17196995       2.46128000      11.21939996      -1.05284515       1.52275897      -1.24079768
K        9.51347994       3.39416999       7.18951005      -1.52357360       0.89536735      -0.39361071
K        0.22326999       9.10587001       3.00241996      -3.13134460       0.86314086       2.77009965
Li       9.10196005       2.98313002       1.24891001      -0.17237512       0.38680481      -0.20074359
Li       0.26035902       5.26557001       6.26192996       0.14811792      -0.48850270       0.14634645
Li       7.24162996       6.12507998      11.55060003      -0.17925521      -0.27518942       0.12865726
Li       3.47214005      10.64209995       5.82149995      -1.79650179      -0.23975414      -0.24723458
Li      11.17479996       5.24314003       2.80510996       0.02018853       0.27346084       1.01974391
Li       6.20893994       8.02290002       2.22798998       2.35883841       0.50999534       4.37892504
Li       4.40400004       7.12721998       7.96002995       0.72903962      -1.21192669      -0.01093448
Li       7.91251997       8.53771003       5.26482000      -0.02529795      -0.32467799      -0.10144461
Li       6.36626999       1.34987003       5.37216997       0.13912789       0.33223347       0.15798320
Li       5.50083998       4.99620000       6.01864004       2.02947648       1.01147906       4.54529403
Li       6.92877002      11.37019995       2.00597994      -0.86049992       0.91096700      -0.85714340
Li       7.79256001       7.04484004       7.93345994      -0.07972824       0.61673165      -0.05593042
Li       4.97500995       2.67682003       1.80187003      -0.00369903       0.01134712       0.28992954
Li       5.19384002      10.27970004       7.89948999      -0.63615208      -2.05950265       3.13837778
Li       5.85531000       3.31391999       9.84126998      -0.21453791       0.45121164      -0.20931383
Li       8.40390002       5.00683994       4.28885005       0.72586962       0.33911068       0.47102612
Li       0.52787697       2.10620997       4.42805003      -0.49586081       0.59354727      -0.35150406
Li       2.80930003       0.29834396       2.75329006       0.48039770       0.09163432       0.75784764
Li       1.36529004       8.03957998       8.08016994       0.56796301      -0.27849226      -1.21006036
Li       9.79955005      11.30359996       5.12377996      -0.66554617       0.69089886      -0.63489579
60
Lattice="11.77414789 0.0 0.0 0.0 11.77414789 0.0 0.0 0.0 11.77414789" Properties=species:S:1:pos:R:3:forces:R:3 energy=-470.3616252 stress="-0.019701006243768054 0.0010226932591126223 0.0032560605755157955 0.0010226932591126223 -0.019612485535027976 -0.005140901672805136 0.0032560605755157955 -0.005140901672805136 -0.018043639755250633" free_energy=-470.3616252 pbc="T T T" config_type=melt 
Cl       6.11734001       6.83017000       4.12612002      -0.25646763      -1.01318550      -0.89554381
Cl       5.59755000       9.67120996      11.32209997      -1.28778300       0.10218659      -0.95128775
Cl       7.54548999       0.15079198       2.35106997      -0.73223862       0.47061769      -0.47722164
Cl       3.24779002       3.91311003       2.59596001       0.47529431       0.35368678      -0.05980683
Cl       0.54355001       3.60732999       8.81330998      -1.36881894       0.05334564      -0.05548124
Cl      10.42059997       7.70329996       9.55241999      -1.13237268      -1.67832031      -2.50223416
Cl       6.19621998       4.42799999       0.09064657       0.18117044       0.28798134       0.97951204
Cl       7.02802997       5.91063001       8.30382000       1.60261442      -1.13086588      -0.03506860
Cl       6.39598994       2.34467002       4.35350001      -0.61877432       0.89242856       0.43443579
Cl       1.21240002       7.97769000       6.81498995       1.81166670       4.43016671      -2.08903702
Cl       1.73045005      10.51959995       8.95344001      -2.49503946       1.77363659       2.79855133
Cl       4.57838000       1.87749997      11.35729996      -0.24531057      -1.69932265       2.21436304
Cl       3.71843003       3.79175000       9.63553994      -3.58228306       1.77892437      -2.18938675
Cl       7.71542003       1.55955006      10.58100001       0.58234623       0.08627132       0.13193849
Cl       0.67349197       6.12267994       2.97742003      -0.24459015      -0.43625395       1.40907638
Cl       2.78860002       5.24653004       5.88646004       0.96378332      -0.11216241       0.36562330
Cl      10.56940001       0.26311700       2.40767996       0.62379508       2.38638008       1.26891055
Cl      10.18909997       5.23961002       0.25850295      -1.10889099       0.46393495       0.38159500
Cl       5.21658002       8.84817995       7.72914998      -0.45640045       0.60347758      -1.56371832
Cl       9.46166003      10.45859998       7.49040005       0.10826668       0.21578351      -0.41099610
Cl       2.03403998       2.04543005       5.15563998      -0.13093168       1.05426228       0.64409409
Cl       3.66509997      10.62740005       4.03003003      -0.27700179       0.22693055      -0.05735248
Cl       0.71838303       8.53506002       1.22464996      -1.42678592       1.17560767       0.06680004
Cl       0.85890796       2.38924000      11.66989994       0.15403324      -0.09850567       0.76860693
Cl      11.00600001       4.75165001       6.02050000      -0.89341929       0.30334537      -0.06327376
Cl       9.50419002       8.93536999       4.31348004       0.02355023       0.62205407      -0.31092375
Cl       5.12803996       0.30069302       7.85953995      -0.44796203       0.72824565       1.12795306
Cl       8.65097004       8.93763003       0.96365702       0.30752757      -0.32085525       0.03058451
Cl       1.70877996       6.54668997      10.71380004       0.10008069      -0.36002095       0.05567110
Cl      10.43029999      11.30109995      10.81090002       0.90385822      -0.52811546      -0.32330606
K        3.57695999       7.87486000       4.68231005      -0.45947006      -0.37070150       0.49184083
K        5.36276996       7.26547002       9.79721995      -1.37304905      -0.76104625       1.44154216
K        7.73604998       6.08237998       1.34566995       0.46652688       1.47168239       1.26820310
K        3.30659000       9.14702996       1.43971996       0.64645286       0.33358248      -0.26419329
K        0.42879998       0.08195207       5.37447005      -1.16379369      -1.57384513       0.01823626
K        6.10688999      11.15789994       5.53721998       0.10373558      -0.79353548      -1.17560882
K        7.77777003       7.68953998       6.09696002       0.31905894       0.18568226       0.96938115
K        8.22584005       9.57947004       9.99053003      -0.38226962       0.40826463      -0.61061106
K        7.73814001       1.12530995       7.21253004       0.64748515       0.61414276       0.62466094
K        9.32588998       3.18622006       3.85397001       0.30618602      -0.04742321      -0.02593520
Li      10.86400002      10.19120001       1.84830997      -0.11096854      -2.04276160      -0.76460578
Li       2.35932000       4.01547000       7.87772995       0.72635090      -0.00026405      -0.25707522
Li      11.63867089       4.30517997      11.04879998       1.51499714      -1.10490089      -1.67661623
Li      11.12609997       8.50886996      11.12717094       1.12688746       1.11369891       2.93465229
Li       5.47725000       3.68491998      10.13500000       2.99858778      -0.91373556      -0.22160908
Li       9.17505996       5.74430004       9.69022003      -0.25029540      -0.21442372      -0.09335319
Li       3.43281004       3.32142001       0.39990705      -0.97500138       0.69736264       0.07129873
Li       0.12465208       8.95367996       8.55138005      -0.01813940       0.76779324      -0.39137641
Li       9.60599001       0.96174301       0.44495400      -0.07792706      -0.08215430       0.00919755
Li       0.49751897       6.49866004       7.50574000      -1.99102839      -4.85268706       1.77740077
Li       1.03395998       4.33108003       4.90844998       0.34770701      -0.09181360      -0.63380044
Li      11.24799996       7.91478002       3.99737996       0.82159108      -0.89618201      -0.36314086
Li       3.77045999       2.42014996       4.15588001       0.72648360      -0.66605224      -0.72254514
Li       1.25643004       5.49229995       1.00936002       0.19722601       0.27207336      -0.27805560
Li       4.94424999       4.50729005       4.63376006       0.15090558       0.73495574      -0.12937290
Li       6.88456998       2.13222000       1.18452002      -0.71393861      -0.29395621      -0.48643615
Li       2.85616997       9.85043003       7.67748996       3.08434730      -1.54522678      -2.52135221
Li       5.68934997       0.65446001      10.38880000       0.84656592      -1.76869957      -1.58279157
Li       0.59695495       0.66065097       9.88828003      -0.08013464       0.35767067       0.43180199
Li       6.71051005      10.28139999       1.06999005       1.43200408       0.43084082       1.46718601
60
Lattice="11.77414789 0.0 0.0 0.0 11.77414789 0.0 0.0 0.0 11.77414789" Properties=species:S:1:pos:R:3:forces:R:3 energy=-470.42822342 stress="-0.018767366250161677 0.003792242778431136 -0.00012427808358642605 0.003792242778431136 -0.007110851632769001 -0.005350360877017236 -0.00012427808358642605 -0.005350360877017236 -0.016018180946358745" free_energy=-470.42822342 pbc="T T T" config_type=melt 
Cl       0.90469397      11.21010004       6.93267997       0.28918943       0.27655427       0.40306033
Cl       0.82801495       5.09856998       2.04531996      -0.49627967       0.40936056       0.11301845
Cl       4.43964003      10.73539995       2.95029004      -1.42991964       1.15363129       1.41395730
Cl       2.02673000       8.14730001       9.05323003      -1.33417188       1.48930719       0.08804275
Cl       3.13196996       1.86088995       8.77859002       0.22782134      -0.34638757      -0.38610482
Cl       9.51107001       6.45337996       4.34647002       0.24416625      -0.41799484       0.07311734
Cl       2.71154999       4.98178997      10.85089998      -0.28575644      -0.19954685      -2.06981206
Cl       7.60567002       4.80814001       6.67839005       1.07840358      -0.98689025      -0.95839256
Cl      10.98340000       8.81326995       0.46477401       0.06611369       0.78905155       0.67432603
Cl       4.16078005      11.73919998      11.35270004      -0.14247233      -0.76247969       0.00935496
Cl       3.15039003       7.61732995       1.71052996       0.32003265      -0.15664842      -0.27849940
Cl       4.49389001       2.73600996       5.00347996       0.60386046      -0.22352739       0.22045251
Cl       9.93462002       3.50662005      11.16270002       0.33794619      -0.33135820      -0.48590793
Cl      10.51210006       2.32682006       7.04953003       0.04734224       0.14497570      -0.10813075
Cl       7.35946999       9.64443001       5.55414002      -0.32692828      -0.75661719      -0.13208470
Cl       6.64160997       9.33572999       2.15696997      -0.45395875      -1.95558763      -1.92866151
Cl       0.79739604       1.66138996      11.65789996       0.13309978      -1.46270520      -0.73441825
Cl       0.39064197       9.48012001       3.15525005      -1.38301232       3.97352370       2.53218514
Cl       3.08093998       2.56766002       1.42501005       0.28727439       0.82160331       0.80319344
Cl       4.99156004       9.74638000       8.47247996      -0.92035043       0.44580648      -0.16509504
Cl      11.39130005       1.84719002       3.64248995      -0.82344405      -0.42073809       0.17816234
Cl       7.79940997      11.57929999      10.95239997       0.95252299       0.84798131      -1.00455561
Cl       5.80441001       6.41515001       3.98356994      -0.01227443      -1.76877201       0.41531880
Cl       4.86905003       5.12873004       7.67470997      -0.72710542       0.19876908       0.89380306
Cl       1.55555003       4.92649999       7.64871995      -0.14928636      -1.04162281      -1.75150505
Cl       6.87912997       6.52190998      10.20829996      -0.81784072       0.43705232       0.25683485
Cl       9.00011002       9.39581994       8.39075995       2.05770746       0.12008935       0.04786390
Cl      10.70149994       6.83629998       9.43993002       2.49482625      -2.93256725      -3.12242547
Cl       6.27356000       4.15266001       0.87962999      -0.23487392       0.30153976       0.08676291
Cl       7.37668003       1.35506996       2.91628995       0.13173131       0.43526786      -1.58153728
K       11.73796346       8.40873001       6.48810004      -0.18313672      -0.43199340       0.20325629
K        1.93636000       3.31391999       3.97857005       0.39424073       0.60108684       0.08544342
K        9.46256994       3.88644994       2.01934996      -0.39789630       0.37647889       0.77373887
K        8.96761997       9.68435002       2.87782004       2.71986920       0.02945088       0.78006416
K        8.89089997       5.07471002       9.01279996      -0.18015924      -1.21408598       0.35576204
K        7.89339004       0.66815098       5.33870996       0.35090618      -0.08712418       1.35288877
K        6.35173999       2.27243998       8.54779000      -0.23711049      -0.06652081       0.18306708
K       10.07659999       0.68304799       0.78855601      -0.34649227      -0.21707066       0.57151207
K        3.68665996       0.11112994       5.88565999       0.40193918      -0.77206690      -0.05061629
K       11.17259996       0.49358500       9.52387004      -0.64923654      -0.26411814      -0.66914813
Li       7.02402005       9.29443004       8.40804005      -0.97049295      -0.02550474       0.19977095
Li       2.62077002      10.48670004       9.74913998       0.91689353      -0.28292655      -0.21763419
Li       6.58808999      10.58090005       0.43226205      -1.14352766      -0.01444761       0.15528973
Li       1.09580005       7.85297999       2.69810003       1.30524590      -3.46876521      -1.49883695
Li      10.24289994       3.99565999       5.31830996      -0.18754393       0.25817462       0.33445319
Li       3.07488996       2.12566004      11.04289995      -0.25571074      -0.39755939      -0.02402238
Li       3.40478003       5.32313006       0.89946095       0.40027711       0.34583823       2.17614006
Li       3.51134996       6.83230996       9.14802004       1.22891542      -0.93434799      -0.50743714
Li       3.64792996       9.81558998       1.14925998      -0.11111668       0.09718837       0.07586735
Li       4.98321005       4.96797996       9.98479001       0.57006550       0.20570578       0.12077083
Li       7.53481002       7.03389997       6.47728996       0.06922893       0.45545621      -0.60178506
Li       5.95209997       4.43868998       5.30345004      -0.66243148       0.28050253      -0.06442634
Li       6.88970999       6.40299002       2.02213996      -0.24422718      -0.07262072      -0.47644894
Li       0.80680406       5.69708994       9.34829995      -0.11863833       0.66269106       1.07164592
Li       0.20339499       0.01495211       4.99435005      -0.30344950      -0.02013889      -0.89451469
Li       0.59264997       3.65746997       0.34319604      -0.13666380       0.98536659       0.02855518
Li      10.18900001       8.10068004      10.55979995      -2.18649037       3.35958778       1.87858756
Li       5.78171004       8.40057995       3.85356004      -0.51208373       2.00835591       0.53837134
Li       1.47748001       2.38771995       7.42936004      -0.43366809       0.77097802       0.22018750
Li       5.10885999       2.14640997       1.74671003       1.16813093      -0.24864086       0.39717411
60
Lattice="11.77414789 0.0 0.0 0.0 11.77414789 0.0 0.0 0.0 11.77414789" Properties=species:S:1:pos:R:3:forces:R:3 energy=-469.49641233 stress="-0.01618650115931089 -0.0019517103104641684 0.0028135241779705792 -0.0019517103104641684 -0.011118197556212898 -0.0011560853378793732 0.0028135241779705792 -0.0011560853378793732 -0.02639599690256571" free_energy=-469.49641233 pbc="T T T" config_type=melt 
Cl       1.78851002      10.63109995       1.16021994      -3.04034293      -1.37961455       2.02278766
Cl       9.60972995      10.89529994       4.25041005       1.31787782      -1.29112875      -1.79305495
Cl       5.05074998       9.43953994       2.29985997      -0.12337330      -0.00843914      -0.11267348
Cl      10.02009998       6.20590998      10.72529997       0.37160878       0.21213638      -0.53675529
Cl       4.95430005       9.49107998       5.66271002       0.62310564      -0.58701453       0.62024885
Cl       8.99609998       1.62160005      11.05889996       0.11668450      -0.01077695      -0.32550218
Cl       4.61039002       5.25554998       7.74136001      -1.46348397       0.09298703      -0.57845095
Cl       5.65896996       4.99026995       2.37993995      -2.67341565       0.66407644       0.87556240
Cl       1.68368996       5.28396995       0.98450103       1.77736187      -0.17752332      -2.66989329
Cl       7.06217994       8.59056995      11.09559998       0.13763998      -0.02655727       0.23495297
Cl       6.92921002       0.29755003       6.93806994       1.50619501       0.53758738      -0.58413324
Cl       8.41488000       4.15574001       7.61564001      -1.11831188      -1.68473177       2.27946534
Cl       1.08451005       5.38395001       8.37668996       0.21629697       0.34919481      -0.37150168
Cl      10.26400004      10.50970001       0.55467999      -1.14002499      -0.89415604      -0.99258060
Cl       9.61111000       9.41215998       6.81301001       0.38938274      -1.25470266       0.49836378
Cl       9.96386005       7.39858995       2.54906004       0.02562369       0.25009612       0.15666042
Cl       1.77051995       7.63327003       3.72266001      -0.48338671      -1.27820516      -0.01453940
Cl      10.93190000       1.21649001       6.72078005      -0.41633110       0.02264767       0.19022162
Cl       2.80365998       1.90707004       2.97873002      -2.15573426       0.00413695      -2.82504243
Cl       8.29837999       4.50642995       4.79734995      -0.16498898       0.03303920      -1.40567376
Cl       3.95055994       0.28665505       8.33105996      -2.31759725       0.99823352       4.06368949
Cl       5.02151995       4.68274004      10.90369997       0.18596091      -0.23630520       0.48607700
Cl       2.91892995       7.84446999      10.36719997       0.50855835       0.56842035       0.46176352
Cl       1.46169005      10.64530005       4.54501995      -0.16972381       0.56927980       0.08123286
Cl       1.46043999       9.07704996       7.89950000      -1.14173177       0.91138636      -0.05687100
Cl       0.32605500       3.63756000       4.70038996      -0.06709948       1.16998498       0.27729297
Cl       3.11212005       1.60640999       5.92128997      -0.33467407       0.95403144       0.42735024
Cl       1.93747995       1.98010001      11.24489994       0.74069676      -0.15452606      -0.18285210
Cl       5.23422005       1.16159999       0.57847295       1.40859487       1.11074759       0.53106376
Cl      11.38719994       2.85015997       1.51021002      -4.31153225      -1.25312925       0.29022967
K        4.96827996       5.25455000       5.05055006       0.05115817       0.05966028      -0.36391344
K        7.83761001      10.90369997       2.23659005      -1.14764576       0.07519404      -1.23139350
K        6.29432006       6.30923001       9.38495005       1.98544151       1.26936209      -0.31502806
K        9.83061002       6.22351999       7.27418996       1.43787440       1.09161490      -0.24120334
K        3.43484002      11.33969997      11.39309996       2.01156071      -0.27545917      -3.31605239
K        7.81284003       4.46139995       1.39801004       2.86524724      -0.80185481      -0.98169797
K        6.66579996       1.95874995       9.44538004      -0.57238446       0.38928055      -0.11994596
K        0.00812004       3.37849001      10.04909994      -1.41034100       0.52450992       0.16244557
K        7.84547997       8.09783999       5.07381000      -0.45471018      -0.18147775      -0.81825813
K        8.60509996      10.42219996       9.03311001      -0.44524129       0.65831446       1.17815991
Li       2.66694999       7.37155003       7.53242999       0.41013211      -0.85418122       0.20427437
Li       1.52447004      11.49739996       8.03943999       0.63756250      -0.11734549      -0.63689482
Li       8.95897998       2.62707001       6.07075995       0.28123032       1.42890104       0.55245457
Li       9.37825997       7.66506000       0.43428403      -0.34136459       0.40902914       0.00291392
Li       1.42051998       3.16836998       1.53691002       3.42817421       0.15699447      -0.12399965
Li       4.20321997       2.21972994       4.19305005       1.87203664       0.35763357       1.59133520
Li      11.35584986       9.63960002       5.49914003       0.72778597       0.28129377      -0.31741943
Li       0.54315216       7.64885995      10.10709998       0.18452029      -0.33590028      -0.19817186
Li       3.36728997       8.84947004       4.40054998      -0.29363980       0.56366686      -0.61775863
Li       1.25569003       3.33156002       6.73359997       0.31647403      -0.12848466      -0.39695836
Li      11.52526984       9.75331003       1.96903997       1.20095096      -0.59699044       1.23612803
Li       4.00824997       3.17848998       0.04314224      -0.58013760      -1.39995415       0.94194723
Li      10.85149999       0.60067099      11.61950988       0.53292886       1.09371081       0.43244548
Li       0.42567301       1.65443003       3.90238001       0.35960781      -0.55594921      -0.15652953
Li       3.16654004       5.76323004      10.37080004      -0.44692980      -0.84152699      -0.09620042
Li       3.10505002      11.49540000       2.69182006      -0.02403936      -0.49672085       0.39401670
Li       5.05239000       7.94054998       0.47296104      -0.11702759       0.19111962       0.30836310
Li       8.89844002       0.49636499       5.36489002      -0.69934297       0.55048503       1.93192381
Li       0.70872800       5.73267001       2.56600999      -1.36957695       0.91798138       2.49580936
Li       4.97807005      11.18380000       7.09764002       1.39586013      -1.64408226      -2.54822999
60
Lattice="11.77414789 0.0 0.0 0.0 11.77414789 0.0 0.0 0.0 11.77414789" Properties=species:S:1:pos:R:3:forces:R:3 energy=-470.79351042 stress="-0.01689483361483838 -0.008548738049342532 -0.007019595932179015 -0.008548738049342532 -0.02251923885394396 -0.0012699243476565402 -0.007019595932179015 -0.0012699243476565402 -0.021688279786937208" free_energy=-470.79351042 pbc="T T T" config_type=melt 
Cl       2.40242999       2.09126999       8.42099997       0.11400150       0.27806922       0.45358865
Cl       8.89522002      10.40429996      11.15300001      -2.29552644       3.64382514      -0.52734855
Cl       9.65562004       2.92900002       5.98316995      -1.75844876      -0.14983223      -2.79079201
Cl       5.34062997       6.37772000       8.81281994      -0.37497942      -2.69532650       2.00453943
Cl       0.63916103       1.15278998       4.05836004       0.21053727      -1.14025066      -0.12341232
Cl       0.37526305       8.96718997       3.85557000       0.43876288       0.44655519       0.76849457
Cl       0.12723203       9.12670001       0.30856003       1.03485167       0.05451104       0.34023740
Cl       7.27053997       8.81150995       7.37991003      -0.23086426      -1.76746384       0.05096120
Cl       6.51124001       1.92715002       3.29502001       0.21370565       0.26211933       0.26661686
Cl       6.44776004       5.40496003       0.61508596      -0.14311814       0.69415021       1.37376408
Cl       0.62350495       5.48356000       8.51805003      -0.12131810      -2.34554361      -3.93187310
Cl       2.44218999       6.29842994      11.13829999      -0.91477320      -1.19701788       0.18659636
Cl       0.04525205       4.48148995      11.32299998      -0.84651317      -0.97513824       0.28301111
Cl       2.91378005       0.18368495       0.17965501       0.26291377       1.38726192       0.35988019
Cl       3.39788003       2.99935997       3.89871001      -1.54114414      -3.36169225       0.03223407
Cl       5.56665005      10.38710005       4.09846997      -0.96166724       0.42129228       0.34375942
Cl       6.50913997       6.95404004       4.52461994       0.76772639      -0.10255567       0.12996640
Cl       4.81500999       8.87741998      10.75090003       0.24163331       1.15732491       0.01011055
Cl      10.16450001       7.93365998       9.34901994       0.50224218       1.67349522      -1.14395342
Cl       9.43389000       7.81061001       2.18691999      -2.06035287      -3.04296279      -2.14253479
Cl       3.61198996       8.16418002       6.46411999      -0.68004000       0.04270612      -1.19817612
Cl       9.69204996       2.34960998       2.25251000       0.37913775      -0.42767174      -0.22957916
Cl       1.89979997       9.63832005       9.13190995      -0.34274553      -0.03058669      -0.13725208
Cl       5.55122003       2.85686005      10.65610000      -0.52985709      -0.44876756      -0.48358665
Cl       8.81661004       4.63979996       9.13368996      -1.31216410       0.31425577       1.18943004
Cl       3.21063999       7.55481994       2.25120000      -0.08856979      -0.02583261       0.67749754
Cl       5.93620005       0.07491926       7.54642003      -0.66188930      -0.28854187       0.40361393
Cl      11.12810004       0.10746594       7.91995005      -0.18028157       1.19786560      -1.32566233
Cl       8.82147995      10.90869998       4.33673998       1.66876173       0.17693697       0.15240496
Cl      11.68000004       4.86648998       2.79756003       0.17562887       0.02573916       0.79360874
K        1.47896002       2.97799001       5.98740005      -0.84736675       0.90837015      -0.01512699
K        8.53217995      10.82030003       8.30168005       0.40118304       1.10342223       0.90731664
K        6.02871000       2.45522997       6.41815995       0.34658446       0.76945289       0.00973696
K        8.36759997       5.02314996       2.78644005       0.41532540       0.15554917       0.13167233
K        3.47488001       3.27323996       1.23096997       0.05949302       0.22015159      -1.27258923
K       10.76730000       3.13073003       8.14632005       1.89110735      -0.72849704       2.70193777
K        9.46221000       6.09113005       6.84537997       0.00974244       0.58554270      -0.33179806
K        6.02743003       8.52956998       2.00241002       0.10020336      -0.53829717      -0.77297541
K        4.66765006       4.87357001       4.62580002       1.52558175       3.45616958       0.92336563
K        8.18838001       1.94918004      11.73769996      -0.32184741      -0.05721094      -0.69422833
Li       4.25712002       6.92092996      11.28390004       1.94475550       0.41840393       0.24552404
Li       2.05751998      10.18490002      11.28200005      -0.02870923      -0.98086401       0.13334578
Li       5.44430994       7.60154000       7.41980002       0.85269438       1.44568315      -2.49342021
Li       0.58094505       6.81837996       2.10910005       0.35910869       0.42700431      -0.26773685
Li       0.90718797       6.79442004       9.78814997       0.05231885       2.81164037       1.94131660
Li       2.85362004       8.85242994       4.17398994       0.10015620      -0.58527462      -0.02890125
Li       0.01109184       1.53521996       1.91463999      -0.02164480       0.36153862      -0.04281442
Li      11.41590001      10.97670004       4.84720004       0.06862307       0.13746218       0.22156657
Li       9.93188995       6.43651997      10.57690002      -0.18675086      -2.51410990       0.88961214
Li       4.03741995       1.21743005       9.57910998       0.52276169      -0.30317820       0.52145699
Li       9.84594997       8.94761004      11.72810002       1.30564004      -2.66502695       0.93471922
Li       1.93624002       4.04663004       9.99045997      -0.36169250       0.47805536      -0.20440900
Li      10.16649997       9.24758000       3.02343999       1.33928017       2.90480864       1.38045958
Li       8.75517996       1.83844995       4.12669001       0.16026927      -0.00932906       0.42459438
Li       7.17247003      11.55075486       3.17709003      -0.70322724       0.37534880      -0.46681711
Li      11.68910004      10.33380001       9.02642995      -0.10267712      -1.31230066       1.06106345
Li       3.47274995       0.62125597       4.37193998       0.13616917       0.04303204      -0.45451694
Li       3.77899000       9.14732996       8.35163999       0.62565307       0.23546681       0.84680413
Li       7.46161002       9.68330001       5.53008001      -0.99074842      -0.21345137      -0.74647312
Li       6.26370998       5.15714000      10.37800005       0.38236356      -0.70648655      -1.26883022
60
Lattice="11.77414789 0.0 0.0 0.0 11.77414789 0.0 0.0 0.0 11.77414789" Properties=species:S:1:pos:R:3:forces:R:3 energy=-471.61483686 stress="-0.008642001649659822 -0.003487813638929364 -0.0015122451660730162 -0.003487813638929364 -0.02535743320216098 -0.007061720838462007 -0.0015122451660730162 -0.007061720838462007 -0.012135263064999532" free_energy=-471.61483686 pbc="T T T" config_type=melt 
Cl       3.83448003       0.24644398       8.78677000      -1.14659988      -0.04109182       0.14421752
Cl       9.53915006       0.72247302       2.01170995      -0.31770127       0.45713492      -0.10019788
Cl       4.90687001       4.66983004       6.02198001      -0.14884505       0.33986759      -0.40861165
Cl       2.58793004       3.45961000      10.17230003      -1.92837248      -1.45907521      -0.19160986
Cl       1.44865995       3.72967999       6.91324003      -0.06829968      -0.13492286      -0.36280047
Cl       0.53534601       7.02126996       9.14464004      -0.09795777      -0.12682852       0.66897816
Cl       1.45851998       9.89216998       7.44007004      -0.35345346      -2.18438437       1.05789143
Cl       7.88492996       5.55933995       4.01141003      -0.45272342       4.37128555       2.16302300
Cl      10.31689999       1.93103996      10.05100005      -1.89686829      -0.30739936       0.55966817
Cl       6.07451002       2.24149999       7.87197004       0.72218969       2.04187076      -4.12075339
Cl       3.09545998       3.94136999       1.78479999      -0.11989704       0.23985670       0.30199121
Cl       2.13343003       6.79513002       4.20052004      -0.17943336      -0.54895659       0.30359625
Cl       4.32250998       9.97921001       5.65627003       0.37179809      -0.10194370      -0.34447719
Cl       6.87955996       2.92580004       3.06240006      -0.49446525      -1.66138880      -0.00781493
Cl       5.22014005       6.47984001       9.07526005       0.29309407      -1.34272299      -0.06555226
Cl       6.01663997       2.61427999      10.61640005       0.46398867       0.40795638       1.71622336
Cl      10.82070000       4.90022998       2.22132004       1.23003542      -3.90895442      -0.40186242
Cl       5.10513995       7.89895003       2.10319002      -0.20285191      -0.11204380      -0.36556189
Cl       2.80875995       8.25435998      11.02059995       0.44144405      -0.30237972       0.38251920
Cl       9.71135003      10.81190000       6.58259005      -0.84792406      -0.20671869       0.01691047
Cl       7.20695004      10.62359994       9.35890999      -0.11525002       0.05187553      -0.16743781
Cl      10.36930001       8.61164002       3.01598001      -0.11188889       1.39880160      -0.16483766
Cl       9.53479998       9.15113996      11.17550005       0.25430352       0.35181519       1.34265005
Cl      10.25879999       6.10893998       6.61557003      -0.58428642       0.84292475       0.11127992
Cl       5.46047997      11.35680003       1.32242001      -0.30329584      -0.90475238      -0.23015261
Cl       9.50309997       2.92669994       5.52982004       0.57205138      -0.68579718       0.02872125
Cl       2.30065001      11.12280003       0.60308799      -0.55522088      -0.16553923       0.06869812
Cl       1.05887997       0.28191596       4.78710997      -0.18278830       0.39069356      -0.25496934
Cl       8.40043995       5.29564001      11.70372483       0.11499735       1.36673970      -0.04290631
Cl       0.14835497      11.38339995      10.08329995       0.47706911      -0.88548739      -0.29815818
K        3.38731002       1.04391997       2.41274002       0.06375048       0.98815968       1.03278259
K        7.35972997       0.85632000       5.45122996      -0.34746021      -0.53455994       0.10211067
K        9.67278004       7.93142996       8.74415005      -0.30907607       0.30154507      -0.57832781
K       11.67139996       8.99737995       5.56079005      -0.88507665      -0.77761883      -0.28598279
K        3.02624000       6.95611995       7.57109005      -0.68528068       0.41805418      -0.92335227
K        1.82670995       9.32187005       3.41628997       0.68082742       1.20212831      -0.63377225
K       11.16279999       4.28345996       9.56325998       0.72809114       1.91848658      -0.25811170
K        6.68025001       7.90895005      10.80849998       0.51989132       0.56031798       1.08969979
K        6.82021002       7.85998996       5.30890006      -0.56347263       0.40144408      -0.04382313
K       11.48259997       1.03703998       7.41367005      -0.12272213       0.27305416      -0.03242402
Li       8.30539997       3.30950999      11.37519996      -0.59288031      -1.43965054      -0.54688508
Li       3.69779995       6.05858996       1.68691996       0.15627742       0.31253887       0.51789894
Li       8.37587001       4.39785005       2.70176003       1.46375922      -1.96069418      -3.26096300
Li       0.54092602       7.97773003      11.33999997      -0.23675566       0.07258341      -0.44717906
Li       1.90370004       9.90848000       9.65639996       0.09857276       0.35600205       0.15379245
Li       4.19265997       9.66921000       0.76897996      -0.39998520      -0.36543567      -0.10607023
Li       9.30617005      10.43879998       1.81833994       0.68969198      -1.69271310      -0.44921296
Li      10.57419997       1.81115006       3.68895003       0.32386158       0.02053865       0.27743051
Li       9.21894998      11.56640000       9.72443994       0.45315316      -0.25340882       0.14959479
Li       1.38183001       1.28970001      11.07429996       0.17520134      -0.32124265      -0.05118822
Li       7.53542003       3.99856997       5.27551999      -0.83499048      -0.57096033       0.22283450
Li       2.50994997       4.74079000       4.67690995       0.48617935      -0.57275371       0.08219251
Li       6.00953003       0.74156503       8.97358004      -0.14866501      -2.37989221       2.40787876
Li      11.15390003       4.38122001       6.00485004       0.55345301      -0.44972437      -0.35396803
Li       5.86280001       4.34288998       7.98185004      -0.00922565       0.68471222       0.38939654
Li       3.97048004       4.82491994      10.33720003       1.76798952       1.17747953       0.49342659
Li       7.21885994       0.36818102       1.55279005       1.36902072       1.76334380       0.16546013
Li       2.18717996      11.64300001       7.29514994       1.79595739       1.61024566      -0.89177931
Li      10.29200002       6.61747002       2.56482998      -1.36386984       2.20559552       0.58598154
Li       3.39624001       2.50202997       8.28590999       0.34093460      -0.12801058      -0.14610472
60
Lattice="11.77414789 0.0 0.0 0.0 11.77414789 0.0 0.0 0.0 11.77414789" Properties=species:S:1:pos:R:3:forces:R:3 energy=-471.69101021 stress="-0.013453372630813514 -0.00022829840683691996 -0.0006876946684254102 -0.00022829840683691996 -0.022609565218791143 0.0008416795642209886 -0.0006876946684254102 0.0008416795642209886 -0.01221734154392175" free_energy=-471.69101021 pbc="T T T" config_type=melt 
Cl       8.09603996       3.24328005       6.55618005       3.63134323      -2.32626108      -3.06703709
Cl       0.35646303       4.43808997       2.36656004       0.28054896      -0.53137847       0.68999457
Cl       4.35695996      11.24579996       1.12784998      -1.89975437       1.21202093      -0.37507979
Cl       0.20262696       4.37898998      10.03090005       0.64234314       2.51032433      -0.80464498
Cl       9.88757005       0.42918606       3.61654997      -0.38203437       0.14790987      -1.07367251
Cl       5.63605994       5.73778999       5.71080000       0.57572398       0.40267182      -0.56046675
Cl       2.74520004      10.83600003       8.37010998      -0.87142051       0.16166315      -0.46730653
Cl       6.44180998      10.51970003       7.99240003      -0.63382158       0.37016944       0.04463876
Cl       9.78798996       2.78520000       0.37857794       0.65956677      -0.60504569       0.11549218
Cl      10.73240001       5.13048004       6.09668003      -0.18305214      -0.33093609       1.79271663
Cl       2.54067002       2.84828000       0.00945205       0.16489971      -1.67155086       0.30315383
Cl       5.97083994       2.04612002      10.70929996       0.85299778      -0.13298165       0.16283910
Cl       4.99847006       2.04925995       3.04111004       0.66682815       0.34709559       0.21908553
Cl       8.94186001       7.92216994       4.73700002       1.31116555      -0.10195351      -2.95118264
Cl       5.30167002       9.84073002       4.02085997      -0.01940495      -0.34577001       0.23391227
Cl       1.37263004       9.13905003       3.60717999      -0.44929695      -0.01687710      -0.14694883
Cl       7.45721002       5.51927994       9.01833004      -0.19615237      -0.93298773       0.13649702
Cl      10.46389999       1.66565997       8.49066996      -0.56414944      -0.01689676      -1.10883120
Cl       1.23819000      11.33960000       0.32815798      -0.44752919      -0.56629440      -0.30786473
Cl       4.15100998       8.55301996      10.55719999       0.23182381      -0.53988890      -0.17865901
Cl       8.16782000       7.97361002       0.15734700      -0.61307563      -0.04539653       1.03544378
Cl      11.53770004       7.43079001       0.49097196       0.32610192      -0.90712935       0.49148491
Cl       2.63204000       6.56337994       5.78398999      -0.78365640       0.45681766       0.04280377
Cl       2.33597999       1.78896003       5.60981996      -0.32063004       1.28491178       1.48638407
Cl       7.33901995       5.00449995       2.43978006       0.50752999       2.24253840      -1.32324320
Cl       4.84379001       3.19838004       7.64224994      -0.65082090      -0.43795408       0.28466466
Cl       9.47374996       7.73174995       9.24133994       0.97145900       0.51585782      -1.00443062
Cl       9.42451000      10.60290005       6.64627995      -0.70919311       0.91885392      -0.49732835
Cl       3.41745997       6.72586000       1.95982999       0.44283928       0.65878036       0.28314253
Cl       9.43863003      10.73580003      10.54689996      -0.40785752       0.94351332       0.82913178
K        3.06127998       4.62430000       3.79284005       0.18057607      -1.25619992       0.06760512
K        2.15330997       1.74733005       8.97838001       0.63593304       0.12745863      -0.00680109
K       11.67579996       6.52361005       4.14135000       0.41919077       1.35696027      -0.60770072
K        5.24855001       0.66126900       5.88838994      -0.21720907       0.22269396       0.00561050
K        7.51803998       8.28038003       6.79691004      -0.69743081      -0.54433280       0.75983604
K        2.46352003       4.98538003       7.95508999       0.12462612      -0.30080277       0.08671604
K       11.18280003       2.48148997       5.26274999       0.04422409      -0.03103986      -0.04407922
K        2.19043998       0.12982399       3.67541000       0.12175997      -0.90488054      -1.99071629
K        2.79881998       5.35378005      11.36049994       0.41314093       1.49918930      -0.30751432
K       11.36319999      10.82039999       8.46231004       1.26787522      -0.87011040       0.33774109
Li       7.08768004       3.31206003       3.32466002      -0.76575817      -1.92330621       1.20095094
Li       8.36025997       4.07228002      11.39300000      -1.55581199       0.56882997      -0.61638408
Li       3.03317003       8.46095001       4.99551003       0.27871736       0.70314367      -0.51751961
Li       7.03912004       7.51800995       9.79538000       0.33836301       0.31973436       0.86575464
Li       8.74744999       6.97725996       2.10786000      -0.31404517      -0.04002779       0.20902372
Li       3.27145994      10.44329994      11.43784290      -1.18345420      -0.29953505      -1.16968496
Li       9.94944002      10.02430005       3.70004999      -0.00607526      -0.66031329       0.84982521
Li      11.42910884       4.58305999       0.41722505      -0.20176499       0.09240179      -0.16446437
Li       6.01851994      10.82730000       1.80879005       2.61902629      -1.15098229       1.74637249
Li       7.92880997      11.62079997       9.02008003       0.51872982      -0.19799185       1.05318119
Li       5.43744997       6.75266997       3.63909005       0.20551906       0.08902181      -0.06955236
Li      11.32089995       2.56552996      10.06559999      -0.75591093      -1.48599847       1.63305664
Li       4.63194001       1.72648004       0.68146401      -0.34376777       0.31280766      -0.07588690
Li       8.55331996       1.41867002       7.17064999       0.86099836      -1.42608399       0.03275676
Li       6.77961005       4.20939998       7.20677001      -4.36139535       3.20785004       1.93903513
Li      10.51509999       8.75719004      10.99410000      -0.91382442       0.30211249      -0.25596347
Li       4.52807001       9.92441995       8.78449005       0.26929417      -0.50520244       0.48214942
Li       9.42137997       0.62639503       1.17713998       0.52127079      -0.04038589      -0.17817752
Li       9.91629002       5.81079996       8.21609000      -0.11859982      -0.28465356      -0.25275259
Li       1.65874996       8.23394997       1.18944997       0.48248105       0.45581696       0.70289343
60
Lattice="11.77414789 0.0 0.0 0.0 11.77414789 0.0 0.0 0.0 11.77414789" Properties=species:S:1:pos:R:3:forces:R:3 energy=-470.08091202 stress="-0.016646863812481864 0.00498181140354835 0.0019467215096689047 0.00498181140354835 -0.015268408496552192 0.0007124075118697426 0.0019467215096689047 0.0007124075118697426 -0.018830619257779152" free_energy=-470.08091202 pbc="T T T" config_type=melt 
Cl       8.80663004       9.47963998       5.01756996       1.61053917      -0.70368427      -3.48264551
Cl       0.32659697       4.18304002       8.00583998      -0.10210959      -0.19611770       0.51378588
Cl       7.23200001       2.72802003      10.93739994      -1.24356685       0.78808915      -0.44795137
Cl       9.74411996       8.10449003       0.69685895       0.29876876      -0.23549129       0.33840254
Cl       6.44441995       3.63178996       3.00023997      -0.91792017      -0.77189484       0.58355555
Cl       5.00593004       3.51492000       8.49581997      -0.03571125       0.16179410      -0.15692160
Cl       0.00715209      11.16460002       1.22465997      -0.44425260      -0.16424358      -0.13816700
Cl       5.76253996       8.27456995       1.05158000      -1.02617373      -0.76683242       0.23699015
Cl       4.16919998       1.15097994       5.43027998      -0.15215838       0.18652314      -0.50296855
Cl       9.46457001       3.02293994       6.38452004      -0.21486789      -0.75550884       0.00790708
Cl       3.59180001       4.66222005       0.02525213       0.45432013      -0.01409696       0.01573830
Cl       7.54833003      10.67339999      11.72910000       0.61820048       3.81730762       0.96827722
Cl       0.04605211       3.73634004       0.56586602      -0.54479674      -0.36037849      -1.44700570
Cl       3.73930995       1.10282003       1.50566002       0.02388798      -0.27036224      -0.69707755
Cl       1.45578002       8.15756000       6.29798005       2.19525286      -3.09505536      -1.99531744
Cl       9.46567996       5.11148998       3.66236000       0.05134082       0.25977908      -0.81300784
Cl       6.75824998      11.72169995       8.09376002      -0.61779231       1.17861625       0.16083727
Cl       2.86949995       1.00524001       9.27269002      -1.42652333      -0.74306422      -0.46969565
Cl      11.10069995       9.15012997       9.50085005       0.93852949      -0.44936610      -1.07216276
Cl       1.03468998       2.34031994       3.94722998       0.28951424      -0.70642972       0.61141291
Cl       7.78665998       6.03376005       6.86368994      -3.06512093       1.79187282       0.02098949
Cl       4.91402999       8.46888001       7.43843002       0.02528059       0.59201923       0.54713516
Cl       2.39676003       9.44144005      10.97909997      -0.38587147       0.04828751      -0.08129263
Cl       4.81288994       7.00467995       4.48637998       0.41157075      -0.38998764      -0.08846866
Cl       1.42065997       7.77052999       1.63741002      -2.49958830      -0.73236117       0.39778652
Cl       0.00212088      10.79640004       6.09860004      -0.41625504       0.91454402      -1.45370034
Cl       9.63479005       5.50649004       9.98850005      -0.18713165       0.29875884      -0.01683091
Cl       7.84522000       8.64473998       9.84513002      -5.51395954       1.61792448      -2.01093506
Cl       3.82501998      10.04619997       3.81798998      -0.73736312       0.66802428      -1.12187357
Cl      10.79189996       1.16834999       9.41386994      -0.21024758      -0.52738010       0.45912176
K        5.52884997       6.69588997       9.30978000       0.40630295      -1.03044476       1.02381248
K        7.95944996       4.60120995       1.18332000       1.12851390       1.33652506      -0.97195836
K        6.00666997       3.47873004       5.72774994       0.14554689       0.43718452      -0.21446535
K       10.08229997       1.59622994       3.91694004      -0.20022682      -0.02315174      -0.31352610
K        4.69742005      10.45739995       9.99809998       1.25316900       0.01063129      -0.30956494
K        2.54878994       5.68381000       7.55232995       0.69870154       0.21456357      -0.33268630
K       10.15750004       5.98957002       6.10801995       3.09607097       0.24316302      -0.01912312
K        0.68635005       4.94943002       2.88563996       0.34830598       0.53254175       0.49289440
K        7.83035997       9.43657003       7.19627995      -1.14381173      -0.33111041       2.55851180
K        6.75702005      10.17610002       3.21942998      -0.64486893       0.40951416      -0.69897563
Li       9.34040997       7.80128995       9.85890000       5.05163339      -3.49035197       0.15881390
Li       3.37326005       8.02142001       1.79953003       2.30685820       0.30576557       0.42634456
Li       4.01460000       9.08421005       5.65219995      -0.54246679      -0.69926299      -0.13275517
Li       7.56747998       8.73024996       0.07099317       0.18432715      -1.46114229       1.17174447
Li       8.87124998       1.73796996      11.25260000       1.37099518      -2.18682013       0.25139179
Li      11.11289997       8.76939995       2.70211996       0.24552320       0.25028188      -0.54800537
Li       0.43553998       9.27631999       7.30966994      -1.73446881       1.16666285       2.73834499
Li       5.14378000       1.33127994       7.21901995       0.17872722      -0.35333899       1.47977571
Li       2.35423004       0.27880299       4.45258006       0.05915283       0.13690961      -0.39082040
Li      10.06140004      10.15120005      11.02550000      -0.81783872       0.75797393       1.29749026
Li       7.09694994       7.11661995       4.73621999      -0.13707006      -0.34166428       0.02689797
Li      10.14359996       3.27516998       9.90308002       1.03650827       0.62036814      -0.47779923
Li       4.40720002       1.76307998      10.32069998       1.37135576       1.16900037       0.79422521
Li       1.97503996       3.60331995      10.76820002      -0.71968534      -0.29628845       0.09690515
Li      11.46568794       6.97368003      11.25260000       0.15322453      -0.14597054       0.38071048
Li       4.75495995       3.12342005       1.65651005      -0.38618553       0.03795208      -0.15185954
Li      11.76819994       0.88711905       6.83559000      -0.17766433       1.92896507       0.94339354
Li       0.94392802      10.96749996      10.02180005       0.08769484       0.42700085       0.16666186
Li       2.30695001      11.06350000       0.91583196      -0.00723313       0.18351894       0.30894290
Li       8.36852000       4.30723997       7.63920997       0.21311361      -1.25026171       1.37876034
60
Lattice="11.77414789 0.0 0.0 0.0 11.77414789 0.0 0.0 0.0 11.77414789" Properties=species:S:1:pos:R:3:forces:R:3 energy=-466.89128035 stress="-0.02853054326630704 0.0006004763441870841 -0.003684800722564632 0.0006004763441870841 -0.02422397757284763 0.010848663826664173 -0.003684800722564632 0.010848663826664173 -0.025405481494091216" free_energy=-466.89128035 pbc="T T T" config_type=melt 
Cl      10.28320002       1.78443004       9.77344995       5.50354071       2.34277726      -0.47845989
Cl       1.01785001       8.64489999       1.35834000       0.24638455      -0.23853617      -0.11179061
Cl       8.12327003       5.64100002       9.72174001      -0.06384218       0.29765944       0.06918959
Cl       6.70937996       2.00352998       3.61045002      -1.86733241       0.39165383       3.22994034
Cl       0.82444797       7.09573002       7.97199001       1.03020480      -2.32389425       3.21357742
Cl       8.51790003       6.96375996       3.27051000       0.83553968      -0.73507573       0.37046565
Cl       4.85614003       5.63997002       6.84781003       0.61693220       2.70057698      -0.32385650
Cl       7.94346997       1.49088005       7.42758002       0.37997382       0.41458632       0.52591047
Cl       3.97434996      10.36300002       0.95072794      -0.79315111      -1.69721206      -0.96391028
Cl       7.39994998       2.27668997       0.05296989      -0.86785481      -0.38891429      -2.52438272
Cl       4.39793000       3.00316997       6.21832005      -0.21770888      -2.82789286      -0.87362195
Cl       7.21832999       9.54444995       2.41458997       0.75986971       2.22037662      -1.44401874
Cl       9.70553996       2.38520994       1.38889002       2.13558834      -0.84321695       2.74992244
Cl       4.81164000       0.90545305       9.97083000      -0.46976384       1.83428617      -2.18178831
Cl       9.66913994       4.30152998       5.08402996       0.37901212      -0.24875852      -0.16666014
Cl      10.01189999       8.60686996      10.95670000       0.40876779       0.79743706      -0.44775248
Cl       8.57862002       8.51377001       6.95226003      -0.24080751      -0.46163074      -0.12175821
Cl       5.42214004       6.55708995       1.76037004      -1.54902593      -0.24965999       0.53753269
Cl       4.02197003       8.49443003       8.12455000       2.10029594       1.94236738      -0.96947390
Cl       9.09389994      11.60660000       4.15860996      -0.44371145      -0.43007219      -1.63087813
Cl       1.22644999       5.61609005       3.82270000       0.54659776      -1.71725101      -0.17838137
Cl       0.36067900       2.54249996       7.06634999      -0.47205542       0.21323050      -0.76272087
Cl       3.24548994       5.25844995      10.39739996       0.28497521       0.10594739      -0.09922899
Cl       0.08385395       8.42140994       5.82677995      -0.55397509       1.48349112      -2.66070835
Cl       4.02028998       3.22583006       1.53518004       0.12066828      -0.47500000       0.48971733
Cl       1.68022000      10.75660001       8.64185002      -0.97369929      -1.35998753       0.85342181
Cl       7.52104003      10.44699997       9.18609999      -0.41534687      -0.19133514       0.89471878
Cl      11.00049995       5.57943995       0.30095899       0.61189869      -2.06671215       3.91842900
Cl       0.59953102       0.66185405       2.00113994      -0.72416797       1.22043058      -0.18784995
Cl       3.03334005      10.26859996       3.99364002      -0.53857104      -0.50139503       0.75392720
K        5.53443998       8.69477999       4.07242002      -1.05233891      -0.90993550       1.49165666
K        2.20444004       4.74304004       6.71750000      -0.80321268       0.38831998       0.20461367
K        2.42957999       1.38998996       8.03880995       1.82177941       0.45501528       0.26754194
K        7.62880998       7.49310999       0.58783104       0.98075895      -0.01753693      -0.87429273
K        6.93024002       4.75077001       4.58334998       0.68727161       0.53759743       0.17525259
K       10.27799997       0.08992117       6.39167001       1.30482276      -0.40640301       1.75054783
K        4.61602995       0.31934303       2.80799004       0.19006578       1.23041339       0.68868458
K        6.27317004       3.73794003       8.10870000       0.55250548      -0.14703824       1.29086503
K        1.52096005       3.91791000       0.45746003      -0.05985412      -0.51458748       0.02972192
K        4.18552001       4.89766004       4.04367002      -0.84942783       0.00423725      -0.69373278
Li       9.10017003       9.13849994       3.70528996      -0.25059827       0.02104178       0.37963807
Li       7.61284000       2.05441997       2.03467001       2.24699392      -0.04905458      -1.95788228
Li      10.65369996       7.87490004       7.74301004      -0.91834424       0.54099903      -0.59049704
Li       2.06134999       8.68398004       7.27672999      -0.79947581       0.96401358      -0.71105125
Li      10.87490005       6.64740002      10.62609995      -0.32929431       2.53563223      -3.55176374
Li       1.69129006      10.82150005       1.73725998       1.32913933      -1.84862555       0.58419399
Li      10.11999997       0.16149904       2.12283000       0.18006742       0.26843938       0.25923927
Li       0.36594605       7.38803996       3.42486002      -0.55177721       1.87148425       0.07781276
Li       7.23064998       7.82090003       8.92172999       0.91740960       0.03876670      -0.61621607
Li      10.27019995       3.39845001       6.99127002      -0.93797785       0.24453914       0.21754428
Li       0.39937297      10.54369998      10.71920002      -0.23334203      -0.42735620      -0.39394323
Li       5.47775994       2.84491000       0.00355485      -1.42227875       0.46314842      -0.57010217
Li       3.39287001       7.15553999       9.34520005      -1.13430284      -1.92596058       1.10520596
Li      11.00869994       4.43844001       3.06243997      -0.38634297       0.00570337       0.49523778
Li       9.73073004       3.93864003       0.19447395      -0.89026343       0.50752052      -1.77440111
Li       5.02052998      11.51839998      11.43500004       1.06641892      -1.09940003       1.20177972
Li       8.71903003       1.07156002      10.03429995      -5.50557155      -2.49370091       0.56085260
Li       3.57117994       7.79374001       1.04657999      -0.23841648       0.23211039       0.22318017
Li       6.91659001       1.26091999       5.66763997      -0.35173596      -0.23808229      -0.59343701
Li       5.42995996      10.17159994       8.78482997      -0.33191376       0.56042312      -0.15576069
60
Lattice="11.77414789 0.0 0.0 0.0 11.77414789 0.0 0.0 0.0 11.77414789" Properties=species:S:1:pos:R:3:forces:R:3 energy=-470.13262065 stress="-0.025107464050944668 -0.0004724897368818228 0.000953403033204465 -0.0004724897368818228 -0.01682763551782318 -0.002967052732067928 0.000953403033204465 -0.002967052732067928 -0.021874736564624325" free_energy=-470.13262065 pbc="T T T" config_type=melt 
Cl       9.66005996       5.49829994       3.22005001      -0.82504527      -0.16631024       0.06832782
Cl       0.35687395       2.34691994       8.76269999       0.21119780      -1.46320182      -0.41604951
Cl       1.52345005       9.13383997       5.91382999       0.07800448      -0.72429348      -0.30200820
Cl       4.46372005       7.74076000      10.30099994      -2.46388242      -0.36503058      -1.71566210
Cl       2.87784994       4.10251003       9.14028996       0.61376574       0.60505662      -0.01623257
Cl       1.74328999       5.35079000       0.86117095      -1.72786583       0.21665395      -0.24223650
Cl       3.36207002      10.49849997       2.87828005       0.73973467       0.01163706       0.68942829
Cl       6.72872995      11.41449995      10.66249996      -1.28109479       0.43655685      -0.56467618
Cl       9.17977998       2.42746006       3.39591999       0.22329379      -0.83502033      -0.47583079
Cl       5.23260005       9.06387998       4.97897996       1.53642534       0.51793750       2.67163889
Cl       4.95443003       5.42111004       3.28964994       0.88505363      -0.70031556       4.15241245
Cl       6.00432998       9.19879005       1.64935996       0.05662978      -1.40702037      -1.45858735
Cl       6.31998005       2.83916998       0.77227896       0.09670961      -0.29873150       1.25581972
Cl       8.31898004       8.83148998       9.35161001      -1.16855368      -1.38072805       0.22274875
Cl       4.28522997       1.39726003       4.71888997      -1.62127038       2.39225267       0.42561570
Cl      10.26419996      11.15610003       9.43576998       1.07729241       0.85741843       0.22397312
Cl      10.04700002      11.10889994       1.08619999       0.39190523       0.16820871       1.09798169
Cl      11.22610004       5.08011000       8.85980998      -0.92475684       1.28638562      -2.48546115
Cl       7.18076998       5.97001999      11.02249995      -0.02710556      -0.08154910       0.88003693
Cl       1.92928997      10.79029997       0.32625705      -0.06681487       1.29158865      -3.61166572
Cl       1.73788001       3.56722995       4.83504006      -3.18447501      -0.39244425       1.78257078
Cl       2.55860005      11.09129994       8.21963001       0.80726748      -0.56365815      -0.08252769
Cl       7.14411000       3.47147999       7.67713003       0.40541471      -1.44595730      -1.15703195
Cl       9.77367001       6.84523997       6.18887997      -0.65082698      -0.09126144       0.33081129
Cl       9.86586994      10.67050002       5.57031004      -0.03134573      -0.08792951       0.36126219
Cl       0.20222005       8.32771999       2.62877997      -0.45842320      -0.48289397      -0.14270181
Cl       0.41263997       1.52241004       2.44064004       0.61846544      -1.20953623      -1.18139866
Cl      10.23149998       3.49856995      11.01089994      -0.79659866      -0.95406816       2.23146397
Cl       7.22575994      11.23560001       3.45080000       0.60950672       0.03059572      -0.43221365
Cl       0.79898202       8.03683001       9.59031002       0.31253574       0.24735034       0.18865529
K        3.02724999       7.14760998       7.84260002      -0.02808813      -0.22206003      -0.23188517
K        7.75840002       5.92853001       8.26618005       0.83753636       1.67115423      -0.02560245
K       10.39150005       8.72044999      11.52640004       0.02561681      -0.20051889      -0.54391881
K        1.77089001       0.18473697       4.63116998      -0.76001692       0.15729087       0.86419429
K        5.70746003      10.68300005       8.09372999      -0.39842144      -0.19020528      -0.16921115
K        4.30592998       5.98429002       1.11506997       0.20663130       1.34129184      -4.04850251
K        1.98246002       2.59009000       0.38752901       0.33976157      -0.12078909      -0.46332796
K        7.10750005       3.83004000       4.34357994      -0.36948339       0.25723706       0.60337584
K        5.70722996       3.13823004       9.94385001      -0.57828938       0.00588935      -0.15809348
K        7.42408004       8.06344995       3.94676996       1.49998948      -0.55409885      -0.33195854
Li       1.46790998       0.62952001       9.36259000      -0.37665258       0.10297254       0.32327044
Li      11.34629996       2.81182994       3.69748005      -0.45459174       1.41000421       0.95367469
Li       5.39949000      11.27800002       2.05796999      -0.09683090      -0.12392100      -0.37865822
Li      10.63820000       6.28821999       1.65991996       1.18508443       0.32850320      -0.12063175
Li       8.45324995       3.62049997       0.94463694       0.14414596       0.14949230       0.01301849
Li       3.35403004       4.08990004       4.05662005       2.58178117       0.46144931      -1.11927647
Li       1.57587998       9.94601998       2.01890996      -1.12847277      -1.05589739       1.34167156
Li       2.77134995       9.07809997      10.60029996      -0.77655817       0.53475049       0.17632427
Li      10.87900005       0.80162802      11.43910003       0.08648431       0.32263122      -0.39104218
Li      11.34590000       7.90281996       5.31125995       0.22427068       0.63909986      -0.63410016
Li       8.31735003      11.59370001       0.11202595      -0.44370001       0.18638595       0.00513790
Li       9.20657995       0.19631202       3.10113006       0.73262133       0.01692554       0.48223831
Li       8.74649005      10.26639996       7.95588004       1.21933500       0.59329815      -0.96322625
Li       5.80604002       0.36360099       4.51549003       1.60793697      -1.33177287       0.58634671
Li      10.00860005       3.06191002       8.85992996      -0.13666168       0.11891552      -0.30891386
Li       0.52028205       9.91378001       7.87699996      -0.29401254      -0.06077238       0.19423393
Li       1.18541002       4.30443996       7.53486006      -0.13361958      -0.65967511       0.19106369
Li       6.05671999       8.12372004      11.22800004       3.18276062       0.73255605       1.58760559
Li       0.35733102       5.59793996      10.55210001       1.21465201       0.20946679       1.11821839
Li       3.46640004       8.76853996       4.37292006      -2.54835210      -0.13129571      -0.85048818
60
Lattice="11.77414789 0.0 0.0 0.0 11.77414789 0.0 0.0 0.0 11.77414789" Properties=species:S:1:pos:R:3:forces:R:3 energy=-471.29570174 stress="-0.008118459195531908 -0.0007984951118318054 -0.0004834602627101323 -0.0007984951118318054 -0.030648351219531165 -0.01098481289235899 -0.0004834602627101323 -0.01098481289235899 -0.01740346985969451" free_energy=-471.29570174 pbc="T T T" config_type=melt 
Cl       9.61554002       1.52606002       0.51372503      -0.17480876      -0.36954733      -0.11328845
Cl       8.13467000       9.52829005       0.79887205       0.62302125      -0.06966067      -0.62815947
Cl       8.88157002       0.09455206       9.31946000       0.47531153      -1.69494077       0.02385049
Cl       5.09171000       1.21652003      10.74609994      -0.71041501      -0.10626574       0.88479813
Cl       3.07365002       6.31752996       5.76574006      -0.08163950      -2.05501880      -0.78524337
Cl      11.05129998       2.81660000       8.40894995       2.06995568       2.39067060       0.31706028
Cl      11.66440000       4.92731005       3.62569001      -0.10363276      -0.26805273       0.03517997
Cl       8.45978001      11.20640001       4.20409997      -0.23832533      -0.34760147      -0.57057313
Cl       1.01153000       1.35016002       3.12571000      -0.41738926      -3.26588944      -2.33570648
Cl       2.14372005      11.05250000       0.84215806      -0.25295655      -0.24132060      -1.18687428
Cl      10.52739997       7.93345005       9.44978003      -0.84680338       1.70187265       0.96328793
Cl       6.49599002       2.27390998       5.35492002       0.01532163       0.19925932       0.10939620
Cl       7.11144003       2.58193005       9.21846995       0.13221106       2.61666547      -2.10258345
Cl       1.96552998      11.20660005       8.67730998      -0.36941626      -1.07982439       0.08042013
Cl       3.76057006      11.15869999       5.75837003       0.72672258      -0.06125074      -0.63931852
Cl      10.65489998       7.90892002       5.92845996      -0.17499027       0.15070921       0.19994304
Cl       2.99526999       3.65658997      11.23930004      -0.05518948      -0.60830268      -0.08876570
Cl       9.16718000       5.58632006       0.59870800      -0.91098479      -0.11309628       0.01698843
Cl       6.46036003       7.74450994       2.97443999       0.70759300      -0.85666353       0.95730193
Cl       6.25880004       6.47447005      10.40749994       0.03003259      -0.29944931      -0.63162041
Cl       6.42367002       3.83375003       0.77154802      -0.63524204      -2.11091259       1.08028704
Cl       0.76765502       8.45428996       3.56783997       0.41257826       1.16523838      -1.19620949
Cl       4.04927004       6.68927996       1.02143994      -1.99898866      -2.06355264      -0.66949931
Cl       1.51774995       6.23506995      10.11260004       0.57313240      -1.03417197      -1.28911225
Cl      11.51689995      11.20869997       5.73623004      -0.40698371       1.00328572       1.20853712
Cl       5.01880001      10.88019995       2.25208000       0.66050185       0.04347676       1.97201796
Cl       5.14820001       9.87118997      10.59089995      -0.75568168      -0.32054338       0.19461180
Cl       7.98535002       5.89743001       6.14490000      -0.80636872      -4.57849242      -3.10020766
Cl       2.70519996       2.68913002       5.52097000       0.47200699       0.19745536      -0.75659016
Cl       7.28164994       9.48651997       7.68097005       0.14876298      -0.74301250      -0.52060928
K        4.85284998       4.90240996       3.30333998      -0.23290041      -0.06487385       0.44357399
K       10.79930002       4.37232005      11.03070005       1.93561425      -1.53676057      -1.32424260
K       11.40159996       6.00370995       7.99324000       0.44385530      -1.33807779      -1.11155555
K        1.48871996       8.01982002       0.13696301       0.14781564       0.96276853       1.26937621
K        9.65692003       7.24987999       2.37023005       0.48116835       1.72362943       2.08784302
K       11.29900003      10.60659995      11.30020005      -0.97500064       0.27485564      -0.50600075
K        5.58680998       0.08818966       8.16452995       0.07104662      -0.28764265      -0.27972670
K        2.22575996       1.99713002       8.02984994      -0.03777589       1.36307825       1.17118845
K        2.78603997       8.67462995       6.48323002      -0.52767863       1.42650322       1.20623538
K        8.99624998       2.85887002       2.93514000      -0.04453036       0.25739562       0.41436236
Li       1.69225000      11.49605994       6.24995000       0.54729790       0.51936166       0.69208490
Li       5.01461995       0.73796297       4.58500001       0.21443988       0.58105847      -0.27280486
Li      10.91240001      10.23589997       4.08701996      -0.77144788      -0.92972910      -0.95752123
Li       4.40859996      11.38679997       0.36639606      -0.00263245      -0.24909629      -1.35743185
Li       1.05956004       2.93241005       4.05173002       0.10031591       3.44399024       1.88793329
Li       7.66091997      11.40409996       1.77474004       0.18452947      -0.00467632       0.40561527
Li       7.07298001       9.11422000      10.04170000       0.51966434      -0.47866435       0.11387632
Li       2.29995004       1.45189996       0.18785206       0.22659907       0.74893015      -0.10094091
Li       8.13649005       7.17913997       7.34259999       0.46891074       4.40093696       3.59326399
Li       5.01336000       8.22611003       1.54889999       1.12040973       2.64303769      -0.09794905
Li       5.52651998       3.49570000      10.58700000      -0.37100975       0.00774059       0.23476998
Li       7.15374996       3.89984998       7.55123001       0.05215084       0.57284461      -1.14727357
Li      10.36319994       9.89376996       7.19829003      -0.40269495      -0.63196227       0.34675166
Li       7.15348999       5.63463998       0.94198705      -0.58361592       2.07394330      -0.49698362
Li       6.40783002       9.43922004       4.38720999       0.54651466       0.39675106       0.05006818
Li       3.92391999       5.86241005      10.44620003      -0.23032786       0.25050218       0.47062151
Li       2.23369997      11.28699994       2.93440000       0.24965909      -0.16268598       0.79040824
Li       0.85558105       6.66000001       4.87542997      -0.05331439      -0.40030642      -0.12785766
Li       7.48328999       1.19149997      10.51259999       0.45318449      -1.17689046       2.08364591
Li       9.82546001       1.44475000       8.09610001      -1.63758280      -1.56702504      -0.91064937
60
Lattice="11.77414789 0.0 0.0 0.0 11.77414789 0.0 0.0 0.0 11.77414789" Properties=species:S:1:pos:R:3:forces:R:3 energy=-470.18003146 stress="-0.030813996246773844 -0.0005279463443784637 -0.003481192140486388 -0.0005279463443784637 -0.016143888073391614 -0.0014544466694542345 -0.003481192140486388 -0.0014544466694542345 -0.017219613238535655" free_energy=-470.18003146 pbc="T T T" config_type=melt 
Cl       7.91679999       0.26194100       4.95959005       0.34686030       0.57353220       0.47077215
Cl       6.80281995       1.74310996      11.36769995       2.47061168      -0.13987280       1.32792510
Cl       3.20142001       8.92461995       3.46508004      -1.82855787       0.04334759      -0.43085032
Cl       9.76903994       3.95430000       0.31175212       0.39234587      -0.73243926      -0.10333637
Cl       7.17704994       6.02895996       0.47421405      -0.66160750       0.06056427      -0.38169623
Cl      10.45380001       5.95884997       9.05761001      -1.13461781       0.75937732      -0.64633554
Cl       4.12707997       6.63911997       5.22781998      -2.38510456      -0.06052418       1.02840891
Cl       5.50209004      10.52989998       6.87142002       0.50039456      -0.25716845      -0.73365692
Cl      11.13820002      10.05740001       4.49977002       0.26559185      -0.73584900      -0.89119050
Cl       3.79333998       2.87562004       0.25218306       1.14459051       0.58651997       3.20650458
Cl       7.01125004       8.74899994      10.01579994      -0.63080206       0.87133607      -0.76302912
Cl       0.48738897       1.21029998       9.98939995      -0.17079512      -0.11459247      -1.04649222
Cl       4.11110999       0.30439599       9.81035001      -0.77076855      -1.05792054      -0.92308965
Cl       2.27110997       8.96185004       0.21086098       1.98296286       0.13984727       0.57174533
Cl       1.08174996       0.59533695       1.30455004      -0.55222375      -0.04612445       1.80138648
Cl       4.80384998      11.38899997       2.36193999      -0.24439447      -0.09094637      -0.02094169
Cl       8.85937999      11.20360000       1.29709005      -0.13367824      -0.26821458      -0.07823760
Cl       5.90329001       3.27245003       3.91456002       0.01832561      -1.33480056      -1.51460444
Cl       1.73451001       5.82767996      10.10369996       0.47393139       0.50406619       0.41666005
Cl       5.73657997       4.06923005       8.39325996       0.13681211       0.17747816      -0.04060603
Cl       8.93621996       4.68998997       5.95259001      -0.10731610       0.25562033       0.07557484
Cl      11.04289995       7.78316000       0.14135206      -2.10871466       0.66709089      -2.07883412
Cl       3.89206998       1.96403996       5.87388996      -0.35413673       0.34312037       0.84196668
Cl       6.76095002       8.01295004       3.98368003       2.45114626       0.63357862      -0.97166431
Cl       9.06163995       8.71659996       6.83228994       1.18177084       3.56182590      -1.79130911
Cl       2.40154999       9.56059996       8.12757996      -5.38779166      -3.57973946       0.28143387
Cl       0.85181498       5.57834001       1.94649000       1.75284196      -0.61881661       2.43267368
Cl       2.07692001       3.23038995       8.50526001      -1.47883720       0.49191499      -0.48966925
Cl      11.20830000       2.67924997       5.08530004       0.82593963      -0.54625525       0.24353351
Cl       8.98704001       0.79789197       9.38757003      -0.14276688      -0.39957647      -1.32363303
K       11.40719998      11.66319998       6.54304999      -0.02025006       0.79868383       1.64210185
K       10.03380002       1.51323998       2.75383002       0.23945664      -0.25566631      -0.50165378
K        2.34453002       0.66145303       4.23062995      -0.70639629      -1.21774093      -1.44364077
K        8.19131001       4.65558002       2.66077999       0.61312482       0.15485682       0.18192428
K        3.93836004       5.89321004       1.30519997       0.03068280       0.14450920      -0.26270984
K        6.41212005       5.59492001       4.97353006       1.24662152      -0.36574712       1.34379182
K        0.51531995       8.55609996       2.17644005       0.19247613       0.80782542       2.13554693
K        1.23679005       7.56306997       6.32084003      -0.16246096       0.07723943      -0.22335708
K        4.31293996       7.05189004       8.45094999       0.35991711      -0.32902147       0.23500504
K        1.98709998       4.25716994       4.37644006       0.21071818      -0.05304709       0.14201973
Li       5.99051996       1.78247000       5.60183002       0.62664231      -0.43064929       0.08854931
Li       8.46090997       7.72807994      11.14660005       0.74051188      -0.47616799       0.62754327
Li      10.42189996       1.29778002      10.96689995      -0.62149843      -0.03560236       0.77020895
Li       7.66747005       3.64365995      10.90920003       0.31116818       0.91382828      -0.22178090
Li       2.45776000       3.22686995      10.78920003      -2.76868572       1.31281226      -2.65404521
Li       1.29859997       8.85585999      10.34420000      -1.48548584      -0.57513183      -1.97508566
Li       7.69892998      10.22660005       7.02484000      -0.84005793       0.98673520       0.13583400
Li       3.90107002       2.86420995       7.90539002       1.80845404      -0.27885837      -0.23837590
Li       7.17002996      11.35560001      10.21220003       0.20515916      -0.15271965       0.34962559
Li       8.95300001       9.49807005       4.11650996      -0.54295364       0.18750601      -0.16935604
Li       4.96386996       1.55020998      11.09809998      -1.32733412      -0.20549873      -0.17468631
Li       9.18877002       2.37640994       6.08201003      -0.24592338       0.28207161       0.07837712
Li       3.83134999      10.54339998       8.07914995       4.37546229       3.73828243       0.56051912
Li       3.82054003       9.61631005       1.42560005       0.55881334       0.56512418       0.43118645
Li       8.93312995       7.03006996       7.42380994      -0.00838862      -4.96404044       1.87122830
Li       5.04248005       8.95604998       4.29628001      -0.18042495       0.81524331       1.04709689
Li       6.02354998       1.26657005       2.43111004       0.73331957       0.68320302      -0.22260334
Li       0.13047805       4.49996994       8.71376004       0.72413932      -0.40878324       0.33917836
Li      11.49679995       5.78308997       0.39275214      -1.15260709      -0.78667129      -2.14806727
Li       2.02386005       0.75921801      11.27679999       1.23378748      -0.61895454      -0.21378368
60
Lattice="11.77414789 0.0 0.0 0.0 11.77414789 0.0 0.0 0.0 11.77414789" Properties=species:S:1:pos:R:3:forces:R:3 energy=-471.68201861 stress="-0.01004291936426189 0.005764637587451682 -0.0009604147507979915 0.005764637587451682 -0.015766178355159782 0.0013041824620787777 -0.0009604147507979915 0.0013041824620787777 -0.01923489436177897" free_energy=-471.68201861 pbc="T T T" config_type=melt 
Cl       3.65500999       6.32504999       4.29730000       1.49528506      -3.68998542      -0.51946296
Cl       8.49692003       0.59023003       2.40553000      -0.06867513       0.13067728       0.15250973
Cl       2.66148997       4.46132001      10.95190004      -0.39629527      -0.58678574       0.61540016
Cl       1.79366003      10.95260001       3.99973997      -0.66792491      -0.48058516       1.54078613
Cl       2.52027001      11.59669994      10.93259997       0.53067693       1.63006739      -0.56698793
Cl       2.77274001       3.86180995       7.65750005      -0.09090050       0.17132780      -0.90017563
Cl       6.93092998       4.92159994       0.22992097      -0.12222552      -0.39825750      -0.61596510
Cl       5.72819995       5.77908005       7.97109000       4.16984811      -4.65576998       0.60222368
Cl       7.38346006       9.59663003       8.97963996      -0.85601437       1.00271801       0.27925757
Cl      11.51409994       7.44919995       3.35034002      -0.31562524      -0.06092589       0.19046055
Cl       0.85641396       0.59148397       7.66382995      -0.02962847      -0.04688550      -0.02705576
Cl      11.70029113       0.60784003       0.94663702      -0.06021218       0.67415427       0.36419609
Cl      10.32410000       5.67756005      10.41990000       0.12485440       0.25816920       0.01759662
Cl       9.13287001       2.49331004       8.22188005       0.04845400       0.22171263       0.07070349
Cl       8.96622002      11.29990005       5.98022005      -0.18879918       0.33793017       0.09672066
Cl       6.19791004       7.80010005       5.31741995       0.55198714       0.07869535       0.21115554
Cl      11.15520001       2.03835002       4.63361994      -1.02742377       0.58476338      -0.99879072
Cl       5.71507001      11.73190001       4.77283994      -1.45038632      -1.16963560       0.78826932
Cl       7.85309997       8.82580000       2.30264997      -0.12816373       0.08002175       0.11274779
Cl       3.35790998       2.70708995       2.31136001       1.20801792      -0.43505243       2.82712324
Cl       9.71221001       7.02965998       6.30145001      -0.59287199      -0.53832224      -0.18189671
Cl       5.42742004       2.87063004       5.32590004       0.93532477       0.87607034       0.48236475
Cl       3.13281005       7.70388996      10.42439996      -0.30530561       0.36416802      -0.19889890
Cl       2.53497004       8.87017994       7.06973000       0.78765584       0.82763433       1.25598347
Cl       8.49865000       4.86077999       3.18446995      -0.36191912      -0.32751586       1.35079010
Cl      11.29340001       3.66592004       1.55673003       0.39745908       1.65744499      -0.50493268
Cl       4.90378000      11.20109999       1.66317998      -2.72509737       0.78590345       2.21673764
Cl       0.47905805       9.54377000       0.55848304      -0.43296317      -1.49781747      -0.52429003
Cl      11.30989995       8.91473002       8.71908996       0.04505207       0.20331372       1.54500262
Cl       5.14530004       1.77121003       9.44507002      -0.45710224       0.77419849       1.19022605
K        0.98813794       6.70860004       0.75790602      -0.01799746      -0.86182984       0.21111393
K        6.14576999       6.39722999       2.59676995      -0.67062414       0.39036032      -0.05770738
K        1.94101997       2.19759996       5.15275001       1.16404157       0.32040645       0.43422622
K        5.41879995      11.26040002      11.16099995       1.14813302      -0.37151103      -4.15813762
K        9.34348997      10.86909999      10.63570000       0.54643590      -0.08690324       0.43792936
K        2.31272004       8.26159002       4.54657002      -1.88555069       1.66112879      -0.96570571
K        0.01444052       2.52161003       9.95141996       0.08992144       0.59816899       0.12376691
K        6.09188996       2.09975997       2.60319004       0.12541788       0.43016330      -0.67493204
K        6.72734001       1.08011005       7.56243005       0.80998487      -0.87383664      -0.95789448
K       11.47289996       9.99244003       6.28511997       0.09488326      -0.48914458      -1.03061237
Li       7.24842000       4.92726001       6.05773998      -0.16401246       0.43105343      -0.08526179
Li       9.04151004       5.04938995       1.11155998       0.75865903      -0.02121390      -0.95252715
Li       4.03124994       4.50642995       5.61727005      -0.40142489       0.60453344       0.48728703
Li      11.54519994      10.40950001       2.32459003      -0.34782717       0.35726743       0.48024501
Li       5.92797003      10.38150003       3.05474003       2.05597960      -1.64156870       1.52335923
Li       1.18451001      10.82449999       9.38818005      -0.41599463      -0.28687677      -0.75000258
Li       4.18408003       3.76290004       9.45077000      -0.59822264       0.18491516      -0.15750005
Li      10.30360003       2.01932005       2.33839004      -0.15724128      -0.92284707       0.37150643
Li       7.12760005       4.37091998       9.82367999       0.29142559      -0.08694556      -0.03277762
Li       8.13570000       7.72409004       8.67670997       0.85832055      -0.99801857      -0.59599813
Li      10.38159999       5.35955998       4.24861002       0.55372497       0.55271673       0.09017048
Li       2.41450002       0.38300302       2.59078998       0.91748611       1.21089803      -2.10309765
Li       8.37537997       7.87540997       4.47879002      -0.00089531       0.34626794       0.08397668
Li       7.51960994       0.96789795       4.92350994       1.40464826      -0.06111380      -0.56424847
Li       2.27405998       9.64454999      11.28189997       0.66079417      -1.57907347       0.28794168
Li       4.58217999       7.12355999       7.93770004      -3.79280492       4.44323775      -0.16233790
Li       3.55197996      10.88889999       6.22380998      -0.02480522      -0.36759190      -0.11558253
Li       2.21103003       2.68777999       0.85028999      -2.32147034       0.53325348      -2.93861550
Li       0.68850001       7.09726996       9.53484001      -0.10224324      -0.12058411      -0.19201609
Li      10.59830000       1.11987994       6.39775995      -0.59582307      -0.06674383       1.09163333
60
Lattice="11.77414789 0.0 0.0 0.0 11.77414789 0.0 0.0 0.0 11.77414789" Properties=species:S:1:pos:R:3:forces:R:3 energy=-470.61364691 stress="-0.02295012564946797 -0.0006115975150796559 -0.0021033149568225186 -0.0006115975150796559 -0.011146133490003802 -0.003557330768660284 -0.0021033149568225186 -0.003557330768660284 -0.019402538719156925" free_energy=-470.61364691 pbc="T T T" config_type=melt 
Cl       6.14836996       3.69740999       6.53981999       0.64758159       0.04726752      -0.56694366
Cl       8.17013997       0.39342303       4.24977001       1.52030916       1.01682422      -0.94759804
Cl      10.46709997      10.00219998       0.60529599      -4.64167646       1.71252109       0.78129686
Cl       2.87024997       4.98068002       5.39656000      -0.20700042       0.44377378       0.54625313
Cl       8.55170997       4.57436996       2.63481999      -0.27847121       0.08010310       0.80465986
Cl      10.57560004       3.69438004       0.47613100       0.88785438      -0.93643403      -0.70514600
Cl       5.09233003       3.36029000       2.66624001      -0.55015832      -0.11793460      -0.75565634
Cl       1.75594002       8.58068002       8.05709002      -1.37792072       0.64985136      -2.67462819
Cl      11.05210004       6.81256000      10.64649995      -0.20421204       0.02842436       0.05649960
Cl      10.05330001       5.02443994       7.21741996       0.81037315       0.67914370       1.49138045
Cl       5.65551001      10.75989995       2.32840003      -0.58773895      -0.31029190       0.70519366
Cl       0.93921695       1.00342997       1.87726001      -0.45784330       0.48661275       0.16347156
Cl       2.12503000       4.74480004       8.79562003      -0.84103674      -0.22099410      -0.30484851
Cl       5.88205003       2.99250000      10.04800000      -0.44328888       0.60540581       0.41331841
Cl       0.56923496       6.53577003       2.45374996       0.59602116       0.11835209      -0.36759364
Cl       3.82309996       7.15440001      10.41649998       1.16609941      -0.00086632       0.98709369
Cl       1.68089996       9.47200998       2.25626995       1.43811652       0.64983769       2.08990580
Cl       2.54160995       4.72111999       0.45254397      -0.25756253      -0.88140014      -0.01987183
Cl       7.00890004       7.76504005      11.60389995       1.34968108      -0.32985224      -0.23952442
Cl       1.16361996      10.03579998      11.07999994       0.85554114       0.28711055      -1.80564338
Cl       9.97675004       1.13801001       7.22254996      -0.82990625       0.87154962       0.11586381
Cl       1.59152005       1.26201004       5.49119000       0.20205636       0.09052601      -1.13651094
Cl       7.78884997      11.06209994      10.37539996      -0.08506929       0.32243826       0.38160948
Cl       7.76560003       7.56504002       4.14604000       1.36162151       0.42815701      -1.16349315
Cl      11.51950003       7.47741999       5.22266997       1.50132471       2.26309097       4.21739174
Cl       4.52065995       7.59001005       2.02663003       0.72209356      -0.86417812       1.31266686
Cl       4.27127996      10.54700004      10.62189999       1.22080692      -0.27574199      -0.04021332
Cl       9.24823005       9.26040994       8.15489999       1.10482564       1.53908218      -0.46813780
Cl       5.72419003       8.52712001       7.41632994      -0.14153826       0.97670750       0.22409524
Cl       2.42203995       0.87446997       8.47283000      -0.15612657       0.14776657       0.60102558
K        2.11490000       3.42754005       3.15933002       0.02715629      -0.05572497       0.08792820
K        8.49961996       7.05264006       9.08209000      -0.91473260      -2.11144258       0.28422418
K        0.11781601      11.10659998       6.94579002       0.50805004      -0.94882785       0.20218047
K        5.88480000       6.66256995       5.61376995      -1.39958952      -2.20582301      -0.03272010
K        9.85818001       0.86453694       1.66455002      -0.28738389       0.31692091       0.39678385
K        9.01721998       9.72980000       5.35270000       0.48366388       0.06966543       0.21607268
K        2.74018001       0.99643801      11.59689999       0.47698672       0.13936268      -0.47798729
K        5.85833996      11.60030001       5.13916005      -1.65321213      -0.01936446       0.74963780
K       11.09339998       1.97751994       9.68902000       0.32746641       0.15550575       0.20453836
K        2.77289001       7.99684995       4.71565997      -0.25734138      -0.38248021       0.08518531
Li       6.75605998       3.34753000       3.90993996       0.39898009       0.10022065       0.39739849
Li       9.14243003       4.07384999       5.77052001      -1.17417532      -1.28638240      -1.16978619
Li       2.25252000       7.04738996       9.09609005       0.24794398      -1.90848177       1.19943250
Li       1.48130001       3.24635004       7.09650994       0.52098566      -0.27174845      -0.60765371
Li       1.79110999      11.42000001       3.27310997       0.01711526       0.34035192       0.43409522
Li       2.56964997       7.63275998       1.31869997      -0.66800107      -0.34191962      -0.65168859
Li       2.63745999      10.19629998       8.90583995       0.40596492       1.30808043       1.42047251
Li       7.19861994       1.37497004      10.24149999       0.01099365      -0.15336478      -0.38198940
Li       0.58556299       5.34561997       0.77748502      -1.14415375      -0.43827848      -1.23004134
Li       7.44985000       8.02413995       2.00597005      -0.29496453      -0.02924023       0.21978574
Li       6.67257998      10.90709999       0.61722497       0.47052872       0.09436713      -1.31431194
Li       0.20294204       9.00921002       0.99733202       1.44047646      -2.04618122      -0.45562404
Li       9.05899995       5.14200999       0.37986404      -0.22113907       0.47761748       0.37275901
Li      10.05670003       9.33549003      10.36020001       0.38268893      -0.09159350      -0.33269835
Li       5.14766005       8.59908996       0.27217897      -1.27401115       0.59011606      -0.70376421
Li       4.11040001       3.71380997       8.76127002       0.47778508      -0.17305594      -0.39571552
Li       0.08279734       6.31982003       7.48342999       0.18226677       0.37115020      -0.22545948
Li       5.79814004       9.76528999       9.12030005       0.22871511       0.36906246       0.78461446
Li      10.76060004       6.71782003       3.77546000      -2.52869646      -1.76409238      -2.85785128
Li       4.54544005       5.15804002       0.25657905       0.88487655       0.38872804       0.08626615
60
Lattice="11.77414789 0.0 0.0 0.0 11.77414789 0.0 0.0 0.0 11.77414789" Properties=species:S:1:pos:R:3:forces:R:3 energy=-470.45517956 stress="-0.016685659603902767 0.0036972365799734434 0.008049079934496071 0.0036972365799734434 -0.022536694295271047 0.0013173901257815684 0.008049079934496071 0.0013173901257815684 -0.020791412268496887" free_energy=-470.45517956 pbc="T T T" config_type=melt 
Cl       3.14033997      10.22730002       3.56821003       0.06685285      -0.08680579      -0.21688824
Cl       9.01169001       0.16056994       1.66365001      -0.02770135       0.18642880       0.29834306
Cl      11.12269995       9.82303995       8.91122003       2.53159008      -2.75159491      -0.72779014
Cl       9.03663001       0.88563104       6.25190004       0.43867871      -1.39864433       0.76197312
Cl       6.89110004       8.04113005       2.52298996      -3.42652730       0.93029898       0.79319052
Cl       5.07584999       7.65908002      10.58950001      -0.20063430       0.38476473       0.13620846
Cl       0.84267894       7.65455004       0.96703796       1.08370773       0.00261348      -0.88450073
Cl       1.78532005       6.76817994       9.27684995      -0.66742137      -0.68615483       0.16324412
Cl       9.15036004       7.43765999       1.27749999       1.59798331      -0.48063489      -3.59925678
Cl       3.91999002       4.26678000       9.54926005       0.24919051      -2.25953302       1.79822750
Cl       2.94078006       5.60609003       4.48338005       0.07643290      -0.18092501       0.34730679
Cl       9.75987000       4.76977996       8.43469001       0.92007407      -0.17167282      -0.21364660
Cl       0.50850896      11.46330002       5.51155999       0.26904627      -0.22850108       0.37012280
Cl       7.93220999       4.39663001       1.20012006      -0.18608727      -0.12191306      -0.28206219
Cl       2.93503003       9.12181998       7.59291002       0.60654782       1.21998840      -0.38700511
Cl      11.23340001       6.14497994       3.65135000       1.21094611      -4.52299993       2.34011793
Cl       0.61909600       3.19838004      10.86259995      -1.23457654      -1.94153104       2.53647533
Cl       5.99714998      11.47560001      10.93460005      -1.77854371      -2.02704751      -1.79844704
Cl       4.07375003       1.61002995       4.78828998      -0.33000383       0.38333356       0.76294492
Cl      10.01970001       8.51442995       3.90686997       0.60338205       4.08917216       1.76156217
Cl       1.35146001       1.62811999       1.97000003       0.13116101      -0.21473320       1.28514633
Cl       8.14081999       9.22682995       9.46347996      -1.55924642      -1.81037201       0.42412144
Cl       7.68978005       2.86933994       4.76057999      -0.53941573       1.43957552      -1.46568213
Cl       5.30925999       1.54338003       1.32167000      -0.49259248       0.58102604       0.44927626
Cl       7.53251994       6.82774995       5.59309996       0.28922992      -0.23515607       0.73332812
Cl       3.20679997       4.47008998       0.83780798      -0.20516014       1.21394891       0.97562763
Cl       1.86011003       0.20133899      10.56109994      -0.24701027      -0.64886858      -0.47683657
Cl       9.53112998       0.95742096       9.78262001      -0.64972615      -0.20067018       1.11018257
Cl       6.23246999       3.08660005       7.85994004      -1.76955923       2.95448337       3.04246256
Cl       0.38082198       3.18766004       6.90823001       0.75239065      -0.08220103      -0.01647192
K        1.32144005       7.87802996       5.55888005      -0.76254140       0.14224844      -0.35377582
K       11.08219994       4.73156001       1.07301001      -0.29096762       0.19326268       0.45077984
K        5.80872005      10.18559999       8.16835996      -0.10289404       0.04994160       0.02967846
K        7.49497996       5.69921000       9.40489004      -1.37063633       0.17517020       0.54409167
K        7.74396998      10.39220002       4.41020996       0.15559060      -0.00227949      -0.25917007
K        5.85371001       5.25215997       3.97670997       0.21239285      -0.55675161      -0.44508369
K        0.00135214      10.22880005       1.79737996      -0.18418329       0.63214732       0.28650789
K        3.78233998       5.20402996       7.35649996      -0.02774038       1.13148188      -3.02334166
K        3.75723997       7.40649994       2.35128003      -0.19060186       0.17653665      -0.48278477
K       10.47820005       7.39795003       9.93248996       0.13078425      -0.64113180       0.58646157
Li      10.65739999       0.89848099       4.60123998      -0.28326318       0.19592379       0.30590538
Li       7.43792997       0.67389500       0.04865207       1.72018090       0.96727266       0.81359908
Li       2.77319001      11.50799999       5.55266000      -0.03520976       0.00404868      -0.47452651
Li      11.03029997       7.45857994       2.33712997      -0.39465043       1.63306016      -1.52508518
Li       8.66156995       7.16516994       3.30676002      -0.48222845      -1.33873090       0.65718380
Li       8.94633996       4.79677996       6.22150001      -0.17089726      -0.04394288      -0.25374905
Li       6.73801999       8.69158001       0.39195208       0.41806650       0.01800612      -0.38917571
Li       3.77006002      11.75587441      11.52230004       0.76403138       0.27120064       0.34117468
Li       9.53151005      10.60339998       9.30752996      -2.29835357       2.79033066       0.56152328
Li       0.37605498       1.53836001       0.14635207      -0.46017267      -1.42777176      -0.12024826
Li       6.99233004       1.97477998       6.69730004       2.30591457      -2.65691275      -3.23146971
Li       2.96498994       8.61888996       9.70537995      -0.00195067      -0.18574062       0.32642674
Li       4.39618000       3.28103998      11.39997783       0.53573985      -0.67106779       0.31061103
Li       3.51695999       5.95959999      10.60020000      -0.48045177       0.52220321       1.15700930
Li       2.08833999       3.50935001       4.70770006      -0.20117523      -0.36172928       0.14618642
Li       7.19538005       2.62477005       2.17851996       0.21476254      -0.28490497       0.68996591
Li       3.40640004       0.99172506       2.81593005       0.06612728      -0.27221269      -0.26137070
Li       0.95940502       4.27269003       9.52366999       1.25755808       3.48377387      -4.66210566
Li      10.80879999       2.04012003       8.60445002       0.37704343       1.10565016      -1.01514537
Li       0.73062202      11.05539998       8.48566995       2.06671775       1.61524319      -0.73134708
60
Lattice="11.77414789 0.0 0.0 0.0 11.77414789 0.0 0.0 0.0 11.77414789" Properties=species:S:1:pos:R:3:forces:R:3 energy=-471.36560147 stress="-0.01381282001165998 -0.008134184933676446 -0.0007984058707343236 -0.008134184933676446 -0.014368089304976583 -0.0021335955197580676 -0.0007984058707343236 -0.0021335955197580676 -0.012000763517819523" free_energy=-471.36560147 pbc="T T T" config_type=melt 
Cl       3.78303996       2.94068998       6.41712995      -0.38116404       0.27780618       0.65368613
Cl       2.05145994       8.20865003       2.56360006       0.46715006       0.21743447       0.43610327
Cl       6.22028998       3.16898000       1.15327001      -1.20837860       1.40821609       0.28465136
Cl       0.57504903       9.94198004      11.20010002      -0.04535478       1.41628876      -0.14268363
Cl      11.11780002       6.51487999       1.20771002       0.30054200       0.18671807       0.79357843
Cl       7.59901998       3.36240005       6.19046995       1.58656632       2.61844012       0.13529231
Cl       7.90075995       9.60540001       8.74605005       0.59921228      -0.44275772       0.16366920
Cl       2.32251001       3.73008997       1.48330998       0.36438929      -0.27594555      -0.07043457
Cl      10.51060003       3.51155001       3.54638006       1.28717485       0.36375331       0.53004264
Cl       0.05657313       2.76097999       7.14799994      -0.16188107      -0.28316679      -0.53144662
Cl       4.13185003       8.69178995      11.42970002      -1.14930974       0.23398267      -0.94746491
Cl       9.28574002       5.12337999       9.02626005      -0.38705655      -0.35426509      -0.45332464
Cl       1.22115999       5.97685006       5.59298999      -0.23819408       0.48391229      -1.03252461
Cl       9.74271000       3.55063005       0.25309402       0.71271472       0.21950433      -1.21979405
Cl       5.40131004       4.66044004       9.47732000      -0.41441637      -0.33728216      -0.30438040
Cl       9.71921999       0.37680299       9.25776994       0.27709418       0.75917409      -0.02813015
Cl       9.06827998      10.00409997       1.65370003      -0.55012778       0.09416856      -0.41885420
Cl       0.42952103       6.72657999       9.64050004       0.27477546      -0.69317964      -1.10318600
Cl      11.75369996      11.70320005       4.87044998       0.23404779       0.24023921       0.44184057
Cl       6.32740000       1.08701006       7.69036005      -0.37530474      -1.63169202       2.37641759
Cl       3.13419999       1.09541998       9.20332004       0.31325937       0.27752346       2.37102426
Cl       5.16914999       7.20829994       5.90682002       0.00314381       0.06745616       0.14617310
Cl       2.11470996      10.33259999       7.25023004       0.19014501      -2.03824412      -0.37608110
Cl       9.26482995       7.60423004       5.84431000       0.24075955      -0.46025926      -0.45151702
Cl       6.28746997       0.70239197      11.48630000       0.80844939      -1.16438307      -0.79636491
Cl       4.87353999       4.35818000       4.06645995       1.19392634       2.94611373       1.85993573
Cl       6.87970997       6.73561995       0.40331096      -0.42384374      -0.72859952      -1.33481059
Cl       7.89942005       0.62222898       4.39913002      -0.26795832      -0.86218956       0.31858191
Cl       3.34092000       0.47052497       1.32531999       0.02000644       0.65675779       1.34992756
Cl       5.81474006       9.88599997       2.61486999      -4.38410139      -4.02270734       1.14987447
K        8.53212002       2.23378003       2.19114997       0.23540618      -0.71461363       0.29077028
K        3.69655001      10.09220003       4.98463002      -0.13978726      -0.19431446      -0.81704066
K        7.45143998       9.72329997       5.67697005      -0.64917781      -0.11194858       0.08142116
K        5.27137997       8.97711005       8.53695001      -1.04651341      -0.04906048       0.40274161
K        9.28026998       7.40638997      10.99910001       0.34608192       0.25869263      -0.84152867
K        8.21446999       6.54738994       2.54719996       1.36455199      -0.37292497       1.94122185
K        0.76872399       3.31603004       9.71714997      -0.17454865       0.29590551       0.94255384
K       10.92580005       9.04533994       7.87754004       0.43413975       0.00401782       0.40470242
K       11.75275815      10.71029994       2.30572997       0.52131639      -0.17600262      -0.71605896
K        4.36789002       5.50231999       0.64446399      -0.45453436       0.40956313      -0.30185561
Li       6.35580995       1.82143996       5.90231005      -0.78024198      -0.16382216      -1.66102861
Li       3.98536998       6.11580996       4.14931003      -1.28296628       1.75095553       0.42815115
Li       0.21715214       4.03627998       1.48742999      -1.49339130       0.31039801       0.29407204
Li       7.12005000      11.02119996       2.42072995       4.42867954       3.63972015      -0.68947544
Li       2.63315996      10.97149999      11.69439994      -0.21334996      -1.29904404      -1.06885569
Li       5.85620001       8.47000998       0.67631695       0.23231619       1.26575346       0.78285297
Li       8.16832004      11.41159998      11.03999998       0.54755003      -0.17566387      -0.77367040
Li       5.97877996       4.90617004       6.72129999      -0.33241149      -0.21096052      -0.03050771
Li       2.46364001       5.35596003       7.10642001       0.34602109      -0.54217462       0.33906813
Li       4.56535002       2.48846003       8.73536995       0.95511057       0.49670481      -1.22419421
Li       9.78638997      11.58269989       5.74770995      -0.08284400       0.98293787       0.06548804
Li       4.86551002       2.90848004       3.03655003      -0.32968329      -3.76284725      -3.15457956
Li       0.94483298       2.47031996       4.86045997      -0.75930734       0.23427162       0.36399484
Li       6.78446994       3.31056000      10.61379996       0.72274682      -0.11857320       0.34600717
Li       0.56339804       7.90480001      11.30900005       0.50191330      -0.70253288       1.17876923
Li       0.29802405       7.17404000       3.37438001       0.07922809      -0.59885420       0.09625834
Li       9.35210995       2.87977996       8.45789002       0.19264301      -0.51760952      -0.20052464
Li       4.51621002       1.85985005       0.05507793      -0.50796496      -0.01987680       0.25906888
Li       9.16060002       5.47275004       6.79470003       0.18779232      -0.15397160      -0.13019174
Li       1.74583003       0.27855797       8.08163994      -1.73504076       1.06305740      -0.40743118
66
Lattice="12.79008693 0.0 0.0 0.0 12.79008693 0.0 0.0 0.0 12.79008693" Properties=species:S:1:pos:R:3:forces:R:3 energy=-569.41629319 stress="-0.012165647112156388 0.0035025058580607647 0.0071009907161915815 0.0035025058580607647 -0.013279149504364058 -0.001745599657173577 0.0071009907161915815 -0.001745599657173577 -0.005356155631402908" free_energy=-569.41629319 pbc="T T T" config_type=melt 
Cl       2.89381997       9.64167005      11.04169995      -0.05671074       0.55233305       0.57837409
Cl       9.93533006       4.08616994       5.27918998      -0.27304832       0.04282081       0.77654635
Cl      11.43730003       4.72644003       1.42654004       0.78782015      -0.01544162       0.03612232
Cl       5.52894994       3.92155998       4.58859998       0.54327127       0.50416757       0.74188765
Cl       2.88137994       1.14519995      11.37609997       1.99401627       1.55299440      -0.40699516
Cl       4.10193999       7.06855000       6.64581000       0.38851107       0.40532577      -0.09427516
Cl      11.11810000       1.25340000       0.21516699      -0.00140952       0.39691403       0.52228097
Cl       7.30397995       1.06638002       0.57105500       0.78861242      -1.12646035      -1.54276045
Cl       7.57375997       7.75405006       0.25084405      -0.17774661       0.26482992      -0.23512767
Cl       0.75861702       1.88621999       5.85343994      -0.00977839       0.48933984       0.08505209
Cl       2.91222004       3.67527995       8.50986004      -0.08111021      -0.09844024       0.03858272
Cl      10.64640006       3.92731002      10.00069994      -0.42811362       0.74208636       0.89227973
Cl       8.31704001       4.42529001       2.02423001       1.11293943      -1.29677218      -0.40161624
Cl      10.25899997      11.16800001       1.61918996      -0.10507508      -1.88234403      -0.50905921
Cl      11.21059996       7.28774996       5.17581001      -0.39684917      -0.07891555      -0.02576842
Cl       1.40974001       7.88194006       8.41271997      -0.79447954       0.02920889      -1.26308545
Cl      12.58500697       1.45262005      10.09730001       0.57787907      -0.46758937      -0.78839120
Cl       1.67477005      11.84230005       7.15268997       0.50124458      -1.90404732      -0.88657962
Cl       4.79870005      11.28389995       6.52283997      -0.16073642      -1.06709116      -0.31809097
Cl       3.97002994       9.30518000       2.08281002       0.48017635      -1.20062240       0.49107124
Cl       2.81835999       3.34823999       2.30735995       0.21939829       0.33355098       0.16375958
Cl       1.29033994      11.20359994       2.01162999       0.68528348       0.97807786       0.09553168
Cl       7.44403997       1.48892996       7.91965994      -1.57376566       0.35338527       0.71738593
Cl       8.21330998       6.65558994       8.57911004       0.20552518      -0.38838269       2.03220503
Cl      10.51629994       0.58695205       4.11483994      -0.39663628       0.49975082      -0.38317529
Cl       9.12576002      10.97199999       6.26823001       1.38658715      -0.66226339       1.36156107
Cl       6.04342006      11.19370003      11.44440006       0.63418450      -0.64603249      -0.11905484
Cl       7.60362994       8.86271001       4.68813998      -0.69102360       0.00841976      -1.06087686
Cl       1.91142004       4.49631004      11.99240003      -1.42062846      -0.16112372       0.77006824
Cl       4.46366999       6.89578995      10.30770001       2.78518240      -0.39014987       0.54308114
Cl      11.73150004       8.64373004      12.69006692       0.11162551      -0.70162179      -0.27624254
Cl       4.95738999      12.56820003       2.63470994       0.59138846       0.85488097      -0.08610724
Cl       1.36303995       8.73461998       4.31380995       2.94629895      -1.24270108      -1.02951786
K       12.23040002      10.10490001       4.99846996      -2.59413723       2.50362477       0.79238732
K        0.61293601       1.33689995       2.63779005      -0.20511302       0.01148491       0.27142476
K        1.84378005       6.08136006       1.69889996      -0.43083887       0.15794148       0.26742987
K        9.83892005       0.80245005       7.13697006       1.61810180       0.18903369      -0.60940846
K        9.39724995       9.77512003      11.41590004      -0.33191729      -0.15610937       0.40502245
K       11.98029997       3.81521003       7.46718005       0.17993039       0.00224549      -0.27314858
K        9.66743005       6.94781005       2.14760997       0.65652276       0.68356291       0.47607178
K        7.17143001      10.68690000       2.33715996       0.16866429      -0.53421935      -0.28717354
K        7.02716998       9.07453995       7.87835998      -0.56784723       0.80600524      -0.46129710
K        3.96386998       0.68353998       8.16453997       0.01436679       0.05099727       0.11270000
K        2.94267004       4.43327998       5.50542999      -0.59455014      -0.24964159      -0.13714168
K        8.05863997       5.05320999      11.64029994       0.43575503       0.06213351      -0.32670642
K        8.09213004       6.53816006       5.99994003       0.39874106      -1.09090757      -1.48731143
K        5.68430997       4.20062996       7.92153996       0.50902246       0.37510123      -0.28570425
K        6.28743995       5.90285994       2.20913003      -2.01628766       1.38545646       0.73119952
K        7.08937994      12.33240006       5.39596002      -0.61417778       0.93364904      -0.62946176
K        8.95288000       0.49879804      11.23250004       0.36899420       0.25807653      -0.69315258
K       12.25760005       7.06963000      10.06130001      -0.58901767      -0.42135466       0.67515773
K        6.31032999       2.38633004       2.42421005      -1.35790259       0.85608088       1.65956647
Li       4.59123001       9.40121002       0.09961303      -0.05129605       0.31435356      -1.62735908
Li       0.72351194       0.30232696       8.28844995      -1.10407968       1.57086143       0.88903419
Li       2.00226995      12.29869998      11.88949995      -1.16305353      -2.52514241       0.55963330
Li       3.44472994       7.96162997       9.01012996      -0.67138328       1.20879216      -1.17613257
Li       3.34789005       5.66069998      11.28240005      -0.17868521      -0.35995611      -0.00814764
Li      12.51160005       9.98100001       1.46047995      -0.81965003      -0.02969364      -0.29336280
Li      10.26869997       3.53328006       3.28374994       0.08739705      -0.23206945      -0.66771696
Li       5.27767998       0.22781306      12.21499998      -0.26939605       0.43972779       0.48397072
Li       0.42814394       7.57763997       5.78201997       0.29115849      -0.58936813       1.12800035
Li       3.68033997      11.09620005       3.21377998      -1.16085064      -0.14679715       0.13114806
Li       3.30028995       9.45655004       5.62673003       0.12949017      -0.31560053       0.66744237
Li       9.56893999       0.24037702       2.01426999       0.36618698       1.47276939       0.10333885
Li      11.90969997       3.46399002      12.37530006      -0.30870096      -0.42073544      -0.33249968
Li       1.94829002       3.06667006      10.42480004      -0.36827952      -0.88838942      -0.47686884
66
Lattice="12.79008693 0.0 0.0 0.0 12.79008693 0.0 0.0 0.0 12.79008693" Properties=species:S:1:pos:R:3:forces:R:3 energy=-569.55595043 stress="-0.016706704917860204 0.005970555827498941 0.0038293548728332567 0.005970555827498941 -0.017029432445704054 -0.0017085315466862667 0.0038293548728332567 -0.0017085315466862667 -0.020516182044640657" free_energy=-569.55595043 pbc="T T T" config_type=melt 
Cl      11.28459995      11.81359999      11.52460004       1.38868119      -1.21038740      -0.44753602
Cl      11.36699995       6.46527997       2.10493994       0.03355927      -0.09073930      -0.25743402
Cl       8.11564999       3.05317000       5.98482995       1.34646424       0.28020384       0.27519641
Cl       5.80692994       0.80764897       5.21364999      -0.43775201       0.25032934      -0.95493593
Cl       9.45072006       1.52428995       1.78030003       0.48461496      -0.67080057      -0.25454579
Cl       5.57797997       5.82817006       9.22892998      -0.82384575       0.07648210      -1.05105919
Cl       3.09168005      11.76929999       0.43820296       0.51832002      -0.20513933      -0.14303664
Cl       9.11789003      11.01150000       2.10475001       0.10792774      -0.23414850       0.93167846
Cl       0.33538498       9.84006003       1.07517001      -0.16276565       1.14437946      -0.53233364
Cl       0.06572225       3.57568994       4.13781004       0.16534999      -0.75248640       1.25926248
Cl       7.33295000      11.69639995       9.68257006       0.15026658      -0.21167057       0.16848553
Cl       3.89532995       3.74080996       6.10338996       0.08937436       0.77068732      -0.25115537
Cl       9.15582005       7.08493999      11.42710006      -0.12645419       0.16859826       0.28729213
Cl      12.16379999       4.21439005      12.34099999      -0.60748710      -0.26737565       0.26922741
Cl      11.85180001       6.55542003       8.03471995       0.54808895      -0.51644360      -0.77366990
Cl       4.28355001       2.20833001       9.58385003      -0.26939453      -0.38722058       0.38269523
Cl       6.00572000      12.45890004       1.43372999      -0.39785196      -0.53317528      -0.28906384
Cl      12.36680003       9.10927002       4.46893004       0.00212431      -0.23492685       1.09363295
Cl       6.84854004       5.96011004       3.53965003       0.05357142      -0.51648739       0.11202439
Cl       0.08431993       7.78619001      10.93229994      -0.89067886       2.62256956       2.51183125
Cl       1.82391999       6.87953004       0.88405605      -0.03043641      -1.49029582       0.58730895
Cl       0.64870298       0.89880596       7.42746005       0.10251672      -0.05795255       0.34461040
Cl       5.77509005       3.73874999       0.42538102      -0.06030891      -0.02649560       1.29299124
Cl       8.65008006       2.42284996       9.69770994      -0.13393486       1.57077271      -0.59415854
Cl      10.31940000      12.02570005       6.32155994      -1.22483980       0.03097269       0.15056704
Cl       2.70766997       3.31216005       1.89688999      -0.40970592      -0.89761707      -0.58343626
Cl       1.64294998       4.90181002       9.22838998       1.26147907      -3.15293516       0.95281310
Cl       3.90784006       8.34036005       3.27008002      -1.79316652       1.06162562      -2.71074615
Cl       4.54727994       9.10523001      10.86140002      -2.22455589       1.11011099       1.90797583
Cl       2.77318003       8.63446004       6.48085996       0.09499552       0.09752497       0.83983393
Cl       8.06828996       8.63109996       6.64026000       0.25318319      -0.21955812       0.24289200
Cl       3.17171006      11.46900000       4.63028006      -1.02202550       0.58801582       0.44889292
Cl      12.53690000       0.72540001       1.61286999       1.54290232       0.91565143       0.51313070
K        9.43667003       7.33306000       4.08059998      -0.20728103       0.36076131       0.65760444
K        7.83626998       0.33597205       3.50095005       0.14393969      -0.41193770       0.52791896
K       12.61800002      11.79790003       5.31260997       2.02731139       0.05032991      -0.82101002
K        1.72467006       2.90119998      11.66739996       0.67771454      -0.01532681      -0.25063299
K        5.45524003       8.18284003       5.15404000       1.97859370      -0.18200990       2.60715107
K        6.74137996       4.08652998      10.82220006       0.18350161      -0.30460893      -0.50766818
K        9.37630005       5.75958999       8.97935996      -0.66186302      -0.68595399      -0.54285493
K        9.81179995       9.67246001      12.77079999       0.27574906      -1.09697937      -1.02332571
K        9.79927999       0.23538006       8.86558996       1.28018033      -1.29746931       0.25609684
K        3.01593997      11.55770002      10.25370001       0.23332839       0.19053985      -0.52698666
K        7.85232001       0.33766495       6.85337994      -0.87157293      -0.26423037       0.77249385
K       11.15360004       8.96642995       9.02910994      -0.66574186       1.02883398      -0.21876605
K        1.94147994       5.98586006       6.92525000      -0.13483618       0.35646221      -1.93240395
K        6.66212005       8.27785004       9.85441997       2.21646062       0.01964523      -1.20127705
K        4.08612006       5.59684995       2.40085996       0.53467487       0.29146689      -0.08074197
K       11.24710005       2.50501002       6.27060001      -0.21724456       0.13532734       0.06656241
K        9.69030001       0.99559802      11.71130001      -1.08252759       0.98127758       1.16579922
K        3.67785997       1.01121996       6.75617003      -0.96976949      -0.33736884       0.73326999
K        9.45962005       3.97981998       1.06666997      -0.20334474       2.00816876      -0.33274211
Li       1.81448998       8.64778002      12.68699998      -0.00941409       0.67080019      -0.76201742
Li      12.45929998       8.52206997       2.54242998      -0.09974506      -1.07299524      -0.70939714
Li       1.94938000       1.69870005       3.09281006      -0.56599997      -0.02257439       0.27086213
Li       1.91808994       8.84923003       4.54020997       0.14149829       0.42959972      -0.29828576
Li       3.67747000       4.07849998       8.43131995       0.67228692      -0.00663128       0.19921614
Li       1.02975996      12.15710003       0.56425195      -0.84603646      -0.69800074       0.08245867
Li      12.42020005       6.36513001      12.71379994       0.14105995       0.28172060       0.21642314
Li       5.16049004       1.71013004       0.79511494      -0.12334969      -0.30334707       0.15285155
Li       0.04801309       4.43217006       2.33849000       0.18934516       0.76180124      -1.60889011
Li       6.48149000       3.63794006       4.82765003      -0.86182371       0.39211849      -0.10580216
Li       4.04691997      10.91050001       2.86173002       0.27953615      -0.12024387      -0.60424401
Li       5.09955999      10.28830001       0.21609300      -0.01905148       0.35314847      -0.53987451
Li      10.87489995      12.28889996       1.50771003      -0.88822206      -0.31261533       0.02795848
Li       0.85928396       6.53205996       9.80678994      -0.07557273      -0.19177698      -1.39897718
66
Lattice="12.79008693 0.0 0.0 0.0 12.79008693 0.0 0.0 0.0 12.79008693" Properties=species:S:1:pos:R:3:forces:R:3 energy=-567.88534915 stress="-0.004643434683427881 0.0018730304144006144 0.0012255230693727023 0.0018730304144006144 -0.017116278869621117 -0.006372585049269994 0.0012255230693727023 -0.006372585049269994 -0.014443077236045012" free_energy=-567.88534915 pbc="T T T" config_type=melt 
Cl       8.17552000       4.49227003       6.36872006      -0.20769796      -0.24534248      -0.26466465
Cl      11.97739995       3.23839003       8.32119001       0.37126056      -0.54773765      -1.51181742
Cl       7.58102998       9.07488003       7.45846002       0.17396748       0.73507291      -0.58038412
Cl       1.45339002       9.79825000       0.57321397       0.07297284       0.07562643       0.25881979
Cl       4.62685999      12.15689999      10.78680004       0.04762544      -0.33920130       0.73893773
Cl      11.82809998       2.83355001       2.85140996       0.13751955       0.31798547       0.05534717
Cl       5.62000999      11.58719997       2.18678997       0.13948630       0.11607119      -0.60943897
Cl      11.49210005      11.97209999      10.55169996       1.80124993      -1.90757957       4.65660477
Cl       8.55795997      10.22029998      10.42690004      -0.03238633      -0.33876418      -0.01495847
Cl       6.01066004      11.55179996       5.67918000       0.05301718      -0.68903631       0.11417138
Cl       2.57811995       3.58881999       5.71831997       0.46092060       0.11103975      -0.25148004
Cl       2.46628995       6.58088995       0.49703902      -0.15934642       1.57545834       2.66031464
Cl       4.88479000       6.69503994      10.28959999      -0.32646015      -0.25711921      -1.00184059
Cl      10.03409997       4.42209006      11.76900006      -0.36771912      -0.61517341      -0.36332791
Cl       0.68225803       5.47216003      10.54990001       0.70279329      -0.39743662      -0.21044854
Cl       4.13285005       7.44179006       6.57506995      -0.05727161       0.46584223      -0.04525934
Cl      10.58380000       7.64548998      12.62840002       1.23983470       1.72329368       0.47562824
Cl       7.71878996       2.46277997       3.53943005      -0.58413473       0.02187442      -0.09774474
Cl       0.65601200       9.46179999       4.46426000       0.60150886       0.31297570       0.15285733
Cl       4.79075997       3.90004002      11.82109997      -0.33372569       0.01198142       2.17695891
Cl      11.50689997       6.50548996       3.65304004      -0.62407383       0.34019045       1.36287785
Cl       7.27152996       6.80213006       0.31375094      -0.96502704       0.21357019       0.47938145
Cl      11.68780002       7.59503999       7.91600006       0.07443952       0.00438118       0.40085304
Cl       4.96342000       6.06661002       2.98504002      -0.11803523       0.31200866       2.76142170
Cl       8.53283999       9.60408996       3.54192002       0.35171842      -1.15227414      -0.23651839
Cl      12.62399998       2.39421999      12.05390001      -0.37000328      -0.56525059       0.84129142
Cl      11.05400005      11.79539995       8.08329005      -0.37634298      -0.63888557      -4.21947163
Cl       9.55480004      12.46250006       1.72464998       0.06116170       0.45031253      -0.06001986
Cl       1.78412005       0.95454299       2.80854999      -1.40836230      -1.30578425       0.61341036
Cl       2.27996000       9.40822999       8.80699000      -0.59760905       3.89845834       0.93940413
Cl       7.45527005       0.56856106       8.64316996      -0.01562029       0.31145773       0.18633910
Cl       1.57945999       0.28541105       7.14492997       0.53415322       0.93106121      -1.13011526
Cl       2.60359000       2.18988006       9.75170995       5.71071197      -0.95233981      -3.01061859
K       11.22770005      10.33089995       0.96663295       0.52256077      -0.25811610       0.01310247
K        5.34155994       4.93373997       5.90365996       0.04449183      -0.02885248      -0.47320532
K       10.35739999       1.33551005       9.90733000      -1.01022830       1.36419126      -0.45122625
K        4.81178994       9.55529002       4.02299995       0.02345581      -0.55046327      -0.10445156
K        8.13752999      10.21150001       0.24527396      -0.52300156      -0.64960992       1.34651882
K        1.67978006      12.40770004       9.79729996      -0.11549759      -1.06976891       0.65276966
K        3.42657006       2.87333997       2.56736003       1.09153954       1.56744730      -0.25309617
K        4.86571000       1.25961994       5.93459995      -0.10918603      -0.00862651       0.20578861
K        8.03193005       6.57969996       8.08762000       0.47986955      -0.45149775       1.28346774
K       12.50689995       5.29725994       1.65862001       0.62340972      -0.67014601      -2.16763196
K        5.35070997       3.28049000       9.30234994       0.22791499      -0.37647861      -0.40614197
K        2.97126995      12.30540006       0.82407899       0.54135979      -0.19619554      -0.93939961
K       10.81990002       8.64831004       5.34671998      -0.64560160       0.39559890       0.30599433
K        1.40478001       6.32682997       6.01239003      -0.82555534       0.21877037      -0.24343263
K        8.21734998       5.41989002       2.99637997       0.11514046       0.06976848       0.02267069
K        7.38375006       0.74841194      12.44290002      -0.28265237       0.16124545      -0.04326622
K       10.31149995       2.89322996       5.07367004      -0.75508438      -0.08102720       0.79914414
K        0.08212106       8.13380999      11.03059995       0.37076178       0.44640378      -0.31797432
K        4.43289999       8.91988004      11.83429998      -0.13193260       0.56770999       0.02002407
Li       2.46318004       7.63216002       8.51788006       1.04262388      -3.74777286      -0.23919029
Li       2.79624005       5.45039003      11.80369995       0.69487735      -1.80180868      -2.74389333
Li       0.77790601       2.51190004       6.48551005       0.08058751      -0.48599082       0.75767005
Li       7.99229996      11.00019996       8.53569998      -0.17156822       0.98134566      -0.56511652
Li       0.15837402      11.71820001       6.49561998      -0.86206067      -0.77876492       0.14021024
Li      11.53519996       4.26618005      10.08239995       0.15032854       0.73616763       1.00421330
Li       1.14130000       2.66336000      10.50739995      -4.87710509       2.39012402       2.06300658
Li       5.52813994       9.39412994       6.99165996      -0.42283062       0.30525220       0.23776041
Li      10.61380005      10.07870003       9.67613997       0.25480525       0.32280895      -0.58506275
Li       5.01902004       5.63477000       1.11504003       0.34071450      -0.29966171      -3.13361617
Li      12.12460003       0.91460901       2.03750996       0.05200992      -0.08486915      -0.47328772
Li       1.75611999       8.89037996       2.68351999      -0.46011190      -0.13548195      -0.65842194
Li       7.54966997      11.40319999       3.67856995      -0.46139196       1.17159826       0.07168282
Li       9.21365005       6.25512004      12.46320006      -0.99316846      -1.00003659      -0.39211966
66
Lattice="12.79008693 0.0 0.0 0.0 12.79008693 0.0 0.0 0.0 12.79008693" Properties=species:S:1:pos:R:3:forces:R:3 energy=-567.67569659 stress="-0.02012495099566491 0.0009732018616158801 -0.005418949881858119 0.0009732018616158801 -0.007457234860932007 0.0016370758416699026 -0.005418949881858119 0.0016370758416699026 -0.013238130474909498" free_energy=-567.67569659 pbc="T T T" config_type=melt 
Cl      10.41780002       7.83039997       2.28848997      -0.26218241      -3.24128325      -1.65716910
Cl       4.50845001       8.65354004       8.18145998       2.79947991      -0.93180027       1.62636385
Cl       0.35078502      11.33280003      12.26679996       0.36382571       0.50052524      -0.85265351
Cl       5.20470000      12.26500002       5.84538001      -0.38491691      -0.93717138      -1.11880188
Cl      10.58909996       4.18178006       0.75355700       1.41933811      -2.49258757       0.26867937
Cl       3.05117001       0.70805103       9.74505002      -0.01604671      -0.47592323      -0.55129508
Cl      12.64059998       3.29946998       4.68935005      -0.13285253      -0.76853330       2.58890104
Cl       1.98063002       5.46234006       1.02958998      -2.19598509       0.56840436      -1.62113884
Cl       9.33157004       0.22335802       7.46157006      -1.27391283      -0.66925800       0.94350824
Cl       8.36506001      11.34670004      12.74970006       0.25260545      -0.02475903       0.08006044
Cl       3.64876994       1.80332002       1.84774997       0.90003328       0.74504536      -1.06620386
Cl       7.37875003       8.55469006       9.94024005      -1.39531639       0.51668658       0.10776890
Cl       1.85155003       3.08265997      11.21220000      -0.44000089       0.59449008      -1.18827078
Cl       6.05168002       3.63889996       8.11670006      -0.16650660       0.10861441      -0.15171722
Cl       5.26549998      10.27089999       2.61468003       0.98569946       1.24853131       1.96790744
Cl       2.13853003       8.66393006       2.63804995      -0.32825105       0.20154440      -0.50894870
Cl       5.59526002       3.75565005      11.48370003      -0.16543732       1.57188102      -0.01487464
Cl       3.23780999       4.69962996       6.47701002       1.53726504      -1.18108008       0.59205984
Cl      11.92769997       7.85933997      11.49369996       0.42024171      -0.08273252      -0.19345144
Cl       1.16289005      11.08380006       7.23239997      -0.06417793      -0.27728623       0.12334008
Cl       0.41519295       5.84921001       8.11872997       0.01470475      -0.17956625      -0.30745650
Cl      11.40359994       7.11851000       5.24393001      -0.40960189      -1.30133814       0.61353389
Cl       4.05424997       9.99091002      12.12390003       1.92373465       1.48124147       1.25385460
Cl       9.93075006       2.45344998      10.64640006       0.06089504      -0.59256365      -0.82976163
Cl       0.25744104       1.05138006       1.97831002      -0.29862780       0.35010825      -0.47616011
Cl       2.66934998       8.09047002       5.70513006       0.21539122      -0.53500115       0.18514433
Cl       8.78247000       6.13807003      11.57920003       0.15318141      -0.05071301      -0.98267265
Cl       6.57109006       6.26304005       1.19880999       0.45708266      -0.55562996      -0.06503090
Cl       6.15019004       7.54470000       5.42600995       0.26497672       1.25680645      -0.44368167
Cl       5.97239005       0.08244771      10.92230001       0.44597289       0.13390766       0.11618666
Cl       9.61926003       4.16562004       7.56674998       0.00574045      -0.27106875       0.11273775
Cl       9.60864003      11.37179995       4.10970996       0.05597416      -0.18047872      -0.22884586
Cl       8.46218998       2.61467005       3.40604005      -0.27044321       0.54079226      -0.41022296
K        7.70560006       2.35420006      12.32730002       0.59604588      -0.42485371       1.06193184
K        0.24775396       9.21742005       4.88306999       0.13004515       0.96463222       0.09797751
K       10.94790001      12.29459999       9.49742997       0.77030677       0.00216667       1.04847677
K        9.98956003       8.58823999       9.55152999       1.04908472      -0.38794543       0.05500887
K        7.39875999      10.26570005       7.39757000      -0.29961842      -0.32614259      -0.52654259
K       12.38340002       9.27090999       1.17007002       0.71195004       0.18583665      -0.28889142
K        2.19938002       8.73185003      11.22919994      -2.88630988      -1.70067605      -1.16496635
K        6.63805000       0.52783000       3.20256998      -0.61881791      -0.74687799      -0.07217508
K        3.53614005       4.99004001       9.81005999      -0.39953205       0.11161384      -0.55646383
K       11.44029994       5.09476997      10.35669999      -0.22224171      -0.03684074       0.74182999
K       10.06010005       1.38193999       5.25322994       0.99009102       0.43897874      -0.96236720
K        6.23431006       0.41939603       8.06982004      -0.19329284       0.78202265       0.69217780
K        2.30442002       0.54908099       3.73633996      -0.18046906      -0.60722346       1.28427002
K       10.31210006       0.55755302       1.13515002       0.16763461       0.17284147       0.04725175
K       12.78340002       4.89256995       2.70045994      -1.08611784       1.04207013      -0.98271867
K        7.14611996       8.83269002       1.26497004       0.98180518       0.59765651      -0.46891761
K        7.40252002       5.19667998       5.69852999       0.84057237      -1.11752921      -0.25122887
K        4.26691996       5.01759996       1.65954998       2.23088639      -1.23897326       1.08365385
K        0.06747999       2.97689005       8.12216999       0.49830455      -0.65281946       0.21913081
Li       5.83832001      10.45409995      11.03330006       0.85734451       0.30843419      -0.22420058
Li       2.81847996       9.28498995       7.70611998      -3.19995490       1.34628278      -1.29142312
Li       2.25911996      12.49239996      11.59910000      -0.12787445      -0.07018238      -0.02605813
Li      11.34610006       4.68181004       6.35040005       0.33770845       1.11331848      -0.78634852
Li       1.63877005       5.52437006       5.67648999      -1.63290882       1.14719775      -0.19567769
Li       1.74141996       2.70211997       0.39972999      -0.12487118      -0.20745739       1.81017014
Li       4.62762995       6.41100997       6.36561002      -0.92465245       0.59537216       0.32013243
Li       7.82300999       2.82257995       9.00102994       1.34418100       0.26298951       0.18296580
Li       3.76614994       9.61911998       1.55261999      -1.38171241      -0.52445221      -0.83867267
Li       9.71248006       5.86344998       0.71848301      -1.17324932       2.28908233       0.39184191
Li       4.53395996       2.03533002      10.93599999      -0.75923660      -1.18978629      -0.24502232
Li       9.96817002       9.40381997       3.13189004      -1.17071139       2.82706107       1.89826355
Li       6.80005999       5.93388000      10.69180001       0.15781773       0.11834129       0.36088856
Li       4.35733001       9.66238999       5.05330004       0.24590983      -0.14394265      -0.32598605
66
Lattice="12.79008693 0.0 0.0 0.0 12.79008693 0.0 0.0 0.0 12.79008693" Properties=species:S:1:pos:R:3:forces:R:3 energy=-568.18973183 stress="-0.009463915159633816 -0.0014886497649735273 -0.0022597389157958184 -0.0014886497649735273 -0.01364538774076212 0.0030274955501335453 -0.0022597389157958184 0.0030274955501335453 -0.0033136944336068547" free_energy=-568.18973183 pbc="T T T" config_type=melt 
Cl       4.00959006       0.48592802       4.26848994      -0.07128378      -0.50829780      -0.82022839
Cl       1.76469997       5.02011002       7.77531997      -0.10994171       0.58224343       0.21378651
Cl      12.57259994       2.21281000       1.15143001      -0.32499378      -0.31195477       0.21959948
Cl       1.06381996       7.97561005      11.61370001       0.34458599       1.20287406       0.35024271
Cl       6.48052000       8.10867006       6.33493006      -0.31056051       0.30588255      -0.71951191
Cl       6.69532004       3.56522995      11.60740000       0.46310466       0.23946301       0.40309761
Cl       8.37464004       8.64671000       9.86292001       1.06903803       1.07758633       2.63517694
Cl       3.00274994       2.24374999       7.40631995       0.76926698      -1.00097002      -0.28927505
Cl      12.00389998       2.80273997       5.95787996       0.45825024       0.84976794      -1.64874848
Cl       5.83604005      10.88380006       8.15333995      -0.14947271       0.58640079       0.32453828
Cl       5.58368000       9.56398997       3.41517000       0.78939181       1.13047977      -1.29697114
Cl       0.87033894      12.70960006       5.41821004       0.25245152      -0.58946712      -0.12155096
Cl       9.14210000       4.13955001       2.93736996       0.13356540       0.11135364      -0.58959717
Cl      10.06789995      12.32250003       3.14239006       0.87082568       0.32480650       0.36305641
Cl       2.19091004       4.36710995       0.08993874       1.15679787      -0.11577668       0.07950092
Cl       2.84648999       9.31256999       7.71566995      -0.03727418      -0.03994950      -0.08218973
Cl      11.11830004       4.04112005       9.87059994      -0.17738095      -0.97168743       0.22323707
Cl       3.03687006      10.24630005      11.27740002       0.53855147       1.08303872       0.15743997
Cl       5.07210006       7.26845996      10.89190002       0.00407760       0.03840607       0.08247529
Cl       7.77379002       2.16409998       8.60882001      -0.04125890      -1.87227107      -0.76983980
Cl       9.60044005       5.37290001       7.40727000      -0.06694453       0.02268816      -0.38632620
Cl      11.53469999      10.30790005      11.57179994      -0.00232584       1.02929856      -0.31766153
Cl       8.81284006      11.47800000       7.05497998       0.09680621       0.37986468      -0.89858466
Cl       0.78103395       6.92968995       2.77380994       0.58153801       1.21452896      -0.37264833
Cl       6.97623000       1.94100006       4.48200995      -1.82289590      -0.49651993      -1.08097596
Cl       1.37763996      12.13169994       1.70450994       0.04181936      -0.67688625      -0.04579101
Cl       9.14495001       8.45501998       3.05247997      -0.01167219       0.01226137      -0.59264845
Cl       2.77675998       0.89999902      10.36209996      -0.83913361       1.00081794      -1.96248340
Cl       6.00631998       4.76872994       7.31881005      -0.70987274      -0.65610194      -0.17348332
Cl       3.65898001       3.95344004       3.81279999       1.23179851       0.30554880       0.17945920
Cl      11.78900005       0.58485103       8.01953006       0.18699064      -1.14146179       0.80923799
Cl       7.65232001      12.08069998      11.38639996      -0.11707757      -0.15149602       0.28975964
Cl      12.03019998       8.76779005       6.25934998       0.29676717       1.40253420      -0.00167310
K        7.93487004       5.76824006       4.95699004      -0.31190136       0.33896678       0.20855709
K        9.49014001       1.76215998       0.29977905       0.10909069       0.24249636       0.25357390
K        7.45098997      11.62379996       2.67193997       0.00008160       0.17980338      -0.03462888
K       11.78390000       8.44971005       8.97406000       0.09519431      -0.23890624       0.46711644
K       12.71329998       1.37185002      10.77809997      -0.34104562       0.56828637       0.20476138
K        5.49179000       0.84455502       6.61671997       0.39103271       0.14933566       0.84376237
K       11.36569997       6.85216002       4.55313000      -0.73874015      -0.78452150      -0.08034422
K       11.94680005       9.01610997       1.17971004      -0.13238708      -0.50353702       0.87279901
K        4.27319004       3.92221995      10.19070001      -0.82263552      -0.01516695      -0.68384215
K        0.37312303       5.58078995      11.11499994      -0.35956188      -1.72678773      -0.47866604
K        3.00612998       9.70874996       1.29872001       0.14144555      -0.76095855       0.21136946
K        5.10344997       5.32887998       0.74777998      -0.37890692      -0.11244751      -0.09329116
K        3.75900003       8.34966995       4.66776998      -1.52461348      -1.62884612       1.79198974
K        1.82929003      12.14940001       8.02314006       0.08760943      -0.16673090       0.78100177
K        7.38044996       6.85552995       8.57391996      -0.99006581      -2.32095471      -1.13811236
K        9.29014999       2.36964000       5.24678003       1.88449892       0.12730677       0.69353479
K        3.50959998       0.04179877      12.50800003       1.42870975      -0.27675000       2.34302682
K        8.10485004       8.61259002       0.10771901       0.14588843       0.15330834       0.00235400
K        1.01515994       4.26360004       3.31761003      -0.88628205      -0.67219574      -0.41368269
Li       0.55967105       0.75660194       3.49869004      -0.39471740       0.40052865      -1.31527069
Li      11.03399994       2.56825994       7.83045996      -0.71774122       0.92876754       1.03367325
Li       0.96111198       2.94936002       7.21062996       0.20061423       0.54150312       0.26860297
Li       6.72152003      10.28059999       5.81734005       0.39910365      -0.37659324       0.58548079
Li       7.88934002       3.97005999       9.52058003       0.33840163       0.66528572       0.32730827
Li       0.71606798      11.36040001      12.47830004      -0.39055984      -0.41568595      -0.58641625
Li       3.02408994       8.40877000      10.03910000      -0.65737048      -0.38113676      -0.19393079
Li       7.08509001      12.74680003       9.25222994       0.31251455       0.04278794       0.10096464
Li       5.34192996       2.60527995       3.25408001      -0.40051088      -0.29308304       0.37785617
Li       8.73084997      10.30240006       8.81037004       0.03669668       1.20356442      -0.39576813
Li       2.85622005      11.67029998       5.17349002      -0.14525201       0.10794024      -0.15786608
Li       4.10231998       3.88529996       6.28256002      -0.23510381       0.48146315       0.13111325
Li      11.61219999      11.84000001       5.54356005      -0.85488477      -0.41180496       0.22830324
Li       5.55989005       9.19696998       9.80747997       0.21785988       0.58775731      -0.31574928
66
Lattice="12.79008693 0.0 0.0 0.0 12.79008693 0.0 0.0 0.0 12.79008693" Properties=species:S:1:pos:R:3:forces:R:3 energy=-570.36429516 stress="-0.008850909616268944 0.002698793737135526 -0.007935840677572319 0.002698793737135526 -0.004055420123878517 0.0020209728427963342 -0.007935840677572319 0.0020209728427963342 -0.009639054046543732" free_energy=-570.36429516 pbc="T T T" config_type=melt 
Cl       6.91117003      10.49369998      12.57686991       0.08210328       0.36078552      -0.17941795
Cl       3.14452997       3.05441000       6.84872000      -0.60712128       0.18130206      -0.92307959
Cl       2.70015004       2.72474998       2.52787998      -1.02092671       1.45905460      -1.09380208
Cl       4.70446001       0.09863165       1.04715000      -0.67395969       0.70623372      -0.57479074
Cl      12.12820006       1.03788997       3.36396003      -0.31370686      -0.70226889       0.04776767
Cl       5.16142001       4.92660003       9.28439995      -0.41996158       0.40148326      -0.47392379
Cl       0.68753202       4.59421995       4.70293006      -0.31461767      -0.01313494       1.15692772
Cl       3.04781006       0.43164906       4.63855998       0.04538148      -0.06612924      -0.43513447
Cl       5.82069003       1.51331004       8.04468995       0.60048273      -0.57749104       0.21674655
Cl       2.24947994       9.61968005       1.13159002       1.23041278      -1.04325997      -0.51213177
Cl       4.81846995       5.24193003       4.10382998      -0.54562407       0.57592161      -0.26806962
Cl       7.28752000      10.27419996       8.13418001      -1.16385488       0.16123489      -1.63779663
Cl       4.69772999       5.58487997       0.75604800       0.82254011       0.07793805       1.21080635
Cl       0.22143196       5.67158998       8.86412997       0.89335668      -0.42617879       0.89454560
Cl      11.67320001       9.64174999       8.88194004       0.32981324       0.47196876      -0.38523040
Cl      11.45800002      12.35560000       0.07661313       0.25552038      -1.11987635       0.65029341
Cl       2.66628995       2.57166006      11.01619997      -0.62012843       0.15621384      -0.90810945
Cl       5.93127005       9.11543996       4.62382004       0.98469983       0.40175466      -0.57456327
Cl      12.48320005       4.74256999       0.56642102       0.37776821       0.15644583      -0.30216908
Cl       6.71256006       2.28356003       2.71701006       0.55237705      -1.92843818       0.58086833
Cl       9.57818006       6.62920003       7.77911006      -0.18741910      -0.22540269      -0.57635262
Cl       0.05982013       1.62596001       8.77383004       0.30595627      -0.57977866       0.06960186
Cl      10.52899998      10.46140002       4.64753005      -0.37763970       0.12959584      -0.00460655
Cl      10.46990006       2.58661999      12.45859998      -0.30717698      -0.27763142      -0.33158073
Cl       6.23183006       3.43597001      11.87070005       0.51361996      -2.24351406      -0.03721051
Cl       3.73799001      11.92300000      10.97970001      -0.76439013       1.53262888      -1.69427396
Cl       9.49842005       1.21062995       9.69515998      -1.30905419      -0.54759868      -0.63867589
Cl       8.69974001       6.17792995       1.62277003      -0.24150739      -0.63459408       1.00007051
Cl       4.41322998       8.76968004       9.29569001      -0.55391872       0.21500501       2.31451001
Cl      11.89340003       7.88830006       1.91266004      -0.46217488      -0.20469584       0.06563797
Cl       9.01932002       3.06754004       5.70056003       0.05506855      -0.26608934       0.12000022
Cl       1.96714005      10.34009999       5.94196998      -0.33900858      -0.63181956       0.43481067
Cl       9.16819996       6.95374004      11.46360003      -0.24766680      -0.00361039      -0.39104185
K        9.13230995      10.33999997       9.84701004       1.10278133      -0.19779024       1.78261664
K       11.42070003       5.04172002       3.24098999      -1.69430499       0.35560068      -1.01716394
K       12.75879995       7.62810006       6.99605003      -0.40034813       0.41293180      -0.48500760
K        5.79753000       3.71918001       6.10073998       0.93372051      -0.45925865       0.52715518
K        8.86614006       7.98215998       5.00682994      -0.15798351      -0.03558159       0.16515785
K        1.61642001       9.65827005       9.67983004       0.18359601      -0.00076302       0.16771311
K       11.51389999       3.78901005       7.45096004      -0.50126491       0.10732306      -0.33656511
K        6.31429005      11.46710003       2.71012004       0.33707787      -0.40563435       0.43675543
K        9.67560995       1.25453000       2.21981001      -0.53899238       0.10480319      -0.21436541
K        1.66566006      12.17380004       0.36070795      -0.03496085       1.10034738      -0.14358391
K        6.91997997       7.33043995       9.13487999       0.55409179       0.25049812       0.11273821
K        3.04770006       0.08311305       7.45173001       0.13040404      -0.05624806       0.25866156
K        2.24542996       6.14907001       0.71561496      -2.33466415       0.53684162      -0.20253091
K        8.71357005       0.03131307       6.76976999      -0.47395209       0.11569912       0.14044588
K        7.79318005       3.81696994       9.31594005       0.63250634      -0.10073846      -0.20715102
K       12.09890002      12.00260000       6.51113998       0.47027163      -0.08457663       0.24021613
K        3.97183001       7.90357001       3.10815995      -0.22873365      -0.02961473      -0.42344594
K        4.39036003       8.53089999       6.78309995      -0.38314138      -0.10726745      -1.14738807
K        0.06581306      10.41969999       2.62067999      -0.66977735       0.58081095       0.78081701
Li       5.07659999       1.50172005      10.05050006      -0.81923076       0.43902911       0.42584954
Li       3.48631998       2.35324004       0.07924329       0.86566574      -0.02127152       1.50013624
Li      10.02830005       4.70334996      12.65569995      -0.05119865       1.16968491       0.14456601
Li       4.37556996      10.33070004      11.96149995       1.15381366      -1.36871997       0.83431869
Li       0.08332256       3.39528999      11.59530006      -0.13657550      -0.07981898      -0.19337559
Li       2.67085000       4.33568995       4.70775998       1.76483534      -0.64385905       0.04324529
Li       6.16108003       5.53814000      12.17380004       1.09166597       0.45583804      -0.91817249
Li       0.84127794       1.87947002       4.39705001       1.73531965       0.65606781       0.28254569
Li       2.65716998       3.54854004       8.82297006      -0.28939850       0.64070182       0.74641907
Li       6.02154006       4.08334000       2.35552997      -0.73293171       2.05629883      -0.47074366
Li       7.25708995       0.52904698      11.57389995       0.25371639      -0.12044595       0.27474998
Li      10.91320000       0.56124398      11.12790002       0.38879270       0.67493918      -0.22361569
Li       4.23279997       1.43372999       2.78931997       0.90352400      -0.85963441       0.73010078
Li       9.62294997       8.12574994       0.93120300       0.36643264      -0.58224698      -0.43172491
66
Lattice="12.79008693 0.0 0.0 0.0 12.79008693 0.0 0.0 0.0 12.79008693" Properties=species:S:1:pos:R:3:forces:R:3 energy=-567.32266853 stress="-0.017409281821920843 -0.0033235416438302332 0.004412797383393201 -0.0033235416438302332 -0.014548873424679549 -0.0005624778681079604 0.004412797383393201 -0.0005624778681079604 -0.010893072120404267" free_energy=-567.32266853 pbc="T T T" config_type=melt 
Cl       0.79198495       4.68698005       4.82792003       2.88604134       3.97252030       1.09173228
Cl       8.31860002       2.63291000      12.45260002       0.06532225       0.10324057      -1.04809844
Cl       5.22244996       7.62919003       8.82294998       0.10633472      -0.12481201       0.37131868
Cl       0.22760395       0.33432597       9.57655994      -2.41761643       1.37647227      -0.43706023
Cl       4.20066002       2.49941001       3.63004001       0.27983743       0.55855119      -0.23639087
Cl       0.81106405       2.65791999       2.42626005      -0.42051128       1.08528726      -0.09470643
Cl      12.36810001       9.43203004       1.24509002      -1.81218976      -0.22440014      -0.11234674
Cl      10.26039997      10.93560004      10.69120003      -0.41503414       0.56547580      -0.11512574
Cl       7.67129001       2.19378999       8.97977001       0.10041314       0.30462002      -0.24602391
Cl       3.55143994       8.57136002       5.37561995       0.22763618       1.84128581       0.64724270
Cl       8.03638995       5.71938001      10.43139998      -1.38131490      -0.28486658       0.54056562
Cl      12.60029995       6.42723995      10.79370004       0.23961121      -0.20585660       0.11646280
Cl       9.98696006       5.19951004       2.03739997      -2.28384464      -0.03460279       0.80913928
Cl       4.36222005       4.22843996      12.46889996      -0.11237432       0.80362529       0.04556411
Cl       6.49183002       0.21913601       2.36839002      -1.58602152      -1.69138762       0.17375717
Cl       7.41833995       5.58123006       5.24409999       0.49202027      -0.06060245      -0.48695476
Cl       6.36734999      11.67460001      11.10749996       0.04957517       0.94086552       0.20214246
Cl       9.15313004      11.82519996       3.70096999       0.22190320      -0.07950986       0.81031234
Cl       2.22066004      10.54300001       9.16892004       1.13743380       0.41898917      -1.16933638
Cl       4.89921006       0.01521304       6.21300996       0.36911832      -1.74546196      -0.60603163
Cl       2.22822998       7.49890995       2.74107001       0.02855774      -0.49651081      -0.19509314
Cl       9.91929001       2.97409004       4.99073003       0.43778510      -0.44477613      -0.29113279
Cl      11.21590004       4.55914006       8.22341005       0.16735081      -0.75826841      -0.14408781
Cl      12.59489997       8.71203998       7.04853006      -0.58143195      -0.83613499       0.11081467
Cl       4.43305001       5.67896001       6.53010998       2.26612484      -1.41164971      -0.37299722
Cl      10.60639996       0.58113205       7.34481000       0.63073607       0.38270114       2.96941772
Cl       2.70347994       0.90843498      12.23719999      -0.98915638      -0.11117896      -0.87355325
Cl       3.04017003      12.24370004       2.41097001      -2.37587467      -0.72370840       1.34505744
Cl       0.37560597      11.84169994       4.04279006      -1.05235042      -0.53441133       0.13587809
Cl       5.42936005       7.71813997       1.01757996       0.61020067       0.59947041      -0.08512092
Cl       8.56425001       8.98355996       7.07952006      -0.40076338       0.00678879      -0.27598124
Cl       3.02379002       3.38193995       8.49511997       0.45704930       0.01011873       0.35323996
Cl       2.54964001       9.53149995      12.69879999       0.74745777       0.65713961      -0.56133700
K        5.23758997       1.77658004      11.49239998       1.05730821      -0.37833428      -0.42085341
K        2.20619995       6.75731002      12.42010003       0.60033973      -0.02884499       0.53320291
K        5.49711004       9.18224002      11.42410002      -0.68028409      -0.88376815      -0.45142341
K       10.04449998       6.84678000       9.24332996       0.91906966       1.68742454      -0.81540943
K       10.69509998       5.94712004       4.66458000      -0.20998066       0.05328920       0.65036671
K        8.22877000       2.06983000       2.18345995       1.35268588       1.09502071       1.83424560
K       12.05380000       5.16611001       0.69701600       2.05810815       0.06824069      -0.83749682
K        8.19055999      11.24970002       0.79123903       0.55959129      -0.10239156      -0.52857456
K       11.26739997       9.51421006       4.50762006      -0.01851246       0.33142125      -0.31845410
K        0.19902104       9.86606995      10.62379998      -1.38464483      -0.65966719       1.25526295
K        4.63853005      10.40159997       2.31672997       1.38837409      -2.23275640      -0.13330675
K        7.37268996       5.45838997       0.45731199       0.34781566       0.07225127      -0.48942065
K        1.18587000       3.44463005      10.55780006      -0.36249201      -0.20378011       0.28715976
K        2.11633002       6.07880997       7.41992004      -2.42056390       0.58125487       0.88818555
K        7.96904004      11.66420001       8.75805001       0.45264085      -0.04730417      -0.23005625
K        2.04051000       0.98374902       4.86980999       0.87979231       0.73651977       0.52859682
K        4.45083002      10.32209999       7.53630996       0.69309425      -0.51322023       0.05747772
K        5.37049995       5.49119002       2.49364002      -0.91298317      -1.10121700       1.29692301
K        5.16639996       2.50969004       6.82633006       0.62520069       1.48162233      -0.39212753
Li      10.91929997       0.52521302       9.43082994      -0.45806560      -0.59942172       0.77039989
Li       3.48544002       6.58846002       4.91129004      -0.80370995      -0.35057319      -1.38600629
Li       1.48118006       9.78102994       1.87338002       0.79353373      -0.13550257       0.46100308
Li       6.93963999      11.77873690       4.56233004      -0.05797519       0.69052083      -0.26795601
Li       1.96413004      12.64949996       9.99160005       3.18707057      -0.80738118       1.15138884
Li       5.21882998       4.92133000       9.03484003      -0.14130558       0.61403965      -0.08375105
Li      12.45140006       3.32649006       4.67266999      -3.18643448      -3.68205412      -0.77546786
Li       0.84017096       0.72736598       1.98253996      -0.19411859      -2.20712154      -0.19039761
Li       1.20620995      10.20130005       6.95314006       0.57162366       0.46691612       0.02385222
Li       9.71482999       3.25909999       7.23342995      -0.24662393      -0.33679363       0.15564234
Li      10.07880005       0.35100705       5.61729005      -1.01187174      -0.24475310      -4.17750100
Li       3.26368997       1.08044004       1.50830003       1.16505029       3.06731250      -0.54322426
Li       6.53213005       7.15515002       6.48362006      -0.09263749       0.25689621       0.49894839
Li       8.98350996       3.83313994      10.78340005      -0.16112090      -0.54685794      -0.72249565
66
Lattice="12.79008693 0.0 0.0 0.0 12.79008693 0.0 0.0 0.0 12.79008693" Properties=species:S:1:pos:R:3:forces:R:3 energy=-570.04749238 stress="-0.005246703534971467 -0.003599116205503428 0.0015103436715932887 -0.003599116205503428 -0.007539686232575439 -0.0011980395700953172 0.0015103436715932887 -0.0011980395700953172 -0.0153202023368334" free_energy=-570.04749238 pbc="T T T" config_type=melt 
Cl       4.21809994       3.19949000       3.71282999      -0.44566584       0.31599066      -0.12601874
Cl       1.46832001       9.09903002       0.48104003       0.34852077       0.44551079      -1.50808443
Cl      11.59059996       8.45128003       5.70294001      -1.91694596       1.14188185      -0.52721639
Cl      11.39279999       3.74575998       6.28643005      -0.59110396       0.90198763      -2.15200076
Cl       9.24314002       7.20240005       7.71910997      -0.42483530      -0.58134909      -0.12930283
Cl       4.40292002       3.25851996      11.65340006      -0.22014692       0.08597810      -0.23001660
Cl       9.40224001      11.04830002       3.02951998       0.51262024      -0.36360597       0.35650618
Cl      11.94009996       3.02907002       1.36117004       0.51311736       0.00655763       0.23624295
Cl       3.98654002      12.04249995       5.98566003      -0.27866124      -1.02176153       0.43206059
Cl       1.96128002       0.65598604      11.40379998      -0.20626005       0.08177480       1.34131084
Cl       8.82036997      10.66090006       8.77176994      -0.23548104       0.26526808      -0.33525702
Cl       1.51984002       5.42255995      12.69579994      -0.01056109      -0.29786305      -0.44183281
Cl       4.60594001      10.41780002       0.57051705       0.38083309       0.18871399      -0.25322738
Cl       6.42818002       0.15769806       2.58007005      -0.26866435       0.96641086      -0.10168357
Cl      10.27909997       8.23782998       0.71745494       0.70679274      -0.20987030       0.00626910
Cl      12.76081503      12.68380003       7.35861996      -0.09824279       0.29742247      -0.14214503
Cl      12.08819996       9.11687002       9.00837005      -0.41181418       0.64604193       1.16225965
Cl      10.14600006       2.87547003      10.30770001       0.08957500       1.18025913       0.34321448
Cl       4.57059000       6.52820004       8.29215997       0.08669083      -0.55122391      -0.22003552
Cl       4.93081001      10.69380000       9.83085002      -1.07099563      -0.56897432      -1.17545158
Cl       1.77657006      12.34450000       2.30732004      -0.10096171       0.23135814       0.11591231
Cl       7.26223003       2.33639997       7.07227000       0.90157241      -0.23547318      -0.63714029
Cl      11.64999994      12.72050003       0.17911302      -0.24928862      -0.31429884      -1.54872674
Cl       8.78452997       4.39905000       2.08870996      -1.30362262      -0.33524672       0.41676040
Cl       3.96791996       2.22572006       7.91821006      -0.03782597       1.13821037       0.14216617
Cl       0.53792394       7.97535003       3.20126002       0.29565172       0.10918065      -5.05991129
Cl       3.04531995       8.16431998       5.40759005       0.17333251      -0.26978032      -0.14598306
Cl       0.72395102       6.91839003       7.51293006       0.37629094      -1.23197782      -0.39241978
Cl       7.42737998       0.21388197      11.85159998      -0.08518183      -0.95672391      -0.26173260
Cl       6.01957998       6.03865997      11.60420005       1.30401579       0.95324514      -0.99472138
Cl       7.22159004       8.96710999       3.82560005      -2.20902271      -1.29596506      -0.16960845
Cl       0.80129997       3.99240006       9.39813004      -0.08087204      -0.11672284       0.09696704
Cl       5.09237004       6.39703002       2.19226004      -0.12532173       0.80134934       0.96550513
K       11.37590006       6.51883002      10.80050002       0.22664980      -0.01737418      -0.20638861
K        8.21220005       2.73719000       0.05527888      -0.10621103      -0.03586207      -0.45896257
K        6.95700996       5.10682003       4.55635003      -0.39276314      -0.20119090      -0.13349647
K        1.26586995       9.87339995       6.88227006      -0.19545962       0.49458069       0.14388381
K       11.32040004       0.21942200       2.79791005       0.28627429       0.62994444       0.59555628
K        5.71793000       1.16108000       4.96049005      -0.10116948       0.39467459       0.81453157
K        4.56965006       1.35234999       0.93387101      -0.15591157      -0.32250954       0.04338669
K        2.69889994      12.76089995       8.85795006      -0.31517508      -0.50921824      -0.59937916
K        5.36785994       9.23716002       7.03472994      -0.05674101      -0.10937201       0.03676424
K        6.30184006       0.17261309       8.95753994       0.40993573       0.38596334      -0.31355482
K        3.57097002       9.67591998       2.97319998      -0.16848448      -0.09237040       0.96749394
K       10.06200001      10.47689995      11.75519994       0.00955374       0.13448690      -0.50143958
K       10.60970006       0.30557794       9.84380996       0.27321679      -1.37522691      -0.74149511
K        2.74655005       4.82323003       6.16648998       0.29336452       0.34150178       0.24077334
K       10.48930006       6.07653001       2.93508002       1.59947654       1.08723754       0.43622319
K        0.41884695       1.94161002       4.98731994       0.56640405      -0.39855198       0.10186730
K        2.71466001       7.86681002      10.03450005      -0.22477241      -0.12821004       0.10481170
K        6.41924001       3.78635994       9.17011003      -0.34840274       1.01663014       0.77568370
K        7.48920995       8.23125997       1.26435995      -0.69029108      -0.95575135      -1.02302995
Li       8.36802002       9.88258003       5.03080995       1.86690938       1.41819024       0.88814420
Li      11.80830003       3.45051004       8.15919998       0.42622264      -0.39404971       2.26613106
Li       1.76646001       2.13645996       0.47415794      -0.56793108       0.13021987      -0.30592561
Li      11.20939999       6.52401000       6.79087005       0.32056091      -0.19641692       0.54933810
Li      11.73679999       2.28584996      12.04409999       0.04649763      -0.07069794       0.05500006
Li      12.63289996       9.35405003       1.76193999      -1.21551707       0.24655457       0.04031670
Li       2.09492006      11.17869995       0.37825198       0.30522527       0.92587258      -0.34944742
Li       7.46202002      11.34720000       2.20456998       0.42671611      -1.12935067      -0.27127187
Li       4.82809001       5.54104002       0.34564698      -0.82137982      -1.11540337      -0.13021793
Li       3.07241997       3.90919005       9.60089001       0.15232810      -0.39259172       0.21894249
Li      10.10170006       9.20261003       7.30830005       0.64108337       0.11771076       1.19577800
Li       0.50081606       7.61975005       4.92440000       1.27972323      -1.33253064       5.15599361
Li       5.82429006      10.53029997      11.63250003       0.64973066       0.40201843       0.47187203
Li       2.10710006       7.12941994       0.91849694       0.26279906      -0.35521200       0.86945847
66
Lattice="12.79008693 0.0 0.0 0.0 12.79008693 0.0 0.0 0.0 12.79008693" Properties=species:S:1:pos:R:3:forces:R:3 energy=-567.2882862 stress="-0.011906569352182124 -0.00016026067080656282 0.0017089208733010119 -0.00016026067080656282 -0.012478007992662878 -0.0013087096096515453 0.0017089208733010119 -0.0013087096096515453 -0.01259374522012748" free_energy=-567.2882862 pbc="T T T" config_type=melt 
Cl      11.68489999       5.47271001       2.91182994       1.46478762      -1.01472231      -0.16279679
Cl       5.18420005       0.90219099       0.42437406      -0.54760513       0.00637002       0.28216901
Cl       1.91824995       4.12733995       2.19199004       1.46993222      -2.21736530      -2.10149305
Cl       9.05380005       7.01558996       1.95763996      -1.63251954       0.19961393      -1.35965894
Cl       5.20388003      12.31890000       5.65086006      -1.42634531       0.80983405       0.99781464
Cl       9.35413994      11.27450000      12.59139996      -0.23252813      -0.53343501       0.17839675
Cl       4.97154004       8.73009996       5.36998003       0.47121078      -1.76381743      -0.39080723
Cl       4.14822002       4.67363999      10.42799999       0.18478904      -0.42535920       0.36731055
Cl      10.95539999      12.62700002       9.36972006       1.97074358       1.56433717       1.99162786
Cl      10.26160006       8.21514996       9.50526006       0.13349534       0.54078240       0.18680382
Cl       2.33387994       8.87602999       0.81088895      -0.61719658       0.14526401      -0.19716766
Cl       7.30596996       6.04291997       8.00635998      -0.36401699       0.50353246       0.95017311
Cl      10.88109995       5.31777998       7.06558999       0.02434793      -0.17454999      -0.30713586
Cl       2.22493001       2.09897004       7.01612996       0.83816284       1.52623486       0.93299450
Cl       8.62363004       5.71211997      10.92030003       1.34739355      -2.44734220       0.74481495
Cl       6.90148998       9.38838003       7.26013003       1.23158421       1.97625210       2.77788243
Cl       7.06515001       0.38003595       3.30302000       0.21092396       0.38920282      -0.71384737
Cl       4.67922005       8.89817999      11.40980006       0.70735707       0.18663646      -0.74044598
Cl       8.77562999       2.05749000      12.60490003       0.32088380       0.55584119      -0.02204821
Cl       1.28022004       0.82302304       2.80513005      -0.59861581      -1.16948198       2.12738898
Cl       0.29848098      10.18369999       4.77138004       1.12772498      -0.19968180       0.48892257
Cl       4.98663004       5.73378996       1.66779996       0.32916344      -0.23531541       0.10260377
Cl       2.74656002       6.62576001       4.62696999      -0.93186420      -0.64591652      -0.04262550
Cl       5.23961003       4.00408994       6.03875999      -0.35306113      -1.57599721       0.91302590
Cl       6.44509005       1.73058995       9.49848004      -0.29768645       0.37664640      -0.22923478
Cl       7.60624001       5.19571996       4.45035999       0.75597082       1.37118701       1.60137222
Cl       6.07328005       9.60886002       1.97363000      -0.23273283      -0.38476575      -0.27772606
Cl      10.11890004       1.23383001       6.46439004       0.12955682      -0.14762960       0.06464231
Cl       9.97088996       9.58466003       4.62619005       0.95635057       0.57386976      -0.96816203
Cl       1.49999006       8.48346002       8.04240999       0.20409039      -0.17038733       0.34804366
Cl       3.59464997      12.31879998      10.43059996       0.79527777      -0.60370818      -0.77449362
Cl       1.50449000       1.62557004      12.01170002      -0.51935398       0.11794797      -1.42608465
Cl       0.22476800       5.05200005      10.94940003       0.27571997       0.22642762      -0.78113722
K        3.28738002       9.49715000       3.61259996      -1.42596427       0.78639052      -1.24447517
K        1.55946998      12.68520003       5.90468995      -0.19308815      -1.49775824      -0.99355418
K        3.23277006       5.47695005       7.65397006      -0.22482865       0.07820565      -0.14701079
K        7.23615002       7.80197004      10.66039996      -0.63738327       1.51401787      -0.61758533
K        4.42421999       9.63229006       8.04937994      -1.21842768       0.45013756       0.47820646
K        9.61960996       2.06842002       9.75740998      -0.79294376       1.62530373      -0.03238141
K        8.50163998       8.01916004       5.95888999       0.03014920      -3.05778695       0.40488017
K        2.69736999       7.06897003      10.83469994      -1.09028025       0.39733241       0.09561471
K       11.05499998       4.31596994      12.68419997      -0.71110489      -0.30572587       0.63880446
K       11.44710005      11.79409997       3.38128996      -0.57072756       0.69182684      -0.54830820
K        0.44959100       2.11102994       9.35131998      -0.00894348       0.36200958      -0.05069768
K       10.57630003       8.43431002       0.05739181       0.19020188       0.25284692      -0.54210472
K        8.31452996      12.08559999       9.77761000      -1.17643286      -0.55733963       0.34081207
K        7.45108999       4.17287995       2.18795003       0.07088936      -1.45251238      -2.65460519
K        7.10917004      10.45320004       4.57744997       0.14786211       0.80749270      -0.11605916
K        1.16998996      11.51970003      11.21549997      -0.93493874      -0.51457286       0.47264605
K       10.45380003       3.39141996       4.62514996      -0.12528910      -0.20314225       0.29773139
K       12.52940002       7.45446005       5.72753996       0.37006634       0.26737725       0.26231256
K       10.90959997      10.65190005       7.98565999       0.12582330      -2.69849858      -2.45819794
Li       3.27463995       5.02339003       0.59632706      -0.43483622      -0.30662703      -0.15392915
Li       5.74252994       7.24014999       2.96451001       0.45801742       1.25583008       0.15814241
Li       1.08902001       5.39172996       3.30770999      -0.53902213       1.96546112       1.64220182
Li       4.51746996      10.85230000      12.29770005      -0.21633119       0.44407429       0.30804799
Li      10.57179996       6.01761005       9.18387997      -0.23912769       0.14936463       0.25662990
Li       4.80793002       1.46318006       7.29109994       0.02713659      -0.13137365      -0.37614365
Li       1.95294996       1.55461997       1.14688006       1.00312032       0.98866525      -0.26548700
Li       4.62560004       5.40044998       4.68630998      -0.28063644       0.65181909      -0.80282694
Li      10.27699997       6.72338994       3.45796001      -0.63545918       1.13670767       1.46845410
Li       7.36096004       4.62643996       6.58114000      -0.06698089      -0.71590717      -0.54180200
Li       7.46583005      11.15929994       1.22377995       0.28304322       0.77815691       0.11780522
Li       6.32494995       4.12403000      10.36409995       0.59552102       0.01208519      -0.24076455
Li       4.62498995       1.37401998       3.12544998       0.79349163      -0.78614288      -0.10304524
Li       4.56940001       1.37708001      11.02060002       0.23148339       0.25177722       0.38556689
66
Lattice="12.79008693 0.0 0.0 0.0 12.79008693 0.0 0.0 0.0 12.79008693" Properties=species:S:1:pos:R:3:forces:R:3 energy=-567.65620951 stress="-0.012674057614110458 -0.002203019925629413 0.0022865231725643217 -0.002203019925629413 -0.010187924438598825 0.0006280901786580357 0.0022865231725643217 0.0006280901786580357 -0.015208593000085799" free_energy=-567.65620951 pbc="T T T" config_type=melt 
Cl      11.23920000       7.42534994       7.20858994      -1.73368302       0.99859146       2.05051077
Cl       5.52752001       2.05366000       7.73807997       0.94437637       0.29476793      -0.56156750
Cl      10.42610002       1.54635003      12.07719997      -0.21778793      -0.22570509       0.47164313
Cl       5.23148999       7.08658006       5.52644001      -2.07436410      -4.03917960      -0.96546846
Cl      10.47790000       6.18658001       3.49354996      -1.30689086      -0.54568650       3.87608418
Cl      10.47320003       1.45422994       6.03477997       0.08364748       1.40891152       1.96837327
Cl      10.79150002      11.20939999       3.29917005      -0.02174229       0.27277859       0.61820834
Cl       4.66641999       6.50545005       1.05877005      -0.02689065       0.65419448       1.71019247
Cl       0.80242997       5.22114997       7.29618004      -0.11994721      -0.39998272      -0.38959869
Cl       4.40706005       6.16508998      10.68949997      -0.71380451      -0.40477439      -1.54623594
Cl      11.76330003       9.21684002      12.19909999      -0.96945962      -1.45785079       0.20632288
Cl       0.36781310       0.90366505       8.86450996      -0.36171725       0.46039516       0.07286560
Cl       1.23960998       7.78822006       9.75864998       0.15942381       0.59244011       0.06237388
Cl       1.15971005       2.26041995       5.33614999       0.78874258      -0.28823054      -0.32155985
Cl       7.53740006       9.34606006       2.57600997      -0.01256637       0.04935498      -0.64129549
Cl       8.50444996       6.01441994       9.04493000      -1.40231342      -2.22250886      -0.53818150
Cl       0.80126902       7.75283999       4.46097998       1.57114049       0.34378458      -1.07914798
Cl       3.29908999       1.94395994       2.74127004      -1.54546061       0.38743360       0.35423426
Cl       7.00409999       8.67339997      10.46109997       0.31858514       1.43936826       0.12366359
Cl       9.18402002       4.68340995       0.48893599      -0.10829948      -0.15247955      -0.03479416
Cl       8.22655002       7.63061996       5.09407995      -0.64975871      -0.31110886       2.59069686
Cl       4.56732994       8.88297002       8.05593000      -0.42350230       0.61785910       0.02250360
Cl       4.62664998      11.04519996       1.51551006      -0.36649575       0.21315743      -0.35188201
Cl       7.71198999       0.09921309       3.31340005       0.50756828      -0.75335485       0.33902137
Cl       5.50644002       2.05652000      12.17829998       0.36550983      -0.77897154      -0.13739116
Cl       4.18649001      10.61759998       5.28117999       0.08161725       1.25946878       0.32223312
Cl       9.89621005      11.61440001       9.99469998       1.24261785       0.53027965       0.41392014
Cl       1.45747005       7.98033995       0.80640999      -0.52913831      -0.50924737       1.00205182
Cl       1.14997002       3.58773999      11.99409996      -1.39209772      -0.42107534      -0.41824175
Cl       6.52347001       2.74279002       2.77658002       0.22399450       1.14290076      -0.07582688
Cl       2.86552996      11.55020004       9.66183004       0.47183779       0.23559007       1.42583016
Cl       7.49943000      11.13850006       7.95678995      -0.71280753       0.24661701       0.15663712
Cl      12.77896019      10.41420000       6.98312002       0.81350456       0.77793217       0.07603161
K        3.26851004       9.03333003      11.93309995       0.56177694      -0.27162043      -0.60927184
K        7.82796998       4.35943999       6.57687003      -0.04022833       0.19560101      -0.00265814
K        5.57440002      11.45260004      11.41920001      -0.24479600       0.15252056      -0.14980767
K        0.26746003       2.79384996       2.76391003      -0.09644413      -0.16374989      -0.75138877
K        0.70557001      10.33410003       3.17787002       0.47290412      -0.13126771      -0.07292805
K        2.27474996       4.80310995       4.79881005       0.64329481       0.64398300      -0.02269079
K        7.33704999       5.71923996       3.04844994      -0.28475530      -0.01850290      -0.45354636
K       12.57729595      11.27859999      10.84620002       1.13017738       0.89444333      -1.01059157
K        9.76289999      10.57480000       0.71987994      -0.91219826       0.42100492       0.18799086
K        8.57167005       1.44651995       9.57665996      -0.30729708       0.08805821      -0.22522158
K        9.87125006      10.54329994       6.66262001       0.39184969      -0.20740286      -0.41425122
K       12.20640006       6.26147006      11.19549998       0.16118884      -0.45691986       0.13094563
K        9.81156998       8.05916001       9.60595002       1.03591203       1.74084219       0.47219322
K       11.38079995       6.43367004       1.37223999       1.97566991       0.77900635      -3.67134036
K        4.82442002       0.74265806       5.16470003       0.16577829       0.39045063      -0.03346351
K        3.62911004       4.15943002       0.09631306       0.50407790       0.10312103       0.33264740
K        3.76240999       2.03096003       9.77398005      -0.94274607      -0.03899494       0.43530914
K        4.07397996       8.59689006       3.56952000      -0.59038314      -1.02983702      -1.69197063
K        6.71576999       6.55961006      12.11130001       1.20941751      -0.85598290       0.25049055
Li       5.65954005      11.07429997       3.50452001       0.88740742      -0.01617693      -0.26305996
Li       6.25163001       8.46439998       6.22193002       1.69810176       2.89956792       1.22520794
Li       4.96890004       1.50308002       1.67161998       1.22889021      -0.23407438      -0.74018978
Li       2.34037999      11.32530005       7.67173997      -0.39762519      -0.51316641      -0.93997211
Li       9.32903006       8.46282002       3.68847996       0.79010243       0.55226593      -1.06395824
Li       0.50645304       8.45350998       7.78882004      -0.18631896      -0.17699929      -0.20312732
Li      12.19670006       1.73594005      10.76289998       0.55671722       0.56332080      -0.05768838
Li       2.06105997       6.04536006       8.74352994       0.91886577       0.18798271       0.57985077
Li       5.65262995       7.19570994       8.50449997       0.22549259      -0.72534686       0.98098687
Li      12.35819997       6.96487995       5.75790004       0.14854343      -1.74107139      -0.99247738
Li       9.81108997       0.44613998       4.57542005      -1.43885121      -1.89144525      -2.62728164
Li       8.24018003      10.53600000      10.02449999      -1.57743090      -0.86822436      -0.76663809
Li       8.74912995       2.03044996       1.17313005      -0.50153739       0.58093735       0.02133401
Li      12.48009999       1.81164994       6.65788001      -0.06939459      -0.26799217       1.34436021
66
Lattice="12.79008693 0.0 0.0 0.0 12.79008693 0.0 0.0 0.0 12.79008693" Properties=species:S:1:pos:R:3:forces:R:3 energy=-569.37200915 stress="-0.015290019622036417 -0.0025706468104268573 -0.0009482249024713768 -0.0025706468104268573 -0.017018994045977783 0.0012539648525122207 -0.0009482249024713768 0.0012539648525122207 -0.009182039095449021" free_energy=-569.37200915 pbc="T T T" config_type=melt 
Cl      11.47970006      11.39389994       7.74978994       0.03353366      -0.43350591      -0.46646518
Cl      10.12660006       5.99370998       3.65460005       0.56954078       0.41116463      -0.20872273
Cl       9.96091996      12.15679997      12.55560000      -0.49104527       0.18232231      -0.00135751
Cl       6.07055001      12.42609999       6.55501995      -0.06660287       0.32389020      -1.34774438
Cl       0.50665806       6.77461999       1.89731999       1.98556857      -2.61292969      -0.35318109
Cl       7.94420003       8.53089999       8.83682006       0.71741173       0.19167991       0.09444796
Cl      11.36219996       1.63803001       5.00848997       0.25692204       0.37118339       0.27339333
Cl       5.05357003       2.81001996       8.09069998       0.39259604      -0.18469539      -0.58391522
Cl      10.95249997      10.99370004       3.66910004      -1.43897658       0.69075306      -1.05532750
Cl       8.12960999       2.62320999       3.00445997      -0.66238798       0.13224734      -0.00741216
Cl      12.16859998       5.48997995       7.86389005      -1.64287558      -0.78253696      -0.21869480
Cl       9.61616994       2.05817005       8.32672006       1.14349730      -1.15625635       3.35057003
Cl       2.24421005      12.51900001       8.71086994      -0.24069823      -0.07589666       0.90628422
Cl       6.10063997       9.01645006       5.33955996       0.75028168       0.54021003       0.20820706
Cl       9.73478994       4.91899005      10.81879995      -1.19291628       1.63400741       0.93010906
Cl       0.55340302       2.81717000      10.02699994      -0.08220525      -0.10335548      -0.27356612
Cl       5.80432000       5.81254006       7.51479997      -1.20938013       2.41342408      -3.23617105
Cl       6.54443999       6.17574003       3.74746004       0.80796075      -3.10935000       1.41611704
Cl       1.28890003      10.18369999       0.78827096       1.28483756       1.82274101      -0.90925420
Cl      10.97580005       8.87991997      12.20340001       1.95986656      -0.61034009      -0.11159946
Cl       2.36964997       9.83533998       4.74579002      -0.98250225      -0.01982570      -0.29975013
Cl       6.25670000       1.02515002      11.81510001      -1.94102840      -1.17472970       0.35845297
Cl       1.95214994       4.48161001       4.97010998       0.15555303      -0.03476347      -0.09440343
Cl       6.88624995       9.35444000       0.14582196       0.39651161      -0.23820368      -0.06718710
Cl       1.83341995       7.10394004       8.06320999       1.29033558       1.38388197       1.20103928
Cl       9.14497994       4.53465996       6.41006005      -0.15569620       2.65614057      -0.89637966
Cl       4.31778997       8.86347998       9.63372996       0.34579784       0.15158296       0.26627357
Cl       5.93841997       4.73059003      11.35059999       1.09241887       1.03035963      -0.49997423
Cl      11.55869995       2.67677002       0.07059936       0.18105140      -0.23449708       0.56090336
Cl       4.15071000       6.69696997       1.68719997       2.10892347       2.39933954      -0.38171258
Cl       3.36844001       3.66931005       0.67528001      -0.87991886      -0.66225405       0.26850326
Cl       5.11326994      10.33760004       2.71410006       1.94213795      -0.78053427      -1.74668380
Cl       3.31304001       0.22396401       4.14097994       0.00668343       0.70838072      -0.50515679
K        8.53257996       7.47681994       5.83336999      -0.26586746       0.21968153       0.38803582
K        8.48213995       2.04488997      11.35920005       2.09424213       1.11535680      -0.40620817
K        0.92210106       0.57530003      11.91389998       0.70030250       0.55403444       0.33504190
K       11.85950003      11.87589999      10.48990005      -0.27501161      -0.65562373      -0.46311318
K        6.19089999       4.30881005       1.36513995      -0.08491206       0.20193836      -0.32794950
K        3.88996003       7.50464004       5.49520994      -0.53624587      -1.03449428      -0.09482967
K        2.49646995       9.78941998       7.68450000      -0.08975914       0.86178525      -0.17198322
K        5.32256001       2.98349996       4.58871995      -0.17113596      -0.28006559       0.51655097
K        1.58899998       5.43768998      10.82649996       0.10773190       0.13716600      -0.10280203
K       11.05069995       5.64607004       0.87183794      -0.69804445      -0.40408165      -0.62185121
K        4.29810999       2.80062999      10.72530006      -1.24342087      -0.98438222       0.00520392
K       10.27359998       0.90896705       2.24330003       0.44647631      -0.21400574       0.34188363
K        1.07214004       2.28157999       2.70289006       0.09656634       0.07968719       0.40197865
K       10.87200006       7.71081995       9.44275005      -0.26587711      -0.16902855      -0.20020139
K        3.55455995       9.07976994      12.44290002       1.03064854      -0.66769184      -0.30175862
K       12.36180000       9.01889002       2.26939002      -1.77023820       1.11601358       0.88052184
K        6.27998001      11.82459998       9.13612997      -0.09777948      -0.42757751       0.74790141
K        2.48999996       1.80711995       6.72788003      -0.01258710      -0.09182109       0.02236608
K        7.18043001      12.18919995       1.16776001      -0.03655879      -0.48736401       0.30716681
Li       2.76482005       5.44713994       1.94096003      -2.39988040      -1.35025864       0.42668883
Li      11.10840000       0.79837999       7.45471995       0.48889613      -0.26941362      -1.02416375
Li       1.23325996       5.65939002       6.90347999      -0.07467679      -1.43411879      -1.38302845
Li       6.37051003       7.83090006       2.80561006      -0.81328425       2.70185656      -1.32635620
Li       8.70993997       2.75950001       6.84228006      -1.92141797      -1.68681689      -1.71727076
Li       5.14244003      11.17630001       4.53039997      -0.11985394       0.77304020       2.25717978
Li      10.88729994       3.60178006       9.98514003       1.83813745      -1.32935293      -1.22644836
Li       5.92353998       7.76167001       8.46648003      -0.06612314       0.41249992       0.25878393
Li       9.03534997       9.11138998      12.18820002      -2.32490335       0.49428647      -0.02256602
Li      11.12189994       4.87832001       5.42345999       0.39531620      -0.28400502       0.30703454
Li       3.30178000      10.69540004       2.12785005      -2.59950530       0.54111892       0.36891874
Li       6.43490006       4.77815994       8.88822995       0.91182407      -2.34350799       3.03586260
Li      12.16970005      10.38279995       5.05432004       1.48375498       0.02656495       1.82195337
Li       8.43409003       4.64548006       3.94067004      -0.16200927       0.04894564       0.39781569
66
Lattice="12.79008693 0.0 0.0 0.0 12.79008693 0.0 0.0 0.0 12.79008693" Properties=species:S:1:pos:R:3:forces:R:3 energy=-567.21201124 stress="-0.014477049258413447 -0.0017481738302993469 0.0016583415495560827 -0.0017481738302993469 -0.009307421170928124 0.001433067434758564 0.0016583415495560827 0.001433067434758564 -0.013331607347593623" free_energy=-567.21201124 pbc="T T T" config_type=melt 
Cl       3.90808998       3.69369998       3.77376004      -1.15047889      -0.21750364       0.44195080
Cl      12.15199998       5.86312997      10.86519995       0.80607371       0.20374085       0.79062418
Cl       4.55056994      10.93910005       9.09679994       0.02714989      -0.48162720      -4.22365654
Cl       6.21177994       5.55021000       4.72154999       2.20267151       1.82867704      -0.79097610
Cl       5.71599000       5.20007997      11.94359997       0.19520971      -0.48463759      -0.11218618
Cl       8.39077000      10.99420000       3.49136004       0.29169330      -3.96174055       1.65732703
Cl      11.72279996       9.70009005       0.12269901      -0.38345608       0.02939795       1.00193564
Cl       1.86616999       2.83191006      12.10009998      -0.66294440       2.33682049       2.12030613
Cl      11.50930003      11.69649996       9.87343998      -0.56041272      -0.80056126      -0.01683765
Cl      10.28929994       0.80006406       1.98628004      -4.26791318      -1.10768494      -1.52429471
Cl       8.57824006       1.69375003      10.44579995       0.63395186       0.51414936       0.07158492
Cl       0.23269900       3.27691006       7.20889000      -0.18465538       0.73787197      -0.03196624
Cl       4.56038006       8.38216995       2.57293996       0.97824077       0.86296019       0.80285102
Cl      11.96449999      12.42659995       5.52770994       0.09513223       0.40059068      -0.01372550
Cl      11.13260000       7.69544997       3.47073001      -0.39239283       0.64298436       1.22571009
Cl       8.38570001      11.39920002       0.01861303       0.79507027       0.18497307       0.45806685
Cl       1.00355000       7.49015002       2.06674004       0.88689009      -0.64108059      -0.75014555
Cl       7.88546999       9.12296999       6.16129005       0.39059943      -0.82722088       0.02270622
Cl       9.76662997       5.11229994       5.26167997       1.09605561      -0.40376379      -0.35566643
Cl      11.92680006       3.93545999       1.80828001      -0.76541673       0.42944677      -0.12003943
Cl       2.86475002      10.82999997       5.35965996      -1.26413799       0.10235258      -0.17387711
Cl       9.04137998       6.51193002       0.65940994       0.62117022      -0.67269612       0.07586821
Cl       0.20938204       0.80110594       1.30761001       2.61673751      -0.88914449      -1.29730814
Cl       1.56463998      11.58530001      11.42680001       0.73819370      -0.11590843       0.28932956
Cl       6.68553998       0.53488604       6.79109004       0.20698394       0.28939142       0.24990312
Cl       0.95847198       7.52089995       7.26266004      -0.45603029       0.26572606      -0.59634990
Cl       8.16556995       6.22259997       8.29107000      -0.68858512      -1.23114138       0.82392720
Cl       4.07412001       5.27558996       7.49808998       0.90989879      -0.37401040      -0.64164045
Cl       4.53545001       0.27864304      11.77949995       0.29965525       0.76056109       0.65770722
Cl       7.11860004       1.58590005       2.18937997      -0.18215135       0.56606355       0.04772855
Cl       3.35935995       1.66691003       8.82578005      -0.52006763      -0.01591203      -0.60968579
Cl       8.75857006       9.41340997      10.13639995      -0.35174167      -0.56035658      -0.44711004
Cl       5.08398998       8.20884995      11.02210004      -0.21345061       0.24134745       0.58951831
K       10.52819996       4.39520005       9.30356001      -0.48904414      -0.43595012      -0.42142606
K       12.44140000       0.90568895       8.57742994       0.66323806       0.60242350      -0.78651084
K        1.63394998      10.09960006       8.28292003       0.07649635       0.81000221      -0.31451671
K        4.84383000       3.13642003       1.17033005       0.21073502      -0.49148318      -0.48198841
K       12.72427477       3.98877995       4.34504002       0.43326113       0.53069356       1.31436435
K        5.96881996       8.47010998       8.32821996       0.36162256      -0.42415439      -0.00215546
K        3.57749999       6.80490001       0.76622904      -0.18262312      -0.89541056      -1.08004160
K        1.92279004       5.76907998       9.09645998      -0.28913029      -0.82494038       0.72172305
K        7.16076998       8.54695001       0.83139402      -0.99702695       1.20596477      -1.46575020
K        6.98139004      11.89810000      10.35669999       0.57640146       0.29703926      -0.30242808
K        9.11597996       3.94882998       2.84536997      -0.86884037      -0.40461632      -0.89952768
K        2.65932997       1.94097000       6.03309002       0.21247455      -0.44974552      -0.06424504
K        5.84027997       2.77533004       9.54640999       0.22526614       0.09494049       0.09585604
K        1.12043003       8.75670002      11.54479994       0.07648040      -0.36765361      -0.02651793
K        9.40366994      11.41959995       6.83553994       0.02184766       0.51242762      -0.02429074
K        5.37380004      10.20349994       5.90381997       0.41073036       0.91936597      -0.40841656
K        3.29486005       6.81169001       4.73258004      -0.11571520      -0.00651739       0.25509845
K        8.25896995       7.86408996       3.14375003       0.07917216      -0.07125254       1.85635361
K       10.16059995       7.34384000       6.81203995       0.97899963       1.20536813      -0.04113730
Li       8.37679005      12.61148999       2.68182006      -0.56836860       3.55409045      -1.92076863
Li       4.38079995      11.07950003      10.91820002      -1.23638487      -0.01866753       3.53362738
Li      10.56170001      11.26669996       1.28882994      -0.56414490       0.06724838       0.01133159
Li      10.47060006      10.44029996      11.21710001      -0.81235946      -0.31651785       0.16801711
Li      11.82610000       1.42547002       2.71929002       2.21603566       1.41976617       2.69811499
Li       0.01661304       3.57891995      12.74320001      -0.02286219       0.28373576      -0.61305931
Li       7.11289004       6.55321003      10.61780002      -0.06211917       0.09148641       0.17346822
Li      11.39990002       6.69805994       1.62894995       0.04113858      -0.17189875      -0.89921052
Li       2.59054002       1.76350998      10.78380000       1.55409933      -2.68563288      -1.81281334
Li       9.77516006       1.28153998      12.37590005      -0.61673117      -0.57238163       0.17657329
Li       0.18181313       9.20014998       3.06098998      -0.45449686       0.06948293       0.34923456
Li       8.31654005       4.29555006       6.43129006      -1.18051860       0.20339189       0.54984767
Li       2.05953002      12.38580494       1.25370005       0.05742316      -0.03139751      -0.86859907
Li       5.28487006       4.11110997       5.59280995      -1.48259923      -1.31127234       0.90821391
66
Lattice="12.79008693 0.0 0.0 0.0 12.79008693 0.0 0.0 0.0 12.79008693" Properties=species:S:1:pos:R:3:forces:R:3 energy=-568.5336347 stress="-0.014588376622503266 0.006948872930401957 0.000151128519076191 0.006948872930401957 -0.014761157442299387 0.0020446082270032836 0.000151128519076191 0.0020446082270032836 -0.02008476475204849" free_energy=-568.5336347 pbc="T T T" config_type=melt 
Cl      11.75220003       3.46986003       1.83422995       0.27813996      -0.91385565       0.76181060
Cl       6.59529005       2.22779000       4.34262998      -0.09743993       0.57661785      -0.17103516
Cl       5.91813003       5.80136996       5.20835004      -0.39177287       0.14807522       1.25708067
Cl       6.64171999       7.61717004       2.55535001      -0.64709139       0.76647114      -0.92866256
Cl       5.18336998      10.95319997       7.58350998      -1.72915732       0.87225491      -0.11794113
Cl      12.23969994      11.77619998       4.63880005       0.50494745      -0.01557475       0.30358995
Cl       6.95278999      10.72580003      10.11340005       1.11167772      -0.25373804       0.02824964
Cl      10.05469994       6.69322004       3.58384004       0.49098372      -0.34568633      -0.33329492
Cl       3.54996000       0.54420797      11.72409995      -0.32204044       0.05374577       0.65803687
Cl       1.88875997       5.41708004      12.32540005       0.57694333      -1.41826990      -0.27619603
Cl       9.80667995       1.51997994       6.91601005      -0.12914100      -0.47310528       0.57195886
Cl       8.14189000      11.52629998       4.56504998       1.56149944      -0.95501812      -1.47415019
Cl       3.20308005       2.96624000       7.14993000       1.05476784      -0.25231377       0.75340917
Cl      12.23639997       7.68843998      11.21059996      -2.51330754       0.13645016      -1.86330482
Cl      12.53970000       3.91400002       9.78974997      -0.04922042      -1.75294301       0.58634330
Cl       0.19267396       3.79089006       5.88209997      -0.43822645      -0.01868796      -0.45671971
Cl       5.48845998      11.89970004       1.97197995       0.14639554      -0.14935213       0.50683925
Cl       1.33714002      12.31960000       8.87033994      -0.22234514       0.09250970       0.08552015
Cl       4.81870004       4.97323000       1.29300002       0.75869512      -0.90276329       0.63465920
Cl       8.67102997      10.30959998       1.41242004       3.34828622      -0.72428567      -3.51030210
Cl       7.81988000       2.53233003      11.99850001       0.20417441       1.50536115       0.89200564
Cl       0.71273194      12.39429999       0.93259494       1.30828977      -0.09111399       0.47775958
Cl       0.69944598       6.86941001       2.03508995       1.03857122       1.61942731       0.29502331
Cl       8.85377998       5.24265996      10.14539995       0.68485759       0.31554162       0.56927813
Cl      11.32959995       0.80559795      11.97829998      -0.97479646       0.02671692      -0.76956590
Cl       3.04948006       1.19801994       3.64010005      -1.45743066      -1.36753786       0.80198285
Cl       0.65766601       7.11296997       7.69597002       0.45418866      -0.42173274      -0.35119453
Cl       6.14982002       3.05468000       9.00002004       0.68164909      -1.19416420       1.50772772
Cl       3.85214997       8.14345001      12.76770006       1.44891161       2.65586799      -1.63627509
Cl       1.70712999      10.02180000      11.94380000      -0.29544423      -0.43142841      -0.69041989
Cl       9.71054006       6.00782000       7.15990000       0.65781112      -0.59785901      -0.58749144
Cl      10.21329996      10.05829997       6.69394997      -0.01058676       0.07893488       0.93681913
Cl       5.93246004       6.66482004       8.37523005      -0.55905565      -0.09778468       0.28364682
K        2.68076999       5.39923006       6.12460002      -0.31098784       0.79069230      -0.33425810
K        6.93852994       0.05289673       6.23672994      -1.23661416       2.13265110       2.08552788
K        1.08874003       2.41023995      12.11459998      -0.06014618      -0.01662880       0.14191820
K        2.91798006      10.37920005       2.42946998       0.05360415       0.39066529      -0.70930772
K        4.19091998       0.65445506       9.15442005       0.26220548       0.10103650      -1.05586871
K        0.18504506       9.66551000       8.59307004      -0.18201733       0.04690274       0.55796292
K       10.87019998      12.33640004       9.19897995      -0.00661648       0.26839871       0.08244315
K        1.42619996       0.95515001       6.06282006      -0.35467538      -0.18506065       0.44726091
K       12.02300006       9.43893003       0.66050004      -0.33373403       0.23471306       0.22935796
K        4.37459996       9.88512002      10.24529999      -0.72779397      -0.27459581       0.36132612
K        9.90348006       3.50084005       4.86267006       0.09626988       0.79376533      -0.33782574
K       11.14510000      12.29910005       2.11941000      -1.39686981       0.48609261      -0.21996117
K       12.16600001       8.41145004       5.18491003      -0.46899698      -0.39621188      -0.25260244
K        1.27726003       2.88319997       3.32651999      -1.27321328       1.61387688      -0.55140242
K        7.08387994       7.53675006       0.05388425       0.11988290       0.24701437      -1.58164842
K        6.90380997       9.56967005       6.30272999       1.22264843      -1.20201044       0.17649315
K        7.70875998       0.03831309      11.72800003      -0.04842334      -1.79329603       0.65373868
K        3.48961995       4.85520998       9.96485994      -0.08140771      -0.03088215      -0.03594318
K       10.18139995       4.14299003      12.63839995      -0.41952307       0.11322180      -1.14618661
Li       8.11172996       6.33574005       8.43664996      -0.41115650       0.40353529       0.07424589
Li       5.75938996       4.57258001       3.55419006       0.04080454      -0.85746095      -1.31943850
Li       5.68760994       4.21908004       7.50812994      -0.58537591       1.40272107      -1.93820646
Li       7.24635996       4.07299999      10.75809998      -0.92074323      -0.22730822      -0.24769263
Li       9.59113002       3.53648001       8.58020999       0.37186011       0.24645982      -0.20696346
Li      12.07680003       5.47967997       2.39210003      -1.32022118       0.18836914       0.77784457
Li      12.17259995       5.70520002       9.07931001      -0.37609017       1.87935394      -0.69953234
Li       0.98607196       7.25888005      12.27010006       1.83479459       0.30056520       1.22801520
Li       7.48757998      10.62530000       2.74468998      -3.13544545       0.70648177       1.96829710
Li       1.56167997      12.08739994      11.36719999       0.08757264       0.43384334       0.28897289
Li       6.78591006       7.64176998       4.40865996       0.65634261      -0.80048214       2.10494220
Li       3.57354006       6.63076003       0.98465802      -1.12716842      -2.71624083       1.53884163
Li      10.20880003      12.08629999       5.61040003      -0.00461931      -0.17700989       0.10013518
Li       4.87038005       0.95001594       3.39970001       3.56212085      -0.57393229      -0.92567312
66
Lattice="12.79008693 0.0 0.0 0.0 12.79008693 0.0 0.0 0.0 12.79008693" Properties=species:S:1:pos:R:3:forces:R:3 energy=-566.56949124 stress="-0.01955945289873999 -2.4963914390430237e-06 0.001515135615190722 -2.4963914390430237e-06 -0.022737665708671913 0.003295824593522867 0.001515135615190722 0.003295824593522867 -0.01281586779723905" free_energy=-566.56949124 pbc="T T T" config_type=melt 
Cl       6.25709995       7.28730999       0.60741696      -0.62652401      -0.12717796       0.34105660
Cl       6.68091994       7.84466002       4.28840001      -0.70684930      -1.12707813       0.25268849
Cl       2.64426005       9.10382004       1.17251996      -1.16000477      -0.45064635       0.59167620
Cl       9.19247005       0.42439696       6.74576006      -1.13267236      -0.20409110       0.30293632
Cl       3.20165997      10.05909999       5.96681000       0.13626341      -0.30839721       0.14134479
Cl      11.57420000       7.34489006       1.48299996       1.36781071      -0.55990012       0.63130894
Cl       9.63096002       3.45278002       7.19083001      -0.53464717       0.77364455       0.02442828
Cl       5.51388002       2.64553995       5.07265003       0.70113799      -0.46270917       0.89983429
Cl       4.82220005       2.51224998      10.42550004      -0.17864197       0.54287488      -0.91172555
Cl       6.96156003       1.64646994       1.00245005      -2.48749441       2.12592624       0.27102643
Cl      12.44980002      11.99689997      11.34440000      -3.01686354      -1.16359583       0.40693757
Cl       0.37384695      10.65180004       4.04886995      -1.21905670      -1.16382783      -0.98037926
Cl       0.60159095      12.07070005       7.36129002       0.83335417       2.37014189      -0.94884916
Cl       6.26149002      10.27899995       2.19815998       1.13740408       3.35939769      -0.42052754
Cl       9.79226002       0.21178299       3.30900000      -0.53119651      -1.01339195      -0.84982830
Cl       3.17443000       0.23782796       4.21915998      -1.29725755      -2.10437088       0.41956411
Cl      12.19230001       2.56628004       1.45717000      -0.36566697       0.49944653      -0.16630806
Cl       2.72760000       1.61103999       0.32285901      -0.27162348      -0.04688195       0.75440029
Cl       3.61377000       5.99832004       7.11861999      -0.52105726      -1.35619794      -1.02861741
Cl       3.67892001       4.11330001       3.07082006       1.42751096      -1.38040851      -2.91906051
Cl       1.49629002       6.10824994       3.74384006      -3.11259323       1.23926521      -0.81464587
Cl       7.14162002       6.70809005       8.54352994       0.37840746       0.21655386      -2.44926704
Cl      11.05159999       6.39595003       4.98606997      -0.69233346      -0.02006217       0.42005901
Cl       0.31714005       2.61408005       5.25029999       0.22435252      -0.19951206      -0.36496077
Cl      10.02859998      10.18050004       7.16050996       1.81617487       0.84817592       2.31280360
Cl       9.19038999       7.49575003      12.52769996      -0.45700813       0.05474470      -0.51792835
Cl       8.01449997       1.34690999      10.68519994       2.68949247      -0.08484353      -0.56319883
Cl       3.66850006      11.81030002      11.02330001      -0.16766193      -0.17096576      -0.52748258
Cl       0.08400094       5.05493998      10.50129998      -0.55752354       0.21858672       0.11635754
Cl       6.60927998      10.37070002       7.14885998      -0.64124183       0.41056269      -0.59232296
Cl       0.56214402       9.09746004       8.87458996       1.64607085      -2.93590374       3.67013747
Cl       4.25110003       6.18690002      10.63600006      -0.18098914      -0.22067321       0.20221663
Cl       8.46778001      11.28510004      12.06010001       0.57492916       1.06567230       0.11276029
K        4.92747999       8.22473997       7.57449003       0.02733492       0.93385630       0.38486607
K       11.52040004       9.94426995       1.31908004       0.13775901       2.06626709      -0.07219963
K        0.94546599       5.82605995       0.67524100       0.36513362      -0.42477680       0.03981810
K        5.63406002       4.31379998       0.83452401      -0.36087830      -0.07392901      -0.03306212
K        9.32012995       6.17197002       2.26772002      -1.00677185      -0.38021927       0.72027011
K        8.97627000       8.98884994       5.26736005      -0.43407029      -0.89335216      -1.32003045
K       10.73680001       1.62262998      11.69200003       0.32151322      -0.00551015       0.04651535
K       10.15630005       2.75939999       4.15479003       0.38614613       0.65485904       0.52682887
K        3.92317000      11.55109995       1.11845998      -0.03357529       1.07612615       0.15961305
K        3.76056003       8.77400999      11.63040003       0.58116841       0.17607407      -1.27278119
K        7.15058997       5.90704998      10.89239999      -0.00061754      -0.80494297       1.76313951
K       12.28129996       3.81955994       7.76763006       0.39551071       0.17539809      -0.01391931
K        6.82667002      12.37360000       4.75771998       0.25140071       0.05025824      -0.26804221
K        3.74145996       0.16836500       7.16680997      -0.06199408      -0.08224052       0.36351058
K       11.15609999       7.71802000      10.69730000       0.82515380       0.11185907      -0.94384250
K        7.20882004       2.20720001       8.29748000      -0.18784063       0.47504582      -1.10025166
K        0.97003601       7.83869997       6.69098996       0.40703237      -0.89612642      -1.41231455
K        2.55051996       3.93783000      11.30119995       0.14869258      -0.25812551      -0.19689335
K        3.15772998       8.05560002       3.63290998       1.32834405       1.29432383       0.84401314
Li      11.24719994      12.77409996       6.21854999       0.46063560      -0.37618341      -0.15135173
Li       5.67592006       8.52519996       2.47014002      -0.23313553      -2.63712408      -0.07840539
Li       8.37120002       0.41157195       0.98764399       2.28426141      -2.59483196       0.26561867
Li       4.05279996       1.74785005       3.51965005       1.60547181       2.81634715      -0.84049361
Li       6.23750003       1.39071002      11.38970006      -1.66025088      -0.66148034       1.64779858
Li      12.43929999       7.38535994       3.78910994       0.13685414       0.27507500      -0.77581724
Li       1.71920998      11.59739994       5.25513004       0.26169707       0.21484076       0.53864607
Li       6.16625004       5.36730997       6.83582005      -0.31511827       0.21640187       0.02483221
Li       7.96783994      11.46889998       8.17221006       1.67313008       0.46524906       0.22076422
Li       8.04432006       9.38140994      12.52030000      -0.78134981      -1.11357070       0.62374843
Li       1.39183005      12.64599995      11.16069994       3.58850958       0.89527723      -0.03918495
Li       1.26669005       1.94695998       2.50248999       0.00709823      -0.03018689       0.00023425
Li       2.67312996       4.83181001       4.48062006       0.12401445      -1.05536671       3.62261705
Li      12.54050002      10.47600004       8.05721004      -3.31526082       1.76635035      -1.09067908
66
Lattice="12.79008693 0.0 0.0 0.0 12.79008693 0.0 0.0 0.0 12.79008693" Properties=species:S:1:pos:R:3:forces:R:3 energy=-571.025878 stress="-0.010823973090645164 0.0037380819706441196 0.0009672236193449267 0.0037380819706441196 -0.005658285011969137 0.0013431761592710416 0.0009672236193449267 0.0013431761592710416 -0.007716620839109925" free_energy=-571.025878 pbc="T T T" config_type=melt 
Cl       8.04003001       4.08257004       5.87610001       0.52498711       0.73994945       0.74157076
Cl       6.33274001       9.43371999       6.57052998       0.31685549      -0.56310692       0.42762818
Cl       4.88956006       4.88304006       5.54424995      -0.20965287      -0.00308973      -0.26669991
Cl       1.66255999       7.32596994       9.50194001      -0.32368708      -0.26377342       0.74487156
Cl       5.88240003       0.56240596       4.02100994       0.45596070       0.22237651      -0.23200369
Cl       3.61619001      10.45569999       2.74329996      -0.16264150       0.52822033       0.15739029
Cl      12.33790006      11.31639994       0.59426696      -1.41622321       0.18264607       0.64934283
Cl       4.24502998       0.49556599       0.34217000      -0.22633244       0.60127120      -0.38605120
Cl      10.44470001      10.76409994       3.76028006      -0.31361782      -0.05944420       0.40859887
Cl      11.88119995      11.81009998       8.31140994       0.07033313       1.37707243       0.01669260
Cl       0.63218906       7.92449997       1.68743006      -2.24926532      -0.85699657      -2.38420222
Cl       7.87472005       4.52860002       2.56921997      -0.40236228      -0.41795774      -0.79603130
Cl       9.94089004       7.07359006      11.61889995       0.57145231       0.28038856       0.18201885
Cl      12.43730001       3.76230997      12.18449998      -2.81191781       1.59865340      -0.28192853
Cl       5.52508004       1.52631001       8.54231002      -0.54357916      -0.19974840      -0.12249858
Cl       0.79691003       3.07854003       8.06761004       2.34008449      -2.51332692      -2.71526759
Cl      10.77239994       3.59481995       9.14550996      -0.55574282      -0.08383554       0.20260644
Cl       8.69228006      12.35599995       9.57761000       0.56340848       0.50693224      -0.31375489
Cl       5.63288999       8.72297000      10.93529999       0.26999026      -1.87625821       1.93165659
Cl       0.50388901       3.69838000       2.87799006      -2.19237551      -2.40899163       0.83881386
Cl       1.07145001       7.74051994       5.13889999       0.15355274      -0.26284475      -0.10454145
Cl       8.90861005       0.58973799       1.77448003      -0.04839441       0.31539604       0.24699830
Cl      11.24879998       1.61888006       6.12153999      -0.16705032       0.06011335      -1.48072797
Cl       3.87853004       7.43023997       1.21472994       0.09653068      -0.37453528      -0.38443837
Cl       2.81448996       4.00647005      11.21150000      -0.47880439      -0.00218277      -0.44537270
Cl       0.83298396       0.00641308      10.82179999      -0.61143485       0.99084361      -0.07513936
Cl       6.93516001       4.87007999      10.94050005      -0.26540962      -0.09776646       0.15007551
Cl       3.36512994       4.04182006       2.43745995       1.57720969       0.30640680      -0.62170244
Cl       7.10311994      10.13029997       0.89597603       0.38173792       0.17125727       0.64972350
Cl       3.80526996      11.16890005      10.08690001      -0.08778822       0.30654489      -0.31651791
Cl       2.02014998      12.31799996       6.00947005       0.54323765       0.36481698      -0.81495747
Cl       9.17404004       7.20030005       3.50081997       0.07433382       1.15059015       0.12142723
Cl      10.61959997       7.65900999       8.29688002       0.82225003      -0.36489345       0.55220187
K        5.38750002       8.33904996       3.70246004       0.18070688      -0.10402176       0.27320765
K        0.18242897      10.26379996       6.47728001       0.24716734      -1.35541597      -0.91105656
K        5.12488001       3.67250003      12.65639995      -0.00551869      -0.57573386       0.76839513
K        9.37244000       8.71120005       6.19583006      -0.63726005       0.63951046      -1.25757903
K        1.94183998      10.50420000      12.64619999       1.26802600      -0.61221068      -0.02064738
K        3.88554003       4.82469002       8.50179000       0.21259296      -0.24647246      -0.26346803
K       10.63969997       0.70786506      12.30619995       0.36488530      -0.22960722      -0.68373585
K        0.04394086       5.61373005       7.40366000      -0.29601995       1.21658339      -0.94922241
K        8.54201994       5.54650996       8.85908006       0.37937716       0.62295680      -0.39393864
K        6.48063997      12.23139995      11.16260004      -0.87233247      -0.19434635       0.53006078
K       10.48039995      10.16699998       9.92571997      -0.32734973      -0.64676946       0.79298055
K       12.46809994       0.36152703       3.56377994      -0.15070430      -0.19126222      -0.06319518
K        6.80683003       6.97639001       0.50600398       0.48700276       0.25287426      -0.29856579
K       10.66640005       8.62169003       1.43449995      -0.18967755       0.45999596       0.01336108
K        5.04119997      11.85079996       6.26063999      -0.59737029       0.35165533       0.60256222
K        8.38649006       1.43080004       5.42965998       0.08338694      -0.86349681      -0.77780267
K        3.34386002       1.88702001       4.28878998      -0.41364451       0.37598829       0.41633135
K       10.37640005       3.53987002       1.46270005       0.02322919       0.14533294       0.15855182
K        8.12901000       2.34186006       8.40629001       0.13169047       0.14258914       0.42462957
Li       5.11540000      12.53760000       2.12231003       0.05498173      -1.08339748       0.32611522
Li       2.72893004       0.35298696      11.52720001       1.22150687      -0.18021731      -0.61849087
Li      12.20700004       7.26688997      10.95789994      -0.09144443      -0.32232403      -0.24997472
Li       5.43440996       9.52224006       9.19750000      -0.60333315       1.09798239      -2.10427520
Li       1.09191006       5.46653994       2.34747004       0.97919896       1.82238469      -0.62343013
Li       2.03559004       8.05360003       2.92033996       2.35666731       0.73678608       2.18028672
Li       9.12915004       5.32073999       4.35705004      -0.42125160      -0.75189885       0.27819472
Li       0.23324194       3.93734999       9.61268004      -1.06029881       0.96176739       3.53460478
Li       8.43054999      11.15780005       2.54781998       0.24195608       0.24109195      -0.29676973
Li      11.20010006       1.40205995       8.13867995       0.28620942      -0.17156668       1.19755840
Li       1.18962005       2.72271994      12.17850002       2.68173312      -1.55403799       0.01325187
Li       5.82361001       4.25044006       3.27012006      -0.92382297       0.08117927       0.89416270
Li       3.56148003       7.35161995      11.64900001       0.13888483       0.18267436      -0.09654590
Li       1.15078001       0.45455304       7.69360999      -0.44481967       0.39669917       0.92466189
66
Lattice="12.79008693 0.0 0.0 0.0 12.79008693 0.0 0.0 0.0 12.79008693" Properties=species:S:1:pos:R:3:forces:R:3 energy=-566.26039451 stress="-0.018058251071940746 0.0012652540261059338 0.002084328666793638 0.0012652540261059338 -0.010993359084971116 -8.810466222476538e-05 0.002084328666793638 -8.810466222476538e-05 -0.02347172113348067" free_energy=-566.26039451 pbc="T T T" config_type=melt 
Cl       4.06760001       9.74200995      10.80289995       0.87671330       0.11882321      -0.23093282
Cl       4.29819006       7.48879005       6.64089004      -0.20830603       0.30499056      -0.14241973
Cl       1.14044997       3.00190004      11.13729997      -0.39183543      -0.13350976       0.10168359
Cl       0.28386703       4.24211000       6.60535995      -1.07071439       0.88085023       1.79176241
Cl       7.78485997       2.19685999       0.16516006      -0.97127354      -0.49496719      -1.33091448
Cl      11.66409999       2.91508003       3.23348004      -1.84604122       0.55328381      -1.88036541
Cl       4.01457001       0.11488094       8.57704995      -0.52409434       0.06937347       0.48684884
Cl       3.62622997      11.90050006       3.30382002      -0.92985564      -0.65044443       0.11834047
Cl       1.61345003       2.10061996       4.86896994       0.40379523      -0.59108543      -0.58353843
Cl       1.48163999       9.66125001       0.36599703       0.44569467      -0.16471933       0.30201594
Cl      11.89179999       7.27600994       0.88371903       1.27050889       0.05383150      -2.98821240
Cl       8.74026002       8.20749995       2.07924005       1.14594266      -0.61120173       0.38906562
Cl      12.04980002       7.16954002       4.74883995       0.08170881       0.25280885      -0.23531334
Cl       9.88218994      11.06659995       5.52525002       0.86450439       0.42146137      -0.15849916
Cl       6.63803005      10.74069997       3.33541997       0.26696004       0.05647336      -1.02384117
Cl       7.22796999       0.61413802       8.82272002      -0.74611096       0.53438623       0.47449026
Cl      12.59370001       0.20309302       1.57611001       1.28913565      -0.29067675       1.55791695
Cl       1.67079003      10.25940004       6.79429997      -0.35302867      -0.14130934      -0.38313456
Cl       6.43218997       4.99956005      10.86519995      -0.53620352       0.56650883       0.35421891
Cl      10.16450003       3.63611006       9.95502999       0.02642052      -0.25786735      -0.01219759
Cl       7.28963996       5.21287005       7.46984000       2.36591976      -2.94688716       0.27342887
Cl       8.33449004       8.31905995       7.14039000      -0.21067810      -0.03027187       0.05154820
Cl      12.09400001      11.89709994       9.98834996       0.72168864      -1.14830729      -0.67225677
Cl       1.77932006       6.84931998       9.62099999      -0.80743424       0.05911771       0.86665457
Cl       7.34094995       4.82320995       3.24184002      -0.96735760       0.53584430       1.00370204
Cl       4.22756998       4.25271004       7.17712006      -2.04782646       0.39796971       1.20317592
Cl       9.78055006      11.87719998       1.76012994       0.33841944       1.55714762      -0.79912125
Cl       2.37167004       5.04529996       3.28043999      -6.31539643      -2.11521240       4.25174423
Cl       3.84863999       2.45173995       0.47052300      -0.01569216       1.03357568       2.23816172
Cl       4.88407005       7.55300000       1.70125001      -0.58647256      -0.11195726      -0.06564691
Cl       7.60075997       2.22358999       5.83706006      -0.11126297      -0.37504250      -0.44483574
Cl      10.11579998       7.54792003      10.14819996       1.30606594       1.67606565       1.69181803
Cl       7.54646004      11.42780006      11.58050002      -0.17689899      -0.08259205       0.52138201
K       11.62509994       9.41017996       7.35702005      -0.36154226      -0.45156990      -0.05619437
K        2.06547996       8.48114003       3.36312995       0.04406643      -0.33982680       0.26862020
K        3.02067998       0.02978504       5.91370005       0.63063192      -0.53037590       0.83865829
K        4.17702995       1.75205006       2.79248999       0.94940221      -0.03833357       2.86486555
K        8.77803005       4.26686995       1.17087004       1.43734718       1.72194315      -0.41292714
K        9.15992004       4.79678998       5.55614000       0.65766322      -0.18378572      -0.47319648
K       11.68630000       0.68069303      12.04799995      -1.05352950       1.66246931      -0.78727680
K        7.40550996       8.59136998      12.57800005      -0.41293123      -0.10722867      -1.01257623
K        4.19371999      10.59409999       0.87112898       0.70181047       0.11103757       0.10172827
K        6.82367995       7.98689999       4.19921998      -0.24880276      -0.63152869       0.53546861
K        7.06735004      11.43730003       5.95653994      -0.05664537       0.48543167       0.89233496
K        9.69519004      12.38620003       8.63226002      -0.32750748      -0.17832530      -0.42768300
K        1.30422998       2.86529002       1.40298006      -0.74858369       0.10275609       0.21780342
K        4.00272997       2.30141998      10.96969995       0.41423209      -0.25351587      -5.22388671
K        0.42632596      11.64410000       4.16479994      -0.15136498       0.05660835       0.11088595
K       12.10699998       5.47722005      11.24750000       0.01253974       0.07399690      -0.37171398
K        0.05140131       1.69231997       8.62203997       0.18430586       0.57020991      -0.11639078
K       11.60799998      10.09289997      12.54229997      -0.92524099      -0.18687670      -0.05936607
K        3.54408999       7.11607003      11.74950004       0.56760367      -0.80726405       0.43382745
Li       9.20231995       6.35456003       8.94596005      -1.47624947      -1.51672199      -1.57501916
Li      10.69450000       1.09278004       2.86901999      -0.22362659      -1.03947584      -0.24800181
Li      11.27849997       7.03993001       2.61733001      -1.31004882      -0.12359149       3.27197410
Li       1.99511006       9.63555997      11.03860002      -0.76717154       0.09745291      -0.56862292
Li       8.05830001       0.33171308       0.78850796      -0.06111405      -1.98072595      -0.05306597
Li       5.13500004      11.45849998       9.85291995       0.71658731       0.48547896      -0.25378305
Li       2.34951006       4.44027002       6.40948002      -0.08497711      -0.19402785      -0.81398744
Li       3.67766006       5.53354004       2.37806994       7.02962504       2.57573060      -4.33913553
Li       8.88385996      10.30520006       2.56806003      -1.16561340      -0.87180090       1.34620957
Li       6.18395996       6.63837998       7.73036000      -2.36370326       3.28518466       0.34797531
Li       7.01061001       2.98641994      10.43769999       1.06505511      -0.63679019      -0.32108034
Li       5.89502998       3.51536997       6.68064994       2.89788858      -1.20081338      -0.70845610
Li       2.18354999       7.26849001       7.66375000       0.70956044       0.64701289      -1.15095060
Li      12.66953192       3.38858005       4.79549997       1.13333853       0.47080556       1.01623400
66
Lattice="12.79008693 0.0 0.0 0.0 12.79008693 0.0 0.0 0.0 12.79008693" Properties=species:S:1:pos:R:3:forces:R:3 energy=-566.8227966 stress="-0.013427289532697194 -0.0034688741664604373 0.0008766763799728017 -0.0034688741664604373 -0.01898116761609907 0.001511297792368835 0.0008766763799728017 0.001511297792368835 -0.01407746299452181" free_energy=-566.8227966 pbc="T T T" config_type=melt 
Cl       8.64998004       5.29889004       2.68239996      -0.31300728      -2.57467415       0.82779021
Cl       2.71062998       0.72467699       6.47086003      -0.46864496      -0.41622825      -0.61414215
Cl       2.40842005       7.10396000       0.05754721       0.05382027       0.00161788      -0.19998576
Cl       1.19497002      10.90889997       2.04567004       0.69635672      -1.27867497      -0.26486082
Cl      11.36699995      10.43670006       7.27791004       0.33494257      -0.47665159      -1.31765980
Cl       1.07685996      12.06300003       9.40655999      -2.91573894       1.55056241      -0.48479291
Cl       0.77449796       6.00150004       3.62230994       0.55709953       0.29155842       0.29813836
Cl       4.65892998      10.29359997       2.72143006       1.35004155       0.26520360       1.30215488
Cl       9.00524006      11.79430000       1.05898006       0.92529911      -1.25835016       0.19694826
Cl       2.73131002       0.54604398       0.22372701       0.15224589       0.44776613      -0.16081794
Cl       2.95697000       3.59483005       9.66056996       2.57091332       2.21587316      -1.56442088
Cl       7.36399001       7.31439005       0.77331206      -0.17583368       2.31669906       1.52020992
Cl       5.70142004      12.64319994      10.46350003      -0.61550105       0.69564330       0.70850656
Cl      11.12689997       6.97310001       1.39518003       0.13458350       0.16803522       0.53440745
Cl       6.63752996       0.76964399       3.51466000       0.85596979      -0.07468193       1.08903097
Cl       8.51025001       1.37556004       9.03655006       0.03669848       0.33496606      -0.44253468
Cl       5.28629999      10.31620005       7.58318997       0.55791791       0.84290257      -0.78464399
Cl       8.29588994      10.11909995       9.81688004       0.16300960      -0.20944174       0.08879278
Cl       3.41396006      10.04330001      11.43670004       1.19925839       0.42377746       0.91828244
Cl       4.69176994       8.10258006       5.17984004      -1.14417302      -1.38105700       1.18018139
Cl      12.75549128       2.63921001      11.07320002      -0.75389951       0.19770797      -0.03933591
Cl       8.85591004       8.21676995       4.96089997       0.06081411       0.36380598      -0.37180361
Cl       1.74082995       8.83235006       8.50405001       0.73935045      -0.51881356      -0.45429051
Cl       4.11192994       4.99318995       5.35314994       0.50161642       0.94922208      -1.61868366
Cl       6.70947995       5.74390001       9.01268005      -0.98377753      -0.75969684       0.14899979
Cl      11.87309998       0.18911499       4.78061001       0.65412644       0.24462814       0.49449933
Cl      11.51330000       2.29993006       2.03429006       0.12469773      -0.06186242       0.83289160
Cl      10.41479998       3.34899998       6.33731004      -0.54615885       0.04072864       0.09540626
Cl       5.67843996       3.65754995       0.91068706       0.11927859       0.18525237       0.30082065
Cl       9.54004002       5.32333995      10.40509998      -0.90776351      -0.85534321       0.77401906
Cl      12.22449995       8.95158001      10.64490004       0.09196823       2.57731401       6.13473659
Cl       1.45598999       4.67908000       7.29357994      -1.34716778      -0.00252346      -0.99349828
Cl      11.48010001       6.78732004       8.74573994      -1.69483178      -3.56588590      -2.07298299
K        1.28965005       5.82679001       9.96131005      -0.67439595       0.17460953       0.44417984
K        4.52230001       7.77488997       8.08875998      -0.36823706      -0.74384083       0.36037621
K        6.34925994       3.77523001       4.06237002       0.95048363      -0.35515981      -0.50865490
K        4.76374001       6.51916000       3.13993002       0.20830829      -0.27622788      -2.31518695
K        8.80607001      12.10660003       6.15285000      -0.04188145       0.55105385       0.43994869
K        8.07495001       7.87729994       7.89054996       0.76956221       0.42773568      -0.17071090
K        5.46662001       3.15207996      10.82220006       0.59542362      -0.60591871       0.11756587
K       10.52529994       3.80170996       0.05511312      -0.07028701       0.84801527      -0.64279302
K       12.67120000      12.78864344       0.90629098      -0.76920644       1.11080670      -1.25429859
K        3.87728006       3.23536005       7.05353994       0.39795412      -2.21811823       1.88741123
K       10.54769998      10.80009994       3.94708004      -0.51080563      -0.80873489      -0.83928622
K        6.46792995      10.64340002       0.40738205      -0.11950222      -0.03321322      -0.78373316
K       10.73649996      11.97510003       9.39767996      -0.11200162       0.47152497       1.13643069
K       11.28819997       6.03415006       5.62480998      -0.33119764       0.32183155       0.00482331
K        4.08463001       0.60451399       2.81438995      -1.10832399      -0.19715168      -0.37378537
K        0.93869006      10.01729994       4.43731001       0.13452510      -0.50624816       1.69298475
K        9.91439998       7.83114001      11.88409997      -0.35569121       0.51870013      -0.73050860
K        8.17078000       1.48370994       1.28680003      -0.01754119       1.33907548      -0.16988799
K        1.11736003       3.02771005       3.96516996      -0.57293813      -0.47583286      -0.21584976
Li      12.31440006       3.13039002       7.23718998       0.47955290       0.00613345       0.59965551
Li       3.17523999      10.00730001       1.44903998      -1.49671166      -0.10180838      -1.82561716
Li       2.76742999      11.42350004       9.86470001       3.06665913      -0.76014536       0.73373237
Li       8.63289006       3.73301006       8.56960995       0.49494049      -0.01376356       0.39091905
Li       2.00699998       8.67701995      10.90529994      -1.16311667      -0.33888231      -0.06195252
Li       0.94758902      11.86430002       7.23706004      -0.14447227       0.32386906      -0.10784078
Li       2.12943999       5.75917994       5.48374005      -0.54343752       0.51135061      -0.12275820
Li       0.46952396       7.22960994       1.06849998       0.00551248      -0.10371002       0.23320429
Li       5.45893994       9.84417997       5.03401003       0.72352053       2.24107166       0.00778871
Li       2.02414995       2.44831003      10.70689999      -1.84851653      -3.18834044       2.65430206
Li      12.37430001       8.33756004       9.01535996       2.00833651       1.80003950      -4.55971262
Li       6.55818998      11.33770004       9.09376997       0.22601817      -0.13865882       0.04223616
Li       8.79223996       7.26284997       2.65495998       0.40631764       1.38164866       0.07187179
Li       7.06208998       6.21930000      12.03979997      -0.23236130      -1.84109020      -2.19621638
66
Lattice="12.79008693 0.0 0.0 0.0 12.79008693 0.0 0.0 0.0 12.79008693" Properties=species:S:1:pos:R:3:forces:R:3 energy=-565.31338577 stress="-0.014859064219844096 0.0009681018184034658 -0.00022463677557614753 0.0009681018184034658 -0.0048062213429097625 0.004983616354364919 -0.00022463677557614753 0.004983616354364919 -0.02166373229979415" free_energy=-565.31338577 pbc="T T T" config_type=melt 
Cl       8.51962003       1.02812999      12.67970004       0.19937253      -1.75281315      -0.52098781
Cl      10.55890001      11.84469998       4.09337997       0.73747967       0.09264127      -0.37433236
Cl       0.33010102       8.96878000      11.67629994      -0.19262715       1.70097199      -0.67513040
Cl      10.82359994       7.85582999       2.42682998      -0.09554690       0.38775651      -0.13007737
Cl       5.09892995      11.50730005       1.55696005      -0.53038597       0.55669846      -0.70187301
Cl       3.84075004       8.82432006      11.74250002       0.89744905      -0.44849753       1.14186340
Cl       0.12467700      10.41539996       8.61301004      -0.60768008       0.64236409      -1.07752506
Cl       0.99079598       2.93210006       1.33391001       0.34468423      -0.14689147       0.85978579
Cl       1.43362997      11.28980001       2.78445999       0.14500110       0.21731477      -0.43501531
Cl      12.42630002       0.88989102      10.75990006       0.14883583      -0.70632385      -0.22026748
Cl      12.70170001       2.53240997       5.44275000      -0.05376511       0.27803251      -0.19838066
Cl       9.81116006       9.89680005      10.29979996       0.14935360       0.22742901      -0.27332137
Cl       7.00560998       8.00219002       7.94782000      -0.27933768      -0.40168693      -0.33970413
Cl       4.69258006      11.87340004       9.56199996       0.13449075       0.46246905      -0.18714080
Cl      10.04939999       3.60719001      10.09629996       0.15357966       2.12804024      -0.26152398
Cl      12.22259998       6.74215005       6.82020002       0.13027467       0.17685249      -0.31883316
Cl       4.13131997       6.41109004       4.39526004       0.56652295       1.74599909       3.46068130
Cl       6.33936003       9.64066002       3.60313005      -0.42425708      -1.28186747       0.36094052
Cl       2.23808001       0.90944194       7.66457995      -0.30893376       0.42889686       0.70791537
Cl       6.41241995       3.66319000      12.68530005      -0.71925916       1.81352813      -1.18553936
Cl       3.24039001       8.83803001       6.85809002       0.81767779       0.08209805      -0.32039721
Cl       3.51891001       1.90675000      11.77469996       0.07375635       0.19218246      -0.68644347
Cl       0.90731099       7.06036000       0.77608598       0.70023581      -1.22348892       5.16621611
Cl       8.56910001       3.91012002       6.00707997      -1.05691237      -1.26160313       3.64701513
Cl       6.79639000       2.62121998       8.57050001       3.78920895       0.90597582      -2.26786158
Cl       3.87240998       2.20344996       4.29018001      -0.75337267       0.53656184      -1.73622325
Cl       7.32348994      11.87120002       5.86683999      -0.41978569       1.01670624       0.79412728
Cl      10.09930000       4.01598996       0.45319102      -0.11811181       0.97773759       0.80302216
Cl       7.24725003       8.42822999      12.41860001       1.01054348      -1.04275648      -0.55717680
Cl      10.65930002       0.06038955       8.16528000      -2.11921229       2.87406783      -4.42804252
Cl       7.71031998       3.68711002       3.16481006      -0.69543705      -0.45844644      -0.96017931
Cl       4.10593996       3.90219004       8.33330005       0.31113680       0.88467772      -0.30989674
Cl       0.92779905       6.28375999       9.91844996      -0.18664443      -1.59045923      -2.06002510
K       10.28650006       6.53081996      11.56419994       0.23800685       0.41667674       0.12638385
K        2.12527004       4.80975005       6.42020003      -0.60012200       0.37305045      -0.46726235
K        5.94422002       4.39814996       5.88008003      -0.69457402       0.62178589      -0.19464942
K        3.20121001       8.91671999       2.33771006       0.13924578      -0.02714889      -0.02814911
K        4.98061998       1.30181994       6.46850998       0.92814274      -1.13549947       1.48868742
K        5.99558999       5.67766002      10.28130000      -0.06786168       0.23151463      -0.22952076
K       11.56130005       3.88356000       7.90813006       0.47499385       0.22343471      -0.91281412
K        2.41141997      12.41240001       5.17144002      -0.15835702      -0.18186517       0.10424433
K        5.47925994       1.63675996       1.33753997      -0.27724607      -0.76369025       0.42816998
K       10.59840002       9.34526004       7.22118997      -0.72241344      -0.01671079      -0.36044077
K        7.92244997      12.14159998       3.07296995      -0.14997034      -0.39147082      -0.18235852
K        9.91536000       4.98172006       4.45465004       3.29955813       2.78978257      -3.08088934
K        2.46563996       9.69284997       9.57309996       0.87349052      -0.37422234       0.06918044
K        6.98162998      10.06560004       9.93017003      -0.39929037       0.29851855      -0.06053594
K        3.81058999       5.28974001       2.36667001      -1.15224138      -2.35072222      -3.84642329
K       12.42799995       3.57437998      11.84700002       0.66967714       0.22911496      -0.64934852
K        7.21238003       6.13590006       1.40927995       0.54938510       0.18623524       0.51383824
K       11.00000005       2.14695998       2.50087997       0.25337851      -0.53538462       0.41933810
K        2.95879003      11.64690001      12.00169996      -0.11178042       0.48966219       0.27421454
Li       2.16904999       1.59337995       2.52626996      -0.05411462      -0.01336409       0.22915816
Li      12.43880003      10.09279995       2.31305998      -1.03361890      -0.65295676       0.35113268
Li       5.87158000       9.63857997       0.52832498      -0.83359453       0.65650370       0.51515958
Li       1.08099001       6.82698005      11.76590000       0.79797650       0.59408414      -1.55921041
Li      11.04389998      11.91929995       9.62866995       0.97048632      -2.61514120       4.17025601
Li       9.16914003       1.93607997      10.47919999      -0.95164800      -2.07955837       0.60371873
Li       0.04685687       0.10843896       8.32895001       0.76449611       0.21219319       0.08436798
Li       8.49810006       1.96096999       6.58657003       0.00905395      -1.69451184       0.61327680
Li       5.52725001       1.93295995       9.67952999      -3.22517363      -1.92344427       2.95576370
Li       8.27025004       2.92727001       0.44837696       0.29885670       0.97750152       0.76542438
Li       1.23360005       9.16278003       6.86040003      -1.46467923      -0.36656032       0.16458277
Li       2.66496004       2.79727003       9.25085001      -0.78554886      -1.27154546       0.95379974
Li      11.33000002       9.99102002      11.77109994      -0.13114406       0.11368976       0.33532015
Li       5.42690001       9.10012997       6.19740004       0.79829631      -0.03411878      -0.31008388
66
Lattice="12.79008693 0.0 0.0 0.0 12.79008693 0.0 0.0 0.0 12.79008693" Properties=species:S:1:pos:R:3:forces:R:3 energy=-567.3273408 stress="-0.016691727723905134 0.00028420633785845346 -0.002035564448800625 0.00028420633785845346 -0.014769786391081011 0.004982352704668801 -0.002035564448800625 0.004982352704668801 -0.012804054480433473" free_energy=-567.3273408 pbc="T T T" config_type=melt 
Cl       4.09586994       7.13417005      10.39710004      -3.08280852      -2.26193651       2.93797025
Cl       3.43723994      12.61709998       3.10620000      -0.34048003      -0.18676515       0.00163719
Cl       8.65318997       9.59703994      12.21820006       0.36953860      -0.68131567       0.72670791
Cl       9.88640005       3.64007000       6.35177000      -0.65298797       0.98180110      -0.66701588
Cl       6.03531997       9.70737004      10.32419999      -1.70924961      -0.78397847       0.92011563
Cl      11.43219998       2.24718003       2.42357004       0.85145740      -0.74517805       0.26227219
Cl       1.49693003       9.20433004       3.43749996       1.23169627       1.03359529       0.03672975
Cl      11.70570000       1.23319997       9.64273994      -0.97382379       0.46849130      -1.84920963
Cl       1.62790999       3.14570001      11.33719995      -1.00280647      -0.76780895      -0.00238686
Cl       0.21493703       3.06791006       6.78837995       0.88112878      -0.73806761      -0.64458579
Cl       5.15104994      11.09530001       5.60182005      -0.09747843      -0.97108863      -0.84421096
Cl       7.20602003       0.56686305       6.33159005       0.68278015       0.69443584      -0.06073214
Cl       7.51370002       4.74715997       8.25197006       0.69821593       0.39665463       0.42579541
Cl      11.23829996       7.36151001       4.03767006      -0.80312087       0.54078931      -0.84121825
Cl       5.13037003       3.18203000       4.37479999      -4.53226930       0.43554964      -0.70647023
Cl       1.83404002      10.95360004       6.46295998      -0.43671692       1.01684664       0.25362233
Cl       9.56942000      10.94670005       3.29838001       0.15926545      -0.30382413       0.45559107
Cl       6.41042994       7.09806006       0.68958905       0.45242359       0.87875596       0.54906068
Cl       5.19525005       2.37739002      10.40110001      -0.27007142      -0.60682270       1.19758299
Cl       9.29665004       8.86787005       8.63835999       0.42239874      -0.13663841       0.05347337
Cl       4.12770997       4.48703006       1.16225004      -0.05275465      -0.26199617      -0.66797934
Cl       9.77642999       4.10904002      12.32489996       0.16857262       0.48891541      -0.63664520
Cl       8.26665001      12.44269998      10.74090000       0.14926279      -1.24159369       0.72850758
Cl       3.44168002       3.78449003       7.90287001       0.13207668      -0.16463210      -0.25072620
Cl       5.09707001       6.99940999       7.27092998      -0.36651117       0.77854007      -0.40718320
Cl       7.21266998       6.17938994       4.72072004      -0.65070721       2.96778869      -3.93322749
Cl       0.75529901       5.72736998       1.47386004      -1.01319938       1.92883818       0.95204693
Cl       1.62192998       6.02721003       4.91282996      -1.54987501       1.17257596      -2.43363402
Cl      11.82480001       9.60531998       0.67459101       0.71125904      -0.06197787       0.11054206
Cl       8.00119994       1.64844997       1.23210003      -1.17883887      -0.92437547       0.45376726
Cl       0.32946305       6.04376999       8.74959999       0.73719514       1.49465709       0.05384901
Cl       2.49296995      12.05509998      12.30020000      -0.32383519      -0.24600065      -0.15963344
Cl       1.58123998       9.31173006      10.27619995      -0.01059658       0.92814627      -1.32212986
K       11.56019997       7.73830994       6.60291998       0.10554328       0.09000606       1.76959317
K        2.71391000       1.29457001       5.84947003       0.50361945       0.08851264      -0.38293621
K       12.41880004       0.28300894      11.81759996       0.91308542      -0.58310233       2.08237628
K        8.09360998       9.17776004       6.14092004      -0.76251333       0.07657608      -0.46025498
K       12.09830003       4.76884006       4.11048006      -0.48836399      -1.50980326      -0.18371236
K       10.63469995       6.88815005      11.41650002      -0.17718970       0.40271089      -0.00318745
K       12.36000005      12.08269996       3.24158998       0.29664672      -0.08625187      -0.03740868
K        1.69769999       0.75542602       9.03512000       0.34080388       0.35885054       0.12090634
K        4.44308000       5.69146002       4.49146004       0.37047180       1.28663929      -0.62905787
K        9.91358998      12.02060000       0.52931903      -0.80611490      -0.10964306      -0.20026388
K        4.77074003      10.82579996       8.34744998      -0.87170503       0.67159791      -0.72900772
K       10.50700001       1.06321000       6.91551994       0.05767876      -0.63276292      -0.35437586
K        8.99360005       7.93598994       2.25533000      -0.37452571       0.07872620      -0.47041711
K        4.37339001       1.44869004       0.69516604       0.10099366       0.16345027      -0.08783401
K        8.24095997       1.70274005       9.28412995      -0.11228113       1.53299628      -0.92543383
K        2.22820005       8.22979000       6.04752005       0.98687196       0.80593732       1.47994956
K        4.50937997       9.28318003       0.32471498      -0.03131811      -0.00092854      -0.52020924
K        6.85761000      11.83310001       3.10093995      -0.44284963       0.54293843       0.29037557
K       11.37590006       4.07328994       8.97619006      -0.76731526      -0.61430295       0.29227669
Li       5.99145995       3.61881006       8.99574994      -1.09620125       0.51109354      -0.91714384
Li       0.02311309       8.12263005       2.73799002      -1.15263645      -1.19485961      -1.40095073
Li       7.82359002       5.22044997       6.09259999       1.88206913      -2.77489999       3.78968438
Li       2.84762000      10.62190001       4.28917995       0.90553355       1.18145388       0.41353856
Li       6.74000004       2.52220003       4.64583997       4.80702701      -2.32362447       1.19826117
Li       9.79819002       2.66145005       1.15968997       0.03079058       0.67515845      -0.20694272
Li       7.90865996      10.17970002      10.13200003       2.48261180       0.59684940       0.20432674
Li       6.08538996       5.21774998      12.74579997      -0.46310273      -0.86893715       0.12084461
Li       3.44831999       3.98294000      10.83419998       0.96941132       0.40166220      -0.57503161
Li       1.36338004       4.20131001       0.42536696       0.84630617      -1.09829766      -0.46772476
Li       5.47660996       7.76615997       9.40013003       2.97053282       0.86996954      -2.35961582
Li       1.98473998       7.35272003       9.84576006      -0.06752835      -1.24635419      -0.42192074
Li       2.43923994       4.78282001       5.99386001       0.98439458      -3.01891155       3.29684899
Li       0.91888295       9.59431002      12.11949999      -0.53988611       0.60516948       1.58216430
66
Lattice="12.79008693 0.0 0.0 0.0 12.79008693 0.0 0.0 0.0 12.79008693" Properties=species:S:1:pos:R:3:forces:R:3 energy=-570.34928658 stress="-0.017757132747196307 -0.002178465728864042 0.0014595815902196444 -0.002178465728864042 -0.009292263672257425 0.00048202843555061816 0.0014595815902196444 0.00048202843555061816 -0.01282515447625236" free_energy=-570.34928658 pbc="T T T" config_type=melt 
Cl      10.00200005       3.82330999       7.83496002       0.07345800      -0.17023670      -0.71126885
Cl       8.30729998      10.11410005       4.66538002       2.05459501       0.49340387      -0.63690946
Cl       7.00344002       2.60461999       3.45807998       0.52247007      -0.41041011      -0.10348029
Cl       4.64749999       8.57633997      10.13789997      -0.51102393      -0.57450398       0.28478204
Cl       6.58200998      12.16120002      12.68559998      -0.20712074       0.09978036       0.73010183
Cl       1.89522997       5.23709998       0.54405602      -1.99777106       1.55253837      -2.50326214
Cl      12.71090005      12.39139997       8.01173002       0.09962469       0.22780876      -0.12733513
Cl       5.91217995       3.72290998      11.64249996       1.40941092      -0.68643109       0.10114466
Cl       5.51308997       4.38078000       6.45811995       0.05839161       0.39090700       0.02592877
Cl       9.78594006       6.70186000       4.50684997      -0.52547764      -0.20118986       0.10099331
Cl      11.60910006       9.42509001       5.24706000       3.02578837       1.30705755       2.38325347
Cl      11.11029997       4.05828000       1.41372003      -0.64438403      -0.24645515       0.46994342
Cl       6.39468995       8.10966001       1.58489002       0.23214751       0.06439942       0.52818156
Cl       7.57359997       0.66207105       6.56269004       0.10255656      -0.10012987      -0.10841943
Cl      12.27709995       5.28207005       9.85625995      -0.13173047       0.76028655       0.59700124
Cl       0.46824304       2.23931003      11.12990001       0.22359377      -0.82029786       0.39365323
Cl      11.18120002      11.08619999       0.95668801      -0.99048322       0.34416033      -0.55330399
Cl       9.02148001       0.71503096      11.19220001      -1.85796115      -1.00388660       1.37990253
Cl      10.83889995       1.39098002       4.85432005       0.29547419       0.14765232      -0.49948663
Cl       9.30681995       6.98053003      11.49840006       0.17954682      -0.10550628      -1.05713775
Cl       0.99569100      12.65330002       3.01743999       1.39248822      -2.24041002      -1.57689100
Cl       1.72847000       3.06292999       5.27591994      -0.69762014      -0.99364350      -0.40469686
Cl       6.09225005       8.32175994       5.38019995       1.96282907      -0.58198153       0.68816980
Cl      11.95749998       7.61696002       1.97464003      -1.45683062       0.40461891      -0.02742414
Cl       2.60405006       9.42779997       1.53224001      -1.45398885      -0.44789704      -0.28487676
Cl       3.09395004       5.88466003       3.19656005       0.04333090       0.26843487       1.19375564
Cl       1.86167006       6.06128001       6.90489994      -0.50797327       0.60681256       0.24709192
Cl       4.93155005       0.89140600       9.92377997      -0.15062036      -0.06976622      -0.04571626
Cl       4.44969004      11.94120004       4.09811000       0.07495565       0.00281426       1.51304220
Cl       3.13881997       4.36628998      10.15739999       0.26862730       0.62709727      -0.98714420
Cl       3.68772995       2.22282003       1.40647994      -0.12768244      -0.35948756      -0.49786421
Cl       0.57051897       9.52680995       9.93492001      -0.65537349       0.17574000      -0.40450250
Cl       2.44679006      10.34520004       6.41880003       3.56964602       1.55464324      -3.56266532
K        2.30015005      11.33049999      11.23289999       0.26669248       0.52065430       0.13278428
K        5.02368996      10.59669996       1.88939001       0.90455077      -0.48330024      -1.26521599
K        7.44643005       2.77754004       8.43431999      -0.89622392       0.09109435       0.50603520
K        6.28117000       6.25050001      12.39530005      -0.37089307       0.59317041      -0.61299101
K       10.25790002      11.81129995       6.54621999      -0.55197814      -0.09255919      -0.28756611
K        9.35022004       0.73739200       1.62532997      -0.26889197      -0.01980452       0.17701723
K        4.54298004       7.23044002       7.49102000      -0.09247562      -0.56632386       0.64389721
K        4.18622001       1.82441995       6.35759997       0.41089895      -0.54344927       0.19013278
K        3.73206999       8.67737999       4.84469001      -2.57033416      -0.49797710      -2.02121401
K        6.18471995      10.79619999      10.15900003       0.33148799       0.96384595      -0.23843861
K        0.50335400       3.21373995       8.14846999       0.29667603      -0.15565981      -0.31104246
K       10.05660004       6.67922999       7.91062004       0.22609424       0.16624169       0.04486400
K        0.01692742       2.07200994       2.43340996      -0.37966305       1.89212173      -0.48043385
K        7.23729000       5.41549995       3.93514996      -0.77364640       0.48132774       0.24760419
K        9.15605999       7.32389002       1.31483002      -0.30426189       0.55537208       1.73137428
K        1.69101001       7.30049004      11.13130001       0.50413842      -0.51129978      -0.09446647
K       10.20839995      10.26850006      11.15939996       0.26352336       0.01276843      -0.04819207
K       10.76120004       1.76218006       9.84783001       2.18598613       1.14480263      -1.64726621
K       12.31509994       5.50524006       4.66731005       0.54586122      -0.11814495      -0.08237018
Li       2.79506003       4.11822995       1.79469003       1.23649207      -0.74967541       1.75089094
Li       1.10895003       7.30947994       1.83092998       2.51017677      -0.43752054      -0.13425375
Li      12.78430006      10.62830004       2.11637006       1.29732378      -0.38057082       0.75548117
Li      10.84350003       5.58017002       0.04584619       0.51350731       0.40166491      -1.20836893
Li       1.28625006      10.11709996       7.67974004      -4.55343788      -0.50648732       4.60349229
Li       8.87965995       2.54689999       5.20545001      -0.42566240      -0.67366598       0.08980942
Li       0.55139894      12.46310004       4.88381002      -0.57175550      -0.29675868       2.64042754
Li      10.35060001       8.89320005       4.00684006      -2.57251264      -0.88558853      -1.86581111
Li       2.77015006       4.87997006       5.40201996       0.99350566       0.45491056      -0.51531219
Li       4.05234003       2.78732996      11.30959996      -0.47048614      -0.81915356      -0.06577775
Li       1.22991996       4.26152996      10.98040001      -0.66701992       0.07912871       0.70374838
Li       4.42447004       0.73708900       2.75345004       0.29879768       0.84392610      -0.23494423
Li       6.37148003      10.70889997       4.69564994      -0.67930075       0.17429960       0.55858696
Li       6.93538998       1.71079998      11.92230000      -0.31006268      -0.65331190      -0.20704164
66
Lattice="12.79008693 0.0 0.0 0.0 12.79008693 0.0 0.0 0.0 12.79008693" Properties=species:S:1:pos:R:3:forces:R:3 energy=-566.03663263 stress="-0.017190624680472184 0.00476353813987697 -0.002355082748689676 0.00476353813987697 -0.01795695330745398 0.0017541511862760044 -0.002355082748689676 0.0017541511862760044 -0.01705547108555087" free_energy=-566.03663263 pbc="T T T" config_type=melt 
Cl       5.70036000       4.22293997       1.27474000       0.21473141      -3.50724765      -0.15787365
Cl       2.17054004       2.99500004      12.01920000      -0.05561588      -0.04814372      -0.97241466
Cl      12.18120001       2.88276997       1.50818006       0.63360797      -0.07460670       0.17123082
Cl       0.99415299       7.92123005      11.52749994       0.65127233      -2.11020262       1.10489135
Cl       5.44071995      12.27449998      11.37580005      -0.26945128       0.58498189      -0.44241954
Cl       5.54213997       1.40670006       4.50301997       0.99523275      -0.41429240       2.49412573
Cl      11.80490004       8.67701995       7.48628000       3.46594340      -1.01354734       1.83646488
Cl      12.06669995      12.31189999       9.02935999      -0.20591006      -1.40199568       0.77168968
Cl       7.45657003       9.86509995      11.66659994       0.28423957      -0.58452468      -0.36541257
Cl      10.86160005       3.49408995       9.05592001       3.39554277      -1.40534273       1.92429174
Cl      11.83590002       6.62078006       3.24217001      -0.18752888       0.45566376      -0.71489326
Cl       9.99839005       0.88352705      11.65810003      -0.12510457       1.07676493       0.69239973
Cl       2.60324006       1.86773000       3.09003000      -0.36349120      -0.05659878       0.21736418
Cl       2.63258001       5.57245005       2.19378001      -0.59061908       0.27067811       0.43708858
Cl       8.70221003       7.32334004       1.42380002       0.50780091       0.73455289       1.27324699
Cl      10.37379995      11.15679999       0.40705897       0.33732420      -1.39513152       1.40267033
Cl       5.71717001       5.34105998      10.99069999      -0.74382493      -0.22158547      -0.36570304
Cl       5.46517997       3.48140999       7.60874994      -0.25078485       1.17126277       0.49915171
Cl       3.84777001       7.95520001       7.91022994      -1.37941536       2.33268038       1.50439025
Cl      11.33389998      10.34780001       3.80889006       0.06429630      -0.08692717      -0.24608407
Cl       5.44745995       6.11806006       4.89681000       0.70196909       1.20859769      -0.41513292
Cl       8.19242006       7.03668005       9.20689995      -0.03282886       0.94240335       0.14166636
Cl       6.95467001      10.89429996       5.65519001       0.07034740      -0.71282279       0.78222024
Cl       8.69398997       0.38697597       8.87625996      -2.98345587      -1.23031921      -1.65053062
Cl       8.26327995       3.57212995       3.05937997       2.17498805      -0.60493133      -0.56607748
Cl       5.08405994       8.95606000       0.84568605      -1.06004346       1.75434208       0.42742918
Cl       1.73100001      11.07069994       0.59321306       0.67634529       0.83007365      -0.11186847
Cl       9.36234005       6.60064002       5.37178995      -1.85374594       0.93686136       3.72833698
Cl      11.35070001       1.54965000       6.06257002       0.28560858      -0.22580877      -0.30134223
Cl       3.72559002       0.11256901       7.52405999       0.71601749       0.11269643      -0.05249314
Cl       3.11072999      10.41640002       5.07966002       0.59562532       0.72268361      -0.71636335
Cl       1.40070995       5.80917000       6.35035004       2.88620544      -0.10306130      -0.78920142
Cl       6.46773004      11.98659998       2.15778999       0.23448915      -0.73572759       0.11420233
K        2.67624997       5.75042999       9.45274000      -0.03618790      -0.27850984       0.31614134
K        5.87071001       9.23917996       3.64082001      -0.09359661      -0.10466797      -0.18335220
K        1.10997004       1.10493996       8.15342999       0.18769831       1.20008296      -0.61802201
K        4.49106994       2.00519005      10.24159995       0.43283993       0.15788061       0.05503822
K        8.36012994       5.70736001      12.10850000      -0.35086862      -0.49696612      -1.08906264
K        0.08496276       0.28726203      12.18620003      -0.37129417       0.21176307       0.03971136
K        9.01006000       4.64949998       8.13181001      -3.13253773       0.97108216      -1.89673245
K       12.44710003       4.84291999      12.24539997       0.33679153       0.30178446      -0.38053821
K        5.18524001       1.62161995       1.99087001      -0.01979907       0.15501112      -1.90102985
K       10.03040006       9.51901005       6.28401003      -3.62272882       1.74563401      -2.46430278
K        4.13484006       3.81166999       4.94946998      -1.75444618      -0.74606991      -0.09275756
K        0.26310104       9.45274998       9.67897004      -0.14604746       1.97229694      -0.52271724
K        5.59205994       6.54363000       1.59023001      -0.01165617       2.09944741       0.89656799
K        4.95124000       8.07888002      11.07410006       0.10247842       0.33037300      -0.81843009
K       11.76079995       6.20070999       6.61054006      -1.94457965      -1.21280647       0.29820812
K        1.73131004       8.50380994       1.44014998       0.24410966      -0.46650581       0.35171422
K        7.41715994      10.03790004       8.54581003      -0.03482015       0.14948610       0.53424433
K        0.80297496       0.08927455       4.50457998      -0.47087551      -0.25783198      -0.13033910
K        8.60704001       0.09489068       4.82250995       0.86593968       1.04157640      -0.39182369
Li      10.12510004       3.02342000       1.23492996      -1.06226932      -0.65468700       0.38476768
Li       4.75636001       6.64947001       6.91726003       1.66765088      -2.11366254      -1.30837364
Li       9.05310005      11.26329998      11.58519999       0.30977878       1.06638683      -1.18877907
Li       0.96653306       6.20862002       3.83674994       1.12028953      -0.98918936       0.17269488
Li       6.65604003       4.42366004       3.89250001      -0.59275561       0.40991204       0.00038977
Li       4.92935002      11.61619996       5.96445994      -0.75281579       0.45236208       0.00608334
Li       2.08066001       8.79633995       5.66886006      -0.64018616      -1.14192574       1.01827925
Li       9.66700005       6.22857997       3.61935005       0.35036791      -0.91607063      -4.04589332
Li       1.99033999       3.03134998       1.37391996      -0.32190737       0.56919445       0.46372832
Li      10.43949994       0.93838898       9.47520003       1.59391803       1.14637708       0.44737493
Li      10.69200005       9.07714004       1.79728003      -0.24205900       0.38252185       0.23383341
Li       4.41919004      11.79749996       0.34781094      -0.38039830      -0.94741942       0.53790482
Li       5.81616004       1.61255996       6.83902997      -0.11024627      -1.05494329      -0.34553853
Li       7.87265995      10.91010006       0.85903199       0.09044599      -0.18334195      -0.03404025
66
Lattice="12.79008693 0.0 0.0 0.0 12.79008693 0.0 0.0 0.0 12.79008693" Properties=species:S:1:pos:R:3:forces:R:3 energy=-570.21562025 stress="-0.01335954195194308 -0.001840636825999552 -0.0018123822569262647 -0.001840636825999552 -0.006308763277891915 -0.0018648184733267082 -0.0018123822569262647 -0.0018648184733267082 -0.014058631075738138" free_energy=-570.21562025 pbc="T T T" config_type=melt 
Cl       4.44313999       6.00428994       5.47704994      -1.46210143      -0.21988850      -3.76866661
Cl       0.07510736       3.95045995      11.65789999       0.83310353       0.33823800       0.03214816
Cl       6.17652995      11.82659996       8.54253001      -0.09124025      -0.00452691       0.17955286
Cl       0.25156400       7.95141005       8.03410999      -1.07435765      -0.12369189      -0.59127889
Cl       3.65705996       5.72520001       9.32019006       0.24860540      -0.17697092      -0.10149799
Cl       4.78908997       1.07688004       2.45284002       0.08566879      -0.77809985      -0.33268102
Cl       2.78925998       8.02919003       0.60668895       0.62402981      -0.04115333       0.75804767
Cl       9.95018997       5.71675996       9.40650000       0.12986447       0.14090756       0.62132239
Cl       5.96719996       9.01920005       2.81765001       1.34924882      -0.39220399       0.30225777
Cl       6.42571000       7.29939994       7.26929003       2.08729669      -0.01118667      -0.56250932
Cl       9.20052000       3.40800998       3.58412999       1.10053692       1.08313171       2.49259588
Cl       8.76662999       0.10298297       2.53874004      -0.22062386      -0.59018547       0.34680915
Cl      10.20489995      12.40910004       6.04860004       0.29846194      -0.45993365      -0.21374658
Cl       7.27705003       1.15465004       6.21374002      -0.48489497       0.48007624      -0.39776921
Cl      12.54810002      11.09849996       3.09240998      -0.52663007      -0.30524507      -0.25563111
Cl      11.76509998       0.69250596      10.23119995       0.43847452      -0.48134920       0.85320011
Cl       5.67652004       4.12363006       0.97793503      -0.38675537      -0.09515901       1.26135637
Cl       7.71558004       2.46557000       9.84105996       0.48937044       0.07606696       0.81341263
Cl       3.89621003       9.55493996       7.13154003       0.93897986       0.13401178       0.44825834
Cl       1.23561999       3.39038998       4.08371002       0.77653283       0.32363046      -0.22412853
Cl      10.40660000       6.80851999       0.18854801       0.44751111      -0.61369909       0.92864898
Cl       6.94308999       7.71239006      12.42469998       0.69740654      -1.71816164      -0.92313369
Cl       9.66220006       6.89860006       5.23671001       0.40843932       0.87256738       0.58191972
Cl       0.67569006       9.71084997      11.57730006       0.61044746       1.17434154      -1.32348172
Cl       3.43434004      10.21290002       4.19014004      -0.65695261       1.13868634       0.62367522
Cl      10.25969997       2.43249995       0.56697100       1.12930336      -0.80925315      -1.65131773
Cl       0.55207604       0.97163003       1.26352003       0.62523514      -0.03645731       0.78906122
Cl      11.41629998       3.34936999       6.02379994      -0.18916214      -0.15119242       0.71197733
Cl       1.16222996      11.32330006       8.09327002      -0.14089836       0.14049469      -0.50617824
Cl       3.10780004       1.23059003       7.35160997       2.23243479      -0.95279808      -1.60673115
Cl       9.92366998       9.10001997      10.23040005      -0.07204144       0.51885054      -0.84417364
Cl       7.03062995      10.93389998       0.03731572       0.46205835       1.63834534       0.07468383
Cl       3.55400000       1.89601003      10.92790003       0.18126463      -1.07660050      -0.86382123
K        4.28765000       3.65337002       3.33977001      -0.75809286       0.32002385       1.10435636
K        3.46473005      11.68580003       9.78973002      -0.33440167      -0.13483055      -0.40256230
K        5.54588005       2.67678997       8.25262005      -0.89172735      -0.28167487      -0.47975735
K        5.80201996       5.28200994      11.54689995       0.20846422       0.67080063      -2.33930707
K        2.96414997       3.91372004      12.45933989      -0.79976624       0.79211027       0.70774008
K        8.75577005       9.93352999       3.67518006       0.53544813       0.32703743       0.19858281
K       12.76779995       5.95782995       5.77318995      -0.14061749      -0.72443640      -0.14198450
K        7.11318996       9.06595000       8.96971994       0.32374892       1.19547199       1.48368992
K        8.68490005       4.33745997       7.28990995       0.34779713      -0.37001217      -0.44355428
K       11.92660002       3.90360999       2.15530999       0.46122283       0.23016192       0.34386384
K        0.60391312       0.11374403       5.46200995      -0.21185020       0.20955840      -0.09767979
K        2.76711996      11.65190004       1.75633000      -0.55770410       0.26053497      -0.17336064
K        8.26559995       6.08018005       2.96104006      -0.31323177       0.08014074      -0.61838810
K        1.04833001       1.85301999       8.60641995      -1.84054809       0.99022806       1.11100737
K        0.79181305       6.96150004      10.57850005       0.05197897      -0.57985746       0.43209873
K        7.96422994       2.78826005       1.59986005      -2.48332279      -1.17624852      -1.82895807
K       12.64700001       8.70015006       0.98646001      -0.55534687      -0.41968345       1.53140277
K        5.82039995       0.21986402      11.32120006       0.73125293       0.62607968      -0.01705063
K        9.40975994      12.65390000       9.06646006      -0.71738519       0.00228364      -0.58455201
Li       9.13065006       1.43593999       4.82837996       0.13762530      -0.23091405       0.44831186
Li       2.06277998       8.47324995       7.10986006       0.39313294       0.47919445      -0.08484123
Li       4.98519001       5.97117998       7.26213999      -0.89665466      -0.82346515       3.17477742
Li      10.55970003       8.38560997       7.58969002       0.25311480      -0.44283558       0.53572022
Li      10.78460002       4.23241000      11.33410001      -0.72112527       0.18119469      -0.28176546
Li       8.96903004       7.52466995      11.57980001       0.36965111       0.11046053      -0.65821583
Li       3.86615998       8.76218006       2.86288996      -0.65152214      -1.18866973      -1.14845760
Li      11.02039998       0.04996767       2.13137001       0.60040697      -0.03529437       0.44159599
Li       6.07535997       9.24492002       0.45399398      -1.45414563       0.13935730       1.21539244
Li      11.92149998       0.91514799      12.62170006      -0.63231363       0.63221435      -1.74662142
Li       6.48602997      12.53930006       2.44491004       0.35562893      -0.29033040      -0.19335387
Li       0.14851312      10.97920004       9.89998005      -0.83093918       0.25868316       0.26599338
Li       5.56285006       8.18022995       5.38644995      -0.71211951       0.04711634       0.08906903
Li       4.76132000      11.92089999       6.36081003      -0.15527513       0.12400838       0.50462697
66
Lattice="12.79008693 0.0 0.0 0.0 12.79008693 0.0 0.0 0.0 12.79008693" Properties=species:S:1:pos:R:3:forces:R:3 energy=-567.31902606 stress="-0.01290499700942834 0.004988194800901192 7.32272200685454e-05 0.004988194800901192 -0.010394877807968574 0.0012464581395544478 7.32272200685454e-05 0.0012464581395544478 -0.01670984377904112" free_energy=-567.31902606 pbc="T T T" config_type=melt 
Cl       6.53195994       3.54827004       6.62975000       0.36705791      -0.40108650      -0.27072076
Cl       3.11275006       3.99103996       9.37551998      -0.21658547       0.14241044       0.02904466
Cl       7.11509006       6.81873006      11.23190006       1.69154717      -3.10555841       2.42423298
Cl       1.23092001       5.15942003       6.50755006      -0.08180738       0.00792205      -0.23766209
Cl       5.50666999       7.98052004       5.07949004       0.14009727       0.01764437      -0.10274185
Cl      11.63300000      10.47330005       1.28352001      -1.69627480       0.09597219       0.55006658
Cl       7.32639994      11.80669999       5.13244995      -0.49196671       0.20260035       0.38644331
Cl       3.98949005       9.92652997       8.60059995      -0.56200749      -1.15856135      -0.44704797
Cl      11.43870003      10.18680005      11.01559999      -0.83587335      -0.49855378      -1.51299478
Cl      10.25710000       5.38352000       8.13050005       0.13312356       0.18586055      -0.03036429
Cl       1.75966003      11.70909999       0.68793606       0.31207641       0.16729710      -1.48491218
Cl       9.45592000       9.24144994       5.58046994      -3.01326472       2.99472651       6.48738032
Cl       8.70658002      12.40420003      12.25559994      -0.89386269       0.65744778      -0.26699529
Cl       8.24093004       2.77664998      10.11649998       1.15167868       1.06291560      -0.99890610
Cl       3.76285995       7.08344994      11.24990006      -0.48658670      -0.55406671      -2.41030206
Cl       5.44059998       0.80508200       0.59134302      -0.03993254      -0.14263861       0.12039744
Cl       5.62394997       9.85090001      12.09840005      -0.35881058       0.06856309       0.21782306
Cl       2.18656998       4.66350001       1.68099997       0.46931484      -1.41156074       0.13280293
Cl       0.73202106       0.46928696       4.63292006      -0.09125614      -0.09311370       0.08295347
Cl       3.99447000      10.67569998       2.75158000      -0.03067887      -0.85718827       3.83571247
Cl      11.56120003       7.11790004       4.06183002       0.87430094      -1.31378367      -0.61565506
Cl      10.63510002       5.64744997      12.77462026      -1.10783709      -0.62910425      -1.27648170
Cl       0.26973999       0.28992096       9.72932998       0.50989176      -0.43151501      -0.12625424
Cl       8.44031995       8.46532994       1.96404997       1.88523687      -0.51204711      -1.43682473
Cl       7.61384999       8.06857006       8.26112994       0.66771471      -0.84930423       1.27452783
Cl       4.35672005       2.28954003       3.80708999       0.57783223      -0.00102509       0.82773993
Cl       9.64106994       1.17741997       6.76015005       2.38075297       0.43701065       1.15510440
Cl       0.25135104       2.76759997      12.08870005      -1.03078289       1.95276487       0.62716476
Cl       6.12245998       4.11217999       1.06694995      -0.40227529      -0.43969965       0.68780293
Cl       8.91709001       1.98337004       3.41743001      -0.54277300       0.30980726      -0.08646090
Cl       4.70918006       0.80540405       9.94434004       0.15352075      -0.69829673      -0.42168389
Cl       1.20999006       7.28649999       1.36181005      -0.44779677       1.98655374      -0.67161609
Cl       1.44786994       9.71417002       6.47579995      -0.45775816      -0.16838978      -0.35061240
K       11.19119995      11.78429995       6.80583995       0.87805780      -0.78417984      -0.10260384
K       12.16040000       7.99219994       6.76749003      -0.55704700      -0.90083907       0.54234284
K        6.37392997      10.11040001       7.53859005       0.23577907       1.39647383      -1.47200645
K       10.25110004       1.98069998      12.33819998       0.21226570       0.29666108       0.32473490
K        1.01055999       5.75570999      11.40960002       0.07689271      -0.48453994       0.17925715
K        3.64260000       6.59030000       8.11214001      -0.23185598       0.11713234      -0.31125949
K       11.90800004       3.90188998       4.60373999      -0.09178560      -0.12239981       0.02061291
K        9.50832994       7.65161003      10.71810001       1.62216044       0.60798431      -0.38416866
K       11.77599995       2.60267999       8.85269000      -0.30895612       0.69176025      -0.10321800
K        7.28063996       0.43461304       7.74247004      -1.30936358       0.11563336       1.29637279
K        2.50447002       1.33805004       2.06465001      -0.37465855       0.18834297      -0.16135623
K        3.35955998      11.46459996       5.69344005       0.59192810       0.22819386      -0.42809443
K        2.58769000       2.05953002       6.19506994       0.33411205       0.77846404       0.49819324
K        0.80403296      10.19710004       2.89763998       1.20089040      -0.24988084       1.43066330
K        7.23236006      12.05470003       2.22148999       0.28985946      -0.00144619      -0.11592575
K        2.40285995       6.68202999       4.07585998       0.21079007      -0.15111365       0.00909926
K        7.09776998       5.37622006       8.84568001       0.10224667      -1.34500277      -0.02669480
K        4.35255995       2.98899996      11.87519999      -0.57338295       0.54843612      -0.12817267
K        8.14842996       6.45908995       6.11129999       0.12116594      -0.42275717      -0.97117770
Li       7.44639002       5.32746002       0.21381303       1.12905811       1.13449209      -0.58338341
Li       6.39422004       2.57317006       2.83755996       0.06591298       0.01955422      -0.11618739
Li       1.36086998       1.27001995      11.62640006       0.81634878      -2.34369903      -1.09076527
Li      10.19220003       8.61890998       4.21464994       2.38838452      -2.07216526      -6.86767289
Li       3.71993002       7.33743996       0.36502294      -0.35881149       0.27661573       2.38614157
Li       4.26491997      10.98060004       0.95116206       0.36002718       0.86355252      -3.83281137
Li       7.13690995       1.71440001      11.31089995      -1.53643844      -2.00485093       1.46735640
Li      11.82640005       6.20001996       1.45842995       1.29601646       0.90079641       1.51745768
Li       9.95485004      10.83629998      12.74390001       0.56433234      -0.69739097      -0.14018155
Li       0.10223001       9.83231001      12.43859999       0.84481799       0.16548985       0.58139096
Li       8.11402002       1.85468999       5.76852003      -1.48791383       1.32421822      -2.20308020
Li       3.40182994      11.26930006       9.95330998      -0.02812450       1.43734337       1.19226810
Li       5.75416994       7.89188998      10.65759996      -2.70299766       3.08292920      -0.76605853
Li       7.08670003       8.95489994       3.19335997      -2.30572650       0.38218876       2.26796683
66
Lattice="12.79008693 0.0 0.0 0.0 12.79008693 0.0 0.0 0.0 12.79008693" Properties=species:S:1:pos:R:3:forces:R:3 energy=-569.7536475 stress="-0.005936089334053027 0.0004043021172513167 -0.0023938944309928106 0.0004043021172513167 -0.011661618767518095 -0.0027422034143815164 -0.0023938944309928106 -0.0027422034143815164 -0.014535835192983489" free_energy=-569.7536475 pbc="T T T" config_type=melt 
Cl       3.41366998      11.63730002      11.86570002       1.20506237       0.10635730      -0.71714520
Cl       7.80285997       0.38741301       9.07293006       0.43038155      -0.73470061       0.96360766
Cl      12.52389491       0.28998401       2.95738005      -0.40868699      -0.45018100      -1.90113607
Cl      10.72879994      10.78320002       8.55653004      -0.73893641       0.23458982       1.34609198
Cl       6.45141999       3.64395997       9.92992996       0.51146668      -0.96567189       0.66382353
Cl      11.25839997       1.06737995       6.38561001      -0.74243003      -0.12347668       0.68042097
Cl       0.02296192       8.48821998       7.73504002      -1.40867840      -1.50182661      -0.46016579
Cl       2.32683004       9.46232003       2.46445995       0.69065654       0.75291124       0.06107878
Cl      12.25190002       4.94714001       6.06316002      -0.14746863       0.23333223      -0.08841435
Cl       6.93538998       9.38668995       9.80962001      -0.01574550       0.62551214      -0.60235855
Cl       7.39585997       6.72879004       6.00643995      -0.22773319      -0.46092402      -0.52553335
Cl       7.25717999       4.48513994       0.85943897       0.19826210      -0.97688341      -0.47477765
Cl       0.75394096       2.40147005      11.89890002       1.31689953      -0.64420954      -0.39824663
Cl       5.92856994       0.26393994       2.03519994      -0.07673534      -0.01817937      -0.08964865
Cl       3.90085002       5.66809995      11.47569996      -0.06427385      -0.49010523      -0.01349227
Cl       8.07873000       7.43523003       1.49390006       0.90914805      -0.70478320       1.71643710
Cl       9.79136996       6.62684000       8.54362996      -0.30002256      -0.31372859      -0.56982357
Cl      10.52980000       7.93249006       4.39626994       0.05290367      -0.83794037       0.37124288
Cl       3.08411996       1.62238006       9.29521000       0.66880738      -1.00050662      -1.12170980
Cl       0.98430002       5.37576997       9.57188005      -0.56908947      -0.57944154      -0.50840909
Cl       0.61140504       5.12595003       1.46132000      -1.09332145       0.21733696      -0.18824933
Cl       3.39106005       6.39946001       6.86538996      -0.21482238       0.17034661      -0.22978229
Cl      10.39220003       2.86191996      12.06049995      -5.06957690      -0.69516782      -1.99680187
Cl       1.61173999       8.69008004      11.05130006       0.06381644      -1.65547307      -2.75877333
Cl       2.33406002       2.81274002       5.33713995       0.12960799      -0.48200135      -0.10816452
Cl       8.93987005      11.03609994       4.05874006       0.30079981       0.07076935       0.23901059
Cl       1.22127002      11.52370001       6.27965002      -1.46950447       2.04421676      -1.50158526
Cl       0.12333199       9.94809994       0.23719395      -1.26725891       0.74305237       0.20366181
Cl       4.35368995       5.69281999       2.60601001       0.48839058       0.69390192       0.30685298
Cl      10.79729994       6.55496994      11.72400006       0.50822774       0.49900596      -4.72251247
Cl       5.16331000      10.58709997       5.55688003       0.96370035      -0.72994684       1.21165270
Cl       9.67522996       9.96330006      12.01199995      -0.08459330       0.26705610       0.42417092
Cl       8.32742006       3.14078005       5.28106002      -0.72704441       0.40486620      -0.60942939
K       11.69140004       9.72015002       2.69304003      -0.11074503       0.88489866       0.19498338
K        9.51672996       5.21449005       3.74339996       0.03447990       0.17508285      -0.16571568
K        4.91431003       2.93540003       6.93638006      -0.54314676       0.01808509      -0.30748818
K        8.43408005       2.71793005       7.88406001       0.80486007       0.76669974       0.44540993
K        5.53030006      11.68090002       8.56035006      -0.83450167      -0.28740257       0.00339855
K        1.43863998      12.37530006       0.70602700      -0.57598840       0.89797670       0.53611898
K        9.40836006       1.13973002       3.71809004       0.06744450      -0.68927591      -0.41085611
K        4.96965005       7.76485998       4.40476000      -0.02041295       0.42791038       0.61704925
K        5.81477001       5.79419997       8.52162001      -0.29396804       1.69367905      -0.41619367
K        0.46043699       2.69714002       7.89436000       0.47109593       0.24072342      -0.20946624
K        2.97161004       3.57624004       1.76253998      -0.35341946      -0.80924905      -0.07733095
K        3.32106003      11.86070000       4.25443005      -0.81029737       0.89578162      -1.08224392
K       10.82840006       0.84949199      10.10970000       0.29226295      -0.48963453      -0.23850900
K        2.17831999       9.73665000       7.68153001       2.96163221      -1.00006518       1.64384174
K        7.63582003      10.13340003       1.66299997      -0.19711531       1.20562948       0.14130193
K        6.78537006       7.73438006      12.02679999      -0.77224184      -0.47843299      -0.93630026
K        1.45586004       7.12698996       3.53361004      -0.28115874      -1.04752818       0.50034831
K        5.45418996       1.53756004      12.16690005       0.10286268      -0.22806676      -0.00877684
K        7.90023999       9.49774998       6.68541003       0.51335113       0.11417346       0.02616850
Li      10.49859999       6.43216004       6.14498000       0.03399007       0.48037957       0.95860428
Li       1.01107006       6.18136997       7.47701997       0.33983173       0.19695275      -0.47839812
Li      11.58940000      11.35920005       6.75532998       0.59138462       0.35234576      -0.68290561
Li      12.65778793       0.78626305       4.82147997       1.15359740       0.48988853       1.78930185
Li       2.31542001       9.83527001      12.51060000       0.56334149       0.33016781       1.27436897
Li       1.57654998       6.47710006      11.32069997       0.56663363       0.01799499       0.54002834
Li      11.91239996       3.25406006       0.11230400       3.99777916       1.61809715       2.42263597
Li      10.68900000       6.40360003       0.68946396      -0.24190762      -0.20194761       4.56621571
Li       8.67048997      11.19759999      10.56129994      -0.41528584      -0.46742422      -0.97831988
Li       8.07955995       4.21423004      11.55840002       0.34305452      -0.13654982       0.13472440
Li       2.86868003       3.13438002      10.58120004      -0.69995169       1.72585429       0.98769573
Li      11.82160006       9.41187005      11.01650003       0.01176177      -0.01567208       0.26420989
Li      11.87210006       7.08978999       9.08330998      -0.28010440      -0.59431211       0.56165773
Li       6.59976006       5.72812996       2.49665004      -0.23132726       0.21513251      -0.21745146
66
Lattice="12.79008693 0.0 0.0 0.0 12.79008693 0.0 0.0 0.0 12.79008693" Properties=species:S:1:pos:R:3:forces:R:3 energy=-568.3396855 stress="-0.011440683762347907 -0.0014641674079781957 0.002796905092624854 -0.0014641674079781957 -0.009120237943993846 0.002228340760719207 0.002796905092624854 0.002228340760719207 -0.01669106035054185" free_energy=-568.3396855 pbc="T T T" config_type=melt 
Cl      12.18659998      12.51109996       9.36482005      -0.40186027      -0.07839937      -0.71447621
Cl       0.85659305       6.39713004      11.28850003       0.04136403      -0.36539843       0.42463642
Cl       2.34224005       9.21995006       0.17988196      -1.13406486      -0.65568660       0.00420412
Cl       5.11793998       5.21943994       9.26875997       0.17132096      -0.66500080      -0.58405724
Cl       6.81073996      10.84389998       3.64163000       0.48240587      -1.39754426       1.14550767
Cl       0.57244503       4.67383005       7.94405997       0.48683188      -0.59442146      -0.59746634
Cl      11.68440003      11.85929999       1.67962005      -3.85757803      -8.25530229      -2.79596119
Cl       8.42407999       2.63896994      10.21799994      -0.60734282      -0.29764536      -0.11573335
Cl       3.74374005      12.01479995       1.35879006       0.01803084       0.58244490      -0.06421853
Cl       5.98152000       0.56263196      12.09280004       1.40284269       0.03673056      -0.56785833
Cl       3.29694995       9.84770006       7.08708002       1.01953662      -0.63376878      -0.38604103
Cl      10.98839995       4.86949996       4.88696994       0.30734396      -0.68593061       2.68417587
Cl       5.63099002       2.60397997       3.07964995      -0.10267099       0.56398879      -0.11158033
Cl       7.74685001       1.74652998       6.30403995      -0.31228522       0.28233843       0.98630164
Cl       8.87094005       1.27450006       2.93778001      -1.08788635      -1.21716935       3.59500506
Cl       1.26128995       0.87602605       3.27332001       0.40800569      -0.24459718       0.79918417
Cl      10.28760001       4.51044002      12.68180004      -1.18800804       0.67275726      -0.95565278
Cl       9.76953997       8.38029006       1.97551002      -1.26575608       0.09644587      -0.72340149
Cl      12.64329996       6.87947005       2.72284004       0.70842065       0.85629219      -0.41648115
Cl       3.76133000       4.70295001       0.22701905      -0.21642125      -0.45838072      -0.65228864
Cl       4.91928000       7.80500999       1.95094998       0.51341887       0.08087171      -0.92959540
Cl       9.87899996      10.65740005       5.76664999       0.20073128      -0.17552052      -1.72270738
Cl       7.61161006       7.24871999       6.67507999       0.45629213      -0.21348047      -0.26137920
Cl       5.56741996       8.49969000       9.93248005      -0.23947486       0.32713619       0.24612621
Cl      12.67509996       3.10997998       1.53937995      -0.13593798      -0.21979316      -0.18163144
Cl       8.01723001      11.54880004       8.15758996       0.16936618      -0.02389605       0.65966291
Cl      12.69121547       8.96986997       7.28143998      -0.59642207      -0.86048360      -0.21412558
Cl       3.19115994       0.21970901      10.10640003      -0.21291491       0.45463837       0.02432798
Cl       7.32271998       5.43008001       2.85942001      -0.14030710       0.30028874      -0.03105022
Cl       3.67366994       1.52123005       6.38733002      -0.37716961       0.01225293       0.34392623
Cl       3.29477998       6.07534002       4.18246996       0.64677037      -1.46321433       0.35874970
Cl      10.77179996       6.39342002       8.85251005      -1.08341547      -1.14534459      -0.78957098
Cl       9.17141999      11.48020003      11.61230001       1.12704317      -1.89451876       2.47615931
K       10.37529997       3.45144998       8.33470005       0.25409808       0.13615310      -0.12300202
K        4.76881998       9.92978006      12.05429996       0.27171938       0.99206045       1.07309588
K        2.49466003       3.43931001       9.67430997       0.31702704      -0.23206784       0.27489608
K        1.29097996      12.18439996      12.11109997      -0.07604345      -0.35989447       0.20215133
K        4.99005996      12.72800001       4.13142996      -1.20594808       0.68175900      -0.02555817
K        5.30758001      11.35370005       8.98943995      -0.47916114       0.10116227      -0.16854792
K       10.53509996       7.84468995       4.60890002      -0.07856587       0.40857598       1.15507475
K        0.90882904       4.56965006       3.89962000       0.25977919      -0.75003725       0.04903056
K        2.22869004       8.51379005       4.22928999      -0.51065438       1.12924938      -0.28230169
K        5.75345996       7.47016001       4.57930005       0.07818764       0.53508954       0.68884289
K       10.21619999       5.44709006       2.54295002      -0.70445721      -0.05418633      -1.49594524
K        0.28168094       1.48178005       5.85082002       0.13299837       0.40244888       0.22105760
K        2.33891002       7.36760999       8.68350005       0.01134935       0.06624919       0.21898072
K        1.12002996      11.40150006       7.08674006       0.10380802       0.97133690       0.29837448
K        5.31136997       3.89164001       5.95198999      -0.26834273       0.19999104      -0.24347122
K        6.73021997       4.21716000      12.73524048       0.35407708      -0.25056532      -0.39911187
K       10.53239997       7.94733999      10.76549994       0.01650804       1.28307105       1.76216225
K        7.80324994      11.82680000       1.34378997      -0.06295426       0.19642245      -0.55644043
K        9.79081001       1.90653001       0.89432304       1.79510258       0.79519795      -4.26859091
Li       7.29001995       7.66892998       2.21492995       0.05992747       0.14490329      -0.38551883
Li       7.83982000       2.52781999       4.31517005      -0.41699231       0.31756197      -0.61781191
Li       4.27051001       1.38166001       0.09495616      -0.75229935      -0.49046772       0.71072064
Li      11.94040002       6.13124997       7.22204000       0.40957251       0.24141926      -0.98239451
Li       6.50495994       7.46227006       8.47242998       0.18492182      -0.91382222      -0.36425877
Li      11.35760001       9.75368000       1.47495999       0.32705322      -0.29115465      -0.07760391
Li       8.67281994      12.41050004      10.07899996      -0.70648172       1.98190771      -2.20157411
Li      10.68690000      10.91740000       7.59103004       0.48680448       0.03829751       1.54999119
Li       2.84099998       6.80867002       0.05301312      -0.52482619       0.58372288      -0.14259713
Li       4.58163002       4.97581001       2.14475996       0.32117213       0.22524897       1.29200759
Li       6.76174997       2.74984004       8.56633006       0.28537731      -0.10121798       0.38439248
Li      12.31822187       4.94348000       0.29111312       0.94837625       0.35372467      -0.33037165
Li      12.30730003       0.50369102       2.10115996       3.94435065       8.87027960       2.74572823
Li       7.89335994      11.63549995       6.01044005       0.02430684       0.06689148      -0.89409684
66
Lattice="12.79008693 0.0 0.0 0.0 12.79008693 0.0 0.0 0.0 12.79008693" Properties=species:S:1:pos:R:3:forces:R:3 energy=-564.31086876 stress="-0.030634336460041798 -0.0008366111155277694 0.0025740453932855192 -0.0008366111155277694 -0.01583904133323876 0.0021535956618048287 0.0025740453932855192 0.0021535956618048287 -0.013669269970413489" free_energy=-564.31086876 pbc="T T T" config_type=melt 
Cl       5.80475998       6.59241996       4.95022997       0.40892847      -0.05728224       0.03399815
Cl       3.46665995      10.35770004       3.68091002       0.12408067       0.31890774       0.52263314
Cl       7.26892999       8.43641002      11.23549995      -0.41595275      -0.17411233      -0.37708651
Cl       9.26646006      10.22110000       7.47769005      -1.01875170       0.09730665       0.56702307
Cl       0.00851308       1.38409998       0.88520806      -1.07965196      -0.50079736      -1.49462380
Cl       0.67012394       6.02372997       4.77466006       0.90553482      -1.82143473       0.90577392
Cl       7.75656996      11.29659999       2.45301998       1.85988892      -1.48138571      -0.99211965
Cl       8.23657003       4.76757998       8.93133996       1.04079568       0.46673665      -0.03243034
Cl       4.24135999       1.70571004       7.00210998       2.23786428      -0.77152016       0.45727514
Cl       4.97154004       4.42890001      12.23820005      -0.09182967      -0.47991940       0.09831616
Cl       8.84287003       1.84773999      12.42249996      -1.32580430      -1.14177363      -2.72778982
Cl       6.25621001      11.98490005      11.22929996      -1.06999714       0.59736955       0.90672617
Cl       2.75858002       4.34939005       8.41070003      -0.04882711       0.00373797       0.15546427
Cl       1.38895995       0.44356904       9.02164999       0.49510329       0.35732609       0.36544265
Cl      12.02960000       8.44709998       6.88595002       0.03671413      -0.43310569      -0.22336337
Cl      12.16839994       4.50289003       8.13047997       0.68089022       1.09547015       0.34604415
Cl       1.58383995      10.63020001      12.52759994       1.30241028       4.39821535       0.26769568
Cl       1.81484005       4.58426005       1.95794002       0.93977081      -0.20331964      -0.61947195
Cl       3.20580996       0.94849494       1.61399002       0.86598057      -2.00370028       2.36414133
Cl       0.34962803       8.22106000      10.41080001       2.36108998      -0.16068293       0.46500667
Cl      10.98890004       1.97443002       9.28123005      -3.53858548      -1.53802935       2.53340185
Cl      10.46890000       4.56874005      12.51739997       0.11810809      -0.25366436      -0.99759007
Cl       0.72031403       7.96674997       2.17359994       0.83641743       1.04006518      -0.37651302
Cl       4.03677002       9.45948997       7.66245001       0.13345763      -0.89894363       1.09084143
Cl       9.74877002      10.86760001      11.97520005       0.30243482       0.40125576      -0.71758009
Cl       0.02724161       0.35657598       5.98229994       0.71043484       1.95480489      -1.30802670
Cl       7.17756004       1.22557005       5.47491003       2.38469417      -0.97483910       0.50663190
Cl      10.69320001       3.44520995       3.32264997      -1.73064098       0.61170082       0.00765536
Cl       5.16636005       2.78064995       3.55454997      -0.69443783       0.25721118      -0.77416407
Cl       4.43860002       7.70424994       1.31754996       5.59424613      -2.14653265      -6.09961128
Cl      11.57280000      11.35580006       2.31576994       2.19666336       1.29091780       2.11381720
Cl      10.00130005       7.71570001       0.28483396      -0.09817439       0.29352659       0.09296976
Cl       9.98913003       8.06617000       3.76262000       0.31801942      -0.28491557       0.58481726
K        2.41551996       2.31060006      12.63209994      -0.79930933       1.66941252      -2.40546905
K        5.64414002      12.46199997       2.10171006      -2.60832111       0.71774353       0.05513610
K        1.39016005       6.90392994       7.66214996       0.46284786       0.05671190       0.04064739
K       10.84410002       5.99630995       6.24440003      -0.91171546      -0.25564694      -0.95167765
K        7.54028998       0.15993901       9.08561002       1.01150091       0.39577601      -1.07527368
K        7.51009002       5.88176999       0.03476000       0.45720440      -0.18419841      -0.78416874
K        5.57042998       4.73087998       8.87123998      -0.58412562      -0.10370755       0.25118741
K        3.33485005      10.75200001      10.30020003       0.17912788       0.13273921      -0.17451844
K        1.46582006       4.91636003      11.15900001      -0.32891537       0.44029393       0.21489314
K       10.67060006       7.97852005       9.97637000      -2.19672719       0.02349085       0.03599427
K        0.25265896       2.39945996       3.29521996       1.52781127      -0.32933226       1.38577375
K        7.81820002       3.41311003       3.68906997       0.85243603       0.32641512       0.29126746
K       11.88980000      11.10139999       7.13355997       0.00080909      -0.13422164       1.00546394
K        3.87078001       4.56755006       5.38249001      -0.76200201       0.19973515      -0.00754675
K       11.72730003       5.86925003       1.89889995      -0.12626287      -0.05935906       0.29864763
K       12.18820002      11.95380006      11.18099999       0.26443061       0.77239600      -0.03641549
K        7.25714994       8.18322002       8.25663000      -0.23960562       0.03218421      -0.25955878
K        7.61065003       7.95315002       2.11251001      -0.28916356       0.74570849       0.48254703
K        9.26345004      10.95370006       4.57531006       0.88734336      -0.00616306       0.84148028
Li       3.38132001       8.06486004       2.55303002      -5.59323049       2.11934747       6.11283685
Li      12.59959994       7.78039994       4.45115003      -0.78364363       1.84444108      -0.67567893
Li       7.09453997       1.41791006       0.01973510      -3.04971115      -1.00298513       0.10498430
Li      10.27790001      10.53610001       1.25173997      -2.06396683      -1.75655295      -1.28208577
Li       5.25821002       1.44202999       5.47018998       0.04494943      -0.07441786      -2.83367206
Li       7.69371999      10.54969997      11.91920006      -0.28054051      -0.68913836       0.20411947
Li      10.29330004       2.43812004       0.50732698       4.42089530       1.63589265       2.38197342
Li       1.13995001       8.89258996      12.62399998      -1.41888590      -4.43734781       0.69622335
Li      10.43730005       4.26648996       9.53632002      -0.34828068      -0.65183084       0.47535599
Li       1.07346995      11.80560005       2.50927002       0.19018927      -0.13842346      -0.39371318
Li       4.16427005      10.79689999       6.17603996      -0.36305370       0.48434558      -1.71814003
Li       4.43683000       4.40161006       1.85954000      -0.84270485       0.05692865      -0.19194094
Li       2.72457003       2.12223994       7.85151001      -4.27049189       0.57912099       2.43570286
Li      12.45340004       2.35819006       8.24757999       2.82023767      -0.26795163      -2.16967977
66
Lattice="12.79008693 0.0 0.0 0.0 12.79008693 0.0 0.0 0.0 12.79008693" Properties=species:S:1:pos:R:3:forces:R:3 energy=-566.98982603 stress="-0.018395895619350185 0.005616557877062739 0.0008001126114047962 0.005616557877062739 -0.01169539977474124 -0.0008630739283347806 0.0008001126114047962 -0.0008630739283347806 -0.019945220461426924" free_energy=-566.98982603 pbc="T T T" config_type=melt 
Cl       2.00854003       6.89388998      10.44369995      -0.41791432      -0.89815861       0.20517648
Cl       2.55318005      10.97150003       4.78788002      -1.56542552       2.65702375      -1.01273358
Cl       5.56395001       6.97434001       5.49913995       0.64209627       1.71068906       1.14026830
Cl       6.13846000      10.74120006       6.05131998       0.27431052       0.35382049       0.37622421
Cl       9.63468001       6.78769005       0.00221307       0.49184630       0.08639536       0.50548185
Cl       9.50733001       6.83425006       3.91045998      -2.80675282       0.14360316      -1.24419034
Cl       0.21200400       0.15029900       0.36547699       3.26641467      -2.46791201       1.15845223
Cl       4.04620002       0.56773597      10.84770004       0.12332529       0.01019795      -0.34585191
Cl       3.22408994       0.27448294       2.34781998       0.26022952       0.26254973      -0.58657052
Cl       5.75230003       7.88501006       9.76514005       0.18976924       0.15990253      -2.21601087
Cl       8.28001002      11.24669998       2.31897002      -0.48069644       0.45085668       0.45713260
Cl       7.26672997       9.88764005      12.11519996      -0.99993027       0.07051162       0.66973988
Cl       4.94999003       4.15961995      11.74240001      -2.26518673       1.13104958      -3.04643060
Cl       0.79308502       7.45910004       7.34290005       2.04676489       2.58198731      -2.51489342
Cl       9.07829998       9.39566002       8.85107999      -0.04824303      -0.34601995      -0.94372056
Cl       0.42600301       2.73896002       8.88072997       0.55986338       0.09624189       0.50130546
Cl       2.57838995      10.52139998       8.34543004       0.28463635      -0.14419320       0.28859126
Cl       3.88473003       3.44690003       2.51138997      -0.41337024      -0.79715722      -0.60262387
Cl       2.41775004       9.84901002       0.18826701       2.78553922      -1.55413866       1.85453899
Cl      12.68390005       8.07710003       3.56880005       1.13347867       0.59989658      -0.92081699
Cl       9.87440001       0.74350195       8.04228004      -0.23544878       0.02041972      -0.42837195
Cl       5.73706000       1.77745002       7.16688006       0.37784925       0.23378702       0.05508914
Cl       2.77374996       4.62216002       6.25938004       4.54300333      -1.59514186      -0.77399569
Cl       8.56490000       2.85635000      11.74680005       0.49655340       0.01115723      -0.48310900
Cl       7.62037997       3.67133997       1.84346004      -0.39802265       0.41507322       0.37345936
Cl       0.74633304       0.90482204       5.24588997      -0.06267416       0.57384513      -0.31001132
Cl      11.89470001       4.83486006       6.26747002       0.41711680      -0.50623951      -0.04219842
Cl       8.68016005       4.81913004       8.46022005      -0.05236834       0.06541903      -0.20149155
Cl       8.61484005       2.83156000       5.20767997      -0.62900326       0.62051154      -0.50610138
Cl       3.98621004       7.07068006       1.68549006       0.48968576      -0.60604672       0.95722264
Cl      12.74040000       4.10421995       1.78613999      -0.50237608       0.20119002      -0.38291788
Cl      12.03279995      10.10290003      11.15360004      -0.65417405      -0.41635055      -0.52149437
Cl      11.94060005      10.64690003       5.53721003      -1.16417704       0.12551602      -0.10447600
K        7.67551995       6.25049003      10.87279995       0.59638782      -0.26260110       0.03687045
K        4.23844002       7.68831004      11.85709997      -0.21361037       0.33647379       0.90813368
K       12.15199998       6.70174003       9.09817999      -2.61282907      -1.28807044       2.98141060
K        5.36782004       4.85227005       4.21721001       0.91351147      -1.54688364      -0.50270079
K        5.30047998      10.95879998       9.67900994       0.31406877      -0.12025865      -0.28531460
K        1.07410997       6.86842006       1.21841003       0.05455494       0.05507422      -0.47858796
K        3.31192996       4.31490005       8.99093000       0.15185436      -0.39881921       0.46945604
K        2.46952994       2.10324001      12.66310004      -0.51692157      -0.02359212       0.40656128
K        5.12370998      12.12880004       0.43727299       0.37720608      -0.46527269      -0.00564941
K       10.34889995       0.86224998       4.91864996       1.08182351      -0.83743684      -0.32248275
K        5.67121996       0.80645003       3.66074006       0.71317878       0.25291768       0.48266121
K       10.34290000       7.15524006       6.32804004      -0.34116934       0.74037650       1.62543931
K        3.48600995       0.03859690       6.86445999      -0.06402099       0.29831263      -0.24858098
K        3.51363999       8.89715001       5.33593998       1.46853553      -3.13702496       0.97602726
K        1.63916002       3.64434994       4.12877001      -1.38340160      -0.94366874      -0.68688235
K       11.08560001       1.37105000      12.56880001      -3.38835295       2.30032202      -1.13342955
K        6.96166005       8.38787996       2.28147997       0.25478809      -0.07948764       0.18751940
K       10.44210004      10.10749998       0.94000296       0.36128992      -0.39894754       0.12860865
K        0.20238394      12.12089999       7.62770996      -0.38570668       0.39701073       0.63518680
Li       9.66614004       4.58137998       1.11167995      -0.50289470       0.17262329      -0.04560124
Li       1.12658999      10.62649997      11.93889999      -2.30492032       2.23504304      -1.52643417
Li       6.48127999       7.47636998       7.40026999       0.13576797       0.28341547       0.56434567
Li       8.86643001       9.96348002      10.84939997       0.89620902       0.00353898      -0.42096305
Li       6.62117003       3.52956006      11.19129997       2.87795238      -1.73750935      -0.86633248
Li       8.05475997      11.92460004       6.83350005      -0.11029381      -0.12765004       0.31659765
Li       8.01217998       2.73994998       7.22424002      -0.26694405       0.05683346       0.67508538
Li       1.50158000      12.05450000       3.08874000      -0.43532422       0.04670757       0.46039807
Li       4.58213996       4.27374002       0.74397800       0.03676606       0.97816139       3.69143184
Li      11.39710002       6.57549995       3.66842997       0.93791295      -1.87714555      -0.42653527
Li       2.03264998       8.77167005       9.44212001      -0.29325331       0.07760622      -0.34028163
Li      11.26469998       2.86934000       7.95380999      -0.45847671       0.11367414      -0.34430137
Li       1.34672005       5.50903002       6.84561994      -4.09823725       1.33344228       0.95004694
Li       0.27141306       8.89093006       5.42968006       0.51783017       0.31254879       0.78362521
66
Lattice="12.79008693 0.0 0.0 0.0 12.79008693 0.0 0.0 0.0 12.79008693" Properties=species:S:1:pos:R:3:forces:R:3 energy=-571.3270336 stress="-0.012448807204564599 -0.0018883132238500333 -0.000961600075796088 -0.0018883132238500333 -0.01136535208640588 0.0008714697629920628 -0.000961600075796088 0.0008714697629920628 -0.02114957465992753" free_energy=-571.3270336 pbc="T T T" config_type=melt 
Cl       2.43542005       6.09234994      11.01500001       0.00299103       0.06164453      -0.14335630
Cl       1.74378996       0.88934501       2.07128001      -0.25119742      -1.00737379       1.16932989
Cl       2.86321994       5.23353001       5.84566997       0.35447943      -1.73372397       1.19954316
Cl      10.53840006       4.91961997      10.28609999       1.82419220       0.66438872       1.48099937
Cl      10.24299995       7.40942002       1.32078994      -0.14806867       0.27668235       0.07879323
Cl       0.35636802       1.42520003       7.22194996       0.27176237       0.28005572      -0.31834552
Cl       1.98619997       9.47563004       2.38725003       0.07918743       0.63112780       0.61031809
Cl       4.74683996       0.19758497      11.49270003       0.20353324       0.65506799      -0.16303606
Cl       4.49870997       0.85402301       6.05550004       0.94611941      -0.31698867      -1.27548498
Cl       9.28109998       9.37980006       8.30016004       0.52767443       1.66283749      -0.39503571
Cl       1.36824999      11.49179999      11.97279999      -1.89980217       0.40176410      -3.92563033
Cl       4.51860994       3.16097994       1.39778997      -0.46525694       0.33726945       0.52746363
Cl       0.68295995       2.81697994      10.69289996      -1.12375480       0.09330734      -0.72539884
Cl       9.36425997       2.97787002       0.23107505       2.28239723       0.43229529       0.01845158
Cl       6.47301004      10.22449999       9.96035003       0.17400904       0.59101470      -0.23098308
Cl       4.21717995       9.71736997       6.11763006      -2.34143619      -1.05410055      -1.21144946
Cl       5.31955997       7.17605004       1.93989998       0.58095262      -2.59354133       0.09267601
Cl       6.10294001      10.60670002       3.14404996      -2.16277114      -0.40668862      -1.14970707
Cl       4.30748001       9.39588001      12.77880006      -0.67522530       0.47381607       0.21213322
Cl       9.17842001       9.71444002       4.64708994      -0.10987870      -0.21150951      -0.07412005
Cl       9.81373995       2.81442998       7.20949996      -0.18517722      -0.04004094       0.14199461
Cl       9.46150006       3.98062000       3.57482994      -0.15895066       1.34371769       0.10245265
Cl       0.21544198       6.98565003       5.19419998      -0.09496857       0.81499446      -0.44270597
Cl       8.30605000       0.46971697       2.33601998      -0.39602119      -0.11240846       0.64107449
Cl       5.87087002       6.96486000      10.33859997       0.79465361      -0.16063650      -0.29863871
Cl      11.24309995      12.77979999       4.21645002       0.34430111       0.48596488      -1.18635327
Cl       8.62322996       6.34202996       6.49496001      -0.22872968      -0.74169716       0.37870945
Cl       1.29694999      10.19970001       7.94562996      -0.50016449       0.36172607       0.23152760
Cl       3.96449004       3.41441999       9.12873001       2.27178992       2.26886054       0.50680475
Cl      12.60459997       4.33611996       0.95011800       2.31368568       1.05004942       4.30682104
Cl      10.96989999       0.44114800       9.70472006       0.14469912      -0.66371578       0.40123252
Cl       7.31084004       3.67715997       9.37334004      -0.35623145      -0.19402859       0.63798208
Cl       8.56059000      11.18110001      12.30450002       0.18729358      -0.50480557       0.68114113
K        5.36072001       8.63700002       8.11118996       0.43855324      -1.21669282       0.85594966
K        1.53704000       7.07674001       8.00403001      -0.04952736       0.29144314       0.08029403
K        7.86971005       6.86526001       3.77114997       0.31311753       0.02031471      -0.52340289
K       11.84129999       9.94074001       2.75395998      -0.52512764      -0.22589114       0.25364019
K        2.45409000       1.79283995      12.44339998       0.87064431       0.03435462      -0.16390110
K       11.44949998       4.85971005       5.92294997      -0.63529416      -0.35452677       0.08019825
K        6.85808004       3.24530000      12.71860006      -1.23195808      -0.09660805      -0.52275370
K        3.18713004       1.26601998       8.29818998      -1.68582954      -2.67886117       0.29848941
K        2.01735995       6.97624996       1.13762004      -0.16870002      -0.71798174      -0.98329344
K        6.62981996       3.14127003       6.60988994       0.03206292       0.15338470      -0.11725135
K        1.31446998       3.37215003       3.77415001       0.25791236      -0.23982554      -0.01978415
K       10.48259998       0.30808697       0.56050701       0.51439763       0.03079353      -0.31770469
K        8.85366998       8.54835001      10.67400005      -0.21589244      -0.67896470       1.83359517
K        8.07620997       0.02595326       9.92095004      -0.35759561       0.10214048       0.09002493
K        2.24196001      11.45750005       5.13140002      -0.51466439       0.46487334       0.02994287
K        2.99528999       7.16818005       4.22135003       0.26538868       1.45063579      -0.59699586
K        6.31436002      10.94880005       5.62124001       2.46582759       1.64158963       1.67235292
K       11.12489998      11.93420002       6.77646995      -0.03630035      -0.32120642       0.89575438
K        5.47783998       0.92671598       3.16279000      -0.17927770       0.09293245      -0.43809389
Li       4.79846996       9.02238005       2.22187996      -0.70351255       2.29309599      -0.14003938
Li      11.58589999       2.40183994       8.71835994       0.23378718      -0.12240667       0.10525657
Li       9.24459003       4.60561003       8.89851996      -1.33917728      -0.47766320      -1.85620747
Li      10.29190004       2.11247995       3.52216995      -0.12559904      -1.60008919      -0.04602662
Li       5.55926999       4.90495997      10.15830003      -0.45906436      -0.89150668      -0.54362630
Li      11.77399996       4.00790995      12.17599994      -1.99397466      -1.24939073      -4.57562925
Li       5.17242000      10.90180006      11.53140002       0.14777347       0.28449474      -0.09840533
Li       9.29150996       8.36054997       6.60927000       0.29897401      -0.17872144      -1.46488325
Li       5.21955006       7.58436999      12.18729998      -0.25075567      -0.17885996       0.82232540
Li       0.04137094      11.76429996      10.02460001       0.26293610      -0.02584570      -0.19811711
Li       1.97497002      11.31550003       0.88411297       1.54183868      -0.08905981       3.73407296
Li       2.21557995       4.08318998       9.83720004      -1.00719713       0.94542604       0.77655888
Li      10.50809996       5.21230998       1.23933001      -0.43454351      -0.36025967       0.40790361
Li       7.80095003      10.64570006       2.15666996       2.06469092       0.75355713      -1.20944658
66
Lattice="12.79008693 0.0 0.0 0.0 12.79008693 0.0 0.0 0.0 12.79008693" Properties=species:S:1:pos:R:3:forces:R:3 energy=-570.57408868 stress="-0.013116861791121702 -0.0024860062544235575 -0.0005792432981181596 -0.0024860062544235575 -0.004393660092534038 0.003745266902598907 -0.0005792432981181596 0.003745266902598907 -0.012597095812022476" free_energy=-570.57408868 pbc="T T T" config_type=melt 
Cl       2.93687997       6.17004998       9.12408005       1.11505739      -0.85340269      -0.26316210
Cl       5.18978996      10.08280002      10.89079995       0.61343866       0.68093267       0.19989333
Cl       3.09424997       2.37654997       6.61906005      -1.80024234      -1.36331508       0.36280150
Cl       2.74830996       7.98419002       1.58031001       1.82922344       0.88870206       0.82916250
Cl      12.03130006       3.38530003       4.84627994       2.79901025      -0.41972692       2.07009750
Cl       3.23102997       5.08075997      12.17479997       0.48649420      -0.29042875       0.14944835
Cl       4.19134999       5.27611998       3.34091997      -0.07201877      -0.87060216       0.67395048
Cl       2.64056000       0.98217994      11.79920001       2.15400892       0.04145820       0.73468241
Cl      11.74509999      12.35609997       5.17242000      -1.32757395      -1.31387435       1.58934750
Cl       8.84764994       6.29843994       1.12430006       0.62425617      -1.52464700      -0.88001935
Cl      10.33270003       7.20376002       7.55106997       0.01769565      -0.47827432      -0.09555622
Cl       9.14380006       2.01239995       6.40532004       0.21563919      -0.19041040      -1.53268618
Cl       0.43690003       1.18216996      10.07790001      -1.27428945      -0.05015455      -0.87913835
Cl       9.43030005      11.61769998       9.93336001       0.69301591       1.27217602       0.17221375
Cl       1.54010003       9.81346995       7.98941004      -0.40293829       0.25359246       0.44746786
Cl       3.22501006      10.05629998       5.31548006       0.03205764      -0.09834734      -0.82169461
Cl       6.17661999       7.98173995       2.00251999       0.48525674       0.52002668      -0.90761351
Cl       0.41470105      10.74899996       1.14658998       2.13843302       0.09234639       0.01485284
Cl       9.22643003       9.32426997       4.11975006       0.03567868      -0.06249557      -0.12806224
Cl       6.87502000      12.55650004       3.51629994      -0.62598161       0.02667957      -0.33335613
Cl      10.35470000       3.49078998      11.03129995       0.09141770       0.97631959      -0.79387366
Cl       1.94927998       0.58126098       2.48512003      -0.99054117       0.54121767      -0.72744758
Cl       0.08301304       6.34420006       2.20789004      -0.24021497       0.07941466       0.41428610
Cl       7.42710001       1.80690994       0.39020394       0.26135913       0.10171908      -0.03141159
Cl       5.26673001       6.81018999       7.39912003       0.73675578       0.36974010      -0.69701833
Cl       8.00590004      10.34790002       7.21848001      -0.29406754      -0.31022038      -0.22263158
Cl       7.58283006       5.84734994       5.08574004       0.81875778      -0.09307595       0.09728269
Cl       5.08855003       0.22924901       8.23496999      -0.73902243      -0.47533767      -0.27503353
Cl       1.04364999       7.67323001      11.11869999      -0.58078436       0.41431486      -0.40698560
Cl      11.67919996       1.61362998       1.54977995      -0.04207487       0.02835033      -0.18959711
Cl       7.39696004       7.02296997       9.92065996       0.37873846       0.09459362       0.86356009
Cl      10.50300004       8.94690997      11.97630000      -0.61832934      -0.55946279      -0.14321319
Cl       6.44301000       3.68728000       9.88820000      -0.08699939      -1.31162453      -2.11976342
K        8.85256006       4.17298994       7.91968002      -0.09711361       1.51595273       0.78734779
K        0.06120108      11.03710000      11.12399994       0.04487382      -0.12719831      -0.66854711
K       11.82459998       6.28382995       4.97380005       0.11479543       0.25801293       0.13071088
K       11.08529995       9.97012997       7.16674001       0.08163284       0.37191962       0.02097828
K        2.92156000       3.24233001       1.32383999      -0.09495652      -0.55500451       0.85414448
K        4.00449001       7.56864995      11.41139997       0.16321378       0.89953689       0.04875277
K        6.50491006       4.71939000      12.18670000       0.33760999       0.34055416       1.96159541
K        5.19474996       3.69181997       5.96245996       1.30107824       1.18289891      -0.56548368
K        1.47739995       4.00394004       9.55425006      -0.29548989      -1.21004721       0.35934965
K       10.04709995       3.70493006       3.53884004      -2.97872862       0.07082789      -1.87134592
K        7.75262998       0.73262897       8.21660995       0.13562690      -0.84837286       0.77086448
K       11.84420002       6.00318999      12.51939996      -0.74101821      -0.52151325      -0.77659118
K       10.86080003      10.24680002       1.86329005      -1.80409946      -0.18701829       0.45314742
K        5.91413006       0.56133696      10.99259996      -0.50883706       0.17112120       0.13724638
K        4.96028004       9.97392006       7.92681996      -0.03105116      -0.23210285      -0.04774855
K        3.73391994      12.54880002       4.11266997       1.68698337       0.15936179       1.13179845
K        5.45227004       7.92468005       4.67229997      -0.44842522      -0.03701381       0.37097284
K       11.72569999       1.58397003       7.61336997       0.31242641      -0.10850801      -0.29263513
K        6.17795003      11.08140000       0.78771805       0.03878985      -0.10619751       0.33609452
Li       8.57582005       7.72696002       2.53667994      -0.81625386       0.80413590       1.15089951
Li       5.39575001       5.54060004       9.21745996      -0.11189630       0.35112133      -0.28144904
Li       8.12975004       7.54529998       6.80163994      -0.11072829       0.03472223       0.02179107
Li       8.51285995      11.77930005       4.57203004       0.46985183      -0.58929863       0.61644883
Li       1.77140005       7.68194006       8.54996003      -0.83564608       1.27866806      -0.01862173
Li       8.44051001       9.84158000      10.10679998      -0.51525662      -1.16766525      -0.12039854
Li       0.90604196       1.09967006       0.16657106      -0.71151904      -0.32352768       0.51012961
Li       2.96562006       0.01874157       7.49187003      -0.07685139       0.51304201       0.22745714
Li       4.67766004       6.32866995       1.63575005      -0.49058342       0.66551970      -0.26076972
Li       9.01290004       6.90047995      11.81269995      -0.15876483       0.72988226      -0.66722286
Li      10.27969996       2.33523006      12.75370003      -0.56964301      -0.69658002       0.45762640
Li       2.00134996       9.87138001       2.75045000      -0.01177899      -0.19509921      -0.09149682
Li       0.01194863       0.39354100       3.79194998       1.14685931       1.49153146      -1.95295917
Li       1.15764995       7.58522002       0.45558302      -0.85631641      -0.04984518       0.09713094
66
Lattice="12.79008693 0.0 0.0 0.0 12.79008693 0.0 0.0 0.0 12.79008693" Properties=species:S:1:pos:R:3:forces:R:3 energy=-571.06902048 stress="-0.009176761612373666 0.0030344399468096397 0.002199712936917173 0.0030344399468096397 -0.012213193362058576 0.0023422418735121768 0.002199712936917173 0.0023422418735121768 -0.004748763314372288" free_energy=-571.06902048 pbc="T T T" config_type=melt 
Cl       4.12516001       7.85708994       0.31702405      -1.71472380       2.71610095      -0.83441199
Cl       6.65739002      11.64710004       7.21052994       0.31731474      -0.22462649      -0.00120961
Cl       8.60505000       5.37678001       5.29260998       0.52020781      -0.56428865      -0.29651204
Cl      11.15999994       1.61287997       0.40584506       0.81928593      -0.28099516      -0.45523031
Cl      12.34183992       7.84551005       0.85609603       0.29800320      -1.48210096      -0.17874948
Cl       0.90738594       3.03372996      10.34349998      -1.19307487      -0.37727442       0.34214598
Cl       7.02409000       5.93437996       9.29624996      -0.41241198      -0.87308221      -0.20683313
Cl      10.00829994       0.90016197       7.66121999       0.39164697       0.15763771      -0.06709547
Cl       7.27830999       7.25249000       1.52005003      -0.04632559      -0.26368047       0.34755326
Cl       1.55859002       8.52663002       5.06714006      -0.42866605       0.04853367       0.43712030
Cl       7.67543003       1.31258996       2.88034996       0.26647672      -0.90848638       0.06437696
Cl       4.72714003       7.60391004       7.69160003      -0.47871030       3.66397871      -0.67800022
Cl       3.55772997       1.85726003      11.41539995       0.33652871      -1.21490636      -0.16953002
Cl       3.97248001       1.75626004       8.17195003      -0.48178710      -1.82569906       0.14482950
Cl       5.33907995      10.34870004       4.35373996       0.49255655      -0.50434943      -1.59747674
Cl       9.24072999      10.78219996       1.18603000      -0.35337473      -0.56506258       1.14162481
Cl       4.11337995       4.57571998       1.80618001       0.15435437      -0.21691807       0.20772125
Cl       1.51867996      10.26319998       8.10185997       0.50969316       0.79313990       0.86011661
Cl      11.14750006      11.63380002      11.26129999      -0.14326420      -1.49959679       0.00003439
Cl      11.38999998       0.58210295       4.22954003      -0.91447236       0.59658581       0.06066151
Cl      10.54640000       4.78329004      10.43619997      -0.64548613       0.39083703       0.10138173
Cl       9.18625995       9.30873999       5.46311002       0.74816120      -0.38114599      -0.22647818
Cl       3.46381006      12.74649998       2.24002001       0.53984333      -0.01956032       0.68527907
Cl       0.15690201       4.26487994       6.01740003      -1.04949305      -0.40331894       1.03243811
Cl       8.36955995       0.23399694      11.13000003      -0.94372411       0.52729670       0.52720586
Cl       4.04216999       4.31443001       6.84986996      -0.13080503       0.77443279      -1.07577123
Cl       5.16418996      10.77799995      10.38499997      -0.14481457      -0.86454661      -0.01016485
Cl       0.51294298      10.90399996       1.59368000      -0.32150797       0.54543461      -0.06719735
Cl       0.38269398       4.51481998       1.74227997       0.05818924      -0.45214960       0.06866298
Cl       7.46427005       3.65984999      12.48329994      -0.30845302       0.43982214       0.09140901
Cl       3.40599005       6.13263002      10.29579999      -0.78032018      -0.86683896      -0.19984766
Cl       8.76183997       8.55256997       9.16155999       1.18969438       0.22540234       0.22115571
Cl      12.52860192       7.35720999       9.13735002      -1.11788024       0.25076601      -2.08639757
K        9.58655002       3.48459997       1.42493003      -0.01396434       0.72729956       1.05567953
K        0.83176903      11.97459994       4.44263004       0.97856745      -0.69458486      -0.29535728
K        8.56796003       6.63481002      11.70679995      -0.01401754       0.05730180      -0.02229317
K        3.97731005      10.62309998       6.58343006      -0.60791076      -0.40832329       1.19982690
K        2.21184000       4.45757002       4.35622994       0.56978212       0.17929875      -1.05736735
K        5.41597996       0.52938694       4.88183997       0.05556183       0.10401051      -0.00301475
K        1.26843999       1.41476997       1.35082004      -1.04207775       0.05512589      -0.14152888
K        9.84280005       5.99305999       8.09286995      -0.19098027       0.22811323      -0.70935085
K        1.94490999       6.73079003       7.38224006       0.01428339      -0.22093520       0.06373113
K        6.65840005       3.76148002       3.38312994      -0.27766076       0.94377913      -0.22676805
K       10.69830006       7.14190000       3.89239002       0.05013322      -0.12645958      -0.35624129
K       12.03279995       9.64591994       6.68915996      -0.86698014      -0.23138068       0.19777630
K        0.30191601       5.62487994      11.00050001       0.91189164      -0.26290866       1.82405302
K        6.22318000       2.94603000       9.92742003       0.10211612      -0.16022668       0.12663586
K        0.79018705       8.90372002      10.93389998       0.44728365       1.15583533       1.05087664
K        0.42611095       0.20237294      10.45790002       0.82973624       0.43339055      -0.40225607
K        6.29012996       6.81773998       5.37333999      -0.27679009       0.68640139      -0.30261798
K        5.73461006      10.71820003       0.64118906       0.21475981       0.06987621       0.13792060
K        2.43416995       8.96829998       2.53665999       0.30719068      -0.07154500      -0.86118106
Li       4.21878997       8.04975994      10.49170000       0.60063799       0.54648896       0.15315582
Li       5.27695005       6.36256995       0.58138402       1.71124348      -2.21126288       0.63603963
Li       7.36432997      10.30420001       5.26429004      -0.51841914       0.48849702       0.57733777
Li      10.79980002       3.03700998      11.39479998       0.15216195      -1.48322401       0.32622177
Li       9.87260006      12.57909999       0.28996700       0.03178726       0.39993030      -1.35913235
Li       3.32274001       2.94110006       0.34399604       0.56423362       1.07331976       0.59526069
Li      11.38649998       9.60729004       0.70678404      -0.57798794       1.84300728       0.02123387
Li       9.27304005      12.43270005       9.31899995       0.22729977      -0.30458402      -0.02654049
Li       2.09388994       3.23058999       8.68633996       1.17527740      -0.02856132      -0.95034412
Li       3.85999004      12.39101997       9.65813997       0.28300943       0.98822551      -0.12299229
Li      11.36660001       1.99776003       6.26828002      -0.04567827       0.16739095      -0.38673861
Li       9.03866004      12.30353591       3.07693001       0.52910177      -0.00764177      -0.04943512
Li       7.01379001       9.57275003       9.04605003      -1.03479258       0.88910667      -0.27953076
Li       5.13456006       5.77110005       8.01129004       0.67853971      -2.16610174       1.40412975
66
Lattice="12.79008693 0.0 0.0 0.0 12.79008693 0.0 0.0 0.0 12.79008693" Properties=species:S:1:pos:R:3:forces:R:3 energy=-567.10862517 stress="-0.01488838850868345 -0.007110023977451364 -0.007380070446974782 -0.007110023977451364 -0.01819619934002223 -0.003312230206773468 -0.007380070446974782 -0.003312230206773468 -0.014064155185805095" free_energy=-567.10862517 pbc="T T T" config_type=melt 
Cl       6.71188999       3.80541001       0.65825103      -0.09592967       0.00813184       0.16440286
Cl       5.23526997      11.89029997       0.88288499       0.55085059       1.41241959      -1.04140298
Cl       1.35847005       9.49648005       5.92153002       0.61540934      -2.11170454       0.21245000
Cl       9.54189995       0.70057701      12.39520003      -0.53300508      -0.25614860      -0.22447077
Cl      10.80989996       7.08729004       6.70588005       0.31764193       0.51312855       1.48768908
Cl       0.22788597       4.34307994       4.70692005      -4.88453305      -2.26884672      -0.32527981
Cl      11.41860003       3.21174994      10.33789997       5.24217143       4.25988742       1.67603072
Cl      11.36310000      11.39870006       5.52513005      -0.31128653       0.58832908       0.49844880
Cl       9.25214002       2.50976000       3.08755998       1.64313139       2.18961955       0.60903411
Cl       6.84542003       9.21546995       6.58114997       0.25385906      -0.44534696      -0.57849550
Cl       3.58051999       9.08436005       8.89307995      -0.86626928      -0.12128915       0.75904117
Cl       9.79250994       9.76721997       8.50261995      -0.34039297       0.51150997       0.94139681
Cl       2.55246994       6.70165996       4.22336997       0.01285361       2.97152226      -1.37541049
Cl       2.04920995       0.45871097       4.78027005       0.33379514       0.42994784       0.81802281
Cl       2.96724005       9.40475006       2.33513004      -3.18117257      -0.81919161       0.67407147
Cl      11.61769998       9.03987996       3.75318002      -0.41600423      -1.23365152      -0.98130928
Cl       9.18011994       0.80908197       8.75997006      -0.50621600      -0.90296178      -0.00642501
Cl       5.77781996      10.58450001      10.21660006       1.73662014       0.90744344       1.97939189
Cl      10.92360000       5.45113006       1.64756004      -0.12582148       0.58018523      -0.27920596
Cl       1.03798002      12.00229994       8.55733006       0.13278372       0.22952271       0.13195672
Cl       5.37626994       5.22362000       6.67938002       0.87648127       0.23043350       1.84281084
Cl       6.12854998       8.71832004       1.68481999       0.81447509      -0.63901532       0.03090271
Cl       9.87677999       3.51794999       7.48090995       0.19802516       0.67537891      -0.77000738
Cl       1.17489994       5.53140001       7.61531995       2.85160784       0.67002727       2.27209082
Cl       0.11981996       7.72637001      11.15920005       0.14926189       1.98488271       0.99835448
Cl       4.62944001       0.52984700       8.48668005      -0.03369119       0.12704123       0.09115925
Cl       7.50843997      12.28090001       4.95652001       0.40053290       0.21969089       0.71602510
Cl       4.43864005       3.58849001      10.51870000       0.13536719      -0.54722526       0.15683274
Cl       3.92112998       4.13050997       4.42993000      -0.49927797      -2.02515920      -1.10413600
Cl       5.71454996       7.22408002      11.25960006      -0.04709271       0.15402101      -0.04548802
Cl       0.88164205       0.59531396       0.80363403       0.16530982       0.70245104      -1.03077158
Cl       1.45680996       5.39999005       0.64860206       1.37214695      -1.35028918      -0.57757346
Cl       9.62476002       9.71694994       0.44785999      -0.14146408      -0.07073959      -0.81609577
K        9.37050000      10.31760005       3.15869998      -1.22868133       0.69663825       0.29685324
K        3.84599999       1.24385002      11.99520004      -0.32207532      -0.17594853      -0.04021331
K        4.28458997       6.08586000       1.13385003       0.18428802       0.16594524      -0.25575348
K        5.47438999       2.12988995       5.86615994       0.00905986      -0.31269851       0.44018437
K        7.00475995       2.20423002      10.48350001      -0.06456232      -0.04456627       0.13393527
K        0.04205112       9.38543000       8.41110995      -0.14890488      -0.61567898       0.30721857
K       10.28650006       1.30927004       5.26872002       0.20763435       0.09382630       0.96110247
K        8.74928995       6.61504997       0.12373795      -0.66171447       0.14018989      -0.13386419
K        5.93140000       5.92089000       4.13595996       0.55028819       0.84084226      -0.76093677
K        8.33149997       5.91111006       8.09813998      -0.36896849       0.19380465      -0.08471938
K        1.21641004       1.98665005       7.73797995       0.15410148       0.16398371      -0.03742631
K        2.42266002       2.45000996       2.56293006      -0.17431500       0.25925334      -0.01728144
K       11.26259997      11.31410003      11.17049997       0.11153243       0.13592744      -0.13226153
K        3.16704999       5.78739999       9.71063995       0.34154539       0.97272501       0.15603297
K        3.64754005       7.75890006       6.56028998       0.52346337      -0.17544236      -0.45382464
K        7.50885002       0.92369304       2.51247994      -2.23173968      -1.45189564      -1.58634721
K        0.60181605      11.85859999       2.95439996      -0.46373395      -1.45894238       0.22168211
K       10.48459996       6.21580997       4.30345996      -0.22342799      -0.75123381      -1.19604345
K       11.18180001       2.72496000       1.02115005       0.47492099      -0.30179798      -0.60261798
Li       6.50874005       9.35542995       8.65030005      -0.08503935      -0.52797217       0.04460798
Li      10.10080002       2.15731995      10.01049996      -3.94852802      -3.28448689      -0.69247442
Li       0.03909584       6.58388999       1.35728006      -0.94611181       0.86470960       0.28709763
Li       4.03011994      11.22970003       9.29185005      -0.86428022       0.70197186      -1.12239316
Li      10.10479999       9.45258997       6.40858996       0.25942997      -0.08895432      -0.37514583
Li      12.36540002       5.19942998       6.75690994      -3.39560995      -0.60851050      -1.62978986
Li       7.80646997      10.72889996      12.21089999      -0.28342136      -0.00214116       0.16134829
Li       4.52801999      10.18149997       1.65561997       1.86938332       0.11752676       0.37479883
Li      12.65719997       6.16356003      10.09149997      -0.42326721      -2.29422536      -1.32080989
Li       8.46664003      12.19139997       7.40065996      -0.40307154      -0.96853435      -0.71314903
Li       1.88081004       5.00394002       4.76604005       3.68540654      -0.13720059       0.91353589
Li       4.37215001       9.67040004      11.82150004       0.54276733      -0.75176582      -0.23920352
Li       1.33939005      11.39230003       6.04027996      -0.16715665       2.95147786       0.63399647
Li       0.75945004       8.61455995       4.13744002       1.67062065      -0.92083116      -0.44217904
66
Lattice="12.79008693 0.0 0.0 0.0 12.79008693 0.0 0.0 0.0 12.79008693" Properties=species:S:1:pos:R:3:forces:R:3 energy=-568.47264277 stress="-0.01131976138245245 0.0017837017485456993 -0.001350124662860141 0.0017837017485456993 -0.01446690035236345 0.002049067722858636 -0.001350124662860141 0.002049067722858636 -0.015192388338463016" free_energy=-568.47264277 pbc="T T T" config_type=melt 
Cl       4.20636005       9.73918999       2.94824997      -0.30425731       0.00360961      -0.14038415
Cl       5.30737997       0.92022002       3.71555005       2.54173025       1.91311702      -4.14175260
Cl       6.35721998       4.99386002      11.89849995       2.58972343       1.31441598      -0.16756260
Cl       4.23603996       9.93288997       7.09868997      -0.37777009       1.96426969       0.65151894
Cl       6.33700000       1.43551996       6.62813001       1.12696653      -0.02654905       0.03898732
Cl       0.54689900       7.60123998       2.67748000       1.42508604      -2.47060151      -0.64216452
Cl      10.11029999      11.81660003       9.50777997       0.23668235       0.28766766      -0.51485373
Cl       0.81971399       9.58179006       6.35301997      -1.01390674      -0.14419490       0.54364872
Cl       1.81306005      12.71370005       5.11146001       1.67513228       0.23586382       1.35695701
Cl       7.23662006       8.30827995       5.47902000      -1.39452254       0.61136960      -0.79929569
Cl      11.93029994       3.36788006       4.56036996       0.70226929      -1.32405071       1.36921584
Cl       5.89228996       6.43848001       7.89339000       0.69880671      -1.55808185       1.41507779
Cl       6.26644004      12.02659996       0.32726904      -0.29844118      -0.01683837       0.33233109
Cl       4.07225995       5.91847997       1.93863006       0.18154534      -0.09277817      -0.13829973
Cl       3.99437996       2.49150996       0.07919545       1.62533920       1.09218152      -0.01397445
Cl       2.85108995      10.54619996      10.85619995      -0.10106797       0.81231595      -0.24887198
Cl      10.06579995       4.34257997       8.20905996      -0.25604293       1.28960070       0.62666786
Cl       3.84324001       7.00166002       5.66587997      -0.76283128       0.18360172      -0.85704679
Cl       8.86957995       2.48734001       0.20931310      -0.35237534      -0.25839669      -0.81398456
Cl       4.01685995       3.53765005       5.90473996       0.36492404      -1.24044370      -0.83600079
Cl      12.16670001       9.66296005      12.27429994      -2.26718874      -0.12900316      -0.92980032
Cl      12.27260001       2.48130001       1.32685001       0.05113524       0.40551449      -0.65661517
Cl       8.55487002       3.70448995       4.39284003      -0.96260296      -1.29515201       2.82276147
Cl       2.00618000       4.52370001       8.45333003       0.17330258       0.63908713       0.30659034
Cl       6.36384998       9.96363005       9.56522997       0.33813802       0.28736303       0.09596380
Cl       0.66282694       1.87678001      10.36530004       0.35962809      -0.06214387       0.30062062
Cl      10.35280003       8.88620003       7.19751002      -0.22125164      -0.31614262       0.52279561
Cl       2.46898994       0.25429801       1.43674001      -0.59991305      -0.61595248      -0.04283795
Cl       3.89072002       7.78010999      11.51179998      -0.10621214      -0.70104596       0.15071293
Cl      10.02830005      11.00130003       1.93961003      -0.04035804       0.30615561       0.47000103
Cl       7.81372004       7.79724001      11.96460001       0.34169418       0.17474847       1.32059903
Cl      10.70300003      11.95249995       5.71906000      -0.03511255       0.85433038      -0.41804527
Cl       9.95179999       6.18299994       3.06018996      -0.71342424       2.64132712      -0.22647806
K        9.62487999       2.14161001       6.85183004      -0.23369926      -1.23214675      -0.93580856
K        1.28961999       7.86029002       9.36439005       0.06492747       0.04659649      -0.48080089
K        6.45799001       7.65366003       2.55491003      -0.01804215       0.43918593       0.10588159
K       12.78850006       0.42766201       3.30334998      -0.94696451       0.19250910      -0.88352825
K        8.32778995       4.40291005       2.06987003      -1.25444069       0.15899067      -2.73694342
K       10.30630001       6.57267999       0.27201202       0.35810936       0.59294124      -0.27866647
K        8.49640001       7.74486000       9.35458005      -0.08694947       0.30938207      -0.85637727
K        8.91284997      11.00849996      12.07369996      -0.41363226      -0.30156364      -0.14469250
K       10.93319998       3.32552006      10.68020004       0.17684608      -0.40397154       0.88498372
K        4.67677996       0.23111303       8.35422003      -0.72763352      -1.05056575       1.04786154
K        8.77933003       0.61023398       3.36541004       0.06117180       0.03787071      -0.46199930
K        0.66665399       2.13412999       7.56031004       0.06752956      -0.03745880      -0.86382796
K        7.97610004      10.88259997       5.99128997       0.08492972       0.33983011       0.54849083
K        1.58166001       8.85420998       0.25541995       2.29325513      -0.43571388       0.86540246
K        9.20452995       6.75769998       5.94092005       1.04465753      -1.84157373       0.09984478
K       12.15150002      12.40280003      11.52510001       0.17310081       0.06002325       0.45741307
K       12.20449996       9.65822004       3.42983998      -1.27119398       2.13670256       1.21399259
K        2.30130998       3.48264999       3.68088994      -0.45821699      -0.06519607      -0.74575266
K        6.76673004       4.01016996       9.55566004       0.32193460      -0.44857666      -1.92281464
Li       5.97145996       3.26303000      12.53930006      -0.32314355      -2.96142727       1.31999465
Li       4.49183006      12.39180004       2.25107001      -0.31888059      -0.62592039      -0.92719266
Li       2.76377996       9.61747005       5.59207004       0.44637984      -0.21480816      -0.61236956
Li       3.91853999       5.05315998       7.24337003      -0.33745323       1.59487283       0.57486843
Li       2.97326994       7.67049997       3.13114003       0.12155221      -0.26173731       0.40842091
Li       5.45922005       8.31872997       7.10058994       0.53918818      -0.46448856      -0.89833438
Li      11.43069996       5.04979005       3.61725005       1.46714956      -0.19671530      -0.14561268
Li      11.52759996      10.65030001       7.43394002       0.26552186       0.39262207      -0.02493477
Li       4.81023006      10.52559999      12.35139999      -0.11474816       0.03517061      -0.32016812
Li       4.80265002       6.01888995      12.28930003      -2.24386027       1.09721464       1.14228328
Li       4.34401003       9.08843996       9.86636003       0.29797550       0.56928011      -0.57696719
Li       4.55982996       0.40447102       5.24756994      -2.41883226      -1.13606898       3.91351728
Li       5.91588000       3.47928006       4.60670000       0.22925224      -0.44691300       0.48012925
Li       2.23461006       1.87450005      12.14427490      -1.47061538      -0.64351106       0.01722586
66
Lattice="12.79008693 0.0 0.0 0.0 12.79008693 0.0 0.0 0.0 12.79008693" Properties=species:S:1:pos:R:3:forces:R:3 energy=-571.65484525 stress="-0.0028436435352084248 -0.003425173553749562 0.004698208888007262 -0.003425173553749562 -0.011010018983545014 0.0024766315451655355 0.004698208888007262 0.0024766315451655355 -0.009284403515120871" free_energy=-571.65484525 pbc="T T T" config_type=melt 
Cl      10.71719997       1.63577001      12.07690004       0.04717033      -0.79643834       0.23504622
Cl      10.12689998       9.55621999       4.68948000      -0.38626870       0.42303844       0.36901016
Cl       7.25528003       7.91100003       1.87043996       0.71005836       0.93121513       0.39557542
Cl       8.37131999       3.70490000       3.45453994       0.45468613      -0.01070656      -0.97123184
Cl       5.47224995       6.59514003      10.41440004      -0.02883717       1.00010101      -0.34816742
Cl      12.61200006      10.59819998       1.65615996       0.42142853       0.53434137       0.89790869
Cl       4.79040005      10.25660004       8.85080001       0.41514459       0.20797404       0.29467779
Cl       6.97773002       7.04262002       7.17288002      -0.09553845       0.85736363       0.53446786
Cl      11.18839995       4.41186004       8.86126998       0.82662746      -0.73266655       0.63831639
Cl       5.62404999       1.22199995       4.89298000      -1.27688827      -0.94716850      -0.39092809
Cl       5.57970996       2.11707006       9.32683004      -0.69454781      -1.07508756       0.35885628
Cl       2.44318006       4.76040001       5.07431006       1.51812516       0.38034108      -2.21359572
Cl       7.17519004      12.45719998      11.59879994       0.64848328       0.27687404       0.83884496
Cl       0.02291306       3.06536995       6.21661996      -0.80766812      -2.22371429      -0.62285938
Cl       9.60236995       8.64338995      10.94129994       0.22469280       0.27323611       0.16130916
Cl       2.96413999      12.19699998      11.86730006       0.21725272       0.34105795       0.13555354
Cl       1.17008000       1.39674004       2.95980006       0.06486893      -0.09611422       0.18215354
Cl       9.00260006       4.18834994      11.11849995      -1.29559846       0.08121535       0.23978077
Cl       2.48035994       4.59051005       8.27937999      -0.12601215       0.18374855       1.24446834
Cl      11.94489995       6.73047002       6.82960995       0.28840102      -1.35354392       3.05136683
Cl      11.81710000       6.56029996       3.42436006      -0.17996113      -0.01669169      -0.11968688
Cl       7.77110001       3.85391999       6.46268000       0.37450861       0.33948312       1.22343243
Cl       1.44958995       9.36200994      10.59119996      -0.98195266      -1.33293747       0.25866433
Cl       0.65678299       9.95057994       4.93701998       0.07814979       0.01087654       0.79364893
Cl       9.48087998      12.25400003       2.49907005      -0.45745732      -0.08201152      -0.30018414
Cl       3.94379005       3.67098005       2.08641005       0.28103186      -0.24169349      -0.64949170
Cl       1.27604996      12.54540003       8.30491002      -0.36407020      -0.06161965       0.02403358
Cl       5.04064002      10.47730002       1.76246004       0.95776378       0.15035147      -0.68736393
Cl      10.35019994       0.68868300       6.74745001      -2.25399695      -0.93125782      -0.85221880
Cl       0.32720700       5.63720997      12.18550003       0.00151307      -0.46054248      -0.41822852
Cl       5.00806994       6.18403005       0.55621799       0.49098443      -0.59813198       0.54605116
Cl       8.49135994      10.70720004       8.04896005       0.54844444       0.60849351      -0.02771960
Cl       6.19408997      10.26939997       5.14876998       0.33028414      -0.03148896      -0.18397489
K       10.69779997       1.68611000       3.87671999       0.28383533       0.43634526      -0.08498433
K        3.53465001      12.10110004       6.28542001       0.20349855       0.09915191       0.28325381
K        3.47668994       4.21145997      12.01320004       0.05739138      -0.11050830      -0.48912273
K       11.87009994       8.48725995       0.21850904      -0.32416619      -1.14793602      -0.29407887
K        6.89408004       9.59393003      11.55809997      -0.51040718      -0.77323874       0.85580728
K       11.38820003       9.31019998       8.54445006       0.15798553       0.34751173      -0.15387662
K        8.15101995       5.44227996       0.65222000      -0.58576477       0.17981787       0.73532300
K        0.73618206       4.42388003       2.32679001       0.26184386      -0.04553565       0.17045536
K        3.58332997       7.26068000       8.16845003      -0.04453632       0.68674632       0.76915248
K        9.22240998       6.32469006       9.36078004      -0.36075031       0.31859899      -0.62445973
K        6.26196005       4.69862005       8.66191000      -0.16099767      -0.49607899      -0.04052010
K        4.72009000       6.40087997       5.42592003       0.29835529      -0.21692257      -0.81830660
K        8.11996997       7.40457999       4.59102997       0.47204371      -0.20717960      -0.23156238
K        5.21443006       0.71301000       1.27263002      -0.21516652      -0.05067719      -0.00635455
K       10.55799997       4.53983995       5.80459997      -0.84973661       0.14511924      -0.36370097
K        3.20492003       8.05399998       0.61145402      -0.56476520       0.92430122      -0.37887250
K       12.48320005      12.03919998      12.08160002       0.68494288       0.29334557      -0.38884636
K        8.27042002       1.72975003       9.76480994       0.87653074      -0.08986403      -0.58429105
K        2.74948998      10.50380006       3.10758005      -0.94343117       0.42934959       0.09645598
Li       7.08316997       2.62313006       4.96876997       0.47109759       0.42988209      -0.62877371
Li      11.54800002      11.29449999       4.08804995       0.25992391      -0.81456259      -0.50526286
Li       9.07344997       0.31288505       0.08143090      -0.03391595      -0.16553021       0.58157159
Li       2.23101004      11.17010002      10.00740003       0.66388136       1.03290378      -0.45923703
Li       3.20699995       2.49753000       3.58946998      -0.57457943      -0.39657696       1.01727799
Li       1.15891003       4.61762005       6.52293001      -0.31691188       1.29143015       1.53893831
Li       5.76095994      12.23829994       9.99607006      -1.06381494       0.41998215      -0.73626904
Li      11.00379998       3.68845003      11.47509998       0.79337463       0.46687329      -0.44187445
Li      12.04669996       8.01490004       5.49803003       0.18231895       2.45391732      -3.48065583
Li       7.44048995      10.10129999       3.08142995      -0.41546619      -0.13914744      -0.29281739
Li       8.47728995      11.73749999       5.72465004      -0.07152739      -0.52910296       0.41823741
Li      12.16250000       1.21524001       7.23002997       2.23898540       0.29232654       0.81668096
Li       0.47425706       4.98945998       9.65545994       0.07811284       0.04028420      -0.13512337
Li       7.10164998       9.28239996       8.67398998      -0.89900626      -0.71292228      -0.78167918
66
Lattice="12.79008693 0.0 0.0 0.0 12.79008693 0.0 0.0 0.0 12.79008693" Properties=species:S:1:pos:R:3:forces:R:3 energy=-567.66996521 stress="-0.013612922031723108 -0.0027188624733675807 -0.006381664628768998 -0.0027188624733675807 -0.019854052316726954 -0.0008533319062647004 -0.006381664628768998 -0.0008533319062647004 -0.016267889552018112" free_energy=-567.66996521 pbc="T T T" config_type=melt 
Cl      11.97510003       2.43873998       2.41091003       2.46175072       0.49817914      -0.30664463
Cl       7.28013001       2.88011002      10.63030003       0.69151097       0.09593454       0.70165140
Cl       5.05465003       3.09967002       4.24083995      -0.50031267       0.14800927      -0.37881639
Cl       5.64706000       7.55601999       9.59228995      -0.15855830       0.27652198      -0.19427217
Cl      11.18880002      10.58170000       9.61696996       1.96815883      -0.39325253       0.67391818
Cl      11.05460003      11.89649996       2.24933004       0.31372962      -0.89637423       0.50193340
Cl       1.38924006       5.81170001       2.90588997      -0.97240412       0.17697623      -0.66794871
Cl      11.34629997       3.81887004       9.77048004      -0.37785454      -0.26530451       0.31068379
Cl       9.27467999       8.59657005       7.06004997       0.14515981       2.57963480       0.89029901
Cl       7.40528997      10.21819997       0.88558498      -0.66964100      -0.01460792       0.22139706
Cl       2.01690002       7.06777006      10.25850000      -0.87466454       0.64213962      -1.10754834
Cl       5.37161000      12.24510005       4.84922998       0.17889660      -0.10788263      -1.38856513
Cl       9.17420005       5.02038999       6.45824005       0.36145171      -0.10200158      -0.58710476
Cl       5.84334000       6.36800995       1.15864003       0.23160196      -1.10905112       0.01347475
Cl       4.95267006       0.15138104       8.95739004       0.49744476       0.01578284       0.46789296
Cl       0.51144897      10.61940006      12.60459997      -0.35863315      -0.11269870      -0.07376684
Cl       1.84847005      10.93200002       3.59066995      -4.49180659      -2.62130008      -3.41661136
Cl       1.70056996       8.31132003       7.19286005       0.77357680      -1.56087794      -1.36450392
Cl       8.02558002      10.11530002       9.93257994      -0.84574658       3.85526780      -2.81650682
Cl       2.53115999       0.53218797       6.11265996       0.01762348       0.39858028      -1.13246017
Cl       9.78470006       0.79633895       0.24992597      -0.54394997       1.47417042      -1.55655817
Cl       9.87807997       7.37394006      12.26290001      -1.05189954       0.91463746       0.45727594
Cl       3.22094997       8.71456001       0.38868601       0.36183862       1.39691568       0.97580857
Cl       1.79858001       4.75072994       6.36384998      -0.09385059       1.38178976      -3.49337324
Cl       5.72648004       8.41221003       5.17016997       0.00386022      -0.55787935      -0.84564562
Cl       8.64538994       2.32631000       3.83769001       2.33901488      -1.19655133      -1.57163593
Cl       6.34783999       2.49578006       7.28481004       0.63135256       1.71988866      -0.17588475
Cl      11.53150004       9.69494000       4.79906994      -0.37697887      -0.60269883      -0.32279787
Cl       2.44618995      10.61040006       8.61048004       0.82066303       0.86639721       2.04280374
Cl       2.30820998       1.37961999       0.30388697       0.19745011      -0.21658588       0.25046182
Cl      12.43139994       0.36148699       7.65269003      -0.29740829       1.16960438       0.92454464
Cl       3.44830004       3.65336005      10.38769996       0.91073566      -0.02757583       0.03388331
Cl       8.98868994      12.48720002       6.89329000      -0.08557454      -0.55535714      -0.18634696
K        5.21403996      10.67380001      11.15560003      -0.41663440      -0.37230390      -0.11460256
K        3.37075003       6.23415005      12.34419994       0.75299008      -1.37322838       0.41975474
K        7.19457994       0.65376094       1.35912004      -0.32135202      -0.08054551       0.54611092
K       11.20379998       4.39386004       3.94592996      -0.33445012       1.14595278       0.89630059
K        8.35108006      10.29649999       3.67709998       0.43208600       0.13059835       0.51522531
K        0.51924798      10.78760006       6.71793995      -0.05953732       0.03895246      -0.65423409
K        6.26925999      10.59240006       6.75911994       0.63727194       0.00551234       1.67725162
K       11.85240000       7.59488996       7.30528006       0.24120230      -0.73759269      -0.14242409
K        4.33805996       5.91598002       6.12956999       0.44324566      -0.37148261       0.13310559
K       12.15799994       6.68901006      11.16330004       0.52061731      -1.00799191      -0.46073368
K       11.58690005       0.30050002       4.88458996      -0.07068342      -0.09790013       0.35544523
K        2.73618995       7.94846002       3.86184000       0.37162726       0.71226138       0.23758896
K        5.01569002       2.95767000      12.46469996      -0.15737312       0.06412330       0.82420033
K        0.30227004       0.21716506      10.78620006       0.09121110       0.53790872      -0.11371371
K       12.24459995       8.57336998       1.84488997      -0.04186118       0.06769793       0.21125037
K        9.00217005       2.63319995       7.92770005       0.96149408      -0.46601925       0.16938157
K        2.20226994       3.15550003       2.99330996       0.18037316      -0.68455750       0.17073447
K        9.58078003      11.03979999      11.90240003       0.83219870      -0.15292445       0.96625939
K        1.57442005       3.74025001       8.49549997      -1.38648247      -1.67493282       2.61966804
Li       9.92717996      10.26389998       8.05179996      -0.99654284       1.55798896      -0.41397804
Li       8.00817003       8.54438995      10.79759999      -0.21765817      -4.66683407       2.17784171
Li       3.53468006       8.05447002       8.65558006      -0.35799083       0.17633790       0.54996223
Li       7.11236001       2.97877006       4.76930997      -1.69110099       0.92094102       1.53995643
Li       5.32608995       1.14158995       6.25323005      -1.40012002      -0.78513802      -0.77961087
Li       3.12078006      11.58799999       4.54955005       4.85942496       3.02726269       3.74262351
Li       9.33400003       2.33019997      10.98390002       0.95168937       0.16476478       0.60337891
Li       3.02681001      12.68940004       8.00829998      -0.16298350      -0.37251833       0.70483089
Li       8.69294003       7.03256995       6.35963999      -1.82906942      -2.83404363      -1.42725767
Li       5.71139004       2.45284002       9.34123999      -1.35213445      -0.33201609      -0.36303443
Li       0.82770306      11.64150003       1.75176996      -0.21413984       0.66365456      -0.14484191
Li      10.41490000       1.31769001       2.36711997      -1.78914123      -1.16227955      -0.35660119
Li       0.44982595       9.84121996      10.58880003       0.52026864      -0.18898759      -0.73730276
Li       5.87195001       8.31348002       1.78862996      -0.20298232       0.87690877      -0.23157264
66
Lattice="12.79008693 0.0 0.0 0.0 12.79008693 0.0 0.0 0.0 12.79008693" Properties=species:S:1:pos:R:3:forces:R:3 energy=-568.67595045 stress="-0.020529218147982104 -0.0009538589442385652 -0.00015512307867524716 -0.0009538589442385652 -0.01495645013721074 -0.00017077818166100656 -0.00015512307867524716 -0.00017077818166100656 -0.009453437213705722" free_energy=-568.67595045 pbc="T T T" config_type=melt 
Cl      10.00569997       9.08921005       3.74269996       0.75294998      -0.40208555      -0.69058581
Cl       2.38763002       9.27574004       9.70992000       0.76576368       1.74973220       0.56605592
Cl       0.21119196       7.31641997       3.25014002      -0.04432217      -0.28035438      -0.14981489
Cl       2.55509997      12.03890006       2.88561999       0.42222516      -0.40942451       0.58275208
Cl      12.19539994      10.42340004      12.26860004       1.24983413      -3.19387841       0.82054330
Cl       0.42918301       1.14866006      10.90739995       0.98500525       0.35947278       1.19000948
Cl      11.34289998       4.03887002       4.23214998       0.08430203      -0.16760260      -0.52639999
Cl      12.34480005       2.90539001       7.95148002       0.01680958       0.15768559      -0.37270754
Cl       2.88938002      12.52509999       6.67465996       1.09363178       0.92500782      -0.37539305
Cl       9.74065995       2.38285996      10.82740000       1.74181050       0.97801650       0.60408377
Cl       3.00385002       5.22486997      10.65450002      -0.32134776       0.35847702      -0.27714010
Cl       5.48258997       9.62653004       8.09051005      -0.92637145       0.84455746       1.29836424
Cl       5.27546001       4.31341001      12.60799996       0.74551344      -0.50005967       0.18334346
Cl       8.56997997       0.71897402       6.55926000       0.82480768       0.07779178      -0.41424601
Cl       5.40383999      12.69360005       9.96014999      -1.35278695      -0.67963015      -0.03217951
Cl       7.92280004       5.95317998      11.00909994       0.15627987      -0.14176860      -0.49759673
Cl       5.06193999       8.68571005      12.06319994      -0.24581119      -0.41521983      -0.10005894
Cl       5.54487002       2.95125002       6.99621004      -0.28574664       0.51024799       0.18656067
Cl       2.57977000       3.37133006       1.82014998      -1.28658684      -0.81664584       0.18440143
Cl       2.78596001       5.56600001       6.56291003      -2.20469368       0.80196635       0.29990731
Cl      11.44220004       6.80436999      12.53630001      -2.50757768       0.89341480       0.30700619
Cl       6.42118001       6.57848004       6.67620999      -0.21449939      -1.99322083      -1.05638478
Cl       0.61517798       6.95192999       8.93783003      -4.31217434      -1.06295273       0.22276764
Cl      11.07670003      12.39069997       9.75438001      -2.17250624      -3.51754824      -1.31594603
Cl       6.11325994      10.79170005       5.12487004      -2.42959690       0.12927253      -1.04948525
Cl       1.97941995       9.61170006       6.01375997       0.37203776      -0.88513950       0.70727858
Cl       8.34694004       5.41999004       2.43555000       0.18700182       0.12473960      -0.10714088
Cl       9.20245002       8.82503003       8.19523004       0.77792446      -1.15180678      -3.09926713
Cl      11.25209995       0.18866401       1.19533006      -0.88859707      -1.08793475       0.43774685
Cl       3.73926006       6.51605994       2.14307000      -0.68747224       0.66556536      -0.02041355
Cl       6.06394994       1.83688005       2.52975001      -0.17114233      -0.14376569       0.25494475
Cl       7.25394999      11.79609995      12.48050006       0.54980103       0.46987310       0.42453484
Cl       8.21347996       8.63185994       0.41105395       0.77157513      -0.42935468       0.01555042
K        0.83295006       5.69507002      12.52540005       2.90880187      -1.03661651       0.53555095
K        2.90006997       0.44973501       0.36179894       0.13161205       0.34623325      -0.37621502
K        8.37787005       9.63531005      10.34940005      -1.04041111       0.88699928       2.45232703
K        0.65954897      12.27289994       8.10200003      -0.58047468      -0.54456581       0.40009224
K        5.90730002       0.14318899       6.91485997      -0.52984952       0.14109431       0.62481769
K        2.93460998       1.88778000       4.59801003       0.42540231      -0.22123123      -0.19909866
K        2.24184004       2.57696999       9.41249996       0.76688875       0.50349704      -0.53649819
K        5.37080998       6.11286997       9.29842006       0.51642256      -0.00492280       0.56584084
K       11.59339997       7.34290005       6.02878001       0.11858131       0.16133024       0.09839910
K        7.41032005       1.68055002       9.97657004      -0.77496832       0.03453152      -1.43713211
K        7.60877002       2.09258996       0.02078312      -0.45801720       0.39079642       0.73670911
K        8.66751999       0.58004106       3.08497997      -0.03307534       0.03470978       0.38039161
K        8.43731006      10.22639995       5.54795000       2.60362535       0.03389598       1.49873213
K        6.13004003       7.89367995       2.04435995       0.28379130       0.06272121       0.53788251
K       11.39279999       5.12871000       9.93837999      -0.67929850      -0.16085326       0.08123882
K       11.63670004       2.74992995       1.12234995       0.26267424       1.38246452      -0.06606374
K        1.24531999       4.82739001       4.21995003       0.43474118       0.24015778      -0.23731776
K        9.41812005       3.92633005       6.19827002      -0.69504927      -0.45255455       0.32345914
K        0.44620303      10.07330006       3.92645999      -0.73235560       0.60524970      -1.23370173
Li       0.54735497       9.12386006      10.86850005      -0.46354656      -0.22403382       0.02383483
Li       4.41317000      10.77770002       3.93642002      -1.36180833       0.47874015      -0.72638542
Li      10.99119996       7.16017998       2.23404001      -0.40181226       0.18597033      -0.14352564
Li       4.57216996       4.92908002       6.59449003       2.74444127      -0.73454071      -0.29706916
Li      11.50959996      12.08139998      11.74170000      -0.57384927       2.84288147       0.20966878
Li       8.39851005       6.29469001       0.38903006       0.20996093       0.05615195      -0.35390442
Li       6.80005001       8.39631003       7.25870994       1.60760858       0.62685405       0.22632508
Li       4.36378005       4.53657004       1.90301005       0.93029290      -0.71796003      -0.32271651
Li       4.49553995       6.36247006      12.41339994      -0.31236340       0.20610511       0.03220867
Li       8.86536997      10.61700000       0.65253706       0.32127405       0.35142356       0.07498064
Li      11.53789994       1.39535999       9.35056997      -0.00388449       2.69739980       0.12080765
Li       2.37380995       7.45453001       8.71958996       2.93280714      -0.04368780      -1.01724371
Li       4.46330995      10.20099999      10.52119995       0.18368175       0.21842537      -0.38767319
Li       3.86748004      10.46890000       6.77160000      -0.18788408      -0.11409443       0.21018768
66
Lattice="12.79008693 0.0 0.0 0.0 12.79008693 0.0 0.0 0.0 12.79008693" Properties=species:S:1:pos:R:3:forces:R:3 energy=-568.70491752 stress="-0.008650348769338378 0.003352944444612882 0.004321936558119573 0.003352944444612882 -0.012871570569855616 -0.0017936254547049248 0.004321936558119573 -0.0017936254547049248 -0.010676246799468965" free_energy=-568.70491752 pbc="T T T" config_type=melt 
Cl       8.64845994      10.66179997       2.79187006      -1.15229450      -0.36608966      -0.26539439
Cl       3.58951999       9.57637998       7.28748994      -0.91476941      -0.46361688      -0.59586774
Cl       6.67572998       9.53494995       6.56588002       1.40351190      -1.24928325      -0.77915223
Cl       5.25907002       7.27690001       3.89104002      -1.00043467       0.48717140      -0.65070135
Cl      12.76109999       1.48943005       1.96213005       0.42375312      -0.15124288       0.24870743
Cl       9.13962000       3.43053998       2.30938001       0.90050541       0.69583026      -0.71185353
Cl       9.87387996      12.71189998       5.07756999       0.15780000      -0.36568055       0.48957093
Cl       8.46098003       8.46288000      11.22299995      -0.15647257      -0.10299258       0.25385221
Cl       1.39276999       7.19376994       6.34814004       0.58194501      -1.37405636      -0.53431355
Cl      11.98799999       8.74242999       3.26292998       0.58331026       1.08513853      -0.39421701
Cl       4.04287997      10.23409997      12.10660003      -0.62254839      -0.38900971       0.41659451
Cl       3.76626006       1.22454006      10.22509997      -0.59623910      -0.00805971      -0.03304080
Cl       1.19196998       7.45701999       9.67296995       0.37513859       2.06130725      -0.74227296
Cl       2.71416005       3.49165997       5.88660003      -0.19032520       0.82619039      -0.40294279
Cl       5.12488001       1.63214005       3.98006005      -0.73933582       0.29299231      -0.15225918
Cl       0.43468799       3.13751998       8.32173001       0.46557971       0.73493344      -0.24763522
Cl       4.80427998       4.49163999       8.81066996       1.35267487      -4.43429446      -1.15213930
Cl       5.74024998       5.28850001      11.77940006       0.20875710      -1.21457252      -0.58219947
Cl       2.13094999      10.41870006       3.75595995       0.42913762      -0.32943366      -0.62699885
Cl       8.60799006       7.36131995       3.89546002       4.79330749      -3.20240071      -2.38124890
Cl       0.21444602       6.68337001       0.88966604       0.18301741      -0.53757146      -0.04806449
Cl       8.50303998       4.50026000       5.81114006       0.31181621      -0.19714488       0.15190418
Cl      10.48020004       8.35303004       6.97861996       0.04502860      -0.34216039       0.11588913
Cl       5.84303994       0.35257000       7.75352004       0.00612417      -1.35947306      -0.18860337
Cl       6.48192000       1.13640997       0.03826231      -0.62911049       1.08395396      -0.62892346
Cl      11.56349994       9.81388998       0.06009000       1.07166463      -0.81513626      -0.99679059
Cl       9.04314003      12.66040005      10.10249995       0.15492487       0.42082076       0.25585470
Cl       3.33030995       3.49088003       0.09411048      -0.72798932      -0.29351660       0.01241122
Cl      11.10619998       3.11882996      12.30279997       0.63884014       0.50929898       0.09253506
Cl       0.76400497      12.77551838       5.50402001      -0.19927960       0.18889934       0.38316082
Cl      11.80880000       4.94795001       4.18212002       0.56561326       1.29874167       1.05438741
Cl       9.40229999       5.17730006       9.39317004       0.15449980      -2.52593588       2.88787194
Cl       0.20973901      12.56849995       9.35614006      -0.12835492      -1.56987027       3.15367642
K       10.60429996      11.85569997       1.42607998      -0.03717664       1.33776384       0.20185890
K       10.74279997       2.46886997       4.61943995      -0.01191524      -0.49320089       0.26088063
K        8.48798004       4.39225002      12.21670004      -0.06342213      -0.07220438      -0.13466214
K        0.42821301       9.65182998       6.33916997      -0.50521733       0.77169850      -0.09782302
K        3.30247002       0.49990694       1.59762997       0.38309597       0.11477712       0.09704592
K        8.89832005      11.18789998       7.70993001      -0.17935332      -0.12984796      -0.73420628
K        7.43815000       1.41534002       2.54813999       0.13275419      -1.36003667       0.83059239
K        5.78902996       5.29124003       5.69848996      -0.43228166      -0.75252395       0.63012549
K        6.97273000      11.35519995      12.15819998       0.43121410      -0.84183765      -0.36478084
K        3.98529005       6.64026998       9.08220006      -1.28637256       4.66693570       0.58691876
K       11.23279997       8.75541999       9.92721002      -0.33648451       0.09866234       0.36510078
K        7.40091998       2.51214996       8.24098005       0.36989860       0.49885283       0.13947572
K        1.11027995       1.78994005      11.64690001       0.18134548      -0.05412902       0.19273189
K        5.67523003       7.57349995       0.12137895       0.30769539       1.72103228       0.72510738
K        2.78835994       4.52929005       2.63107999      -0.05041894       0.06086466       0.67736867
K        2.36238994      10.64640006       9.47911994       0.21060086       0.12762568       1.07365216
K        3.51232005       0.74892303       6.20941006       0.13064485      -0.15404940      -0.13491600
K       11.25079997       1.94532004       9.77126995      -1.58887295      -0.10166956       0.10707749
K        0.62842506       5.40994995      10.98229998      -0.67412419      -2.01139576       1.27682502
Li       5.31840004      10.75469999       7.37931995       0.10191503       1.54312580       0.42887472
Li      11.94240000       4.35523001       2.20341005      -0.11462981      -0.55287745      -1.48180367
Li       9.43680995       6.30827002       7.95825006      -0.04693955       2.39047241      -3.34029533
Li       0.33406300       5.12467000       6.36276998       0.39455483      -0.11368706      -0.24508143
Li       8.57718002       5.17540994       3.28830999      -0.06831462       0.54524198       1.14224920
Li       3.25077006       8.62023005       4.91778996       0.15176083      -0.05926198       0.19338615
Li       1.70587004       9.21893005       0.88850700      -0.44095922      -0.04147506       0.08454254
Li      10.91999997       7.80376999       0.97664196       0.31071176       0.70296153       0.31539793
Li      10.95440006       7.52660995       4.50958999      -0.83991602      -0.66668272       0.92172017
Li       4.96314003       2.88891996      11.32199995      -0.05982337      -0.08142510       0.21239651
Li       7.23716006       8.24211006       4.52775997      -4.30234784       3.61428673       2.09156655
Li       0.05641311      11.50530006       3.84746995      -0.18539183      -0.14485555      -0.23795193
Li       0.28992006       0.27288098       7.58432995       0.01640826       1.42606921      -3.20049425
Li       2.69212004       3.66718997       8.10585995       0.35156541      -0.38294699       0.01532314
66
Lattice="12.79008693 0.0 0.0 0.0 12.79008693 0.0 0.0 0.0 12.79008693" Properties=species:S:1:pos:R:3:forces:R:3 energy=-570.35525374 stress="-0.006508470979181574 -0.0018376342793779458 0.001946080731376005 -0.0018376342793779458 -0.015168882222151573 -0.0006777158122915484 0.001946080731376005 -0.0006777158122915484 -0.007649883571438019" free_energy=-570.35525374 pbc="T T T" config_type=melt 
Cl       7.16599000       8.05785005       3.88810994       0.00505285      -0.02838506      -0.09408491
Cl      12.18929997       5.22591006       7.81535998      -0.06676073      -0.39848443      -0.34372299
Cl      10.63250005       5.67168002       4.40293997      -0.49311530       0.49396280      -1.07897714
Cl      12.08570001       3.19447002      12.16830005      -0.67671894      -4.40569025      -0.31483317
Cl       5.01930002       4.41682003       1.46154996       0.48383838       0.31212862       0.38510903
Cl       8.73218001       0.84128101      10.82029997       0.13304575      -0.67661092      -0.09933730
Cl       0.28783502      12.57549997       1.58064998       0.02150746      -0.69238507      -0.18687064
Cl       0.81887406       1.85215001       6.37224002       0.25924146       0.04505707      -0.42153099
Cl       2.04394005       5.40680998       3.93292999      -0.27666851      -0.36402206      -0.40575267
Cl       3.59857998      11.24430005       3.58780996       0.60523909      -0.38306672      -0.51584426
Cl       4.08572996       2.21027999       4.23190006      -0.39110191      -1.33051837      -1.29501376
Cl      11.24449995       9.91698997       7.97859001      -0.37757217       0.06414095      -0.02305745
Cl      11.22610001       9.29597996       4.05646995      -0.28382016      -0.23108771      -0.65626389
Cl       2.99096004       4.10165004      11.09499995      -0.80173479       0.20456056      -0.47711427
Cl       4.17970001       1.09370003      12.43520000       0.87890093       1.05864881       0.47743300
Cl       5.75279999       4.59696994       5.42992000       1.00572575       0.66260814      -1.14571733
Cl       5.24436999       9.50383998       7.72998001       1.10414385      -0.99686246       0.65246290
Cl       8.13009997       4.19394995       7.63728002      -0.05962006       0.49285071       0.49792482
Cl       6.84034006       3.24019995      11.39129997      -0.34447802       0.95746649      -0.09530005
Cl       0.94757405       7.13367994       1.05950995       0.48073821      -0.56316277       0.28797364
Cl      10.32930004       1.87606006       2.83840999      -0.16150093      -0.01022551       0.18382830
Cl      10.06850006       6.22537004       0.58944599      -0.13091852       0.45483088       1.81702432
Cl       5.02895999      10.05289999      12.32200006       0.96284694       0.36106298       0.14409577
Cl      12.12380001       6.30687001      11.05269994       0.71969503      -0.72519295      -1.07590239
Cl       2.53774996      10.97879997       8.38926998      -0.71446936       1.12995888       0.83092747
Cl       9.91097006       1.50513999       7.61321995      -0.47020323      -1.30580503       0.41432411
Cl       9.42035000       9.87431994       0.57412897       0.40890962       0.20123178       1.50653250
Cl       3.21765998       7.60608001      11.47250001       1.02320702       0.93390642      -0.74929076
Cl       2.14894999       7.34137995       6.73161997       0.38187954       2.48296214       1.69999959
Cl       8.49576997       8.04322996      10.14969998      -1.53723881      -0.29560510      -0.61466992
Cl       6.85932004       0.40290002       3.66078994       0.26377231       0.11454205      -0.44373222
Cl       3.81030004       3.80854000       7.57240000      -0.62422120       0.32565200       0.99224587
Cl       5.84868996       0.47913802       7.09807003       0.32130620      -0.30556311       0.41719213
K        7.92789996      10.86869996       8.19836003       0.52830176       0.61810123       0.47101707
K        0.44038597       3.22467995       9.59088995       0.07385581      -0.00159932      -0.88980608
K       12.40760002       7.40414001       5.83011006      -0.42307292       0.15996061       0.02770338
K        7.94012996       4.84334999       2.68751996       0.65594111       0.01596306      -0.01576402
K        6.17869006      10.86910003       5.32642006      -0.52215211       0.04323395      -0.52693669
K        2.99696000      11.80830003       0.60849900      -1.10151217      -1.61413316       0.34981747
K        0.60389700       2.28816996       2.76116003      -0.03830101       0.85486647       0.16685152
K       10.02579998      11.83419996       4.12802997      -0.13483080       0.65470226      -0.12523228
K       10.75140002       3.15234996       5.71027001       0.60048890       0.45529448      -0.24510562
K       10.64659997      12.09929996      12.29570006       0.76092107       0.89819432      -0.06886748
K        5.28839002       5.77693003       9.21134003      -0.17863892      -0.58941267       0.14051024
K        1.23686996      12.11820000       4.66763006      -0.59941065      -0.00164688       0.65000931
K       10.71070005       7.29781998       8.94756994       0.62971290       0.00196438      -1.12192583
K        3.11600002       0.93339496       9.82547997       0.31532950       0.02325309      -0.94235432
K        4.08917996       6.98645005       2.07426995      -0.44644550       0.64317043       0.18155855
K        7.52253004       6.85385995       6.72804003      -0.02781379      -0.00158849      -0.52814550
K        7.13000995       0.28777900       0.52256497      -0.04504028       0.22809554      -0.29280189
K        9.52571001       4.86991999      11.10450005      -0.59286858      -0.86780551      -0.68479064
K        0.21315102       8.64192996      11.68069999       0.31483282       2.00397628      -0.10504962
Li       4.69233999       3.82449000      12.29290006       0.80315951      -1.01230190      -0.58637592
Li       9.15609005       7.94420003       2.83154005       0.72755949       0.32437481      -0.00224619
Li       3.07204996       9.17892995       7.61125999      -0.18840826      -0.69435756      -0.45843468
Li       1.93078999       6.05385997      11.51430006      -0.79732093      -0.98798794       0.07704904
Li       5.44048999       3.68720006       3.38161994      -0.56993005      -0.23521922       1.01308360
Li       2.97339004       2.99498994       5.81558001      -0.95103935      -0.28641803       0.31232316
Li       8.29953000       2.40363004       8.99820999      -0.04657011      -0.50587881       0.22121643
Li      12.13669997       6.50877995       2.35668006      -0.73829088      -0.09404974       0.64313159
Li       7.05207995       1.91731000       5.91673003      -0.24270660       0.21638251       0.09251197
Li       8.38198999       9.15626003      11.83750006      -0.98608583      -0.08694461       0.04039422
Li       2.77422997       5.73718995       5.93229006       1.13999991      -2.30276224      -0.55440702
Li      12.33039995       4.92746003      12.56828789       0.34704458       3.71643930       1.81875998
Li       4.81958000       9.17544005      10.33340003      -0.48321994       0.14937302      -0.17878548
Li       4.39786001       0.33120199       2.71669005       0.56760355       0.69185660       0.85103440
66
Lattice="12.79008693 0.0 0.0 0.0 12.79008693 0.0 0.0 0.0 12.79008693" Properties=species:S:1:pos:R:3:forces:R:3 energy=-563.98825778 stress="-0.014821311902643389 -0.0072744593003613005 0.002520705724680613 -0.0072744593003613005 -0.018784546628181582 -0.0005370352923826661 0.002520705724680613 -0.0005370352923826661 -0.018821596282526408" free_energy=-563.98825778 pbc="T T T" config_type=melt 
Cl       0.44612795       9.57985006       3.51954005       0.79768634       1.18784728       0.15442960
Cl       6.71236002       6.64565000       1.64806998       0.03431988       0.87792888       0.26118566
Cl       6.29350002       4.81035003       5.52181000       1.11367117      -1.00500193      -0.10182843
Cl      12.20439994       2.22518006       0.38527899      -0.38327899      -0.30622736       0.23855325
Cl       2.38818000       7.21939002       9.41350999      -0.34474871      -1.34834511      -0.33740490
Cl       4.52542002       7.45724995      11.96540003      -0.66863144       0.14887540      -1.10400955
Cl       7.05905004      12.46549998       9.40708003       0.37120953       0.56482408       0.96086445
Cl      11.84669997      10.16670005       8.87920002       1.82026266       1.89566114      -2.00256642
Cl       3.03439006      12.17879995       6.63314999      -0.32445766      -0.59733411      -0.71796830
Cl       9.98141006       6.65889004      12.25260003       1.63500727       0.74423086      -3.03019127
Cl       6.77743995       0.93525503       5.63907003       0.01206956       0.13367526       0.03913555
Cl       9.31204994       4.17133005       1.41674002       0.43305532      -1.83997822       0.99277985
Cl       1.12044999       4.04404003       4.50775998      -1.55178684       0.60292111       1.79236538
Cl      10.41329996       5.68735005       6.10228004       0.17937816       0.69563709       0.47133267
Cl       1.85851001       4.38013001       1.70380994       0.26177218       1.50243621      -1.13385567
Cl       2.63846997       1.35626005       2.77417996      -2.34606362      -1.11473617       1.05819992
Cl       6.78586005       8.58512996       5.27875000       0.96033945       2.23423772      -0.57080905
Cl       8.74001995       9.41130997       0.85232295       1.24097778       0.57447140       0.70565779
Cl       5.95620995      12.33570003       1.05675996       0.47131439      -1.42740240      -1.74165340
Cl       1.30350005      10.18989999      12.59880005      -0.36856500       3.32145507       0.34200036
Cl       6.60732003       6.00140999       8.41937004      -1.14022849       0.35397010       0.96886947
Cl       3.65966006       9.58311000       2.18608997       0.04551416       0.72167331      -0.53158415
Cl       1.45958004       3.99615996      10.52549997      -1.61350725       0.84674281      -1.03508887
Cl       5.35216996       3.92468000       1.88929997      -1.44061942      -0.78428468       0.43737249
Cl       3.83608997       9.78551005       9.86147000       0.30109680       1.40738724      -0.67479841
Cl       4.11255000       2.01372002       9.47671003       1.83989553       0.07320792       0.92093717
Cl       9.33020995      11.55959999       3.22544006      -0.99571047      -1.94361593       0.94748954
Cl       6.95235002       3.99877003      11.59320006      -1.22039820      -0.12171304      -0.79605474
Cl      10.78929999       2.88125000       9.30651004       0.64386250      -0.21424906      -0.68757439
Cl       3.66433995       7.32648001       4.54272002      -0.99926263      -1.04834049       1.41525055
Cl       1.29388996       0.15675198      10.37500004      -0.15536501       0.78987465      -0.18670200
Cl      11.91900003       1.20736003       5.12098006       0.69611967       0.08277178      -1.74606418
Cl       8.79736994       8.84649001       8.24918003       0.19642742       0.10845486       0.43140464
K        0.08739658       6.06953000       8.10595996      -0.59642384      -0.68612796      -0.21104390
K        3.79237000       4.75270997      10.77160005       2.95109269       0.49616428       0.03298284
K        0.99228104       6.97138998       2.82143997       0.35092194      -0.59179672       0.09334714
K        2.37765005       2.15837999       0.24156496       0.72186484      -0.33664512      -1.35450926
K        2.78887001       8.60575001       7.14082000       0.17096720       1.09402366      -1.06116414
K       11.05019999       8.73949006       4.70785002      -1.64558595      -0.00117179       0.69637056
K        1.38797998       7.90089995      11.95230004       0.38248283      -3.17658679      -0.31494377
K        9.57657004       3.85517994      11.41749995       0.67550511       0.36482141       0.46811594
K        5.12084001       1.01066998       2.90848994       2.04396408       1.21884981       2.24465513
K        3.70905000       4.29386995       4.91185996       0.65003051      -0.27384653      -0.52491963
K        6.80425999      10.97799995       7.18686994       0.12693945      -0.31308440      -0.90318313
K        9.42956999       3.78687001       4.21587996      -0.44303686      -0.17085703       0.75370790
K       10.35060001       0.90865599       2.47532999       0.79062830       1.51350949      -0.42785039
K        7.06005994       2.88890998       8.16582000      -0.21550984      -0.21981489       0.00323104
K        6.93129996       8.81895001      11.93799996      -0.60119577      -0.12658574      -1.08562127
K       11.09390001       8.66342997      10.63860003      -1.23215404      -1.14708188       1.78579063
K        9.40815005      12.47659998      11.60439996      -0.40377902      -0.16213679      -0.14127005
K        2.19431003       1.80090998       7.88792006      -2.29684057       0.68836823      -1.25256591
K       11.25619994       0.75230805       7.58477006      -0.44107796      -1.00656671       1.06174164
Li       8.50324002       6.73500999       7.79874003       0.40759419       0.09046403      -0.59999342
Li       1.43146998      12.23369999       4.27205006      -0.03396760      -0.03062619       0.02100998
Li       7.45065999       9.91789999       2.67872997       0.45858900       0.42431806       0.09391841
Li       1.51828001      10.79109994      10.03819996      -0.14237229      -0.29022367       0.42147028
Li       0.72740000       2.70056994       2.91926994      -0.02352744      -0.09906825      -0.35520100
Li       9.24751001       6.13797998       1.07707995      -1.81970822       0.91661305       2.52118141
Li       3.91469004      12.64319994       8.54566998       0.88654612      -0.22747605       1.06252585
Li       7.15344996       4.27915994       0.90730894      -0.08092324       0.39579492       0.05980834
Li       0.40061302       2.50482994      11.19949995      -1.64559959      -1.75799670      -0.04672970
Li       4.82011002       7.76501001       9.40683996       0.18313296      -0.36943229       0.41754689
Li       5.98512003       6.83253005       5.24409999      -0.90304399      -1.31911679      -0.03080783
Li       3.77884001      11.64490002       0.95815299       0.00263340      -0.84836285      -0.03786393
Li       4.75217995       8.01082001       3.00919998       1.51340834       0.26546460      -0.76347316
Li       4.30388996       6.23530001       0.74067304       0.70708920      -1.43084203       1.63406188
66
Lattice="12.79008693 0.0 0.0 0.0 12.79008693 0.0 0.0 0.0 12.79008693" Properties=species:S:1:pos:R:3:forces:R:3 energy=-569.71308009 stress="-0.01026475411418012 -0.00026441763317484055 -0.0016216281502739053 -0.00026441763317484055 -0.0083633475835575 0.002932552403401042 -0.0016216281502739053 0.002932552403401042 -0.020473131116856204" free_energy=-569.71308009 pbc="T T T" config_type=melt 
Cl       4.90592997       4.64179996       8.75099001      -0.02801940       0.09800579       0.22655314
Cl       0.98005499       0.33790399       4.91239996      -1.20999937      -0.79369329       0.09822611
Cl       6.50127997       0.23161300       7.61983997      -0.43269770       0.07338620       0.05113643
Cl       9.75817994       3.27817999       2.76474996      -1.21197504      -0.10057760      -1.57552068
Cl       1.75523006       4.13678006      11.13519996       0.06335856      -0.24471114       1.27312015
Cl      11.42719995       4.32115005      12.51529997      -0.20452820       0.07323627      -0.39632663
Cl      10.86990005      10.87489995       1.49906994      -0.65254954       0.31414226      -0.54498985
Cl      10.66830002       1.07399997       9.73559994       0.42277894      -0.50486179      -0.70838314
Cl       4.29159997       9.66215005       2.90895000       0.45500071      -1.33194326       1.56562271
Cl       9.96598995       6.54196997      10.53690003      -0.10860256       0.57971904       0.04658055
Cl      12.66484896       9.73649998       9.85526003      -1.91522988      -0.31218824      -0.73999239
Cl       0.56084199       5.25778002       3.33605001      -0.35616216      -0.62925061       0.06016495
Cl       7.14899006      12.54029999       3.35820001      -1.63393258       0.88480538       0.75288335
Cl       2.07633005       2.40483000       7.68442006       0.00093578      -1.47372151       0.24452933
Cl       3.13577004       1.59001002       3.22530001       0.91828303       0.26539285      -0.68168793
Cl       4.27082004      12.05410005      12.46640001       0.18319837      -0.09396771       0.06945661
Cl       7.61914994       6.70861994       3.64794997      -0.19187130      -0.10106684      -0.09293106
Cl       6.20297000       9.24949004       8.80101997       1.09551827       0.80879023      -4.03671182
Cl       9.01188003       1.57682996      12.19209997      -0.76514090      -0.61189117       2.04930307
Cl       1.89970995       6.91344999       0.79353101       0.75525456       0.26134927       0.95578154
Cl       0.82050697      11.88539996      11.91159994      -0.05791950       0.34288730      -0.29935745
Cl       4.35964003       7.08705994       5.54119005       1.24413143      -0.57907472      -0.58649276
Cl       5.72752998       3.25374005       5.37661003      -0.67280937      -0.08186796       0.77736873
Cl       1.51898001       9.43468999       6.57719003      -0.14841374       0.31480251       0.08520154
Cl       7.01777003       9.28039000      12.64177590       0.18087072       0.21607925       0.21328357
Cl       6.08381998       3.43004001       2.10119001      -0.02036744       1.31322212      -1.17286051
Cl       6.73915001       5.23288999      12.09529999      -0.31216480      -1.22348868      -0.03894167
Cl      10.12290001       0.47188604       6.02734995      -0.35870681       0.53228555      -0.30833833
Cl       0.89213606       5.52457995       8.19654000       1.76616775      -1.11901349      -0.40955839
Cl       4.59651001       7.66082005      10.74250004      -3.07291574       2.74302985       0.86071823
Cl       9.16340995      10.17550001       4.89114002       0.04839303      -0.20485516       0.14065690
Cl       9.72781001       4.73130000       7.76382002      -0.98958843      -0.97462653      -0.51329392
Cl      10.77970001       7.12858002       6.16934000      -0.64091844       0.59290550      -1.97173780
K       11.41300001       3.34192002       4.69035996       1.35159746       0.09585572       2.09177608
K       11.54800002       4.09811000       9.65930003       0.77230582      -0.30299003       0.40804094
K       12.10240002       7.47204003       8.38933994      -1.05210680       1.23037072       0.45955306
K        0.36678094      12.51307795       1.75897998       0.51780524       0.80355019       0.67527428
K       12.73435732       7.10052995      11.86660006      -0.96891566      -0.12966628      -0.85382991
K        6.16815999      10.10319995       5.39530005      -0.13791154      -0.29397642      -0.02150670
K        2.96663994       4.52338998       6.14948006      -0.04302996       0.20564188      -0.47284066
K        8.67936003       6.44270994       0.57561799       1.10785403       0.95266478       0.44301738
K        8.10265999       2.59835003       6.60953003       0.42087229      -0.01751819       0.21693735
K        4.65470005       7.26305000       0.99614300       0.81903353       0.24261363       0.02458454
K        4.21807001       1.13893997       9.94296997      -0.08023749       0.09406174       0.13098301
K       12.15930005      10.03910000       3.83489001      -0.00523138      -0.16881366       0.98273091
K        2.08227002       7.81298000       4.26043001      -0.54002808      -0.06727653      -0.68514139
K        3.74693002       0.62694205       5.87222999      -0.08630937      -0.04424103       0.10498302
K        3.61014004       7.67028995       8.06732994      -0.65898017       0.08606540       0.45674810
K        2.36031999       3.74849003       1.33117997       0.11524567       0.20778099      -0.23038420
K        7.39136003       6.55159004       8.33281006       0.55618750      -0.18210844       0.03004057
K        8.96479998      11.76180001       8.38771995      -0.20327682      -0.59700709      -0.01176395
K       12.27859997      12.28160001       7.47748003       1.11799597      -0.18950782       0.19024643
Li       9.28846003       7.87429005       4.61948996       0.10716533      -0.19599155       0.35337480
Li       5.90263995       9.28182006      10.64280004       0.17919942       0.67239728       3.38415382
Li       5.85036994       2.11780996       3.56657995      -0.64328951      -1.59641343       0.39831353
Li       7.88090994       3.18804006       0.81917603       0.39562146       0.02416322      -0.03995252
Li      11.69509996       4.05651996       1.68783998       0.00969326       0.25496701       1.29341178
Li       1.62785998      10.16580001      10.52749996       1.58092352       0.96286985       1.14517016
Li      10.83240003      12.57339996      11.78320000       0.40159895       0.00711299       0.12252183
Li       7.52718998      12.09840005       1.43722002       0.18870236      -0.78873931      -1.78665820
Li       5.39549996       6.04001994      10.74790002       1.00234809      -3.90474843      -0.66344556
Li       2.33798006       3.88318000       9.21187005       0.28729289       0.71692378      -0.69270904
Li       6.07578000       4.96541999       4.14333996       0.37724179       0.78020755      -0.53248856
Li       8.85558005       2.24359996      10.29089998       0.00719069       0.61246007      -0.94028470
Li       8.89085000      12.38630005       4.40018000       1.19869655      -0.33824500       0.54324629
Li       3.66572000      10.96870002       1.64468994      -0.24463327       1.83429678      -1.91756513
66
Lattice="12.79008693 0.0 0.0 0.0 12.79008693 0.0 0.0 0.0 12.79008693" Properties=species:S:1:pos:R:3:forces:R:3 energy=-569.36626219 stress="-0.003389833361373189 1.233231077241294e-05 -0.0023987582767753743 1.233231077241294e-05 -0.010002320238575287 0.0006897504967012935 -0.0023987582767753743 0.0006897504967012935 -0.007215339794577534" free_energy=-569.36626219 pbc="T T T" config_type=melt 
Cl       9.07550995       0.80786000       2.64815002       0.48580659      -0.14638281       0.31137480
Cl      12.19349998       5.44161999       9.59754003       1.15802621      -1.35802202      -1.18820708
Cl       1.54517002      10.82499994      12.66910000       2.85729924      -1.58460325       3.11798220
Cl      12.49980005      12.09120000       6.43357002      -0.47366241       1.12593215      -0.65396299
Cl       3.30496997      11.75459996       2.99095006      -0.06003859       0.46266759       0.51249137
Cl       9.14804995       0.95749098       7.82962003      -0.09765467       0.21338211       0.46796358
Cl       6.50110999       9.62385001       7.04072005      -0.69826072       0.01109738      -0.37874498
Cl       5.60044000      12.74270004      12.56305790       0.17969309       0.03808816      -0.14046385
Cl      10.43650003      10.71709995      12.70600004       0.52444633      -0.99460956       0.49418345
Cl       2.34445005       4.57883999      11.88660005       0.71579958      -0.87040281      -0.07009408
Cl       7.76855005       5.73273004       5.89063006       0.21395384      -0.73822745      -0.24753250
Cl       8.61687994       9.47245004       9.32301002       0.15572539       0.15810133       1.03432504
Cl      11.49359994       3.01524995       4.76049005      -0.31534974      -0.52261884       0.03930350
Cl       1.23399999       6.99974995       0.64228606      -0.02534358      -0.04189964       0.51477942
Cl       6.61639996       0.06894445       5.58660995       0.35612470      -0.44125300      -0.51562439
Cl       1.77754006       2.53653004       8.66424994      -0.29111383      -0.72414295      -0.77661335
Cl      10.29190004       7.82229003       6.02276995       0.18701812       1.12952936       1.73248138
Cl      12.69246224      10.78170000       9.43015002      -0.30182507      -0.51729961      -1.03693268
Cl       6.92690004       4.29832998       1.24349996      -1.33085220       0.31158261      -1.18468095
Cl       9.92675994       2.48969006      12.39619996       0.65215178      -0.75985693      -1.90150419
Cl       1.18350997       0.74250599      11.13330000       0.10654074       0.25339848       0.60209419
Cl       4.13630004       3.62646006       2.77447004      -0.65185341      -0.34627219       0.53959318
Cl       5.52753996       8.67112001       3.36498004       0.63331105      -0.15070949       0.11188977
Cl       3.95906998       8.00760995       9.75646006      -0.16897972      -0.41312202      -0.18372811
Cl      10.28029994       7.07707997      10.80680003      -0.49565576      -0.55487777       0.65470462
Cl       5.66372996       7.51035004       0.13164504       0.64036771       1.58519698       1.90695285
Cl       9.49477002       5.24523000       2.02785997       0.97283586       0.86660487      -0.00473775
Cl      12.76120001       8.86147999       3.13076004      -0.09012240       0.11656608       0.65269317
Cl       5.51629005       2.57787003       6.98657002      -0.00426726       0.64947922       0.97623648
Cl       3.67850996      12.23450001       7.49323000      -0.39235340      -0.38672745       0.68678445
Cl       3.04061998       6.42393998       6.03417999      -0.09159576       0.74586374      -1.34432295
Cl       6.74665997       3.98179004      10.60810002      -0.30816586       0.19644916      -0.97772455
Cl      12.67768496       3.41339998       1.59851005      -0.89411058      -0.96842393      -0.28121013
K        9.15039002      12.50069996      11.27610004      -0.99399749       0.72225854      -0.63004054
K        5.76401997       9.65559999      11.43219998      -0.08118419       1.36627000      -1.20199898
K        9.14303994      10.50840001       6.68353001       0.08841637       0.38603334      -0.02869470
K        0.28547295       9.41368995       6.37736002       0.16401642      -0.79355615      -0.14690052
K       11.75669996       1.27069002       9.58082006      -0.52150891       0.35200413      -0.69255413
K        6.14175997       6.86823997       7.79611998      -0.47626415       0.12692313       0.45002598
K        4.21177000       2.36279001      10.68580005      -0.27961968      -0.36352062      -0.16558837
K        0.37346197      11.68300003       2.46653002      -0.34405155       0.05670098      -0.12336785
K        0.62812296       4.12753001       6.40489004      -0.38955869       0.16227247       0.07582955
K        7.16505006       2.89125006       3.67848003       0.06825209      -0.07243538       0.86754487
K        2.68724996       5.05128995       8.20538000       0.66064691       0.35398991       1.99692548
K        4.00545004       6.30192997       3.09619994      -0.17680141       0.15533063       0.28223988
K        0.96659202       7.78157995      10.41959997       0.16593245       0.15358031       0.48724328
K        3.02843000       1.30820002       5.48460006       0.31794381       0.01054106      -0.12435828
K       10.88830000       7.98402004       0.89606901       0.87203688      -0.59200385       0.35273516
K       11.09400003       6.29013994       4.10180006       0.58241779      -1.04687356      -0.68518391
K        3.14433006       9.06741996       1.84719002      -0.88677147       0.16108594      -0.72136077
K        6.28833999      11.41609995       3.13353996       0.41289023       0.75715145      -0.50031125
K        3.25855999       1.51345994       1.33371995      -0.18458801      -1.03433624      -0.85237866
Li       7.63416998       2.92513995       8.13489997      -0.18053510      -0.00993952      -0.35229865
Li       9.74175005       8.91975994      11.35490002      -0.55348723       1.70140063      -0.79152875
Li      10.36549995       2.85240004       1.55524004       0.19523350       0.24034524       1.69405952
Li       0.24885595       3.63435999      11.70090001       0.05400523       0.26105102       0.01109085
Li       5.14753995       9.44040997       5.36875998      -0.12396877       0.11843005       0.55606012
Li       1.63620998       4.33595995       1.43436003       1.36566634       1.40325194      -0.57422723
Li       7.99934001       3.24917002      12.17380004      -0.60060393       0.48512580       0.65253664
Li       5.44211996       5.69821996      12.45149995      -0.14036616      -3.24373289      -0.84413948
Li       7.67677005       6.62552006       1.73371995      -0.41099254      -0.75530032      -0.06960199
Li       5.89400997       0.30581302       7.75952997      -0.26746595      -0.11351526      -0.83772859
Li      10.59469997       0.45984494       5.13409003       0.06740614       0.92427673       0.05514277
Li       0.32872506      11.21390006      11.38730000      -2.27937467       1.41896224      -1.62244470
Li       9.84875998       7.01261000       8.35263994       0.17802179       0.26746443       0.05326889
Li       1.44154000      12.39609994       8.62444003       0.55035870       0.09627632      -0.03974457
66
Lattice="12.79008693 0.0 0.0 0.0 12.79008693 0.0 0.0 0.0 12.79008693" Properties=species:S:1:pos:R:3:forces:R:3 energy=-572.88825709 stress="-0.011494306726810528 -0.0018074575938787783 0.002134359255780747 -0.0018074575938787783 -0.010569856774931665 -0.0021631655805022716 0.002134359255780747 -0.0021631655805022716 -0.010718202217571644" free_energy=-572.88825709 pbc="T T T" config_type=melt 
Cl       7.75866997       5.08683002       4.16962999      -0.72394398      -1.88947543       0.13588324
Cl       7.21783001       6.03501006      12.13850004      -1.79139357      -0.43133858      -1.49854091
Cl       4.37807003       0.36647705      10.05850001       0.82435324      -1.47620799       0.04234549
Cl       1.68158998      12.30889994       4.20970005      -0.25151457       0.08767651       0.06675390
Cl      11.67350006       3.34631994       7.55557004       0.14379239       0.64602511       0.49200478
Cl      12.23699996      10.23640001      10.27429998       0.98471632       0.04292094       0.08117132
Cl       3.53614005       2.85640001       1.79486999      -0.44569765      -0.64233792      -0.29303230
Cl       3.82120999       9.15330002      11.40280005      -0.37570920      -0.04218037      -0.27760232
Cl      11.70889995       2.83952004       3.30834003      -0.36976791       0.27195240       0.59142011
Cl       5.33701998      10.93410002       2.13227005       1.37131728       2.27176585      -0.27954689
Cl      11.27839995      11.95280000       6.55996000      -1.44928484      -1.04009819       0.08432883
Cl      10.25050006      10.55179997       2.94134000      -0.09154486      -0.03172681       1.43296623
Cl       7.90356004       5.47315996       7.77386996      -0.08518691       0.23114996       0.63616925
Cl      11.28730006       7.46279995       7.09686994      -0.05438730       0.63243853       0.35326449
Cl       9.31576994      10.97930006       9.14075000      -0.44849819       0.63888211      -0.33409221
Cl       8.27650004       2.42844997       9.50868001      -0.31527087       0.59253830       1.52244138
Cl       0.71181298       7.79041995       0.14944398       0.17829652       0.17134124       0.33642146
Cl       4.52662996       0.08871307       6.25270003       0.41223311      -0.44432384      -0.08434930
Cl       4.28129000       7.27249996       2.47566995       1.15004012       0.10868658      -0.16559535
Cl       4.19248997       8.92727002       6.94115997       1.03762224      -1.14250776      -1.07000009
Cl      10.05209998       0.02891301       0.25276000      -0.42122707      -0.39358784      -0.03295551
Cl       9.03154006       8.74431001      11.87870000      -1.54487883      -1.19456389       0.97470830
Cl       7.73624997       8.83868000       4.56228003      -0.39174512      -0.61058629       0.32245605
Cl       9.91405004       7.21180000       2.47377995       1.13173143       0.09596467      -1.06311816
Cl       2.22898997      11.69499994       0.93851305       0.12426115       0.15583667       1.28638723
Cl       8.10332994       1.35769996       4.28001995       0.12630311       0.26452028       0.01976337
Cl       7.51689000       2.45917994       0.95359000      -0.53958125      -0.03778960      -0.04822545
Cl       1.30340003       6.29999995       3.32173995      -0.68240815      -0.16774427       1.19739968
Cl       2.31806001       4.94433003      11.21990001      -0.79831234      -1.33847029      -0.87803810
Cl      10.40600002       4.42174997       0.25255498       0.31844386       0.96275305      -0.27625386
Cl       0.38587206       1.66950002      11.99320005       0.43331067       0.08636507       0.69914141
Cl       1.44163004       1.59048005       7.37747997       0.52635126      -0.88406240       0.46030188
Cl       4.36353001       3.38217004       8.29148005       0.92760357       2.21059485      -0.11379567
K        7.56265997      11.49410004       4.96794999      -0.28020743       0.41161577       0.47209225
K       10.41350000       5.34416004       9.60585998      -0.04655272       0.01096524       0.13013056
K       11.24589996       9.76818000       0.57922799       0.90810270      -0.41104464      -0.42588335
K       11.86179994       0.07698251       2.67069997       0.28807018       0.39381854      -0.16287225
K       11.41629998       1.31446998       9.96543000      -0.42418113      -0.47256704      -0.36538684
K        4.85515000       2.12704006       4.17609998       0.78614446       0.03817494       0.47725175
K        3.82361005      10.09050004       4.00900005      -0.91293075      -0.61721762       1.48129720
K        0.46346095       4.33469002       1.34759003      -0.06538558      -0.16549275      -0.53765253
K        2.99351997      10.48860006       8.53811999      -0.77817873       1.31627317       1.20898675
K        5.15605994       0.58796797       0.15644105       0.23424608      -0.00038504      -0.07604535
K        9.43644006       1.78331005       7.22737999      -0.35634992      -0.82268040      -1.39772789
K       12.15380006       8.87586001       4.61248994      -0.10756383      -0.26748972      -0.19249881
K        2.58873994       2.24521995      10.18750006      -1.60354670       0.92732575       0.46547908
K        7.15677001       9.30659996       9.14118998      -0.78349939      -0.56309991       0.07433682
K        4.58008997       4.93275999      12.59850000       1.17866304      -0.21421597       1.18797319
K        1.41270002       3.97933997       5.85510995      -0.23728669       0.33028154      -0.25908973
K        6.03099999       6.72288997       5.96536996      -0.37727166       0.06830659      -0.26041198
K        6.01116998       8.98181002       0.59119005       0.49178440      -1.53796714      -0.83208702
K       10.20200005       5.04470996       5.80039996      -0.02366404       0.13180872      -0.59363125
Li       2.58230998       0.48561901       2.15315000      -0.17046795       1.14257175       0.92857073
Li       1.87279999      10.85380002      12.06059997      -0.35953007      -1.56500194      -2.42258829
Li       9.36000995       2.72652998      12.51039996      -0.60130662      -1.05038713      -0.31436433
Li       8.97197995       2.83414999       2.68454997       0.12693566       0.19564246       0.23775690
Li      10.74469994       9.82160995       7.91478999       0.61319264      -0.05951363      -0.10943245
Li       2.28131997       6.81147002      11.77739995      -0.15981380       2.33531901       0.03147809
Li       4.03166997       1.41442003       8.02072005      -0.05714804      -1.57542446      -0.65431307
Li       0.28207795      12.74327624       6.31603999       1.85493387       0.94104710      -0.52355948
Li       8.65815994      11.35500004       1.86766004      -0.30822278       0.84014307      -0.74668941
Li       8.77961998       6.41201003       0.48826106       1.99461271       0.10642679       1.14954087
Li       8.32921004       6.91141995       3.68582001      -0.28285060       1.33417638       0.01881000
Li       6.55198998       4.48242998       9.45062005       0.40722498      -0.56650514      -0.46163020
Li      10.18270006       9.93226006      10.86650006       0.86309820       1.43508834      -1.29947007
Li       2.29704001       7.54128006       1.93371994      -0.72107415       0.22559672      -0.54855220
66
Lattice="12.79008693 0.0 0.0 0.0 12.79008693 0.0 0.0 0.0 12.79008693" Properties=species:S:1:pos:R:3:forces:R:3 energy=-569.84536837 stress="-0.006949262475469522 0.0004991410869549994 -0.0018919370752560666 0.0004991410869549994 -0.007561829016048516 -0.0052529400883391045 -0.0018919370752560666 -0.0052529400883391045 -0.027956321936363635" free_energy=-569.84536837 pbc="T T T" config_type=melt 
Cl       4.48216996      11.86840001       6.35338001       0.42132755      -1.10102990       0.46416796
Cl       5.04318001       8.12400997       7.42391003       0.93572964       1.99233635      -0.53259710
Cl       4.63583006       5.33462004       3.81446002      -0.00856024      -0.12088179      -1.84860603
Cl       4.02766002       4.35300006       9.05162996      -0.34538089       0.63671744      -0.41741211
Cl       5.81725999       3.02101994       0.83153804      -0.04268644       0.13842262       0.34081770
Cl       7.24187000       8.93432005      11.23100002      -0.39979087      -0.16057468       0.01185938
Cl       0.73453098       7.53231996       3.29850996      -1.30892454       0.09677470      -1.14743977
Cl      12.39209997       4.99629999      10.98390002       0.17046386       0.42995560       0.14172903
Cl       1.00570001       3.93501004       3.78096994      -0.43473453      -1.33977757      -0.23294412
Cl       7.87636000       5.98528003       6.78187005      -0.02531754       1.70473473      -1.60958736
Cl       1.11778005      10.89369997       5.35898004      -0.20331365      -0.40209037      -1.10267504
Cl       1.63555002       8.85706997       8.65842994       0.02006013       0.00593292      -0.03512046
Cl       1.95152003      10.72959996      12.09690003       0.31463460       0.17898339       0.23085733
Cl      11.64039996       0.97413497       7.01248005      -0.17181103       0.75353195      -0.44966004
Cl       5.27972998      12.52590001      11.09359995       0.45712706       0.98620277       0.54511745
Cl       2.64951997       6.75881004       6.03602995      -1.06561296      -0.35823538      -1.32941450
Cl       2.37082999       0.88567899       3.09486005       0.10119186      -0.76010080      -0.01277707
Cl       0.76597106       0.91986599      12.60939997      -1.02883698       1.68832841       1.70137335
Cl       9.49234003       5.30258996       3.75312004      -0.41111573      -1.09442486      -0.55480217
Cl       2.05272006       0.37203997       9.73607995       0.38037201       1.69524754      -2.76507719
Cl       3.78594004       9.79370006       2.45997996       0.24650598       0.10578621       1.50672598
Cl       8.78906994      11.81590003       9.50403004       0.32602540       0.50633601      -1.68580983
Cl      10.80009994       4.92118995       1.11057003       0.26714292      -0.59361430      -0.84873323
Cl       7.85076998       2.28513999       6.63950001       1.03510327       0.13010653      -0.64057850
Cl       9.04068996      12.16159996      12.76760004       0.64883129       1.26152446       1.45907626
Cl       7.13638005       7.44257000       2.10098998       0.24340564      -0.27943281      -2.04225064
Cl       8.33708003       4.53421998      10.17620001      -0.08886211       0.15169644       0.06344058
Cl       3.91235995       2.62852005       5.95774003      -0.39124514      -0.06576699       0.37332904
Cl       9.33117995       1.17491005       3.43920999      -0.46698624      -0.08366415      -0.06140737
Cl       3.27068998       6.74504995      12.75718328       1.03641232      -0.72617363       0.35696550
Cl      11.51579995       9.25402004      11.68100004      -0.80752588      -0.10032206      -0.05025841
Cl      11.42739999       4.80966001       6.56211999       0.09584295      -0.20978887       0.32830016
Cl       8.80472999       9.38909001       4.67642004       0.41316474      -0.23961288      -0.42965573
K        5.59251002       1.18263002       7.49780003       0.14303820       0.23943706       1.53662051
K        5.89430005       7.85130000       4.36439001      -0.58170164       0.35399920       1.11214016
K        7.24090000      10.14009999       6.85707998      -0.05523152       0.30838495       0.72627906
K        1.32850006       8.10879003      11.52650001      -0.82967130      -0.42597808      -0.53053376
K       11.12149999       7.00047003       9.04431006       0.15930486      -0.06772669       0.04249148
K       11.13389998       1.21697997       1.37521995       0.36146401       0.30388740      -0.07014217
K        0.53231894       3.36441996       9.01108001       0.37451712      -0.26383401      -0.68866631
K        9.16557006       6.99365995      12.52670003       0.12234719       0.10386878      -0.11653051
K        0.99431504      12.15689999       7.62899997      -0.13080824      -0.76296366      -0.08342618
K        5.31092001       2.86244998      10.98550006       0.09323261      -0.48212890      -0.68392619
K        1.81441005       3.73499994       0.35438901      -0.17692870       0.46629058       0.21891551
K       11.84010003      12.31659996      11.01530006      -0.76215958      -1.05995114      -0.73628152
K        8.55465003       2.69950005      12.36449998       0.19576642      -0.10425171       0.07250248
K        4.75054000      10.21660006       0.02156780       0.30699292      -0.35722985      -0.76760128
K        7.16723998       3.64978995       3.19605995       0.23004013       0.15248586       0.72854045
K        4.05764996      10.71820003       9.53450997      -0.55594227      -0.89316387      -0.92286215
K        1.23820000      11.11080006       2.49021995      -0.34564358      -0.22448046      -1.04949251
K        7.17962999      11.27839995       2.10096005       0.25042128      -0.18812157       0.40460972
K        6.41827998       6.42276994       8.85995004      -0.12061620      -0.58717496       2.18872644
Li       4.67130004       4.60364995       5.65222003      -0.10484797       0.06774413       1.66733220
Li       8.45635002      10.91550004      11.28010001      -0.56059056      -1.37712054      -0.25965402
Li       1.11099005       8.79141999       4.92451000       0.64721625      -0.38950592       0.97684563
Li       8.72356998       4.25607998       7.15494998       1.16866947      -1.49166056       0.38636583
Li       1.58802001       5.82884998       4.32644003       0.62745377       0.38078986       0.44846212
Li       5.42178001       6.48106000       0.39029500       0.20370937       0.17822880       0.71849689
Li       2.17135004       0.04711305      11.53990006       1.69447029      -1.36376161       2.59324584
Li       3.39237001       7.05319998       7.87592002      -1.10970843      -0.24770919       1.50289082
Li       3.14340994      11.75850004       4.82011002      -0.43724521       0.15000291      -1.13559587
Li      10.15700005       6.86651996       4.61616006      -0.13259122       1.87155298       2.10815778
Li      12.24189997       2.71448005       5.45255002       0.22701960       0.90913735       0.08234961
Li      10.12269998       0.89309097       5.40120997      -0.75171877      -0.06958466       0.70024061
Li       3.22347001       2.59780006       4.00668006      -0.44774761       0.71564453      -0.59496069
Li      11.29480004       6.55915998       2.49635996       0.38485288      -0.67223405      -0.30249307
66
Lattice="12.79008693 0.0 0.0 0.0 12.79008693 0.0 0.0 0.0 12.79008693" Properties=species:S:1:pos:R:3:forces:R:3 energy=-569.83246566 stress="-0.014499768027073187 0.0008326446926518528 -0.003344917208518538 0.0008326446926518528 -0.0087451235451207 -0.00029556939843719884 -0.003344917208518538 -0.00029556939843719884 -0.006834086172430061" free_energy=-569.83246566 pbc="T T T" config_type=melt 
Cl       1.41444996       4.85960005       6.80906996      -0.54246676       0.48607607       0.21842341
Cl      11.33859995       2.36630997       7.90859997       2.28734868      -2.30525672       4.70395535
Cl       2.90298995       5.37256005      11.31550003       0.88716124       0.02015400       0.00537903
Cl       5.20088996      10.00060005       6.62989005      -1.14395019      -0.59899681      -0.77444059
Cl       8.94770001       9.90694003       4.45961004      -0.16333082       0.23848101      -0.08309477
Cl       8.08525998       0.51595198       1.48205004      -0.14500547       0.05652619      -0.42814348
Cl       8.05662003       6.50999002       0.69382602      -0.15601686       0.01822768      -0.04651546
Cl       6.35629999       5.22642000       4.51102005      -0.30451749       0.38326872      -0.66781676
Cl       5.14951001       8.97368998      10.95910004       0.51921360      -0.32018249      -0.41301471
Cl      10.28939996       9.10404003      11.61759996      -0.85674334       0.54549704       0.38121670
Cl      11.82770004       0.38500400       5.79139996       0.34750892      -0.62211687      -1.55218276
Cl       7.50049004      10.62950001       8.35581994      -0.01234027      -0.17227289       1.10397774
Cl       6.60781999       6.93602999       8.22839998      -2.10329605      -0.58734592      -0.26558346
Cl       4.17259997       0.75458904       0.70185500      -0.14350705       0.31054222       0.16760551
Cl      10.79900000      12.36330002      10.44840005       0.09543220       0.11044166      -0.27817865
Cl       9.51023004       5.17407005       6.61227005      -0.71585010       0.67624980       0.63024606
Cl       1.56403002       0.25799294       7.93370998      -1.29188757       0.03412606       0.69477808
Cl      11.83200006       6.05143995      12.45849996      -0.30243472       0.07239272      -0.31311557
Cl       1.98679995      10.57970001      12.28290000      -0.35270841       0.38522102      -0.06219026
Cl       0.74636399       2.57292999      10.89660000      -0.80433089      -0.38208574      -0.02696301
Cl       2.77949002       7.86983999       4.44398004       0.38591496      -0.28742243       0.35990029
Cl       5.63267997      10.54839999       2.67564001      -0.04863521      -1.34631344      -0.10288667
Cl       6.86352005       2.32738999       8.97275004       0.00106587       0.07251765       0.56784382
Cl       8.82850996       5.39305002      10.19420002       1.58747405       3.08355455       3.13626657
Cl       5.38885001       0.40390903       4.62701002      -0.90272794       2.30827735      -0.44659668
Cl       3.48252004       5.53569006       1.82085996       1.74799791       0.23381224       0.63093780
Cl       3.45253995       2.62521996       6.70834995       0.54482966      -0.13488849      -0.58685658
Cl      12.47670000       9.77924995       2.70054001       0.20078314      -0.57788457       0.02587795
Cl       8.73473995       2.18787994       5.09775006       1.40480217      -0.66554623      -0.61630477
Cl       0.03191101       0.75033902       1.03414005       0.42400143       1.14334134       0.88502537
Cl       2.23257004       8.49015000       8.60295998       0.14082947       0.01379723       0.25722550
Cl      11.91680000       3.99000000       3.93011003       0.70642711       0.56761238      -0.07241115
Cl      11.83450001       9.60784999       6.22365003      -2.49428464      -2.25633497       2.13732593
K       10.71639995       6.30035001       2.31363003      -0.57338945       0.47131690       0.06998869
K        0.65447604       5.60588001       9.78788006      -0.39829447      -0.24673625      -0.09550668
K        6.63324003       8.26703001       4.72371996       0.09598705      -0.60429078       0.21247952
K        6.52604005       2.91047995       6.16881995      -1.44318952       0.58594299       0.40691714
K        0.92594704       5.13852000       1.69523995      -0.83231235      -0.23778368      -0.67945542
K       10.45829996       1.93848003       2.72095005      -0.01155978      -0.71172839       0.21112044
K       11.62999995      11.22179998       0.50167901      -0.53771650      -0.65457439      -0.80865539
K        0.81259605      10.81990002       5.17426996       3.21460310       1.66361861      -0.86760728
K       11.88879994       6.29685998       5.81906006       0.46328994       0.79681543      -0.15753806
K        8.86849996       8.11689996       8.37600001       1.41629694       0.42666542      -0.22984368
K        8.80043994       1.71973002      11.10749996       0.32800484      -0.43152596       0.23394283
K       11.94030000       9.41736006       9.52248000       1.04315033       0.74168365      -0.78585116
K        9.22712005      12.32260004       7.13417005       0.73350140       0.65039850      -0.55076035
K        7.17478996       9.30980004      12.70969995       0.82735521       0.66864022       0.71187323
K        3.33221005       2.60723006      10.12030004       0.63859158       0.07958635      -0.32766898
K        4.08492994      12.47309997       7.55032994       1.20396089       0.12305817      -0.05078322
K        2.31222005       1.23728001       3.16589006       0.04532153      -0.12456813       0.02978921
K        5.90710996       5.92709000      11.10110006      -0.30301392       0.07978668      -0.07844343
K        6.79092006       3.11047995       1.81299994      -0.40667900       0.57824263       0.58672154
Li       5.99109006      11.38099998       4.92695994       0.79875954      -2.19434458       0.02514009
Li      11.10199997      10.48309994       4.18974995      -0.85305174       0.04480259       0.44604714
Li       5.38752995       8.88396995       8.64101995       0.60709602       0.18610153       0.11590081
Li       1.16991002       2.36124996       6.86175003      -0.30086280      -0.24312773       0.32662616
Li      12.24360003       1.06912004       9.32185994       0.75651219      -0.42748492       0.67376734
Li       9.64545003       7.15052998      11.65470004       0.06037942      -1.65082798       0.61103234
Li       3.12750995       9.28540000      10.92030003      -1.27730709      -0.04520032      -0.25057457
Li       4.58634995       7.65404002       2.38532998      -0.92286027      -0.42361841       0.30989834
Li       2.55002000       4.72120006       4.91910005       0.62529688       0.35617156       0.15315973
Li      10.56359998       3.34665005       6.72660997      -2.89050872       2.67058809      -4.83881216
Li       1.83743003       0.18526697      12.70919999       0.38091781      -0.27543332      -0.38885713
Li       8.29882002       4.08822006       9.08606995      -1.21434930      -2.77432832      -3.51858537
Li       3.48360004       7.73472999       6.80615996      -0.26699112       0.20928170      -0.47753796
Li       5.77394994      12.68450003       2.25441001       0.19630470       0.20940280      -0.18761349
66
Lattice="12.79008693 0.0 0.0 0.0 12.79008693 0.0 0.0 0.0 12.79008693" Properties=species:S:1:pos:R:3:forces:R:3 energy=-568.86298449 stress="-0.0158164944931894 0.0005815976078434611 0.0007292514912722911 0.0005815976078434611 -0.016918610119566663 0.004110154788497585 0.0007292514912722911 0.004110154788497585 -0.016063918949927546" free_energy=-568.86298449 pbc="T T T" config_type=melt 
Cl       3.40913999       1.94219005       8.96825995       0.40852835      -0.10791325       0.36721111
Cl       0.44165398       5.60236005       6.10691005       0.43560288      -1.22576996       1.02993594
Cl       3.00877995       8.88217000       9.11386000       0.43062739      -1.48471918      -0.25957505
Cl       0.51921204       5.21876999       1.84423998       0.76983112       0.40687566       2.11064435
Cl       6.34778000       8.93213000       3.55432999       2.61222485      -0.05428996      -0.09586894
Cl       2.32537005       8.96441998       2.47332002       0.22767079      -0.33573748       1.18912916
Cl       0.85771998       8.68054004       5.71140999       0.34011389       2.51928563       1.78918357
Cl       6.30321998       6.62507996      12.21569999      -0.23926563       0.50508515       0.05248532
Cl      11.76970006       7.67210001      12.34699995       1.16576913      -0.25325237       0.51607807
Cl       0.62383099       2.07931999      11.48199997       0.20459028       0.13386852       0.30022470
Cl      10.80350006       3.34821006       3.92654006       0.11573798      -0.63854484       0.10209636
Cl      10.08960000       0.50346195       1.41223996       0.59783392      -0.68710449      -0.40647109
Cl      10.25269995       7.51463997       3.32897006      -0.51343427      -0.19610892      -0.89472000
Cl       1.19686999       2.00267002       4.02610999       1.56872693       0.77630529       0.99880550
Cl       4.28564004       5.46004002       4.78611998      -1.30259106       0.04899222      -0.77074587
Cl       1.23507999      12.03410006       1.71920998      -1.28457296       0.04336513      -0.13497223
Cl       1.55299001       5.43394006      10.09170000       1.13922133       0.12640679      -0.59183046
Cl       6.63362003      12.72139994       9.91638001      -0.12693815      -0.62708774       0.73396402
Cl       2.07782994      12.00560004       7.72363996      -0.73556556       0.85024390      -1.26534240
Cl       4.69799999       2.96833003       2.11527996      -0.93349850      -0.50354783      -0.92756113
Cl      11.18149995      11.85079996       4.78388005       5.75132741      -0.88121503      -0.93981401
Cl       6.61437005       8.22322997       7.30900005      -0.19877583      -0.49733466      -0.06775815
Cl      10.34539995       1.52556000       7.70050999       0.00909457      -1.91787622       0.98682163
Cl       9.73609005       5.34692999      10.62760004       0.49773524      -0.82419969      -0.45877936
Cl       8.49474996       3.82377005       1.14588998      -1.07848747       0.11927855       0.26818471
Cl       8.12560004       5.55172000       4.97602003      -1.14798548       0.37100639       1.36481564
Cl       3.00658006      11.71039997      11.72170002       0.21276019      -0.19619292      -0.34094488
Cl       5.48468997       2.38456999       6.08681004      -1.24406398       0.64164790      -0.58404730
Cl       8.70765003      11.09670001       6.42004003      -1.68084877      -0.05602575       1.61172267
Cl       9.55562998       8.72304994       9.70689003      -0.88385292       0.25103760      -0.89345320
Cl       4.12279000      10.81650003       5.60107004       0.40032028      -0.15220920       0.14045937
Cl       6.26128000       0.08077912       3.66604001       0.52873925       0.41408504      -0.04703731
Cl      12.63719999      10.82050000      10.51120002      -0.57973769      -0.02280892      -0.24179449
K        9.39541995      12.53650005      11.12489998       0.29181185       0.07222742      -0.00528714
K        1.67931002      11.57980001       4.69593004      -1.13730998      -0.25678339       0.07398026
K        3.14363006       4.00676997       7.11286996      -0.53399116       0.20702826       0.09329239
K        5.98231005       5.28274997       1.97568997       0.47967477       1.30916663       0.01751926
K        4.51438000       1.39010006      11.80039998      -0.03126671       0.11190323      -0.19307028
K        9.27958998       8.53249005       5.67057994      -0.70485817      -0.62271670       0.12273811
K       12.03260004       6.04128002       8.88060002      -0.41336610       0.36162246      -0.15124381
K       10.08090005       5.86829000       0.66377494       0.15386634       0.57893847       0.27360401
K        6.43568000       9.41271995      10.54930002      -0.27723058       0.20633819      -0.23151570
K        2.61609001       8.66087004      12.60649994      -0.07318309       0.00464702      -1.20476680
K        7.17697003       1.49381002       7.76767994       1.70500713      -0.38243437       0.58616163
K       11.55560002       9.53703000       1.71772006       0.31437660       0.87755019       0.17848384
K        0.06661781       7.14120997       3.96088004      -0.22248016      -0.94488977      -2.33529210
K        0.26704998       1.09410995       9.12193003      -0.02026716      -0.55374115      -1.39445677
K        0.20868101       4.51418994      12.24310006      -0.85150333       0.65280992      -0.99087270
K        3.37033000       0.47334602       2.88039997       0.91825992      -0.05530244      -0.04189969
K       10.07650001       3.88151000       6.89975002       0.08545394       1.89550931      -1.04487298
K       11.59930004      10.18079997       7.41308003       0.20390093       0.54169989       0.28882922
K        7.36354006       6.36158997       9.63656003      -0.13120449       0.01028097      -0.42717572
Li       8.70803003       1.97752995       1.96788994      -0.05607042      -0.76628124       0.70311813
Li       4.13258005       0.26185004       7.55320003      -0.41966775      -0.00491234      -0.02206481
Li       6.00287996       6.10743994       5.68096997       1.28079606       0.99668342       0.51803368
Li       2.26104001       7.72985006       7.01280006       0.26951111       0.13763012       0.67739101
Li       9.45188997      12.16740001       4.91019994      -4.37652516       1.70165664      -0.68735737
Li      12.32849998       1.34297998       3.11961002      -1.64884656      -0.50060791      -0.54496128
Li       2.32711002      10.79720005       9.29687003      -0.27034416       0.18250495       1.80559528
Li       4.47045002       8.70302002       3.72240004      -2.81633252       0.21146385       0.20594358
Li      11.28669995       8.83793996      10.78769995       0.71409559       1.16935552      -0.30227011
Li       5.55073005       2.37406997       3.91358997       0.60601204      -0.75746598       0.50664367
Li       0.75829803       0.53711996      12.73612248       0.34511779      -1.65589737       0.71075939
Li       2.05628005       4.88211994       3.62647004      -0.19689402      -0.54282312      -0.08882459
Li       9.14445005       4.57493006       3.55287997       0.56179290      -0.28671392      -1.29662836
Li       6.23963994      10.72450004       5.81833000       0.78482704      -0.44399215      -0.44057955
66
Lattice="12.79008693 0.0 0.0 0.0 12.79008693 0.0 0.0 0.0 12.79008693" Properties=species:S:1:pos:R:3:forces:R:3 energy=-568.97696291 stress="-0.014075382381213187 -0.003916368419398671 0.0015795547988562936 -0.003916368419398671 -0.013118458456537228 0.0014084205515826737 0.0015795547988562936 0.0014084205515826737 -0.012964318271994598" free_energy=-568.97696291 pbc="T T T" config_type=melt 
Cl       3.75217997       0.36302296      10.26400000       1.64479326       0.00420769      -1.52709381
Cl       9.82719998       5.61646995       2.84153998       1.63515157       0.48537775      -0.27523663
Cl       6.31527003      10.40169999       4.36087005       0.70941582      -0.27619709      -1.00407902
Cl       6.39537000       3.78680005      12.20820001      -0.54282548       0.36472768      -0.21128802
Cl       5.09997004       1.67306002       2.94424002      -0.21475943       0.03046141      -0.28363488
Cl       5.64294005       6.42685996      10.16899996      -0.09186480       0.21875129       0.23177664
Cl       2.98983003       7.93026996       3.64809002      -0.12477935       0.72621859       0.04325731
Cl       2.67102995       7.21133994      11.89379997       0.31572284      -0.42213321      -0.10481626
Cl       1.34863000      10.87759994      12.25950002       0.20772756       0.44010468       0.08452001
Cl       1.67403999       9.49788006       8.98477003       0.36691563      -0.50441788      -0.20193100
Cl       6.78513997       2.58516000       6.48673995      -0.42421083      -0.41185607       0.40446414
Cl      11.30269997       2.49296995       6.36669002      -0.24171487      -1.12354645      -0.53235386
Cl      10.78730001      10.21339998       6.38220004      -0.17060555      -1.26147493       0.16719455
Cl       4.40779995       7.79427002       6.61593006       1.31732210      -0.32223497      -2.86078170
Cl      11.32539994       8.98959996       0.00671313       0.15363052      -0.90143361       0.35746844
Cl       3.65656998       3.73312005       8.50915006      -0.25058635      -0.09330760      -1.25100734
Cl       9.63416994       8.34351997       9.37099996      -0.63359242      -1.06109138      -0.13094792
Cl       2.78294002      12.55990003       6.45862005      -1.36393663      -0.26095677      -1.36552437
Cl       4.99165003       9.50620001       0.20948896       0.31973054      -0.30366261       0.28704647
Cl      12.70499998       5.37107998       5.22616995       0.56777327       0.50457573       0.03146351
Cl      10.38009996      12.42360003       3.66750998      -2.09359515      -0.54172522      -1.90918823
Cl       2.81418006       4.34422005       3.46568995      -0.64812068      -0.77152069      -0.37471994
Cl       8.81090006       2.87961005       0.89414602       0.84630521       0.33949117       1.29004429
Cl      10.15480002       3.88820996       8.76231998      -0.36752720       1.84484138       0.91210039
Cl       0.67193502       0.23017706       2.84866994      -0.33156639       0.69640448       0.64770633
Cl       5.86683001       6.33022996       2.38537001      -0.46166732      -0.31831228      -0.46333614
Cl       2.55533006       1.94329997      12.69369994      -0.81926489      -0.29644400       1.28872232
Cl       6.45534003      11.13850006       8.68377005      -0.06855026       0.01725412      -0.49464586
Cl      12.48979999       5.28172996      12.54410005      -2.16748333      -2.67043756      -0.74791605
Cl       8.68732006       0.99601395       9.87403997      -1.93723782       0.27422356      -0.10313326
Cl       8.06250002       6.68627004       5.87379997      -0.46600863       0.13149658      -0.26795342
Cl       8.03851003      12.45779996      12.50120005      -0.39573209      -2.28166890      -1.05905203
Cl      11.34030001      12.67980006      10.21150001       0.99799144       2.01305907       0.83884155
K       10.69050003       6.45849995       7.07778994      -0.08292164      -0.09109969       0.20521374
K        0.97500994       9.76462000       6.17525004       0.34095690      -0.28716054      -0.05403112
K        6.94178003       3.50923994       9.48529001       0.10910563       0.28696891      -0.88805183
K       10.42859997       9.17008995       3.24426004      -0.12584674      -0.29544563       0.22182080
K       12.66629999       3.58860998       1.69786997      -0.16960467      -0.91851234       1.18858139
K        7.62898002      12.48889995       2.20202002      -0.64063272       0.46037423       1.93201243
K        3.71334005       4.06000999      11.23660003      -0.34708375       0.40550678       0.29422289
K        9.99188003       5.68569002      11.14530004      -0.18367486      -0.28819356      -0.03904636
K       11.82000002      11.56660000       0.79357194      -0.66416883       1.19519753      -0.04811108
K        8.69026997       8.83349004      11.99769999      -1.14487872       0.57544662      -0.03099919
K        2.85038995      11.94139994       1.75822997       1.69546545      -0.71172297      -0.61885605
K        6.60979005       8.29911995       8.18602002       1.28565530      -0.22014693       0.34212859
K        1.33694996       2.69257000       6.64666003      -0.01918171       0.40969428       0.03322026
K        4.55650006      10.37449995       6.39994002      -0.21319502       1.29659763       0.48885624
K       11.49260001      10.32150001       9.46884004       0.81638221      -1.55314504      -0.43070422
K        8.26034002      11.90689996       6.18021004      -0.08852659       0.31252649       0.16446135
K        4.55584994       4.96013998       5.58449997       0.92782533      -0.35766527       0.31889254
K       12.03650000      12.39190006       5.51480001       1.87101533       1.60260873       1.28086412
K        8.54435004       3.91190999       4.80813006       0.66629789      -0.41656600       0.20373699
Li       6.60166003       0.17591102       9.89793006      -0.14465375      -0.29264737       0.51598530
Li       4.91222000       7.11316003      12.62290003       0.01059875       0.41660477      -0.22918039
Li       5.62501001       8.41713997       3.15164996      -0.62621412       0.49459568       0.12324890
Li       2.10353994       0.07335396      11.39370003      -1.07446549       0.10521972       0.54962927
Li       7.88633000       5.91474002       2.67431995      -0.52052289       0.22077255      -0.03170500
Li       5.91947005       3.56587995       1.46993003      -0.15650805      -0.64183075       0.61202768
Li       2.50653000       9.36408999      11.33000002       0.59244948      -0.14794239      -0.47750399
Li       8.80656000       1.47877003      12.15339998       0.52438296       0.74020514      -0.86151897
Li       3.38720998       7.15655002       7.97379002      -2.22174101      -1.32672363       3.72461641
Li       1.82616004       6.20722999       4.33986003      -0.36517605      -0.29233758      -0.33010399
Li       9.94505002       1.84992006       8.52201996       1.18057257      -0.21921197      -0.91306023
Li       3.64044001       0.70499394       7.99939999       0.88667461       0.85751418       1.61938767
Li       0.66320003       6.79450998      12.40859995       1.63752264       3.65151288      -0.08469425
Li       2.28016004       1.78640999       2.95501005       0.97724131       0.76023159      -0.19730611
66
Lattice="12.79008693 0.0 0.0 0.0 12.79008693 0.0 0.0 0.0 12.79008693" Properties=species:S:1:pos:R:3:forces:R:3 energy=-566.32370848 stress="-0.015115896484563159 0.004888384481661762 0.0031087975853205017 0.004888384481661762 -0.018474274855677635 -0.001276623771340953 0.0031087975853205017 -0.001276623771340953 -0.00914641827233933" free_energy=-566.32370848 pbc="T T T" config_type=melt 
Cl       3.83241001       3.98627002       2.89870002      -0.48375835       0.58041885      -0.76194622
Cl       7.78840999      12.08030003       0.46077401       0.05587798       0.01726322      -0.33588899
Cl       6.53245005      10.38579999       9.60875003      -0.53070279       0.27096088       1.11412084
Cl       7.81745998      11.16349995       6.99030997       1.47628529       1.74166828      -1.51573590
Cl       3.69126999       6.10008002       6.13253998      -0.23827774       2.73121604       3.33793132
Cl       4.58868005       1.58403999      11.66920004       1.25412989      -0.39472793      -1.24874966
Cl       0.94118899       7.76964002       7.95633999      -0.09076798       0.11855672       0.65548212
Cl       0.29912394       1.71517995       2.12438995       0.53006208      -3.09266477       0.35278003
Cl       6.00162001       9.28376006       3.02720996      -0.16949120      -0.83917078      -0.73525437
Cl       1.34879000       4.51921005      12.49070003       0.09761035      -0.04136383      -1.03628766
Cl       9.65731002       7.60445004       9.78288003       0.38971721       0.29470817      -0.50127930
Cl       2.77322006       8.66427002       3.59162997       2.00769779      -0.43155111       1.20172016
Cl       8.94560999       3.97006997       0.48804695      -0.41234090      -0.39904711       0.05754563
Cl       0.41640405       5.44955995       5.28963002      -0.72727515      -0.11808386      -0.51532474
Cl       4.47154997      11.99679995       3.89187995      -2.18888968       2.07897113      -0.99724644
Cl       9.82784997       8.78979002       3.23343003       0.00047015       0.07525120       0.31929661
Cl      11.57069999       6.35393996       1.51967004      -0.92556345       2.61352813      -0.75016386
Cl       5.22178001       9.06196000       6.62177999       0.82487388      -0.20343145       0.01476279
Cl       7.89473999       8.09954996       5.67583002       0.57504494      -2.79257135      -2.14379693
Cl       9.96149999       3.48130000       4.38955003      -0.12574336       0.60830311       0.53243093
Cl       4.39883001      11.06990005       0.29026795      -0.15664806      -0.16421896      -0.23496154
Cl       6.22170006       4.55441003       6.61566006       1.32956830       1.84569562      -2.44082280
Cl       1.16946006       1.99294994       9.17037006      -0.50868628      -0.02786181       0.07613389
Cl       6.31987996       7.25926005       0.39394299      -0.69928494      -0.28582042       0.48075805
Cl      10.31569996      12.17479997      10.33799999      -0.73749697      -1.39779762      -0.44575676
Cl      11.53560003      12.40369994       5.27973995      -0.31032753      -0.47603090       0.07009033
Cl       1.96321004      10.64389998       6.60463002      -1.44574295       1.63697115      -0.54186249
Cl       3.81101002       1.82278001       6.23354994       0.67746744       0.64715373       0.10094458
Cl       1.46315000       9.52128003       1.00813998       0.22980454       1.14496014      -2.17827635
Cl       7.94578996       1.96423005       8.40867996      -0.18622596      -0.22331006       0.28163143
Cl      11.36289996       4.22714995       9.56178995      -1.02486653       0.83606878       0.36428947
Cl       6.19379004       6.41191001      10.08830001      -0.01218197      -0.70855654      -0.86622448
Cl       7.45482994      12.36079994       3.79310006       0.62236126       0.02616194       0.08667085
K        9.65889996       5.85891001       5.97528995       0.55803002      -0.14007890       0.23990221
K       10.99560000       1.79238999      11.08990003       0.27075344       1.00398703       0.63705215
K        5.42247003      12.51710005       7.36851003      -0.56246664       0.30090396      -0.01808592
K        4.30505002       8.42057001      10.33260001      -0.07398838       0.22901288       0.33182227
K        5.89755001       2.50179997       3.53675001       0.66309569      -1.41371876       0.86540747
K        0.30781199       8.37957996       2.96051004      -2.54970170      -1.34893061       1.05574368
K        9.09837005       1.66800000       2.54932000       0.26421684      -0.56730124      -0.58099695
K       12.45359995       6.91876005      11.41259994      -0.21814485       0.06375295       0.19804848
K       12.01009998       3.51591995       7.05393004       0.46844149      -0.92754942      -0.91778930
K        2.91171995       1.59454999       0.87197198      -0.97853209       0.04610056       0.85380170
K       10.40940001      11.24309995       1.95421004       0.14007646       0.32966859       0.20483583
K       12.75291945      11.49070005       8.94711001       0.41231594       0.16736083      -0.39401673
K        8.65709005       4.84769005       9.51499997      -0.63694851       0.15454847       0.40293523
K        5.78869000       4.12282006      12.19129995       0.19760036       0.66876299       0.08044538
K       12.28370002       4.03180005       1.90304995      -0.26256319       0.29253557       0.56321478
K        7.96441003       5.54493998       3.24524999       0.19603153       0.62700135      -0.90955221
K       10.63660004       9.21138006       6.35811004       0.62916412       0.62547680      -0.19589549
K        1.39733004       0.72273699       5.17595006       0.03928090      -0.06592266      -0.20578337
K        8.43618006       9.02800999      12.12619995      -0.19401013       0.03561288      -0.10481752
Li       5.62328003       6.68267999       6.75031000       0.49548800       0.60239948       0.42522395
Li       7.48277001       9.96096997       4.29497003       1.64663182       0.46466060       0.03477237
Li       6.15242997       3.17571003       7.89022995      -0.47398294      -2.31116476       1.72630335
Li       7.75824994       9.22930997       7.15163006      -1.14915586       0.02844944       3.23627545
Li       2.54172000      10.70409998       2.80336003       0.46985518      -0.02148848      -0.36179786
Li       5.89173999      11.34300000       1.95935000       0.38450714       0.14214780       0.18221581
Li       4.01845001       4.92617002       4.84025006       0.52323926      -3.37493163      -3.08959789
Li       5.16944004      10.38349995       4.72127002      -0.22388757      -1.70263817       0.67009499
Li       0.48559803       4.05284997      10.20600002       1.90121107      -0.72471391       0.68417930
Li       3.48570004       9.70895998       7.31499004      -0.38078141      -0.75840231       0.87085131
Li       4.27751002       8.05922000       1.30606996       0.18889849       0.45515896       0.55814206
Li       1.84502005       6.79170000       6.12783003      -1.55657940       1.00054206       0.16525837
Li       8.09727000      11.91729997       8.98122999       0.73465823       0.43237251       0.70588350
Li       5.84259996      12.27190001      11.70920001      -0.01945263       0.01473653       0.28891311
66
Lattice="12.79008693 0.0 0.0 0.0 12.79008693 0.0 0.0 0.0 12.79008693" Properties=species:S:1:pos:R:3:forces:R:3 energy=-564.82439879 stress="-0.02242256473076105 0.003459972738356413 -0.0028712458977856034 0.003459972738356413 -0.01573121908832687 -0.002906769166107657 -0.0028712458977856034 -0.002906769166107657 -0.015342750400218548" free_energy=-564.82439879 pbc="T T T" config_type=melt 
Cl       6.90136003       3.43789006       0.71424795      -0.26301039       1.13951262      -0.71187432
Cl       3.77133005       5.79704001       7.90217999       0.54680167      -0.17528826       0.19550673
Cl      12.60230006      11.82830002       8.13355995       0.07344626      -0.48374831       0.01395571
Cl       9.35642003       0.23901999       0.76767099      -0.96463664       0.53582674      -0.43383497
Cl       8.57294996       9.03702995       5.58603005       1.60047820       0.44844414       0.78926169
Cl       2.96608997       9.46923001       3.54606004       0.14263473      -0.50484215      -0.45042502
Cl      12.55539996       2.06108005       0.07596851       0.27096567       0.18366779      -0.33531511
Cl      12.73580005       7.32686998      11.41430000       1.31616095      -0.64484516       2.38811008
Cl      11.30170004       6.66673996       3.14105005       0.78414293       0.56305052       1.27457873
Cl       5.43008001       1.25296999       3.24551001      -1.28317864       0.87567938      -0.36147159
Cl       7.20452999       5.64392003       9.15395999       0.72045915       0.28765456       1.40003380
Cl      10.04249999       3.40983999       2.83299006      -2.56942770       0.79416536      -2.30169072
Cl       6.61782005      10.62880001       3.14689998      -0.39474079      -0.51663629      -1.01142887
Cl      12.43509999      11.55179996       3.19179996       0.98305041       0.71887141       0.00276434
Cl       2.43551994       2.75080006       8.87235003      -0.93561004      -0.42393058      -0.73871114
Cl       8.72050996       7.92389998       0.96007202      -0.96072301      -0.00228554      -0.49671522
Cl       6.56982998       4.94482002       6.21680005      -0.48002034       0.64021774       0.27275907
Cl       7.10294996      10.35970003       8.88907998       0.41093683      -0.38124125       0.56366149
Cl       7.38864994       2.06276002       8.86665998      -0.63567321      -0.74676119       0.94814672
Cl       3.32624999       9.31190004      12.18309997       0.35147955      -0.23941542      -0.21486556
Cl      11.31970004       5.24306003       7.00311003      -0.27596303      -0.41591118      -0.15887556
Cl       8.50026005       0.83666494       4.75141996      -0.20152738      -0.16071172       0.18337294
Cl       9.60324006       7.64240002       8.74792001       1.54105056       2.99431042       0.26488547
Cl       1.01064005       2.53805001       3.34743997       0.98517730      -0.26021800       0.54592477
Cl       2.23490999      11.93560002       0.12797198      -0.12879964       0.99132801       1.66004053
Cl      10.22000005       5.03790998      12.48629998      -0.83131261      -0.00397631      -0.23245882
Cl       2.06336001       8.05592003       8.55946997      -5.52493209       1.03751822      -2.42950138
Cl       3.17247005       0.08768896       6.47243001       1.07494607       1.23442617       3.54134312
Cl      11.06420002       2.63217994       9.74757005      -0.19795294       0.18699197      -1.48457716
Cl       2.17864000       5.90319006       1.78797997       0.17705227       0.01343170       0.06293107
Cl       4.51374996       2.51211005      11.03129995       0.79806980      -0.00851636       0.40908307
Cl      11.28290002      10.40390001      12.14919998       1.78435914       0.82410387       1.03257139
Cl       4.42584996       6.10634997      12.05830006       1.52994411      -0.44651514      -0.68819877
K        6.05744004       0.55290203      12.46199997       0.39809514       0.01542544       0.07757214
K        8.28287999       4.06128004       4.49967997      -0.10580518      -0.19273121       0.06309046
K        4.19004002       3.23463997       1.51857994      -0.85612078       0.44293068      -0.12425930
K       11.41889995      12.68030002      10.52409997      -0.36987297       0.66650144       0.53715059
K        0.59646596       1.72992999       7.07436003      -0.66082429      -0.23563210      -0.32635928
K        6.10159999       8.66900005      12.29169996       0.11534020       0.12264623       0.10603236
K        2.30162001      12.13410000      10.21889998       0.02499547       0.24735222      -1.17016518
K        2.96823001       4.33552995       5.50149998      -0.14818198      -0.07974784      -0.38959393
K       12.45639996       8.91325004       9.46596994      -0.44067998       1.70793815      -1.21263006
K        9.43042002       9.19620002      11.03860002      -1.83809106      -0.70898192      -0.16382249
K        4.91325997       3.19824002       7.76728997       0.13268746      -0.75131851      -0.12181678
K        9.79931005      11.04630004       2.75049003      -0.73688650      -0.42392253       0.28987978
K        2.74748001      12.18290006       4.23419000      -0.88821579      -0.37027120      -3.12689072
K        2.21103000       4.20744004      11.15980003      -0.71914579       0.53786435       0.52290939
K        0.29654200       9.26204006       1.61157001       0.11880919      -0.57616029      -0.22863774
K        6.35031998      12.66080000       7.39203995      -0.17224216      -0.18203283      -0.80506271
K       11.15650006       5.90224001       9.88981002       0.30059120      -2.24037561      -0.27861423
K        6.51835001       8.18543002       4.40848000      -1.68922379      -1.10588612      -0.62486290
K        0.34136601       6.91171003       5.49600996      -0.06316867       0.32367437      -0.22328950
Li      11.06230005       3.14636995      11.71669999      -0.18851830       0.09143215       1.07283385
Li       3.65493003       8.04384005       9.22365995       5.29030727      -0.69281660       2.02899820
Li       0.53869800       0.48957294       1.26343996       0.09366877      -0.63945991       0.65055804
Li       2.71734005       7.22548002      12.74868017      -0.71126271      -0.10555269       0.45118687
Li       9.29219001       9.73040000       7.48330003      -0.44838108      -0.03258871       0.21981486
Li      10.41840001       6.48898998       1.35790997      -0.29790932      -0.25732090      -0.91144040
Li       6.85912998      12.63895696       3.38865999       1.29603347       0.28039350       0.67710466
Li       8.50991005       3.37363995       7.86859002       1.02311179       1.03362740      -0.45291501
Li       7.47063005       5.75576998      12.27410003       0.58972606      -0.66642761       0.46926568
Li       8.28194005       6.64000995       7.84623998      -1.05561351      -0.48316837      -2.89775996
Li       5.85832998       4.53674002       9.95679004      -2.12320738      -1.51849955       1.49075997
Li       8.26552001       2.16533000       1.56215001       1.56919171      -0.65663903       0.69226160
Li      11.69150006       2.75539004       3.16455004       3.34694053      -1.38973116       0.41548360
Li       3.52802999      10.48480000       1.59745999      -0.22979416      -0.21487899      -0.20576833
66
Lattice="12.79008693 0.0 0.0 0.0 12.79008693 0.0 0.0 0.0 12.79008693" Properties=species:S:1:pos:R:3:forces:R:3 energy=-570.72605473 stress="-0.009492772720903755 0.0015632558093060897 0.002685861636060643 0.0015632558093060897 -0.007463299211062861 -0.000682362197654657 0.002685861636060643 -0.000682362197654657 -0.011000205028082258" free_energy=-570.72605473 pbc="T T T" config_type=melt 
Cl      11.90530005       9.98378006       2.58196005      -0.18528298      -0.06515153      -0.13910543
Cl      10.26169995      10.87689994      12.59580001      -0.70004599       0.57245377      -0.34598287
Cl       3.48263004       2.36477004       6.96814002      -0.03479824      -0.21873181       0.82354854
Cl       4.91959004      12.04080002       6.48400005      -0.83340158      -0.27096544       1.09045724
Cl       6.63675999       0.25099996       2.73471998      -0.28608901       0.18517204      -0.05246756
Cl       8.88276999       5.55565999       4.42194003      -2.43842268       1.22106701      -0.38096022
Cl       5.00179998       6.07500006      11.90320005       0.31907255      -0.35261710      -0.31296897
Cl       2.02454005       5.54724999       7.54718997       0.44262854      -0.66758390      -0.83772228
Cl       1.70611996       9.75998002      10.95130000      -0.37303011       0.22804696       0.08661748
Cl      10.04799998      12.09799998       8.77814004      -0.44949952       1.19201906      -0.07819038
Cl       9.13255002       7.36906998       0.31554794      -0.14600595      -0.90529707       0.11426799
Cl       6.09458002       6.02124000       7.65064003      -0.76429995      -0.52224188       0.05187494
Cl       0.33871501       1.37255002       7.79390998      -0.53314117      -0.40353567       1.39703020
Cl       7.14461994       2.42864003       7.57655000      -0.36686396      -0.93015949      -0.60389337
Cl       0.72129798      12.18190001       5.03209995       0.01837936      -0.11176752       0.34000184
Cl       1.26996994       3.44991005       2.31692003      -1.37404581       0.44816014       1.19401903
Cl       8.32759004       8.98703004       9.42027006       0.04648406      -0.98068139       0.21518987
Cl       8.55817996      10.48760000       5.25994998      -0.29083538      -0.41781976       0.56647203
Cl       6.12099002       0.17075700      11.36649999       0.43910645       0.34848699      -0.12914851
Cl       7.88060004       4.86329997      10.05549996      -0.13026732       1.92137793       4.53117288
Cl      10.29540004       4.77026002       7.64742998      -0.13589408       0.06848441       0.02543118
Cl       9.51769996       2.47716997       1.41145004       0.89315609      -0.75198296      -1.25616931
Cl      11.48459994       2.92755996       5.13113002       0.56892737      -1.02177737       0.03004984
Cl       2.88342994       1.45406994       3.63922994       1.60982931      -0.88339200       0.41688867
Cl       2.48713997       0.58714096      12.44070000       0.11001515       0.11931421      -0.03441957
Cl       0.66291302       6.16377004       0.72430301      -1.59125231      -0.64307717       0.22742772
Cl      12.22410000       9.41550998       7.91821006      -0.04901737       0.00738871       0.87262717
Cl       3.74878996       8.29726002       3.54386002      -0.05368190      -0.19428647       0.01147781
Cl       4.70580002       9.04639996       9.34796003      -1.13294389       2.05209430      -0.43652907
Cl       0.01621719       4.14679994      10.28350002       0.01138384      -0.06865874      -0.02773974
Cl       5.31852001      10.26080004       0.46027699      -1.50263615       1.48545624       1.45474183
Cl      12.45709996       6.33975998       4.35960997      -0.23865252      -0.82905203       0.28996707
Cl       5.55350000       4.20242006       2.43890996       1.74164185       0.73910117       0.69811929
K        2.98424997      12.08980000       9.59447003       0.46958141      -0.45930811       0.46964592
K        3.56132002       3.45896006       1.08213997      -0.70571670      -0.79597284      -1.75462457
K       11.93109996       8.71878994       5.20741994      -0.63286164       1.38750838       0.19833852
K        1.16780004       6.94980006       9.64401000      -0.42690943       0.65745605       0.59867985
K        4.98259004       4.02983996       5.22890000      -0.19030014       0.41135918       0.37090575
K       10.25349997       6.46268998      10.16969996       0.35528088      -0.06051036      -0.05479813
K        9.41627994      11.93090005       3.04587006       0.55257895       0.09329277      -0.32790896
K        7.84762003       7.69199998       6.40648995       0.81392972       0.41736392      -0.20128751
K        6.82084004       8.62125006      12.15729994       0.92275222      -1.00109353      -1.41363208
K        8.03960000       3.02031994       3.46678005      -0.47748993      -0.22924651       1.19661829
K        4.24581005       4.18085994       9.45941003      -0.21682934       0.46647546      -0.15476598
K        2.73309001       9.50546995       6.10128996       0.05864537      -0.10732615       0.04386402
K        1.54022998      11.77650004       2.05362995      -0.08743567      -0.22792166       0.06552180
K       12.26889997       3.25209000       0.26265198      -0.33500826       0.22859159      -0.36785749
K       12.54439998      12.41660002      10.30479999       0.09936260      -0.39401944       0.57823295
K        6.37865003       7.08746002       2.71335005       0.09421151       0.19282469      -0.09958845
K        6.94664999      11.08580004       8.23713996       0.22020659       0.34060983       0.04163175
K        2.73175997       7.46968997       0.13876106       1.39210756       1.87612300      -0.12150363
K        7.64002004       3.96973999      12.54369997      -0.34503977      -0.07448772       0.90903563
Li       5.76874002       7.45055997       9.50675996       1.21588314      -2.08158415      -0.04847528
Li       7.84053995       4.20983997       8.41691998       0.70452495      -0.79843504      -4.76745550
Li       0.83474605       1.64270006       4.39868996      -0.81085722       0.50830952      -0.76606333
Li      10.18549994      10.11579998       9.33489994       0.70685478      -0.90654029      -0.06983859
Li      10.72600006       4.94858005       4.60571005       1.93029397      -0.46097429       0.56700081
Li       4.72988005      12.48899997       1.02553999       0.38607423      -0.19811499      -0.50492763
Li       8.31817002      12.42020005      12.48050006      -0.22660093      -0.13167845      -0.27018908
Li       0.10788106       3.47386998       7.26727994      -0.39290857       1.50512160       0.10560396
Li       1.06030997       5.67427999       3.03505003       0.46399419      -0.47011319      -1.11276847
Li       1.82042996       0.91333205       6.46737000       1.11148161      -0.76869432      -0.93323734
Li       5.23676002       1.52945995       8.05884000       0.13936448      -0.50468431      -0.46643558
Li      10.48259998       8.79792004       1.11065994       0.79687473       0.65555521       0.19073537
Li       5.67427999       0.15951310       4.80414006       0.11517317       0.23042651      -1.11968857
Li      10.93950000       0.97229499       7.67211996      -0.29173514       0.34984402      -0.58285378
66
Lattice="12.79008693 0.0 0.0 0.0 12.79008693 0.0 0.0 0.0 12.79008693" Properties=species:S:1:pos:R:3:forces:R:3 energy=-569.41330314 stress="-0.01359056676855486 0.0018430146412482219 -0.00012427842686942795 0.0018430146412482219 -0.01124056970760661 -0.0005477586981401546 -0.00012427842686942795 -0.0005477586981401546 -0.013329233714156069" free_energy=-569.41330314 pbc="T T T" config_type=melt 
Cl       7.24225000       1.78134000      10.36030001      -0.41538558       0.17941052       0.63078844
Cl       8.73662994       3.58260004       5.80825001       0.44853746       0.24902667      -0.07629669
Cl       1.72663002       8.19707002       6.88084998      -0.08120760       0.27314799      -1.08785547
Cl       7.95655001      11.79650003       5.35027997       1.39738440       0.44596531      -0.46450832
Cl      10.15649995       2.97665995       8.71441996      -0.81962201       0.83004674       2.30947432
Cl       1.27700999       5.24646002       1.04276006      -0.05447567      -0.16146542      -0.49466617
Cl       5.01526001      11.27740002       7.86893996      -0.65841792      -0.04972230       1.48313263
Cl       6.78198005       4.31562998       3.27513006       0.01909884       0.06718466       0.81671813
Cl       6.65459999      10.12759999      11.46830000      -0.01752267       0.30593230      -0.45409222
Cl       1.16048002      10.63930003       9.19120997       0.65494652       0.06848012       0.49106398
Cl       5.04868000       1.83454996       5.57487006      -1.86451540       0.16573885       1.70714169
Cl      10.58649999       3.90889000       0.10169999       0.27159094      -0.18203209      -0.90453203
Cl       5.18991006       5.49345003       0.63994599       0.39098598      -0.27678260       0.22265732
Cl      10.13900005       7.34906999       8.66837002      -0.30647675       0.67800021       1.01417008
Cl       0.39567694       0.85336394      12.70339994       0.32496733       0.57019675      -0.27207111
Cl      11.35959999       1.83011001       2.87941002      -0.24578879       0.16581601       2.28638851
Cl       3.65262001       3.20170000      10.14230002       0.38996961       0.68687067       0.42004593
Cl       0.15469303      11.37399997       3.29186998      -0.44788906      -0.29356144       0.91805444
Cl       0.51082801       2.35929998       6.47065999      -0.30290042       0.01476572      -0.36541377
Cl       2.28698994      10.80989996       0.18054295      -0.37633569      -0.35470404       0.07213125
Cl      11.19829999      11.35220003      11.10339997      -0.41971793      -0.47428665       0.23346136
Cl       9.68664997       7.03919995       2.02933006      -0.19747870      -0.37980827       0.00433892
Cl       1.69220997       5.65289995       4.35545000      -1.50023290       3.55590786       2.64643241
Cl      10.59539997       8.24882997       5.10714003      -0.05790358      -0.16733763       0.38222077
Cl      11.48199997      12.51939996       6.52028003      -0.76229078       1.16496854       0.41873877
Cl       0.43644995       5.53092997      10.22820003       0.21476591      -0.39497581      -0.15073743
Cl       4.06622994      10.77679999       4.29179003       0.46165694       1.09642363      -0.28887921
Cl       7.61512004       5.78787003      10.86869996      -0.27652101      -0.03969031      -0.26242143
Cl       4.32355996       6.98889001       9.01340000      -0.03453699       0.23840983      -0.52644036
Cl       4.57100005       1.54178998       1.89353003      -3.14263582      -1.41148525      -0.05943230
Cl       6.90837002       8.45443995       5.41386000      -0.52643997       0.35450137      -0.01176630
Cl       7.38264998      10.25530005       2.00078003      -0.80814903      -0.28151522       0.72277068
Cl       7.49206994       1.62946002       1.79384998       0.13412191       1.45970564       0.51355898
K       12.42910003       6.69047004       7.31963002      -0.50723495      -1.13455280      -0.16972484
K        6.78840003       8.52750000       8.85144003      -0.00963634       0.12094243       0.17017986
K        7.48261999       7.99530000       0.55278103      -0.17842102      -1.02394672      -1.01499573
K        3.37038001       6.20920005      11.53859995      -1.18405607       0.11722906       0.03708747
K        4.79151995      11.49130003       0.71782598       1.36435468      -0.04458079       0.86837589
K        8.71084999      12.41909997       1.26886999       2.50498964      -1.63406904      -0.83198114
K        8.31700996       6.54459002       6.76290005       0.32508532      -0.83602672      -0.17940627
K        8.57315997      11.93280002       9.91018002      -0.18411272      -0.11913755       0.01209837
K        3.98858004       0.70791098      11.03920000       0.02952238      -0.96892772       0.24013740
K        3.12630998       8.30903994       4.45470005      -0.42540768      -0.51761455      -0.06530769
K        2.72119997      12.65299996       6.18782001      -0.27692125      -0.30629559      -0.07221844
K       11.79069998      10.08550001       7.31613002       0.00020094      -1.53931737       0.12820263
K       11.86059998       0.95187894       9.43535994       0.91602431      -0.64068124       0.21174842
K        2.79696000       3.81203003       3.54353004       2.13359689      -4.03760854      -2.14512631
K        2.36657997       3.87608995       7.84666001       0.03493637       0.99059206      -0.34145041
K        5.82282994       6.88671999       3.29599005      -0.08445726       0.25619936      -0.36163224
K       11.13620002       7.12797006      11.64749999      -0.22141213      -0.30562720       0.13312666
K       12.30160000       6.76275002       3.17511005      -0.34582308       0.31237251      -0.52867337
K        6.87258003       1.76081996       7.55465005       0.83422804       0.11218288       0.06165089
Li       0.50202498      10.43030003      11.83750006      -0.42251028       0.65301222      -0.87674066
Li       1.41188005      12.20259999       1.93326999       0.28431531       0.39940279      -0.97153465
Li       6.22851001      11.56830006       6.29209004      -0.81171087      -0.49417129      -1.06818994
Li      10.62010006       2.68302002       6.85401996       0.54256737      -0.36819897      -2.13705538
Li       2.92219004       8.92929994       8.31081994       0.73895447       0.62645070       1.24009651
Li       0.29190598       3.80663005      12.04879997      -0.18152268       0.50633898       0.47905497
Li      12.00200002       0.92017999       4.82586006       0.31548772      -0.13855513      -0.64425123
Li      11.43269994       1.81879999       0.94329398       0.11115913       0.44460401      -1.84435594
Li       5.93086998       2.91908998       1.81237003       0.91173469       2.55378230      -1.15389480
Li       8.34047004       9.79049998       3.91875000       0.20447509      -0.10100905       0.91529068
Li       9.16825995       4.20149994      10.69099999       0.26755623      -0.48874228       0.20386474
Li       5.75576998       1.81324001       3.78416005       1.51213090      -0.35622190      -1.79099921
Li       5.64518996       4.08577997      10.94959994       0.68487679       0.15361973       0.21266184
Li       9.06851006       4.81314006       3.85761006      -0.27455150      -0.29457691      -0.59021388
66
Lattice="12.79008693 0.0 0.0 0.0 12.79008693 0.0 0.0 0.0 12.79008693" Properties=species:S:1:pos:R:3:forces:R:3 energy=-565.23348484 stress="-0.01809029856866078 0.0010481290690420241 -0.003577628668141405 0.0010481290690420241 -0.01144196458243563 -0.0033002394813124968 -0.003577628668141405 -0.0033002394813124968 -0.02126424388404108" free_energy=-565.23348484 pbc="T T T" config_type=melt 
Cl       1.70503997      10.99319994      11.93669997       0.33281495      -1.02915218       2.63712250
Cl      12.44949996      12.24039995      10.21329996      -1.33129929      -0.31226317      -1.72188873
Cl       2.21347994       9.64966999       7.63368997      -0.31573484      -0.01512576       0.41802316
Cl      12.66559999      11.97450005       3.02196999       0.45447874      -0.28444149      -0.13676618
Cl       8.35773001       4.76483996       5.84764002      -0.00644718       0.34226962       1.09766467
Cl       9.37626001       6.68651995       9.85946003       3.52503608      -1.96940059       2.09465142
Cl       8.65229006      11.73379995       9.01416997       0.78644103      -0.62238666       1.90848462
Cl       3.69552001       7.69441001       1.81482994      -1.26025008       0.05343153       0.32429193
Cl      10.25549996       6.75537999       2.27236000       0.62481106       1.89178412      -0.58593477
Cl      11.97049995       2.97319998      10.46750000      -0.76726756       0.60805821      -0.05090408
Cl      10.66060000       3.98985994       0.84887705       0.35169580      -0.85256096       0.21360145
Cl      11.72559997       2.60002003       5.72489995      -0.30537446      -1.29522496      -0.21384085
Cl       6.58785006       3.07073002       3.49254005       0.90167025       0.06129789       1.03301093
Cl       9.57584996      11.83209995       5.21935002      -0.44488753       0.77722054       0.17939392
Cl      12.74600001       7.41582005      11.40260001       0.22733592      -0.06416868       0.65261017
Cl      12.20369994       7.54538005       6.09539002      -2.47115563       1.26330431       3.26337068
Cl       1.86176995       2.30647001       8.99962994       0.94504084      -1.15601345       0.38071288
Cl       5.42469001      11.70399994       1.67431997       0.69444197      -0.49291596      -0.91788431
Cl       6.30791995       4.86596005       8.42953995       0.61990702       0.67035419       0.14443665
Cl       7.63227001       8.32748005       3.84209006      -0.26201172       1.17035188      -0.21705198
Cl       6.86833999       1.37351004      10.97749998      -0.52519462      -0.30420298       0.50042453
Cl       2.95594001       6.02448996       5.81795001       0.01303185       0.58604574      -1.33442465
Cl       0.42078094       4.40736995       7.33806003      -0.46744615       3.19848062       0.99652840
Cl       3.26955000       2.07045006       4.36117996      -0.79870048       0.03281500       0.08360944
Cl       5.95295999       0.52023704       7.42507994       0.03042463       0.52936346      -0.19794641
Cl       5.70186002      10.40649998       6.53270995       0.85740742      -1.19304722      -1.58387614
Cl       2.60046999       6.30457995       9.42640995      -0.47931581      -2.25944865      -0.04018381
Cl       2.97141998       1.95697002       0.27963197      -0.39218001       0.26147613      -0.14981588
Cl       2.96061006      11.74019998       5.13749001       0.25573262      -0.75201727       2.45072672
Cl       6.76286002       5.47797006       0.00811301      -0.80722024      -0.93961722       0.18244652
Cl       7.60582996       8.37620005       0.27396098      -0.76507793       0.93860876      -0.32589326
Cl       4.84011998       8.70259002       9.50188003       0.34881313       1.01639886       0.12554443
Cl       9.16640001      11.04270001       1.01458004       0.67601978       0.78040538       0.85801047
K        0.73448097       4.73651005       0.57477295      -0.25636866       0.33555149      -0.11411487
K        7.86168005       2.56981995       7.65205001       0.09367610      -0.19143806       0.22971905
K       11.76289996      10.06410002       0.42638799       0.49614793      -0.41847928      -0.11075214
K        4.86786999       4.12326004      10.53140004      -0.39502703      -0.39549600       0.58675588
K        0.73574400       1.08900006      12.00459998      -0.67172698       0.04865885       0.25095212
K        2.84151005      11.82690002       2.69530004      -0.67536687       0.20876164      -2.69642130
K        6.37625994       6.16153996       4.35981999      -1.07462427      -1.26890032       0.31737825
K        7.57365995       7.93500996       9.11031996      -3.73510453       2.45640400      -1.60113641
K        4.11204006      12.18439996      12.03730002       1.22337092       0.53098291      -0.54917442
K        3.27209996       7.63906999      11.48110006      -0.05366329       1.05908838       1.79324565
K        4.83420994       3.98213000       6.29079006      -0.24618093      -1.04466313      -0.52046604
K       11.68119995       8.74860006       9.11154000       0.00378115       0.20461936      -0.23565696
K       10.13690004       9.15503999       4.58482997       0.64158468      -0.13501041      -0.03939565
K        5.18943005       2.87239005       1.29518994       0.82716158       0.38505643      -0.30304032
K        6.17273999      12.60991592       4.07822998       0.24904753       0.56841395       1.55984576
K        9.82640994       4.61231996       3.67233005       0.30603556      -1.20748839      -0.22873856
K        9.36078004       2.48039000      11.60509996      -0.16690811       0.21190194       0.15001317
K       10.90650004       1.29861001       3.25201006      -0.66648097       0.01420127      -0.02884504
K       10.54829997       5.08854005       8.01125001       0.04738269      -0.25446919      -0.67209898
Li       0.41920405       7.03388004       4.69110997       2.72533804      -1.46061039      -2.83701258
Li      11.89729998       1.58380005       8.66455998       0.55907142      -0.37434539       0.13933541
Li       3.76460004       9.57861006       5.61963997      -0.07751979       0.32208074       0.59224062
Li       1.22246999       2.70217996       6.93827005       0.86872622      -1.26633109      -0.91158877
Li       8.26252994      12.25460001       7.14426003      -0.82971928      -0.11137316      -1.53143934
Li       5.63034003       7.31358006       1.44705995       1.83803676      -0.14562209      -0.88934802
Li       2.22580997       7.00055995       7.53187001      -0.39042376       0.83804312      -0.26481030
Li       1.58936002      11.06869995       9.99596006      -0.39543488      -0.18580626      -2.47288389
Li       7.81215005       9.60202999       2.09677999      -0.18107733       0.13536272      -0.26135870
Li       1.31974998       0.36311313       5.08444006      -0.03436734       0.23124037      -0.52022302
Li       8.76786998       6.57596001       0.15003706       0.59429899      -0.45806138       0.14091374
Li       8.02025001      11.66090004      12.20630004      -0.78951203       0.37478394      -1.09874398
Li       4.68121006      10.72199996       8.25912995      -0.43251519      -0.14549900       0.64187654
Li       0.86994897       4.25605005       9.60506994       0.35282207       0.49876337      -0.58328137
66
Lattice="12.79008693 0.0 0.0 0.0 12.79008693 0.0 0.0 0.0 12.79008693" Properties=species:S:1:pos:R:3:forces:R:3 energy=-567.47251268 stress="-0.012397852622566494 0.003574155848773199 0.0057207425766975725 0.003574155848773199 -0.012670719954622373 -0.00042547300413085646 0.0057207425766975725 -0.00042547300413085646 -0.014252203392281582" free_energy=-567.47251268 pbc="T T T" config_type=melt 
Cl       9.31913002      12.18550003      12.29669999      -0.34886494      -0.29290825      -0.21456312
Cl      11.74750005      10.33260001      10.04929997       0.53705980       0.76527398       0.66417657
Cl       1.48644996       7.64237994       6.92768996      -0.61052529      -1.46851720       1.05626359
Cl       2.76220000      12.73119996       3.33961001       0.57167171      -0.54718510       0.23206699
Cl       2.12457004       5.29416999       3.14994005      -0.48800817       0.33150994       0.51859945
Cl      10.47200006       8.63302001       7.60911996      -0.66664131      -1.11721476       0.56211005
Cl      10.27899995       4.49661994       6.26202004       2.22877167      -1.05166893      -0.34920788
Cl       0.71974296       3.69277001       0.00600635       3.67306370      -0.99198583      -2.97117979
Cl       7.31904002       2.65618002      11.05670004      -0.85701361      -0.12919412       2.98547335
Cl      10.31979995      12.72859999       7.59476001      -0.45063066      -0.38450846       0.58062701
Cl       7.98515005       9.67602998       2.37903994       1.60935512      -0.39771737      -0.49836375
Cl       7.27959002       3.64590995       3.99796003       0.27535800       0.88819659      -0.39884901
Cl       5.96691001       1.84039004       7.35903999       0.75155469       0.43412462       1.23139688
Cl      12.57349998      10.55249998       2.91714000      -0.45549714      -0.33944305       0.41555555
Cl       2.73509000       2.69233005       6.25438001      -1.11818235       0.49500177       0.89751704
Cl       6.93565998       9.08772000       7.38780004       0.63386729       1.86146664       0.53112623
Cl       1.27149004       2.68266996       9.24487001      -0.11284998      -0.15354943      -0.24768194
Cl       3.56219998       2.19869000      12.26090002       0.21508836      -0.71351921       0.07220359
Cl      10.44929996       7.78474000       4.76462995      -0.74926313       0.01048243      -1.01711011
Cl      12.15939994       7.81218996       0.03811305       0.09217968       0.24225323      -0.45546912
Cl       3.49444002       6.68358002      11.20740001       0.27315266      -0.34129039      -0.11144626
Cl       5.43780995       7.20393998       3.85247996      -1.00858497       0.17275369       0.28154296
Cl       9.84269006       5.46484001       0.66852800      -0.35241941      -0.26437953      -1.03401479
Cl       4.28727999      11.92899996       8.77113005      -0.24189516       0.03312191       0.00175966
Cl       7.25326994       5.98518999       8.74619002       1.26024694      -1.33969418       0.90528579
Cl       3.12985002      10.47260005      11.99069997       0.52085227      -0.01702208       1.23257493
Cl      11.40939999       2.08185997       1.26119006       0.05644365       0.11172119      -0.35607640
Cl       3.68480998      10.23800005       5.21342003       0.63575764      -1.64208254       0.71678019
Cl      12.02469999       1.53154001       4.46437997      -0.22983692       0.13640606       0.29736733
Cl       8.30659000       8.76051006      10.99290002       0.18647696      -0.24546769      -0.28917125
Cl       7.06651996       0.23335002       4.23193997       0.09717454      -0.37633931      -0.76941182
Cl       0.35143296      10.32609996       6.74713000       1.02589322       1.66043113      -1.05826519
Cl      10.01020003       3.48673003       9.79368995      -0.25412855       2.99586959      -1.44895471
K        4.86173996       2.19186994       4.88846996       0.74407251      -0.32141329      -1.60425372
K        7.35096996       6.47921004       2.09257998       0.58184909      -0.09079284      -0.59924891
K       10.21119996       5.47826001       3.36819994       0.15004632      -1.14928859       0.23944394
K        6.06421994      10.74160000      11.04710006      -0.06963535       0.10235043      -0.11190654
K       10.69489994       1.25135000      10.48239994       0.70302135      -2.61909766       0.80131803
K        5.56702002      10.09880004       3.15511006      -1.08558055       0.70952637       0.01214818
K        4.36971005       4.85892998       8.84972002      -0.46395849      -0.42959915       0.47342580
K        3.43360998       4.65725998       0.80391605       0.36049474       0.17099176      -0.77519081
K        1.79582004      10.34549996       9.66763994       0.16478826      -0.31728626      -1.11281467
K       11.49919996       6.24575002       9.49986994       0.37682813       0.18816356       0.10344943
K        1.69841994       2.12130997       2.17249002      -0.65484196       0.24437607       0.43965743
K        6.31569006       1.48453004       0.79973306      -0.04329070      -0.05300151      -0.00881087
K        0.55432403       4.91906999       5.92376995       0.18082218      -0.67274787      -0.10177194
K        5.98372002       6.96947006       6.72476001      -2.05726051      -1.56868623      -2.02862517
K        6.08418002      11.42039997       6.39766006      -0.22958163       1.05005410       0.19414864
K        8.96938995       1.93073000       5.81148002      -0.07282782      -0.19287330      -0.12696810
K        9.52919006       0.34535499       2.16392999      -0.09870820      -0.47111278       0.76245893
K        2.95997004       7.82402002       0.99370700      -0.67176829       0.53335355       0.01856139
K        0.48245999      11.64929994       0.14491002      -0.24302007      -0.31277469       0.47363312
Li      10.09720000       9.45960994       3.18343000       0.48727189       0.05628298      -0.19997268
Li       8.76396006       5.54319004       6.68556006      -1.95497503       1.53183618       0.95541517
Li      11.83689995       0.20593102       6.16971999       0.73648665      -0.05390624      -0.42944565
Li       7.50853999       2.87953996       9.19771999       0.25732582       0.17139211      -2.82038965
Li       1.88077998      11.10650003       5.01241000      -1.43009719       1.05521404      -0.69052307
Li      11.49359994      10.42190001       7.93176998      -0.93047482       0.95885204       0.39725193
Li       3.57438996       1.21536995       7.97949005      -0.04860923       0.18660720       0.02770884
Li      12.14660001       8.66557999       5.56932006       0.62179047       0.44090261       0.55093885
Li       2.67214001       7.97844996       5.37495998       1.28167947       0.60404741      -1.38210393
Li       1.08757000       2.26067997      11.31190000       0.90672460      -0.00672699      -0.11270873
Li      10.50529995       9.27619997      11.39630000      -0.29182906      -0.34808688       1.02406930
Li       8.53003998       9.21677006       8.69904000       0.80386271      -0.20942022       0.69728528
Li       8.89566994       5.05364997      10.81980000      -0.64729654      -0.09722153       0.68587053
Li      12.30709999       4.61903003       0.90436901      -4.06293506       2.58516029       2.28528766
66
Lattice="12.79008693 0.0 0.0 0.0 12.79008693 0.0 0.0 0.0 12.79008693" Properties=species:S:1:pos:R:3:forces:R:3 energy=-569.17334773 stress="-0.010175640755424011 -0.0011656320256798495 -0.0026171609643799894 -0.0011656320256798495 -0.01332786495744627 0.000896643504436287 -0.0026171609643799894 0.000896643504436287 -0.012136278664639968" free_energy=-569.17334773 pbc="T T T" config_type=melt 
Cl       6.98255995       8.76157995       0.80589097       0.74514343      -0.12548631      -0.02771190
Cl      12.34089997      11.86899999       7.85351997      -0.95727748       0.35297276      -2.21345851
Cl       2.36143004       7.07839006       2.30182005       0.56070329      -0.31486437       0.09077176
Cl      12.34439998       9.05369006       9.92230003       0.65245745      -0.19651624       0.51699625
Cl      10.73070004      10.12720004       4.11363997      -0.85287306      -5.82355486      -0.60763298
Cl       0.29383997       7.80840997       5.15907994       0.51849543       0.07139627       0.28186564
Cl       7.49970000       5.80039996       9.53976004       0.24407520       0.41839102      -0.72052158
Cl       6.16013996       5.49856005       0.41739195       0.66800574      -0.47568781       0.95930689
Cl       2.32879997       4.59029006      12.09610001      -0.07512243      -0.24395676      -0.18727610
Cl       6.18428995      11.14460004       4.71454998      -1.78074758       0.03637796      -0.98781200
Cl       9.45500999       1.10998002       2.39674002       0.08968607       0.51194125       0.23737486
Cl       3.16440001       1.04584004       3.04798004       2.42279969       1.64067963       1.74135723
Cl       5.60324001      12.68139997       0.70480298       0.15784101       1.39052538       0.52613223
Cl       0.36906499       0.84850294      11.09999998      -0.41901646       1.86636368      -0.81719650
Cl       0.50270196      12.47439996       4.08186006       1.29038310      -0.07620396      -0.40200408
Cl       8.45623005      12.11700004      11.74779998       0.64647642       0.21969417      -0.40620738
Cl       3.26432001      10.09610005       0.91409805       0.09057591      -0.41074802      -0.07782984
Cl       3.89672995       6.93592000       9.74582996      -0.72257197      -0.21293984       1.52628582
Cl      10.72360000       4.04468005       8.38974002      -0.12832716      -0.20027055      -0.10020099
Cl       4.62540998       2.56534994       7.54842997       0.31408648       0.06036653      -0.13607998
Cl       6.23179003       9.97636002      10.45749994      -0.38584368      -0.47436818      -0.56485546
Cl       5.70353002       4.17087996       3.74943995      -0.04093595      -0.32288344       0.33769687
Cl      10.38699996       7.73898001       8.02268000      -0.19486004      -2.16455536       0.20614408
Cl       3.32192004      12.50559997       9.63332004       0.38100007      -0.66146235      -0.66756453
Cl       8.66858003      10.34100003       7.21116996       0.32337708       0.90923600       1.13505405
Cl      11.30780001       5.20923997       4.01110006       0.00757773      -0.56515244      -0.41994263
Cl       1.14118003       3.88445006       6.08788006       0.81580140      -0.09166073       0.15161426
Cl       4.22362001       7.83198006       6.18435006       0.56256804      -0.08496991       0.16819443
Cl       9.04264006       1.28487001       6.05593004      -0.28482800       0.59464352       0.78355083
Cl      10.67899995       5.96056997      11.51260000       0.43528522       0.77356588       2.65664847
Cl       0.08912708      11.29070005      12.48419998      -0.64407167      -2.30021208       0.64751581
Cl       9.60734005       2.90767994      12.24910002      -0.14384770      -1.32690644       0.45245114
Cl       8.82615006       7.05377003       5.13146000      -1.19227980      -0.32767499      -1.54856444
K        8.01840005       4.11411001       6.07201997       0.08113047      -0.02697023       0.10306966
K        2.20074997       0.19162402       6.51716002      -0.06148503       0.20824152       0.04238568
K       12.44000000       3.53433000       0.22318497       0.25366773      -0.14341996      -0.14901937
K        4.01760996       6.96231004      12.74480005      -0.76582094       1.11099039      -0.28076387
K        9.94906994       1.06035001       9.54049995       0.62197392      -0.00602224      -0.02802044
K        8.98840997       8.70836001      11.28049996      -0.39373057       0.29693575      -0.14143361
K        1.97661994       6.89814000       7.94814999      -1.29854357       0.04583286      -1.41323934
K       10.94699997      12.22000001       5.03148002      -0.97313176       4.00554252       2.89123378
K        5.51598002       7.59637003       2.79835003      -0.29528362      -0.24566796       0.94853198
K        2.58408000       9.94549997      10.74979998       0.33565687       0.09380114       0.24498681
K       10.85709999      11.44910003       1.95512006       0.16132344       0.60813703      -2.01775781
K        2.32793997       2.22301994       9.45861999      -0.48503506       0.94943254       0.26893175
K        5.31852001       4.64276996      10.87209995      -0.70242179      -1.08128483      -0.92167211
K        7.06795002       0.73970202       4.02011003      -0.13516845       0.81362919      -0.58803442
K        3.11725997      10.78639997       3.84982000       0.08491077      -0.32037512      -0.15822495
K        6.58842996      12.66129996       8.80008003      -0.37373033      -0.47035810       0.26394385
K        8.44906006       4.58448004       1.51862995       0.66567410       0.01872974       0.98914718
K        1.48956998       0.17262294       1.43184998      -0.91651193      -0.57972200      -1.88195804
K        0.39675604       8.21847999       0.66708297      -0.26899558       0.61489756      -0.27489941
Li      10.87719999       7.62102996       4.65683996       0.59666339       0.24838882      -0.01271205
Li       1.16841000       6.19338997       3.79842995      -0.79174531      -0.19617700       0.98184247
Li       8.59890002       1.07160004       0.38282904      -0.38178587      -0.59417332      -0.26543902
Li       4.70588994       2.68789995       2.27177000      -0.36505021      -0.38296590       0.00252531
Li      10.50249994       9.73146004       7.97486004       1.32283229       1.26037318       0.20304563
Li       5.56390998       7.48346004       8.81421000       1.40639656       0.79544913      -0.64105345
Li      11.44900002       6.73112001       9.89578004       0.67771326       1.06561633      -2.28745812
Li      11.62039997       3.65660003       6.02221000       0.11559654       0.44250976       0.09296150
Li       6.04609996      10.64249998       0.27108704      -0.19499370      -0.01557427      -0.62562614
Li       7.17912005      10.09009996       5.98455995      -0.28276377      -1.45143896      -0.05405186
Li       3.88700002       3.80383005       5.84059000      -0.29634088       0.03446000      -0.31990003
Li       9.48363996       4.45714999      11.01100004      -1.11510579       0.22166251      -2.17839957
Li       0.16676994      11.64529997       9.66605000       0.62282943      -0.06933645       2.77759541
Li       8.48242006       7.13649005       7.07036005       0.04753958       0.30277694       1.89536086
66
Lattice="12.79008693 0.0 0.0 0.0 12.79008693 0.0 0.0 0.0 12.79008693" Properties=species:S:1:pos:R:3:forces:R:3 energy=-568.2868022 stress="-0.009436340696602432 0.001677763334642712 -0.0009080999317500465 0.001677763334642712 -0.016335127575967185 0.0013564168655231447 -0.0009080999317500465 0.0013564168655231447 -0.006975198498664799" free_energy=-568.2868022 pbc="T T T" config_type=melt 
Cl       5.68703004       9.84007001       7.55435997       1.63208946      -2.13883400      -1.06179791
Cl       7.17051999       7.50978997       0.25640505       0.42103819       0.61712465       0.24692696
Cl      10.23430001       9.85743997       1.99966000       0.09796007       0.37644283      -0.09271408
Cl       8.48674004       2.81429006       5.22830002      -0.11246122      -0.31235618      -0.07880722
Cl       4.57124997       5.73324996       9.06779995      -1.12171387      -0.51936587      -1.86171561
Cl      10.29139994       4.48410996       1.44607997       0.10622598      -3.77566469       0.03414038
Cl      11.80080005       1.76838006      11.99530006       1.25607525       0.34867660      -0.35188129
Cl       2.09563004       3.49045002       4.44384996       0.17521266      -0.42138310      -0.22395988
Cl       4.84045994       9.23399997       2.87474995       0.47255086      -1.21361323      -0.78579671
Cl       1.62878994       4.02175996       0.86939797      -0.43317289       0.49127928       0.32565296
Cl       0.95412104       7.03499994       9.14242001      -1.09340385      -0.66339617      -0.73472651
Cl       2.58657995       7.27668002       4.99822004       0.05107889       0.56353588       1.00523577
Cl       2.36958999       2.94943996       8.89724005      -0.26261568      -0.44487984      -0.16693087
Cl       9.03294006       8.15423998       8.84669005       0.19955576       0.19458610      -0.31159744
Cl       0.17239502       7.13064997       1.66785995      -0.53491760      -0.48228921      -0.09445995
Cl      12.41610006       9.75700005       5.13688006       0.67016459      -2.09713486       0.90581654
Cl       6.52680003       4.72466003       2.97842000      -0.27520303       0.28292075       0.03286841
Cl       5.64803000      11.93020005       4.64437000       0.52495641       0.64949901      -0.06812278
Cl       7.95935999      12.23759994       8.86497002       0.66516478       0.16718027      -0.39099764
Cl       1.95887996      11.64650006       3.70473002      -0.04005575       0.35023909       0.21471743
Cl       2.41928996      10.35640006       7.72475002      -0.42684984      -0.70634056       0.92679779
Cl       5.82131994       4.04460996      11.87789998       0.75965772      -0.80893252       0.09591248
Cl       9.35002998       4.04588999       9.41818004      -0.52139907       1.18050931       0.57671818
Cl      12.03019998       4.55501999       4.95483005      -2.95252393       4.79815398      -1.92218193
Cl       3.62999998       7.18893004      12.54349994       0.42834234       0.28246634       0.57176755
Cl      12.11659996       1.07922997       6.68579002       0.43234188       0.14615010      -0.25568883
Cl       8.81994994       0.94342904      12.18280005      -1.69554286      -0.04565676      -0.38042528
Cl       0.70977705      11.26239994      11.78639995      -0.77060270      -0.63889633      -0.59179833
Cl       6.33292994      10.60590000      10.83570000      -3.58307100      -2.42631370      -0.23387218
Cl       9.43338003       6.23476001       4.90643006      -0.92538940       1.03986402      -0.55657412
Cl       5.68792995       1.49608000       8.02719004      -0.60479368      -0.44673912      -1.00498777
Cl       8.99096005      10.75850006       5.68382996      -0.97416022      -0.31791582      -0.00083508
Cl       3.61455006      11.08759999       0.76279503       0.20236172       0.61803875      -0.67585688
K        6.52104002       6.75056005      10.31810002       1.47453862       0.77878870       0.87423878
K        2.81043998       4.58455998      11.26370005       0.54140463       0.42996065      -0.74487770
K        2.20864005       8.84814006      10.63090001       0.88632153       0.67133614       0.44984883
K       10.46770004       0.95957205       1.50329003       0.42617161      -0.02244175       0.59626351
K        6.88709000       5.43509001       6.76583000       0.53273758      -0.53130481       0.22192427
K        9.76888000       1.65102999       8.36592999       0.39357372      -0.49956546      -0.35783638
K       11.23240002      11.95669996       4.59225002      -0.05815707       1.48347886      -0.50390625
K        0.86307097       9.74391004       1.22090998       0.32189992       0.37479298       0.93397127
K       11.62000002       6.93710001       6.48664006      -0.09842193       0.51207925       1.03135396
K        9.88858997       6.84360000       1.35057000      -0.68761744       3.80880071      -0.12953626
K        2.67403997       6.00344004       2.69659005       0.44672366      -0.52991390      -1.35707519
K        3.41048998      12.29490004       6.29976998      -0.28345181       1.60144437      -0.87746833
K        1.67870006       0.48431902      10.38460003       0.03335720       1.05319594      -0.73637303
K        2.15843998       5.08557006       6.81542996       0.26011293       0.12933651       1.18548456
K        4.62463004       2.47618999       4.29320001       1.19035125      -0.32233255      -0.02695784
K        5.85412997       8.41166005       5.19013005       0.21733821      -0.35790127       0.45743278
K        1.97569995       1.40867997       1.01346001      -0.13017500      -1.28148920       0.17734606
K       12.38820002       9.97912997       8.46951000      -0.45884394       0.02990241       0.04854292
K       11.57140000       5.07400002      11.37259997       0.17414251      -0.51696211      -0.19788770
Li       8.15445000      10.19230005       8.04984998      -0.11105590      -0.58193158      -0.04020940
Li       8.55956001       9.79516005       3.33437004      -0.02331438       0.25611245       0.53714137
Li       5.31178002       9.22148001       0.26149499      -0.33292077       0.12450789      -0.01987882
Li       9.28287000       4.54094002       3.49342001      -0.50868343      -0.68342589       0.63123206
Li       1.80575001       9.23679000       5.54310000      -0.13071992       0.59312284      -0.00792687
Li       5.89171006       6.42563006       1.58079003      -0.33726710      -0.33824554      -0.15247250
Li       7.79833996      11.54880004      11.41839999       2.90397031       2.27640349       0.80001174
Li       7.32853998      12.64991589       6.43514000      -0.04865191      -0.01296656       0.02875266
Li       8.04581995       3.13712004       0.17401310      -0.26554310       0.08648088      -0.46565622
Li       6.36307004       2.34229006       9.86686997       0.14801894       0.63932837       0.74803372
Li       4.82545001      11.30380004       8.33215994      -0.76969142       1.93808438       2.05862743
Li       4.10004002      11.27760006       3.01970998      -0.15513862       0.07947204      -0.31885046
Li       0.11199806       3.16842006       5.50629000       2.84414200      -5.58770530       2.00400957
Li      12.34970006       6.32875999       3.56711994      -0.16205085      -0.24739793       0.06187125
66
Lattice="12.79008693 0.0 0.0 0.0 12.79008693 0.0 0.0 0.0 12.79008693" Properties=species:S:1:pos:R:3:forces:R:3 energy=-571.88052267 stress="-0.009962752341267967 0.004990141452699446 -0.0010737259099068738 0.004990141452699446 -0.006903575408856697 0.0043826458636588295 -0.0010737259099068738 0.0043826458636588295 -0.012671111671735113" free_energy=-571.88052267 pbc="T T T" config_type=melt 
Cl       4.10226000      12.10320004       6.08461002       0.24781872       0.55568114       0.37117896
Cl       5.98809999       6.34603006       0.49576602      -0.11565085       0.20309383       0.11200269
Cl      11.16709998       6.70590998       5.48965994      -0.48212545      -0.38194554       0.76029531
Cl       2.01804000       2.43287994       0.43590599      -0.79262216      -0.66118707      -1.00439250
Cl      11.55980003      10.86230005      11.35620000      -0.05093776      -1.16659189      -0.26256696
Cl       4.50240004      10.59170006       8.87225999       0.33854472      -0.35199024       1.37070808
Cl      10.83129995       7.25302002      11.77199998       0.80408979      -0.04369360      -0.86639722
Cl       2.67236997       4.04937004       3.60946997       0.13012123       0.23509200       1.02198575
Cl      12.62230005       4.03355996       8.58663995       0.26623385      -0.25444598      -0.93268688
Cl       3.44173002       3.17355004       7.06454005       0.20937727      -0.03736561       0.40221385
Cl       9.63750995       1.21260998      11.29250000       1.27123975      -0.41106048       0.87338140
Cl       8.57298001       9.11003998       0.79217104       0.37947553      -1.03905016      -0.38603968
Cl       7.88934002       9.83123999       6.76765003       0.57539326       0.11641221      -0.03356612
Cl       0.60194498       7.55971006       8.56912994      -0.72607252       0.44207088       0.42009991
Cl       3.03059997      11.46549999      12.45009994      -0.12297683       0.07823666       1.56125367
Cl       6.84288005       1.15359000       8.39988000      -0.17845928      -0.30679453      -0.13943173
Cl       5.43718004       3.04916005      12.03549994      -1.60495347      -0.37976681       0.05146851
Cl       9.30803999       5.03281006       8.68723002      -0.67405958      -0.86895560       1.15899778
Cl       7.96980002       3.79189997       4.55341995      -0.34983252      -0.22550030      -0.00358201
Cl       5.32881999       6.43456995       9.98213999       0.08994745       0.04438547      -0.76132216
Cl       4.47028004      10.84500005       3.02713002       1.88572875       2.28813787      -4.18640566
Cl       1.07093994      11.59339997       4.93648996       1.68658777      -0.93545068       1.30881426
Cl      11.01819996       0.91009999       6.09377003       0.02203871       0.30218497      -0.57860040
Cl       4.47989000       8.32125997       5.78896998       1.37290480      -0.01565523       1.01153567
Cl       8.62489996      11.09719998       3.33772001       0.71714167      -0.16302837      -0.16797950
Cl      10.28480000       5.03872995       1.60133999      -0.04027053      -0.39529268      -0.23335038
Cl       1.76362995       6.91565999      12.17220000       0.58062615      -0.52092616      -0.13423678
Cl      12.36839994       0.83458297       2.66352998       1.05334185       0.57250938      -1.88855476
Cl       1.94415998       7.82601003       4.36380998      -0.90753416       0.09340890      -0.84549077
Cl       2.29048995       0.27618095       9.52275000      -0.48352990       0.56914417       0.07827228
Cl      11.54079997       9.38451000       3.72215997      -0.83050258       1.17957713      -2.49962709
Cl      11.50609995      10.15299995       7.59773000      -0.37630814      -0.01396005      -0.35463261
Cl       6.36292001       0.98016102       2.38574003      -0.24600579       0.48229063      -0.67026896
K        7.85036005       7.26705995       8.17261998      -0.60064458       0.91121174       0.01996137
K        1.74481995      10.33210005       7.94368996      -0.08987575      -0.13245296      -0.42900501
K        4.22993998       8.57863003      12.21320004      -0.05236311      -0.10480727      -0.37560281
K        7.07405997       3.78660999       7.49894998      -0.53792158       0.16228729      -0.71970121
K        4.48165004       1.88843996       4.74779998       0.17986801      -0.12261595      -0.76420306
K        0.38004106       7.04509004       1.80430997      -0.66045043       0.17897183       0.60436148
K        9.92960995       1.80429999       2.46111994      -1.24615640       0.57207132      -0.11946444
K        6.97750006       3.82580994       1.44687999       0.53778671      -0.12860291       0.85495591
K        0.99013703       1.56906996       7.18554003      -0.72384509      -0.21677835      -0.18640369
K       12.53560001       4.25971006       4.93009006       0.08950850      -0.12148533      -0.11755692
K       11.98470002       4.42002996      11.25229999      -0.20239094       0.47076942       0.62090128
K        5.72367006       6.96765003       3.41991998      -0.06075553       0.13791866       0.30872325
K       12.47280005       0.45867797      12.02900002       0.47836707       0.69716686       0.24312656
K        9.69251998       0.18633097       8.58155001       0.08744116      -0.67656678       0.00259647
K        7.72146002       2.81794994      10.68240006      -0.14631236       0.90756123      -0.85485950
K        1.69607002      11.03160000       2.24342000      -0.42691805      -0.07732277      -0.01483299
K        7.77633001       0.46623397       4.72608996      -0.03991374       0.23879341       1.20600004
K        6.65643000      10.97620000       1.06390002      -0.27851243       0.88038456       0.25383262
K        2.70344003       5.89820998       8.11418003       0.46081807      -0.07298705      -0.16174981
Li       3.73298998      11.86030005      10.65670005       0.72930965      -0.10505337      -2.18802241
Li       5.82539000      10.28099994       7.11092995      -0.93339126       0.08941184      -0.40769480
Li      10.99949996       5.55316004       7.71177000       1.61661440       0.58311746      -0.74941107
Li       3.84067995       9.85663995       4.35130997      -2.16998700      -2.70186347       4.21855727
Li       3.64426003       1.20165003      12.68053498       0.68057490      -0.15108253      -0.05501172
Li       4.55404002       5.19603996      11.57619999       0.12619217      -0.12511177       0.50529065
Li      11.84609998       8.72059002      10.11470003       0.09646732       0.15450046       0.05323673
Li      12.33030006      12.59880005       4.34122998      -1.94535867       0.13149064       1.21012050
Li       2.07801003       3.98444002       1.69809994      -0.05274358       0.74711989      -0.29003419
Li      10.00089998       9.83883998       5.88260006      -0.24017337       0.23701057      -0.22560915
Li      12.22389997       8.70132994       5.34805002       1.96612221      -1.22509814       2.49505396
Li      10.44389999       9.83038996       1.91134995      -0.94996034       0.28606792      -0.18040341
Li       3.59448996       0.99399094       7.83152998       1.08048578      -0.46322590      -0.04102996
Li       9.01535996       6.99561005      12.77915934      -0.42065152       0.04963520       0.73080216
66
Lattice="12.79008693 0.0 0.0 0.0 12.79008693 0.0 0.0 0.0 12.79008693" Properties=species:S:1:pos:R:3:forces:R:3 energy=-567.08879282 stress="-0.016716201592448052 -0.0006210346706364822 -0.006008530779330169 -0.0006210346706364822 -0.016548653878597403 -0.0034667203964233507 -0.006008530779330169 -0.0034667203964233507 -0.015649253268644376" free_energy=-567.08879282 pbc="T T T" config_type=melt 
Cl       3.32020003      10.68269999       5.55224005       0.76187554       0.66199967       1.53694151
Cl       2.47235002       5.37447997       4.51082001       0.82232374       0.55117615      -0.93381133
Cl      11.98219994       7.07351997       2.58305002       0.37213636       0.76019253      -0.63276297
Cl       9.63227995       9.25440003       2.74425998       0.55453526       1.62834214       0.32701945
Cl       7.80571996      10.45889995       7.25508997      -0.12052484       0.25485877       0.02243479
Cl       8.93040001       5.18355006       2.73769995      -0.10734686       0.61541215      -0.04005241
Cl       4.24970002      11.44840003      10.93989994      -0.24212848       1.31745716       0.43291393
Cl       9.43353006       1.01275004       8.91208998       1.88938904       1.45876080      -1.77688911
Cl       8.27829001       8.63863997      12.24650005      -0.36563131      -0.29853233       0.22191732
Cl       6.64996000       2.21831997      10.22589999      -0.63646596       0.00124917      -0.33543249
Cl       1.65932999       2.17891000       4.94763000      -1.59228604      -2.07768777       0.02002678
Cl       2.83028994       2.38339996       0.75577800      -2.16405996       0.25139787       0.01635507
Cl       8.06347999       4.79215997       6.97068000       0.17060194       0.57123014      -0.03336769
Cl      11.80000003       8.11682003       9.07992994       0.49646962      -0.04106764       0.83141363
Cl       5.41121003       7.08796996       9.61889999       0.17842480      -0.19354466       0.18313615
Cl       9.28096005       1.57294996       4.53717999       0.32745869       0.26181626       0.64953206
Cl       0.27243000       0.50212206      10.66830002       0.72000262       0.87075547      -0.45481280
Cl      12.69099995      10.83050006       6.67328004       0.91126713       0.78636210      -0.41613813
Cl       6.58949998       7.06848004       4.71873003       0.81204026      -0.50413355      -0.62883565
Cl       3.61273003       8.14292997       1.52955997       4.81824193      -1.16453413       3.80057042
Cl      11.79530006       9.93412997      12.24500003       0.75573369       3.20798061       0.34331811
Cl      10.98999999       3.22917004       0.88413497      -0.10801331      -0.01389468       0.56847601
Cl       3.38045003       3.47623001       7.50131001       0.13793875      -0.55650064       0.51548493
Cl       7.78032000       4.82410999      11.89849995      -0.82395308       1.93625620       2.70837029
Cl       1.08035997       9.88023996       3.13337996      -1.59541210      -1.55997365      -3.56421146
Cl      11.51849994       7.54489006       5.62572997      -0.58250025      -0.42126098       0.35140181
Cl       5.48067005       0.14901308       3.68363994       0.02669108      -1.51176336      -0.35470907
Cl       1.52394999       4.14245003      11.32219999      -0.66591439       0.58208514       0.41722337
Cl       6.13226000       2.98407999       4.20321995      -1.54515878       0.55900801       0.24071794
Cl       8.94817005       0.06401311      11.89579996      -0.30786473      -1.19643120       1.24267296
Cl       2.25671005       7.65443997       7.32614005      -0.03300782       0.63736566      -0.72546549
Cl      11.68240004       3.88376003       6.04868996       0.57039038       0.35589594       0.14094060
Cl       2.35866994       7.66493001      11.55169994      -0.18887666       0.02090547      -1.63891361
K       10.93560004       1.98851996      11.29810001      -0.39943499       0.45182192      -0.81708713
K        8.30211999       0.08761312       2.52382002      -0.26560339      -0.48491204      -0.55573837
K        1.02148004       1.65640003       7.68326000      -0.74642957       0.25813849       0.00201459
K       11.15270000       7.60947002      12.21820006      -0.60003740      -3.20958767       0.15474974
K        4.37609998       0.67765001       6.23081005      -0.27479428       0.01669164      -0.16292534
K        3.77382003       9.53610003       9.18198000      -0.04461376      -1.21513757      -1.26399977
K        5.13813003       1.93122997       1.46870001       2.51155285      -0.48812960       0.42598602
K        5.37996998       9.21785006      12.18519998       0.30424162      -0.34487418      -0.05660645
K       10.62159996      12.60179587       6.70617000      -0.85087840       0.31798158      -0.49444927
K        0.11286599       0.37316805       2.04935998       0.17592675       0.29550549      -0.19824771
K        5.61380999       9.51742996       5.16121000       1.23934586       0.61290728       0.03157905
K        4.65586995       5.92903000       6.71208005       0.38994039       0.05526165       0.07812424
K        4.41131006       5.47196000      12.17940006      -0.20702233      -0.04891373      -0.14608380
K        0.25954297       4.69919996       2.29403997       0.54535128      -1.21871029      -0.20477908
K        9.29558002       7.91198998       7.96074004      -0.81712799      -0.08284350      -0.21133406
K        1.40832005       5.87977000       9.23391006      -0.41290703       0.12611476      -0.20128683
K        7.16874000       2.08271000       7.04323995       0.45035785      -0.05770373      -0.04145992
K        3.01167998       2.18126005      10.30689999       0.75770265      -0.85972661       0.27144373
K        1.05886994      10.84970003      10.36409995       0.12248337      -1.50019412      -0.15331622
Li       9.53908000      10.37500004      12.02184089       0.34268738       0.83116162       0.06767604
Li       0.57049300       5.48052002       5.39641995      -1.38498371      -0.04883204       0.80836570
Li       3.16740005       3.12140000       4.21916996       1.90238400       1.41120303      -0.74736834
Li       2.18176002       8.48368999       0.57831401      -4.78099563       1.49447968      -1.82390679
Li       9.06184003       6.08737997       5.18179002       0.17700744       0.01502911      -0.20322564
Li       7.98916997       8.19879003       2.41034995      -0.94755570      -1.36629426      -0.16987437
Li       8.07415997       0.09429696       9.87144997      -1.95831353      -0.84172732       1.28218985
Li      12.50380002       8.80369003       7.09016998       0.54250389      -0.89075354       0.43379305
Li       1.62926996      10.72409997       4.63466003      -0.69809264       1.96754568       2.99397586
Li       2.42186000       8.01077997       3.51099998      -0.17342036      -0.37452092       0.17329930
Li      11.50609995       8.99092002       3.93475002       0.29016217      -0.38325646      -0.44609134
Li       7.93611004       3.96443005       4.21699002       0.69943629      -0.28315130       0.33226455
Li       9.00672997       4.33924995       0.51541799       1.64582716      -0.52419732       2.23912884
Li       7.58046006       4.38170996      10.16409995      -0.78107649      -1.38155857      -4.43227506
66
Lattice="12.79008693 0.0 0.0 0.0 12.79008693 0.0 0.0 0.0 12.79008693" Properties=species:S:1:pos:R:3:forces:R:3 energy=-569.45808214 stress="-0.007753330924150757 0.0008082517515162584 0.001140694725084332 0.0008082517515162584 -0.013309114658877439 -0.0077378583166503295 0.001140694725084332 -0.0077378583166503295 -0.01716736648938624" free_energy=-569.45808214 pbc="T T T" config_type=melt 
Cl       7.66061003       0.33837403       5.26457999      -0.19802522       0.92530464       0.11859702
Cl      10.09839996      12.21240002      11.58799999      -2.28901827      -0.23507687      -0.55294615
Cl       9.69224998      10.23969998       2.27543998      -0.32583139       0.52290869      -0.23898094
Cl       3.73034998       0.63163000       4.52201006      -0.93031606       0.23333549      -0.78242833
Cl       6.89198004       7.68709997       3.94136006      -0.43652544       0.76382749       1.14160258
Cl       1.05058004       4.51646005       2.54838006       0.50500461       1.45607379       0.16224455
Cl       8.67281994       7.73183995      10.80509997       0.70587099      -0.36517894      -1.30167654
Cl       7.44582994       0.51514799       0.83313501      -0.92328240       0.54821405      -0.26945426
Cl       3.50997000       1.32087998       7.25216999       0.12046880      -0.01759029       2.05336353
Cl       0.06167559       8.19080006       2.41219006       0.47762493       0.10085429       2.12797542
Cl       7.60641997       4.52554997      11.41769999      -1.04836287      -1.30834665      -1.30042437
Cl       0.70903203       4.47843001       6.81963995       1.75222201       0.94252930      -0.17983837
Cl       7.49204999       6.27094995       1.39229996       0.29111241      -1.07123885       0.38958161
Cl       4.70483002       6.71468999       7.78100005      -0.11124790      -0.53682026      -0.34075765
Cl      11.01500001       0.82628297       2.00417004      -0.68114341       0.88296402       1.10309466
Cl      11.12310003       4.73112005       9.54130995      -1.17202734      -1.13074112      -0.94638968
Cl       3.99811006      10.01669996       5.83978998       0.35311745       0.07953854       0.23762435
Cl       1.64527995      11.74190004       1.69678000       0.27488596       0.62044812       0.64578027
Cl      11.58919996       1.01450995       7.35963997       0.10068233       0.57419612      -0.04971812
Cl       1.42851995      10.44680001      10.60449999      -0.29279265      -0.04171734       0.08639752
Cl       4.69966001       2.88906001      11.42190000      -1.16617015      -4.77501930      -0.55433324
Cl       5.35941005      10.48690000      12.68139997       0.02835198       0.13867922       0.11712586
Cl       1.12475001       5.87681997      10.91320000       0.06733203       0.65391482       0.43954197
Cl       5.66840998       4.13768994       3.56757003       0.51122721       0.21990875       0.03237011
Cl       6.98088994      11.12069997       9.57247005      -0.16929524       0.95032503      -0.05475671
Cl      11.18079995       5.23864003       0.22342095      -2.71957051       1.22353676       5.18127026
Cl       0.30371302       8.95127996       5.67450995      -4.30314623       2.89391761       6.43227072
Cl      11.21209998       3.41346994       4.37818003      -1.02841125      -0.69969986       0.55008018
Cl       0.08795871       1.84750005      11.31579996       0.25957050       0.25782554       0.30249281
Cl       3.80346003       6.35843005       0.34750896       0.07711556      -0.20398421      -0.63029785
Cl       9.42078998       6.11102002       6.43505994       0.01961497      -0.24138576      -0.47335896
Cl       9.85800005      10.99389994       6.84543998       0.99363045      -0.27107799       0.25426794
Cl       3.27045004       7.06546004       3.59639006      -0.01822102       0.11158878       0.69779052
K        3.70334997       0.12655996      10.58979996      -0.04339668      -0.31515870      -0.13454633
K        6.74573000       8.69659006       8.41890999       0.47060838      -0.71019814      -0.00139788
K        1.10280005      12.51819999       5.69243002       0.14233124      -0.15086218       0.16742146
K       12.71080003       7.83302002      12.74620005      -0.46831062       0.29670196      -2.21818048
K        0.73771303       2.01453001       1.95833996      -0.11823970      -1.07444551      -0.48925458
K        7.79754006      10.38520001       5.32202002      -0.98806300      -0.88646564      -0.97491154
K        4.04538005       0.48952996       2.01513997       1.08145194      -0.05414424      -2.18279890
K        2.80755006       8.51354998       8.91909997      -0.12322423       0.24928686      -0.01386336
K        3.09526000       9.43501998       1.82605005       0.60653733      -0.58863262      -0.26193390
K       12.24910002      12.13640004       0.16185203       1.37967327      -0.69250732      -0.36171498
K        8.12939000       2.49476005       3.25790002       0.22171678      -0.18954672      -0.39842805
K        7.96386005       8.70172004       0.30610195      -0.59717309       1.64280711       1.24928323
K        8.13569999       3.31277998       8.44741998       0.08867630       0.43383700       0.05716458
K        2.59234994       4.16832003       9.35584000       0.06710071      -0.88854326      -0.64856810
K        3.47132999       3.49358001       5.41645997      -0.26112531       0.58684722      -0.24274333
K       11.79310004       6.93491994       8.10830004       0.09038092       0.63332543      -0.28431803
K        9.53401998       2.37684005      11.61370001       0.57896927      -0.22156685       0.40798885
K       11.48630000      11.27649998       9.36381999       0.17444373       0.18059022      -0.53190785
K       10.67270006       8.53660002       4.29099998      -0.61495692      -0.08135112       0.18608286
Li       4.90386002       4.65056002      11.55059999       1.23950145       4.89189601       1.00405864
Li       4.58790996       7.75177995       5.37888001       0.18149844       0.02546445      -0.11640837
Li      11.59269997       3.91659001       6.92294995      -1.48530091      -0.92520939       0.03858681
Li      11.88879994       4.87176995      11.46389995       2.70807052      -1.51695568      -4.54573539
Li       1.31219002       8.33055005       4.49104001       4.94601929      -3.08838070      -5.95375325
Li       5.31022999       6.26748997       2.05447998      -0.10386756      -0.18482896       0.62937024
Li       8.66149995       5.93675994      12.38820002       1.11065647       0.63321455      -0.05894721
Li       1.70716005       5.41677998       0.49364696       0.18560062      -0.19575564       0.17731545
Li      12.16670091       5.22604998       4.04733003       0.80805598       0.26795390      -0.38097183
Li       5.08171002      12.70849654       5.86646000       0.52798815      -0.31461743       0.98080111
Li       9.24202997      12.56480004       1.52861005       0.46500829      -1.19868721       0.07217823
Li       7.83528003       5.67941994       4.01592998      -0.40677778       0.24428674       0.00075727
Li       7.61325998      11.46790005      11.65909996      -0.18613484       0.40407755       0.23955993
Li      10.17379995       0.40878806       5.76406000      -0.40216326      -0.41444527       0.19170402
66
Lattice="12.79008693 0.0 0.0 0.0 12.79008693 0.0 0.0 0.0 12.79008693" Properties=species:S:1:pos:R:3:forces:R:3 energy=-569.8902876 stress="-0.009851680354765541 -0.005190245296331814 -0.0012364060143449575 -0.005190245296331814 -0.010319202580639729 0.0009198782773799915 -0.0012364060143449575 0.0009198782773799915 -0.012239276497623953" free_energy=-569.8902876 pbc="T T T" config_type=melt 
Cl      12.77600006       2.73703000       3.18999003      -0.76888951       1.29931248      -0.14978243
Cl       1.27970000      10.30020003       0.04647137       0.23643970      -2.20448779      -0.04290725
Cl       8.20433006       9.84854996       3.85635996      -0.22383316      -0.34148016      -0.24791683
Cl       6.31403003       8.84913999       0.33974103       0.14683587       0.03451458       0.87676709
Cl       9.19026005       2.68597006       1.28536997       0.43023806       0.13736144       0.02909143
Cl       4.43505998       4.74432006       0.66034605       0.23495338       1.54163163      -0.18008458
Cl       2.69301995       3.09260004       6.67589996       0.45440031      -1.32628323      -1.18422796
Cl      10.80390001      11.50040005       0.17960697      -0.03454445      -0.07821274       0.13877959
Cl       7.95268996       5.91629005       2.01367998       1.05174586      -1.67402227      -0.76272662
Cl       6.40457003       2.21287996       6.61740002       1.53515199      -0.45752534       3.99333923
Cl      11.48049995       5.46808997       1.55624994       0.81051193       0.94439972      -0.01345234
Cl       7.54123005       1.13871999      11.75020004      -0.42887395      -0.69623968      -0.08547498
Cl       2.76029005       9.88292997       9.40180003      -0.23320837      -0.04412717       0.13924412
Cl       5.31629006       6.98115994       9.07943996      -0.12311140       0.01606588      -0.38903067
Cl       2.06878006       6.50195005       2.80973001       0.63466791       0.73644680      -1.12775796
Cl      12.77269996       3.56681004       8.26303003      -0.27972966      -1.50163055       0.13169322
Cl       3.26955998       0.32527800      11.02620003      -1.06971790      -0.12071910       0.27680373
Cl       4.64496999       0.26396297       4.29062997       0.05778461      -1.21550114      -0.58227112
Cl      10.24649996       6.81950002       7.85824003      -0.03146988      -0.17659930       0.84558888
Cl       6.38243001      10.84369994       8.71014001      -0.08339985       0.24562998      -0.35557510
Cl       5.58965003       6.84204997       4.26313000       0.71761469       1.40116624       1.10257702
Cl       9.81332005       5.77561994       4.83716995      -0.04914223      -0.22148898       0.89546544
Cl       1.20434004       0.51943996       1.19961001      -0.13889286      -0.15748778       0.29501869
Cl       8.25895000       3.97130997       9.90764004      -0.08639526       0.34340973      -0.73271356
Cl      10.29240000       6.93808996      11.65820005       0.72671817       0.83185092       0.95621589
Cl       1.04979000       7.67090004       7.05679003      -0.12388204      -0.63087948      -0.58548231
Cl       0.08021303       8.98010997       3.72597999      -4.66530516      -0.75932659      -4.58562516
Cl       2.01362000       4.03537999      10.78330004      -0.23290231      -0.24919210       0.48778573
Cl       9.98768999       0.35035796       3.21701996      -2.65950722      -3.21707130       2.69511970
Cl       5.26560000       3.43462002       3.38450001      -0.17496167      -0.18139825       0.47845773
Cl       1.69819996      11.09320001       4.63909000       1.02351971       1.10900933       0.62920876
Cl      11.17319995      11.62640006       8.04944006       0.28906554      -0.24929543       0.15448977
Cl      11.53680000       1.21163000      10.43739994      -1.91231681      -1.40945084       0.95889094
K        2.86055999       6.73214002      11.89179999       0.32325643       0.25543579      -0.07765820
K        7.10261000       5.80802004       6.64753001       0.09855556       0.33257645       0.54539176
K        8.58291996       0.96853100       8.96665006       0.18343896      -0.03839161      -0.04604198
K        0.86160203       5.19285996       4.74644999      -0.60453505      -0.65981070       0.68632522
K        1.78208003      12.12960006       7.74395996      -0.23323491      -0.09917613       0.07147507
K        9.85846995       8.99325997       1.42424998      -0.65603511      -0.30042898      -0.12668984
K        9.22675004      11.54660002       6.05066999      -0.43564932       0.17997248      -0.36966845
K        3.05367994       5.08392001       8.31032995       0.17408603       1.31576303       0.57861707
K        1.69148004       1.29231998       4.50089004       0.99418043      -0.87500265       0.39294574
K        7.76011000       3.33179999       4.78490006       1.51923469       0.75343212      -1.93206768
K       10.57449995       3.93544004      11.61329994       0.24073658       0.26088272       0.41559943
K        7.09765001      12.77668407       2.12063005       0.42022380       0.37831489       0.00533719
K       11.62680000       9.65429003      10.74569999       0.11486987       0.08062317      -0.55921566
K        6.85096005       4.16903998      12.45309999       0.85213409      -0.06124915       0.16963596
K        4.72147005      11.10510003      12.37679996       0.03951974      -0.29515412      -0.59004025
K        4.95526005       1.64395003       9.49032994       0.80576784       0.52902607      -0.62634510
K        2.31098005       3.30533999       0.98098496      -1.22715442      -0.79082840       0.30173522
K        4.61183995      10.19830001       3.69012004       0.07514319      -0.36606161       0.13042821
K       10.83530005       8.35723005       5.56287002      -0.24161484       0.25389829       0.36058562
Li       1.45449994      12.21030001      12.07939999       0.11522071       1.12018111      -0.44017642
Li      12.47120001       5.35578994       7.62199996      -0.96025572       2.62713406      -0.31844013
Li       1.40457000       9.00377994       4.92172995       3.20784874      -0.51238562       3.49737539
Li      11.14619995       1.50452005       2.43566000       2.15412354       2.64921555      -2.02183752
Li       9.79157000       0.68460705      12.14870001       0.06921837       0.04294786       0.28833124
Li       9.92517000       4.83616004       3.00565994      -0.15053720      -0.26805476      -1.50559693
Li      12.55995387       7.66289997       1.83025006       0.60996085      -1.07174768       0.34854565
Li       4.33507999       6.01256001       2.93298999      -0.68427105      -1.31010446      -1.26788894
Li       0.17777594       2.46323005      10.13929997       2.18316593       1.55492271      -0.32366814
Li       5.11772997       2.02252996       5.26803997      -2.42786066       0.67485757      -1.97996913
Li       7.21573998       7.61932005       2.57372003      -1.21013614       1.77732356       0.60340860
Li       9.26498997       6.74944002       9.94522997      -0.80853097      -0.46089709      -1.37104763
Li       4.51945997       9.20671002       8.21698994       0.63125817      -0.08811625       0.73807690
Li       0.18711309      11.19059997       1.68887995      -0.20169218       0.68252224       0.36302961
66
Lattice="12.79008693 0.0 0.0 0.0 12.79008693 0.0 0.0 0.0 12.79008693" Properties=species:S:1:pos:R:3:forces:R:3 energy=-568.06014375 stress="-0.014476634647445233 -0.003055509690033794 -0.001633305077622064 -0.003055509690033794 -0.007890065537024218 -0.0030777819473721785 -0.001633305077622064 -0.0030777819473721785 -0.01500779990035915" free_energy=-568.06014375 pbc="T T T" config_type=melt 
Cl       3.19943999       4.12172996       1.73554995      -0.14184432       3.16783096       2.81482136
Cl       9.38423003       4.21123998       4.36682000       0.20974072      -0.04037631       0.39802384
Cl      11.11849995       6.29040994       9.22898997      -0.01439531      -0.02848409       0.09797318
Cl       9.32664995      10.70590006       8.18402004       1.25458048       0.10346418       0.80597587
Cl       6.96157001       2.11574999       5.80712998      -0.67499151      -0.89143101      -0.37954743
Cl       8.93433002       0.90324297      11.30269997      -0.46895215      -0.08717834       0.16288023
Cl       2.90502997       1.04563002       8.91322996       0.38877981      -0.76633064       0.42750749
Cl       1.92164994       5.39093006      10.45300001      -0.06990776       0.23307755       0.26800090
Cl       9.55358997      11.67280006       4.74239003       0.00975879       0.38360399       0.16522038
Cl       5.54574997       9.49732995       3.56942996       0.16918174      -0.45586697       0.16763873
Cl       1.68329004       7.72452005       0.80108906      -0.65870310       4.91826239      -2.04890279
Cl       0.08473906      10.12259996       4.83939005       2.69269320       0.75648413       2.32610677
Cl       4.99946004      10.45860002       9.83608999       1.29414327      -0.30132573       1.43237397
Cl      12.50180003       4.72149001       0.50540195       0.93880897       0.10384715       0.92067354
Cl       9.37943004       8.63717000       2.21301003      -0.04487034      -0.07374090       0.47162299
Cl       9.96467999       2.11956003       7.37494996       0.62131882       0.82545767       2.12345054
Cl       1.86707003       0.71135905       1.99775006       0.46544406      -0.07677600      -0.29940445
Cl       5.80560003      11.72020000       0.44232994      -0.95640382       0.04477709       0.67649135
Cl      12.73450006       2.40385003       5.61371995      -1.83671144      -0.17252356       1.39314170
Cl       8.89402002       4.88975997       0.85183104      -0.93497236      -1.48269593      -0.29725171
Cl       1.32406996       9.33167006      10.02620005       0.42567369      -0.03539912       0.12464616
Cl       5.49330998       2.33574998      10.96810004       0.07497297       0.34267205       0.77318382
Cl      11.81479995      11.51400000       1.75933005      -1.55498757       3.41932215       3.63021900
Cl       8.56404997       8.91623998      11.15550001       0.68475402       0.21641936      -0.01845353
Cl      12.57209998       0.13352505      11.38200004       2.00522057       0.37098319       0.61741744
Cl      11.11000004       7.36335997       5.41105002      -0.09198628      -0.20545250       0.76648077
Cl       2.02408996       5.61871998       4.91368997      -0.16795860       0.43074923      -0.18128216
Cl       5.95479000       5.87798003       3.81921000      -0.17514068      -0.75935961      -0.01270718
Cl       7.39353000       4.46539000       8.16194000       0.24061985       0.19303018       0.56705248
Cl       4.19233994      10.91540002       6.60453000      -0.80245891       0.11072008      -0.02386094
Cl       7.16093996       2.42311996       2.36301000       2.32716916      -0.93835520      -0.47165232
Cl       4.06295005       4.88491995       7.40166999      -0.65702587       0.62677868      -1.46473030
Cl       5.00987002       7.17773002      10.12689998      -0.25446121      -0.41695463      -0.05578637
K        7.74090006       7.21196000       8.95936995       0.43843234       0.40511556       0.01637808
K       11.00810001       1.93929002       2.80606002      -0.12864420      -0.33684194       0.01211414
K        7.11188000      11.09019996       6.85605997      -0.83963607      -0.10081462      -0.95745355
K       12.17489999       8.99555003       7.95650997      -1.14434146       0.01122519      -0.37077508
K       10.44410002       6.82103995       0.03994383       0.39643069       1.24713930      -0.68178938
K        2.48092002      11.63390003      11.62830002       0.47250793       0.24899434       0.12126937
K        1.82494997       3.57366003       8.39596994      -0.73050866       0.00479466      -0.51824275
K        7.27064003      11.74940002       2.91661996       0.33255507      -0.03778785      -0.03162750
K        2.63053002       8.02185005       7.50153998       0.50830520      -0.07513032      -0.13814389
K        7.05250995       1.04886003       8.84546002       0.26306908       0.49831964      -0.30115544
K        4.75968006       2.13435995       1.90794996      -1.61757940      -2.25927266      -0.31631633
K        2.57141001       3.19448997      12.41149997      -1.17472344      -1.39850526      -3.25719397
K        0.91254699       0.14508896       7.12382006      -0.37192079      -0.63648548      -0.35575419
K       11.01600006       3.11379002      11.74650000      -0.62475879      -0.19886359      -0.61502290
K        6.36556999       8.31878995      12.61359997      -0.47169449       0.02851212       0.67878518
K       12.51179996       9.98741999       0.22588803       0.93282123      -3.35375561      -3.60107445
K        1.82392996       2.73620005       4.07445000       2.27989557       0.48876435      -1.52304100
K       12.11189999       5.60368996       3.36029004      -0.44720086       0.08304949       0.18255732
K        2.15329005      10.58629995       3.16193997       0.78564505       0.16481578      -0.43221220
Li       2.77473006       7.44050005      10.68879997      -0.02966601       0.00322061       0.33546026
Li       4.29963994       5.76832000       5.25489994      -0.31725054      -0.27404536       0.08868185
Li      10.85639999       0.03571312      10.53680002      -2.31200005      -0.54760845      -1.10251627
Li      11.20740001       9.69434999       4.08030006      -3.22799684      -0.55278342      -1.44165756
Li      11.19059997       5.67673006       7.16528002      -0.28038116       0.13237641      -0.65091577
Li       6.91725005      11.96610003      11.55290003       0.75857354      -0.13811521      -0.88471797
Li       7.20646001       7.58686994       3.95675997       0.46078436       0.99664454      -0.60322276
Li       5.35209002       4.55103997       8.87960994       0.73266889      -0.08363876       1.57077251
Li       7.19918002       2.80935001       0.14895502       0.50408395       0.39645224      -0.58823558
Li       9.62428998       0.82769001       5.94616999      -0.47948453      -1.31984029      -1.38570025
Li       3.91519999      11.67429995       8.75246995      -0.90648209       1.10354434      -1.44853423
Li       7.07986002       3.77104995       3.94565996       0.46822066       0.69834719       0.85814501
Li       1.97118006       6.15721001       1.55670003       0.98233177      -4.89923053       2.01107097
Li       8.43227000       3.50706997       6.55358005       0.49085512       0.18617407      -0.54725498
66
Lattice="12.79008693 0.0 0.0 0.0 12.79008693 0.0 0.0 0.0 12.79008693" Properties=species:S:1:pos:R:3:forces:R:3 energy=-567.72837588 stress="-0.014116467389660716 -0.001040182754113497 0.00259650253660723 -0.001040182754113497 -0.013307243997452794 0.0010171640310081848 0.00259650253660723 0.0010171640310081848 -0.015608252564260612" free_energy=-567.72837588 pbc="T T T" config_type=melt 
Cl      12.12790000       5.33037003       9.72695000      -0.85143556      -0.22638813       1.08324731
Cl       0.09684526       9.25610994       5.73415998      -0.74658552       0.13587735       1.10236173
Cl      11.99819995       9.03476994       9.73687997      -0.85086514      -2.05929324       1.20971366
Cl       4.08075999       8.26489994       6.78083994      -0.90433687       0.77016877       1.28992410
Cl       4.16494997      11.64780005       6.22190994      -1.90393878       0.58621151       0.75437055
Cl       1.55202998       9.71537996       3.11352002       0.19651865       1.73092394      -2.33274940
Cl       3.66120996       3.87594005       7.74866006      -0.04977377       1.60329259      -0.10368432
Cl       8.97502002       4.04365006      11.21440002       0.21383243      -0.11867246       0.61986300
Cl       7.72383003       6.92575994       6.02712996       0.24853681       0.28187021       0.07974034
Cl       9.02139995      12.21800003       2.62252994      -5.32672087      -2.53640990      -3.58424902
Cl       4.98251995       0.71442701       1.96543002      -0.40747377      -0.28329685       0.00268502
Cl       6.71187003      11.91599998      11.93729995      -2.17278448      -0.58893823       2.13074493
Cl       9.65624998       8.06305997       1.11110005      -0.17201349       0.06224776       0.25223580
Cl       1.27466006       1.23972995       4.40551001      -0.79747104       0.37529604       0.23496623
Cl      11.19440003       0.28692897       6.34957995      -0.41561022      -0.88933819       1.29555727
Cl      12.64969999       1.93863006      11.41590004       0.73900115      -0.26501540       0.31081900
Cl      10.74199995       2.23221000       1.36443995      -0.02269285       0.53946876       0.32860973
Cl       2.83166002      12.65607790      10.69349994      -0.41347198       0.24002570      -0.08918520
Cl       5.38890002       8.68130003       2.43616994      -0.22056648       0.12996796      -0.15592890
Cl       7.77843001       1.01287001       5.09562998      -0.55174851       0.13653774       0.29691750
Cl       1.83284005       5.46176003       3.12037001       0.89839779      -0.27451797       0.45580040
Cl       4.24787002       4.25661997      12.52909996       1.79286323       2.14520256      -1.60367352
Cl       6.36705006      12.00389998       8.63023995       0.68277636      -0.43328894       0.02508785
Cl       8.90800994       1.83329000       8.56931002      -0.22851144       0.25117998       0.00557293
Cl       7.85135998       8.12486000      10.60029998       0.93581851      -1.25579449      -2.05530289
Cl      10.05650002      11.93239994      10.45250004       0.29074192      -0.08675728       0.27079144
Cl       0.88671997      12.30390004       1.62618000       0.00108340       0.47892713      -0.06147383
Cl       9.08964005      10.15849994       7.05840004       0.33136545       0.22425168      -0.27743378
Cl       0.70069596       2.70443996       7.99352998       0.42515131       0.01509355       1.06557362
Cl       6.29211000       3.48080003       2.49797995       0.04680227       1.71805828      -0.12951022
Cl      10.57020005       3.90241003       5.21109006      -0.37823685      -0.15446635       0.34237951
Cl      12.38820002       6.20602005       0.70402202       0.76606613       0.83851526      -2.17541061
Cl       3.19338005       8.55706006      11.18709996      -0.41936438      -1.02042996      -0.54991721
K        6.56950997       5.04474999      10.76219997      -0.91262687       0.82204530      -0.40916003
K        7.86595999       1.68059005       0.78311298       0.34223057      -0.39255802      -0.25423219
K        1.74736006       4.46792999      12.57160001      -2.55608268       0.33092785      -0.15520553
K        2.43375005       7.71751006       1.41040995       0.21594973      -0.34789330      -0.58133148
K        8.53068000       5.64772994       2.49693999      -0.22994283      -0.05403712       0.21434476
K        4.87034002       1.60021996       7.80068003       0.97757505      -1.68437832       0.06820780
K        5.07378003       6.99207001       4.83567006       0.65030199      -1.20689252      -1.32982538
K        3.18012005       3.07859004       4.79320006       0.49170916       0.80303314       0.06041507
K        6.94244998       9.24811997      12.68530005      -0.04892511       0.28545621       1.55608801
K       10.78960005       0.21132204       3.72775001       5.02195588       3.09508241       1.74638173
K        0.11115097      11.04630004       8.60907006       0.49068939       2.06622190      -1.67136589
K        3.78558998      10.51480004       0.02028904       0.46753664       1.63667879       1.11819626
K        1.48965004       5.96390997       8.27122004       0.81100491       0.30023773      -0.59084530
K        9.70589995       5.26765997       8.11272004      -0.20322722      -0.29935220      -0.29055511
K       12.76260001      11.41819995      11.95129998      -0.44653921      -0.26921366      -0.40687972
K        3.60292004      10.49299998       8.82887998       0.55640397      -0.35511881      -0.03463724
K       10.16479995      10.08770003       4.10195994       0.19248182      -0.93022008       0.22201638
K       11.83159999       5.25259005       2.94025003      -0.61396679      -0.97401056       1.95696299
K        5.80448998      11.64580006       4.31000004       1.26964983      -0.48093677      -1.70487811
Li       6.50683995       1.66747996       3.45225000       0.04066527      -0.54969445       0.21964401
Li       1.67883998       1.76624002      10.07779999      -0.27561909      -0.00100183      -0.62385562
Li       9.20537000       2.16095003       6.33560998       0.55977746       0.02507919       0.08785051
Li       1.55580996      11.96079995       4.40091006       0.31006454      -1.19303551      -0.31546872
Li      10.95789994       7.22609996      12.13179996      -0.24016618       0.12341623      -0.23163981
Li      12.78130001       1.64457995       6.40199002       0.08581976       0.16673905      -0.88341123
Li       7.00113998       9.49844998       7.04217006      -0.53947238      -0.40097016       0.41389809
Li       7.94534998       0.02541301      10.86070001       1.91224408       0.97659676      -2.42973319
Li       4.31693994       2.61624004       0.64972004       0.70216472      -2.88749490       1.96771316
Li       9.10629006      12.08419999       8.46532994      -0.41696842       0.51448418      -0.49393782
Li      10.01700001       8.86984995       8.58588994      -0.09650214      -0.00097851       0.69488136
Li      10.96429997       3.29136004      10.96120004       0.29574608       0.25277406      -0.37788443
Li       1.82089002       8.63140999       4.63084001       0.57653774      -1.50595157       2.43495019
Li      12.68935297       1.34735994       0.89579403      -0.12582307       0.06445612      -0.01514650
66
Lattice="12.79008693 0.0 0.0 0.0 12.79008693 0.0 0.0 0.0 12.79008693" Properties=species:S:1:pos:R:3:forces:R:3 energy=-567.17291975 stress="-0.019914857572986003 0.004644738771861625 0.003729072239873743 0.004644738771861625 -0.017073030335657737 0.004511612643798728 0.003729072239873743 0.004511612643798728 -0.014816024108594958" free_energy=-567.17291975 pbc="T T T" config_type=melt 
Cl       3.57275999       5.50112996       1.84541999       1.46440347       0.14583544       0.74944851
Cl      10.65050005       8.53359000       9.27644004      -0.44855638       0.12937931      -2.64655363
Cl       5.10252998       7.87258999      10.10729994       0.96549884      -0.42609466      -0.17350589
Cl       1.98981995       8.84581994       2.52150003      -0.06677646      -0.40387428       0.03147092
Cl       5.96104000      12.34940001       9.60375998       0.02258405       0.80290479       0.56231016
Cl      11.67159997      11.61570000      12.45979995       0.73954047      -0.20342351       0.55789365
Cl      10.00289996       5.63599005       4.46788995       5.74593641      -4.89763286       0.69912029
Cl       2.23556996       3.19096003      10.95799996       0.56242055       1.78389728      -0.42209381
Cl       9.90104994       4.82924994       8.45749000       1.04334294       0.58978154      -0.14665904
Cl       1.68167005       1.05027999       5.29102004      -0.52505688       0.56831106      -1.23676962
Cl       4.79581998       3.63825994       7.56922000      -0.67877984      -0.16832045       0.26544550
Cl       6.28629000       1.63437998       4.57889000       0.12296285       0.04563039      -0.46532582
Cl       7.54701002       4.17663998      11.81499999      -0.18023472      -0.67882042       0.84270908
Cl       2.31112995       9.22283000       9.30739000      -0.85492101       3.18355555      -0.61074406
Cl       7.83664998       2.60306996       8.69940005      -0.91029540       1.55749524      -1.19327230
Cl       2.53768997       1.02446998       0.86444706       0.85457421      -0.96568257       0.23700168
Cl       5.36300994      10.98639997       3.68718995      -0.76655312      -0.84340289      -0.26113862
Cl       1.60851996       6.93667001      12.24490001      -0.95033796       2.88376183      -1.57685704
Cl       0.68645906       4.65157006       2.94002006      -0.56103789      -0.65197861      -0.40847752
Cl      10.35249998       2.47203999       0.42810506      -0.16390811      -0.17241444       0.25741142
Cl       7.62974998       0.11086000       0.57612397      -1.45125425      -0.28369544       0.97076057
Cl       5.34197997      10.35939998       6.97509002       1.30256928      -1.32530407      -2.57997145
Cl       0.30966003       1.82859003       8.02312995      -0.58051523       0.24620263       0.48434417
Cl       8.81400997      11.94229998       6.16460997       0.70094633       0.24529499      -0.56633283
Cl      11.08199998       5.90756005      12.02130000      -0.18226343      -0.56240206       0.41997608
Cl       9.87069996      12.43719999       9.89209995      -1.06480263       0.91126572       0.55432048
Cl       6.53102000       6.06291995       3.37608004      -0.20247661       0.10950981       0.10485172
Cl       9.28608005       8.50433996       2.23603002      -0.13365285      -0.07701759       0.37169860
Cl       3.00040999       7.46354997       6.63422999      -0.08461682      -2.12393118       0.76453378
Cl      12.09810000       7.39148000       6.40791004       1.88968721       0.42305119      -1.09012608
Cl       7.64816003       7.31408002       6.45471996       0.09297951       0.19504439       0.39783546
Cl       2.66292002      12.41489996       8.99462006      -0.88533387      -0.55781157       0.16942175
Cl       0.19376496      10.95340001       5.78571004       0.81475186      -0.48489308      -0.64357509
K        5.15069002       5.08474996      12.27159996      -1.19423174       0.40499097      -0.33896137
K        8.02570997       3.99451004       2.20283002       0.56209467      -0.70205089      -0.21660350
K        3.99781998       3.11241995       3.48111006      -0.17631174      -0.39403359       0.10441871
K       11.85960005       7.03401996       2.14489003      -0.27035276       0.00804368      -0.21628294
K        8.11952001      10.60590000       8.40726001      -0.20571837      -0.70327513       0.61237354
K        2.42311996       6.82273003       9.47080996       0.38388458      -3.84355988       0.49560938
K        7.15348999       4.30302995       6.08303006       0.13441545      -0.27224335      -0.11215649
K        5.63645996       8.64709997       1.72419005       0.25694930      -0.01727516       0.21790727
K        0.80407503      11.65340006       2.58230998      -0.19519926       0.30973983       0.05629461
K        0.64038801       3.70377998       5.60700004      -0.20087983       0.14009578       0.75915839
K        3.93491002      12.68790002       5.84308995       1.74817446      -0.16378139       0.05409524
K        7.48245998       5.42356998       9.44148997      -0.73272453       0.80159645      -0.58038036
K       10.27279996       2.33999999       7.48170997       0.32146012      -1.04817290      -0.39149364
K       10.91700006       8.69526002      11.75230004       0.03186214       0.66680983       2.16988007
K       11.55189997      11.53669998       7.95317995      -0.65695720      -0.22120125       0.82221625
K       10.06369994       9.22777005       5.38507003      -0.17525019       0.42820319      -0.34282947
K        3.41112002       9.42595999       5.13022998      -0.27420893       1.28952567      -1.40136215
K        0.49506999       2.60703002       0.19598902      -1.51947030       0.36241871       0.24731094
K        1.92866005      10.33070004      11.87149994      -0.28415613       0.12688186       0.41605811
Li       9.39630003       0.41016901      12.42609999       1.61986777      -0.05848897      -0.51553693
Li      10.67100000       6.53425998       7.46325004      -1.26493621      -0.14955627       1.14315788
Li       6.70540004      12.39209997       3.09840994       1.02849576       1.26545569      -0.44642294
Li       7.83847000       1.01953006       9.72997000       0.18988772      -2.39382597       1.39805836
Li       2.85836994       1.30867006      10.69489994      -0.60791223      -1.12376667       1.00392620
Li       1.05922000       8.18209999       7.61308002      -0.24118040       0.64162754      -0.42449551
Li       9.57071001       4.20413994      12.10559998       1.52618682       0.20988227      -0.19997550
Li       1.02081994      12.73241988       7.23977998       0.43356572       0.19034272      -0.61406589
Li       2.15289995       5.47341999       0.42472899      -0.29513479      -2.60795320       0.74085264
Li       4.80911003      10.79479999       8.68862005      -1.65691669       0.18689197       3.19711471
Li       1.98812999       6.24083006       3.20736997       0.61306147       1.25935513       0.14492684
Li       5.72314004       7.74567997       7.60650003      -0.57234058       0.40487311       0.06396402
Li       4.16201004       0.94757994       8.98802997       2.25768410       1.33379371      -1.06485757
Li       8.66977002       6.65243002       4.28533999      -6.21453275       4.67443509      -1.20104995
66
Lattice="12.79008693 0.0 0.0 0.0 12.79008693 0.0 0.0 0.0 12.79008693" Properties=species:S:1:pos:R:3:forces:R:3 energy=-567.61849409 stress="-0.0067960767612269485 -0.002021631278318551 -0.003289028882077169 -0.002021631278318551 -0.008871510703297364 0.0015148763803506876 -0.003289028882077169 0.0015148763803506876 -0.023969704632704127" free_energy=-567.61849409 pbc="T T T" config_type=melt 
Cl      12.03060006       6.67545998       2.83501000       1.32295389      -1.24330625       1.84088623
Cl       3.97162000       6.43795996       5.97429002       1.35707117       0.80936802       0.81389423
Cl       7.26488999      10.10179995       7.17191002      -0.49304498       0.29058872       0.22077441
Cl       3.85785000       1.42361994       2.99992998       0.19625988      -0.02858255      -0.66990960
Cl       2.49059994      12.70590002      11.68860004      -0.20091250       0.56816860      -0.61184140
Cl       8.34966995       5.77597998       5.87066001      -1.89730814       1.53968100      -1.01377607
Cl       3.64100994      10.05489998       4.02805997       0.45769442      -0.08755652       0.21325316
Cl       6.15371000       5.52533994      10.95309995      -0.92680166      -0.58583003       0.97933678
Cl      12.31780005       0.20479999       9.67289001       0.17902264       0.29246193       0.94872840
Cl       1.50736994       3.32059997      10.06589997       0.51119116       2.75221208      -0.18236964
Cl       8.73834995      10.53890002      10.64350004      -0.40928995       0.11028878       0.73643777
Cl       6.48869005      10.93430006       0.52822701      -1.05007043      -1.28970585      -1.56078324
Cl       7.67106005       0.97772195       4.48157995       0.94481640       0.93910880       0.06420346
Cl      11.27400003       6.61257995       6.48445999       1.30324632      -0.46937784       0.71652611
Cl       6.04224004       7.79918001       2.71040002       1.55279731      -1.29714802       2.07613936
Cl       8.45991002       1.18878998       0.35942498       0.73413476      -0.14199046       0.65284191
Cl       8.58378994       5.50468996       1.12632000       0.33277381      -0.18883598       0.05734316
Cl       8.21115996       2.31504001       8.35272998      -0.68757838      -0.74278624       1.13043544
Cl       1.23996005      12.26279999       5.33360003      -1.01215212      -0.51373650      -0.44126534
Cl       3.99704004       8.78879994      12.50940003      -1.01950729       0.07911849      -1.39580383
Cl       0.27405997       8.56005998      11.38320001      -1.06002342       0.64545622      -0.04061683
Cl       4.73777997       3.03010998       5.82500003       0.30385750       0.30579072       0.91560311
Cl      10.70329996      12.14649999       7.28965006       0.38533745      -1.33505619       2.39886117
Cl      11.34489996       1.13176000       3.79000998      -0.09387434       1.46296988       0.68141939
Cl       6.08869006       1.35335005      11.08729994      -0.21037042      -0.82139977       0.49136328
Cl      10.12179994      11.02500006       4.36822000      -1.55703723      -1.52164447       0.45898502
Cl      10.05889995       5.98490004      10.27899995      -0.00784167      -0.20706786       0.12252537
Cl       0.49351906       1.50303998       1.18219004      -0.27444554       1.40705763      -2.77925433
Cl       0.57351095      10.64669999       1.84111997      -0.49306761       0.46466442       0.66852605
Cl       2.95746996       9.15159996       8.08744005       1.09178784       1.69585075      -0.82721478
Cl       2.05157995       1.21443999       7.73990000       1.08339768       0.64743738       1.56888102
Cl       3.14202005       5.79203998       2.80433003       0.40363647      -0.91097813      -0.15563412
Cl       1.26557002       3.09935001       4.35367998       0.07052673       0.47545814       0.65787787
K       11.74969995      12.52779998      12.67929996      -0.44072858      -1.03670543      -0.74215798
K        4.50899998      11.21810006      10.38060006      -0.10771179      -0.45949020      -0.05854580
K        7.32873004       5.87406997       8.59599002       0.69177011      -0.00564691      -0.58697633
K       10.35710006       3.67823996       2.77167003       0.24848359       0.49466676       0.16654996
K        1.32843995       7.91412004       1.02236997       0.76357297      -0.34373624       0.79975429
K        7.00641000       8.09307996      11.97679996       0.46778902      -0.26363456      -0.12838736
K        5.97050006       0.55505204       6.53688003      -0.16561275      -0.37968491       0.30596356
K       12.03880004       3.40374001       7.93407002       0.21694145       0.09344733       0.23930059
K        9.41012996       8.49870005       5.70121003      -0.11781313       0.14165596      -0.32851829
K        3.33868004      11.85610004       1.34847997       0.17009370      -0.59704612       0.45264973
K       11.04649994       9.91159997       9.07668996       0.64507836      -0.51897780       0.21352470
K        9.10150004       3.40746001       6.20634006       0.85025867      -1.16481221      -1.20874926
K       10.19659995       3.24179999      12.04290003      -0.11389291       0.65717159      -0.67524794
K        7.08354996      11.64370006       2.85458996       0.59192820       0.10865844       1.95392343
K        1.54713995       7.39895005       9.32609000      -0.50255655      -1.68249125       0.12274241
K        4.73389000       2.45323997       9.09774999      -0.72299088       0.99708886      -0.77268986
K        6.53765997       3.56630995       0.90254105       0.03705863      -0.20142490      -0.43713789
K        3.12427994       3.35329003       0.59286504      -0.59421968      -0.06478974      -0.13396294
K       10.77039995       7.57302006       0.95083399      -1.52044651       1.04046365      -2.33703742
Li       8.17681999      11.42690002       8.79603005       0.28150688       0.31296276      -0.81254817
Li       2.26110997       5.68162994       5.14493998      -1.03491649      -0.57160235      -1.14942781
Li      11.29260002      12.00330000       3.18483000       1.40350012      -0.43126800      -1.33520758
Li       1.03669998       1.32367001       2.98112996       0.65386933      -0.12832598       2.84122050
Li      10.12199997       0.24956606       5.75868996      -1.14936505       0.87821202      -3.12243918
Li       5.79262999       6.14119004       4.41678998      -0.00781890       0.37525347       0.12563825
Li       4.41683999       8.87773005       6.22846000      -0.42133970      -0.02816471      -0.19232366
Li       5.26917995       8.70050997       1.23541995      -0.51969412       1.38851739      -0.24815946
Li       1.53226994      10.66329999       4.18460999       0.09578775      -1.42167239      -1.23752152
Li       1.17245998      12.11610000       7.49198003      -0.63413183      -0.51307514       0.72619449
Li       7.19816999      12.39800004      11.98820002       0.76627759       0.72845226      -0.30142730
Li       4.17864994       3.45659006       3.85764997      -0.93561775       0.18759150      -0.20505708
Li       1.13558002       1.56829002      10.76199994      -0.37610264      -2.61266382       0.48413137
Li       1.90335998       1.30666994       5.74320999       0.64386311       1.92039172      -1.15444398
66
Lattice="12.79008693 0.0 0.0 0.0 12.79008693 0.0 0.0 0.0 12.79008693" Properties=species:S:1:pos:R:3:forces:R:3 energy=-567.81566278 stress="-0.009615489771850253 -0.0004039445599180223 -0.001972634776321909 -0.0004039445599180223 -0.01923455499220327 0.005267991637392391 -0.001972634776321909 0.005267991637392391 -0.008801046905152795" free_energy=-567.81566278 pbc="T T T" config_type=melt 
Cl       7.12142000       9.83895996       9.42116000      -2.00102108      -2.08033385       1.09538451
Cl       1.25022000       5.87790994       1.03204004      -2.24313543      -2.33586739      -1.83159664
Cl      10.09919998       2.94989005       0.17996995      -0.09471545       0.34590832       0.34626912
Cl       5.30100002       7.04576996      11.07839996      -0.40284072       0.46531432      -0.58578237
Cl       1.97886997       7.13263998      10.04190001      -0.75003836       0.93242030       0.78661768
Cl       8.48323005      10.58450001       1.48765006       0.41589265      -0.15959364       0.75978199
Cl       0.02398794       8.30486999      12.71989954      -0.29970335       2.03439376       0.40774348
Cl       9.39969005      11.92040003       4.84874997       0.36828647       0.57995934       0.79482259
Cl      10.88080002       3.13801995       4.84615997      -1.50080154       0.56504412      -1.39802749
Cl       6.42135996       3.88722001      11.80389999      -0.01191590       0.47318822      -0.76376186
Cl       3.30372997       8.77844994       7.55349996      -0.05278079      -1.57808760       0.14765286
Cl       2.22919001       2.64115001      11.99129996       0.01123617      -0.62611698       0.38246033
Cl       4.59516999       1.72371004       3.72345996      -0.64267041      -0.95115326      -0.78676666
Cl       5.40951994       0.61207396       6.58226003       0.60580317       0.71086089       0.81349662
Cl       0.98502100       4.07495994       9.00921995       0.07086831      -0.22597510      -0.27961642
Cl       9.59922998       1.90076999       9.23768006      -0.30139776       0.48091106      -0.72319219
Cl       7.53284001       7.01413995       2.38967004       0.79391602       0.06547213       0.18399547
Cl      10.88109995       5.92879005      11.13169996      -1.61971721      -0.65387328      -0.39031358
Cl       3.86726005      10.58550006      11.19759999      -0.30823639      -0.22622302      -0.92145498
Cl       4.16009997       4.61473000       6.73818001      -0.00057520       1.67456844       0.58765069
Cl       1.85954000       4.22012998       3.41359004       0.25953775      -0.50426850       1.18978271
Cl       6.67856004       3.97451005       4.81636994       0.51268618       0.33441430      -0.38585448
Cl       4.01478002      10.91350005       1.59603005      -0.30678900      -1.73559649       0.85789853
Cl      11.77520006      10.02169998       8.15352003      -1.19729866       1.29015186       1.18797397
Cl       7.23895003       9.48189002       5.81681003      -0.93823545      -0.20531894       0.39857170
Cl       6.89095005       0.91673997       0.52049297      -0.06260471      -0.23918892      -0.38931975
Cl       4.25665003       6.94449000       1.70937005      -0.43679970       0.43822090      -0.07220698
Cl       1.43350003       0.38071305       6.95359999       1.41285339      -0.57332067       0.50473803
Cl      10.48920004       8.16297996       5.11346000       0.92380442      -0.51627621       0.07564951
Cl       1.12589997       8.29428005       4.24070002       0.07616965       0.23701800       0.15184668
Cl      10.18750006      12.72649999      11.69789997       2.55883866      -3.11604943       0.41628390
Cl       0.02749856       0.80324598       2.02853004       0.02820697       0.07434192      -0.41208829
Cl      10.53099997       5.57840997       7.52908995      -0.88488484       1.22233702      -1.10931855
K        8.26687998       2.19087999       6.03868005       0.31981960      -0.86045597       0.49399111
K       12.50260005       5.13347994       5.61202999       1.46241373       0.59910566       0.11952402
K        6.64286994      10.79630001      12.18709994      -0.15951736       0.04751988       0.30831059
K        9.75080006       0.53537500       2.42521996      -0.25149710       0.54471477      -0.86158932
K       12.45350006       1.75659003      10.78110001      -0.07380152       0.32201933       0.03666246
K        6.79127000       4.35006000       1.71431994      -0.20519555      -0.44714471       0.21195330
K        1.34458999      12.40239995       4.15033000       0.66546144      -0.35746896      -0.08338731
K        5.76093999      11.43450002       3.62137997       1.01775224       0.61000723       0.31885168
K        3.78767003      11.24430005       7.21755004       0.10334392       1.54706123       0.07547760
K        7.56945994       6.89781999       9.39492996       0.64475954      -0.26581106       0.00598330
K        5.35727001       2.12522003      10.01150002      -0.26635372      -0.39668152      -0.09327079
K       11.88220000       1.23813004       6.23465002      -0.81804293      -0.74642418       0.82800395
K        8.58728994      11.46070000       8.39676996       2.08294007       2.04085522      -1.57943205
K        3.33928002       5.16364996      12.39689996       1.04379990      -0.14717994      -0.43003957
K        5.19156996       7.98960995       4.24479004      -0.21711679      -0.29073496      -0.09007607
K        8.48801994       5.92432005       4.92943994       0.88767073       0.80947427       0.26601204
K       11.31340003      10.64039998       0.77871997      -0.01049748       0.29916475      -0.17070445
K        3.61240005       0.48029705       0.66564997       0.11964407       1.29248315      -0.44157426
K       11.84269999       7.24487005       2.50802004      -0.74932600      -0.06282950       0.04890666
Li       3.67080995       8.38796002      12.26090002       0.11163616       0.17284443       0.11820169
Li       3.99357994       2.65915001       6.67016003      -0.37510171      -2.42407662      -0.10548397
Li      12.67504099       6.86258995      11.25100000       1.51084385      -0.30334946      -0.55459282
Li      10.14160002       5.15810994       0.30884901      -0.08249967      -0.39829668      -0.43540523
Li       3.24842999       5.62285002       9.30115995      -0.23767020      -0.49197261      -0.83443783
Li       1.73348998       7.22638006       2.25575003       2.01636435       1.81113391       1.74602093
Li       8.80839000       1.15138000      11.44770003      -2.27971754       2.70070386       0.23252689
Li       4.68420000       3.64745998       4.53320995      -1.31804428       0.72559693      -0.30138969
Li      12.20150005       9.00869006       6.54578001       0.31258394      -1.39709962      -2.20175939
Li       1.36269001       2.87074000       1.73793006      -0.28576893       0.08281448      -0.27783892
Li       0.69655696       9.75648001       9.23959001       1.38881384      -0.61612908       0.76356381
Li       9.12244995       9.72274002       4.88543002      -0.24483943       0.56171424      -0.56424292
Li      10.36969996       4.44379995       9.10911002       0.30024627      -1.28480332       1.84778347
Li       4.93060000       8.85671006       9.28681996      -0.39504132       0.12596319       0.56413098
66
Lattice="12.79008693 0.0 0.0 0.0 12.79008693 0.0 0.0 0.0 12.79008693" Properties=species:S:1:pos:R:3:forces:R:3 energy=-568.1122499 stress="-0.009062754568687811 -0.005046939953450605 0.0036547419766219075 -0.005046939953450605 -0.015479706461835798 -0.0031636766847022513 0.0036547419766219075 -0.0031636766847022513 -0.010439371959908204" free_energy=-568.1122499 pbc="T T T" config_type=melt 
Cl       6.28187997       2.92317002       4.40486002       1.40661006       0.68636008       0.60262915
Cl       1.68212000       7.38203004       5.28248995      -0.26874789      -0.58130105       0.15065714
Cl      10.53900004       0.79923897       4.88990002       0.17862684      -0.58552849      -0.43008447
Cl       5.45981005       6.25864998       7.22787995       0.33762122      -0.05992621       0.27719934
Cl       0.71092598      10.15630005       1.11860003       0.97395821       9.14247581       2.34128419
Cl       4.45132999       0.83587004       1.69245004      -0.74534104      -1.99135321       2.90038089
Cl       0.42746594       0.91003297      10.83259994       0.08415628      -1.64793723      -1.30179948
Cl      11.26399998       8.67917994       9.26201998      -0.40708680      -0.66695825      -0.54659987
Cl       1.72453001       3.25926997       5.56394004       0.16934540      -0.98609593       1.17057199
Cl       1.73260005       9.84794000      11.04809998       0.37103240       1.68475079      -0.62861419
Cl       7.77669005      12.00630004       2.93634995      -0.28429902      -0.25128870       0.00415056
Cl       0.86939299       4.20704994       2.75399004       0.34508073       0.67907069      -0.78752657
Cl       4.33013995       7.72351002      11.63499998       0.16406460      -0.78532265      -0.53346622
Cl       7.26483000       9.07866999      10.61049995       0.49409009      -0.24736090      -0.95547559
Cl       9.95659000      12.11080004       0.22867294       1.90364335       1.99350558      -0.63744277
Cl       6.59871997       6.40351997       2.66711005       0.65470251      -0.28850870      -0.16199652
Cl       0.64718300       6.83599003      12.42070001      -0.70395279      -1.14764775       1.01987895
Cl      10.18750006       4.55018994       0.17107202       0.60064663       0.41944035       1.40854443
Cl       5.21443006       0.40424400      10.71859997      -0.28332391      -0.75733715      -0.14959651
Cl       2.62543995       3.65295000      11.26030006       1.19167069       0.19612610      -0.23230234
Cl       1.52431003       0.33892899       3.74947998      -0.00910504      -0.21055849      -0.61037892
Cl       3.89412998       9.27430998       2.59007996       0.16164390       0.32643227      -0.01113892
Cl       6.06509005      12.73269998       6.87101005      -0.83594522      -0.16840896      -0.57420884
Cl       1.86564995       7.65609999       8.66001003      -0.54994555       0.02123179      -0.20672162
Cl       6.59664005       9.30789994       5.90152005      -0.22123695      -0.21984246      -0.68692270
Cl       0.27362498      12.45769994       6.98302000       0.55602865      -0.02535351       0.58615046
Cl       7.11276994       2.42816999      12.30639999       0.27835959       0.45504463      -0.00633179
Cl      11.84529996       4.29496005       8.61807006      -0.41159745       0.07135167       0.10057153
Cl       8.57169000      12.73109994       9.24741997       2.68763448       0.70206714       0.83577877
Cl       8.22722994       3.39717998       7.51823002      -1.55740020       1.15855113       0.54257035
Cl      10.14860003       8.26179003       0.43366504      -0.02555891       0.09397207       0.28081361
Cl      10.43040005       4.85022006       3.80545004      -0.38829933       1.14981064       0.28592043
Cl      11.22560004       9.43677004       5.72374002      -0.17200835      -0.06596112      -0.18666696
K       10.55599998      10.39199999       2.80153003       0.41634676       0.23575445      -0.05035598
K       10.40320001       2.03763006       7.25572001       1.31410140      -0.64353395       0.78218747
K        7.96831996      10.65969996       0.36943795      -2.11643659      -1.71436754       0.11472681
K       11.39220001       2.42583005       2.87203998      -0.20502559      -0.38601298      -0.79718155
K        3.10215002      12.61180002       8.72976998      -0.48419147      -0.32380876       0.19596355
K        4.73570005       5.25744005       0.11071406      -0.25591166      -0.25548920       0.54812826
K        6.82683002       5.90768999      10.11489994      -0.61329760       0.41001067      -0.19293926
K        8.09170004       6.13285001       5.49746995      -0.29695256      -0.31502957      -0.14774864
K        9.26427001       3.75373997      10.64109998       0.15977455      -0.47151759      -1.30863344
K       11.98750002       6.74407995       6.78124001      -0.00493922      -0.18499400       0.34566243
K        8.60886004      11.30959996       5.56196000       0.55956053       0.33488218       0.36206012
K       11.73480001      10.78099999      10.94100002       0.39337436       0.93827857       0.51217875
K        4.25405006       7.09657999       4.42594000       1.22258879       0.30836646      -0.55969423
K        1.61593002       3.02724999       8.41040995      -0.09655543       0.01036435       0.85412756
K        4.24354006      10.31940000      12.63060005      -0.04449574       0.01660460       0.00315240
K        2.02898000      12.74740001       0.66404494      -0.87955421      -0.40825110      -0.19274293
K        4.86787997      11.72149998       3.98946997       0.19441252      -0.61417384       0.02223889
K        3.96317995       1.93963996       4.01689998      -1.78655799       0.35439662       0.77904850
K        0.38938000       2.80648004      12.49540000      -0.75889991       1.82475221       1.39228574
Li       1.86793004       5.11103001       4.76084997      -0.63426290       1.07984804      -0.82446865
Li       4.98673006       1.44443005       0.10648400       2.02694281       1.71663684      -4.77678958
Li       6.77718005      12.25309999       8.79942006      -2.10912603      -0.24530714       0.62498623
Li      12.24700001       5.88565996       1.75116997      -0.04854245      -0.43384123      -0.38560606
Li       6.77412003       9.05634004       7.92804998      -0.02097169      -0.36377441       1.30377968
Li       0.28316101       9.84051996       7.16054999      -0.34000737       0.28084456      -0.00796538
Li       0.41035203       8.57772999       0.85868295      -1.58645770      -8.42221329      -1.64220376
Li       3.39981000       6.87496999       7.50016005      -0.14701926       0.05888658      -0.16888256
Li       6.65156004       2.02300997       6.46279997       0.42590451       0.71035188      -0.29560497
Li       8.88212997       5.59332999       2.24898996      -0.22462721      -0.15832119      -0.40050549
Li       1.83172002       7.75855997      10.93500006       0.79947741      -0.32493896      -0.44046661
Li       9.93381994       8.21638996      10.98390002      -0.14487632       0.04692905       0.03926238
Li       8.64569997       0.79435598      11.48840001      -0.20767308      -0.45507214       0.27970063
Li       0.36471598       1.36335996       5.30974000      -0.20116885      -0.69976020       0.17247219
66
Lattice="12.79008693 0.0 0.0 0.0 12.79008693 0.0 0.0 0.0 12.79008693" Properties=species:S:1:pos:R:3:forces:R:3 energy=-567.78776798 stress="-0.0151433705841278 0.0013285238982810653 -0.004047227057128207 0.0013285238982810653 -0.008836009186634613 -0.0012541962252555173 -0.004047227057128207 -0.0012541962252555173 -0.016277620214541582" free_energy=-567.78776798 pbc="T T T" config_type=melt 
Cl       7.41988998       9.88840004       6.63560006      -0.14531510       0.38122345      -0.52208785
Cl       6.73967006       4.83408997       1.81033001       1.23705017      -0.51720813       0.89063066
Cl      12.62529996       7.45372002       8.08826002      -1.82556450      -0.55360198      -1.48026797
Cl       5.78100994       1.22359001      12.34009995       0.84583994       0.47472230       0.90929770
Cl       5.06538999       6.03762999      11.89770005      -0.73841246      -0.67545064       0.47936008
Cl       8.81781003       7.61044002       2.31481005      -1.09448487      -0.15488832      -2.49106666
Cl       8.58235003       4.13275003      10.43650003      -0.06716039      -0.96174472       0.33191118
Cl       1.15575996       3.78730999       8.13920997      -0.20515737       0.49767131      -0.23896105
Cl       2.97075004       7.29170006       7.51491994       1.24624754      -0.15521435      -0.18977588
Cl      11.53000002       4.85930997       3.20459005      -0.16655244      -0.06624334       0.33043754
Cl       2.58924003      10.66350002       6.31891994       0.42698624      -0.64047866      -0.82808776
Cl       7.93752002       2.18672999       6.04128002      -0.34741434       0.44199858      -1.17197851
Cl      10.39739996       1.48661994       7.80867000      -2.57854461       1.46691226      -0.99182763
Cl       6.68109005       9.46525996       0.47114997      -1.44645248       0.20209601       0.47131651
Cl       2.91320999       2.09221994       1.09421995      -0.12163727       0.99414567      -0.18994462
Cl       4.09896002      11.57949996       8.83529996      -0.58840961       0.18264797       1.45724251
Cl       2.51207002      10.18419996       1.75288001       0.24370958      -0.06167951       0.24524394
Cl       3.53509996       5.65444998       3.30961994       0.37029453      -0.11367434       0.53609433
Cl       5.63714000       8.87210996       9.24143996       2.44968906      -0.71201631       2.59693779
Cl       8.41435006       7.00392003      11.34349996       0.90941928       0.70806288      -0.60546799
Cl       1.99745000       9.27899000      10.16240002       0.93547406       0.99081327      -0.09023987
Cl       6.34098002      11.64519995       3.54451001      -0.37436584       0.48959838      -0.33135227
Cl       8.64558000       6.21487002       7.16869996      -0.12959624      -0.66024278      -0.64470959
Cl      11.90110004      10.73529999       7.15584004      -1.45842400       1.07943377       1.60634114
Cl       1.10316994      12.72419995       9.39408006      -0.42004329       0.46881379      -0.41220536
Cl      10.00750005       0.05331266      10.93470000      -0.24828086       0.06264638      -0.40810429
Cl       6.03866995       1.22509004       8.65140998       0.74012007       0.61707280      -0.03998507
Cl      11.10220001       2.68161004       0.14805702      -0.21268135       2.13700866       0.06204906
Cl       9.13675003      12.24430003       1.30481998      -0.01607841       0.57242526       0.96392406
Cl       2.51627003       1.22263997       5.35199998      -0.29605958       0.51905997       0.33715916
Cl      12.60509994       8.42028006       0.52427206      -0.15951579      -0.09537152       0.10547450
Cl      10.32399996       9.61952005       3.80110998       1.33318913       1.36713228       0.55098164
Cl       0.07464039      12.47429994       1.51021995      -0.38306201       0.38104928       0.18004058
K        3.40082004       1.00689000      11.05530004      -0.86515816       0.18860380      -0.29534215
K       10.69569996       5.68457000       0.41954401      -0.30486222       0.44470921      -0.04051576
K        2.16770000       5.77530006       0.88765506      -0.73592623       0.32572853      -0.49262785
K        9.46404004       7.13604994       4.68452998       0.78505497      -0.63267197       1.43184322
K       12.76029997       9.79146000       5.00296004       1.61008189      -0.85330736      -1.10627254
K        0.92802696      11.06840003      11.68809995      -0.92495610       0.59786723       1.49456566
K        8.77449001       2.75255998       3.16872997       0.53219182      -0.13859317      -0.66252591
K        6.26546006      11.93430004      10.66649994       0.67608029      -1.10123312      -0.40906506
K        6.71130996       4.91615001       8.57685004      -1.03747337       0.00749703       0.71127597
K        8.92027999      10.26029995      12.20130001       1.46594179      -0.35863133      -0.76891930
K        8.81730994       8.42838002       8.73143000       0.06112545       0.61978075       0.51521535
K        4.38185002       8.31275994       4.80132995       0.02349746       0.40197098      -0.46781515
K        6.25334005       4.13719995       4.73686996      -0.60130387       0.43269881      -0.26407394
K        3.50712996       2.14831995       7.79104001      -0.64198277      -0.04731833       0.11274222
K        9.60709000      12.01359999       5.94406999      -0.53824005      -0.28590055      -0.38759940
K        3.39379994       0.21192202       3.05943995       0.00387019      -1.33503195      -0.14176029
K        4.11501005       8.72510006      11.95970000       0.31609227       0.19994615       0.25924513
K        0.49758004       2.46648999       3.39442000       0.12048752      -0.10280923      -0.25642883
K       10.48780004       4.40522006       8.48131001       1.20576914       0.15853300      -0.34740509
Li       4.80210004       4.65694995       1.12130001      -0.31559088      -0.09722460      -0.46252102
Li       8.21991005       1.39556002       7.99451994      -0.41069425       0.00519894       0.69126152
Li       4.38019997       8.92291001       7.85841998      -1.93533918       0.85764466      -1.41138079
Li      12.64085795      10.32599994       2.17928002       0.09539651      -0.36186372      -1.00724435
Li       1.32567998       7.68774996       9.35283996       0.48582282      -1.84835832      -0.20451626
Li       1.04734006      10.55020006       8.01064005       0.87718027       0.21689876       0.75627488
Li       7.46191002       7.27113999       0.38565604      -0.59014230      -0.05622317       0.78336660
Li       9.08029996       2.28474004      11.42470000       0.39662791      -0.50334105       0.30844791
Li       5.62223994       0.06811310       1.42493003       0.85882582      -0.54123163       0.19149475
Li       1.52209005       6.20184997       6.56065002      -1.15753146      -0.93347654       0.35334992
Li       4.82034996      11.83740004       6.97581995       0.40828202       0.00122807      -1.18237741
Li       8.53834996      10.12980001       2.84286004      -1.14224173       0.34949319      -0.80755816
Li      11.98869999       0.72807800       8.29861999       3.69681561      -1.86813350       1.37179204
Li      10.99990003       0.73240706       0.16638905      -0.13250798      -2.40916925       0.31669409
66
Lattice="12.79008693 0.0 0.0 0.0 12.79008693 0.0 0.0 0.0 12.79008693" Properties=species:S:1:pos:R:3:forces:R:3 energy=-568.82287554 stress="-0.0066323069080200135 -0.0017920372902248257 0.0023428927692913694 -0.0017920372902248257 -0.010867705728539364 0.004303097605155118 0.0023428927692913694 0.004303097605155118 -0.012246661750814134" free_energy=-568.82287554 pbc="T T T" config_type=melt 
Cl       2.12163996       8.40824996       5.56219994       0.08523562      -0.37779279       0.44884417
Cl       0.60236603      11.07229998       1.16752006      -0.10482997      -0.28255114       0.46421124
Cl      11.72559997       6.47813004       5.78188005      -0.96700360      -0.22526067       0.12248614
Cl       5.30560995       1.19790995       8.73670003       1.27680745       0.97030708      -0.11179741
Cl       4.73196995       6.25771003      10.64710006       0.00912524       0.27446865      -0.14807526
Cl       3.08890998       6.77525003       1.67401006      -0.09707454      -0.25172078       0.34162635
Cl       5.62141996      10.34100003      11.86700001      -0.06615383      -0.47805603       0.32316743
Cl       8.26417999       0.72397405      12.16110000      -0.73123880      -1.57827380       0.06328071
Cl       5.43553997       3.97923995       0.38357100       0.90909167       0.37833343      -0.05458206
Cl      12.76740000       5.03209995       1.68932005      -0.27989815      -1.20544101       0.62633667
Cl       4.75402006       9.87677999       3.39463999       0.47613303       0.00034631      -0.03450680
Cl      11.73119998       1.86051997       5.02976998      -2.66556294       0.56419715      -0.60872768
Cl       6.87193004       2.56838004       4.19511001      -0.43818208      -1.49051365       1.23682183
Cl       3.08571003       0.07302884      12.19670006       0.36371797       0.38941755       0.86127358
Cl       3.30823004       3.86512002       4.69244001       0.72647911       0.87953133       0.31554343
Cl       8.70173999      10.12360001       1.82686004       0.74695459      -0.04842302      -0.01041331
Cl      11.06650006      10.88059998       5.34290994       0.64428270      -0.13319017       0.27747982
Cl       9.52368994       3.16465006       8.09054996      -1.65489413      -0.33332375      -0.65990099
Cl      11.02389999       8.58753999       9.80390002       1.71509919       0.02183869      -0.59987133
Cl       3.00419995      12.11980004       9.24682996      -1.13712120       1.84865982      -4.28621383
Cl       7.14471996       7.27053003       6.93004999      -0.46505596      -0.88928136       0.82913120
Cl       8.48142000       7.09264998      11.37850003      -0.41893526      -1.66711021      -0.46930550
Cl       9.02076006       3.21479999       1.61870995       0.86309782       0.22807913      -0.08720364
Cl       8.02575000      12.08180005       5.06190994      -1.27474006       0.43542471      -1.49852339
Cl       1.62412003       4.55648996       8.52442999      -0.13467488      -2.22786747       2.61094137
Cl       2.05765000       9.07069000      11.18169999      -0.93099541      -0.29830844      -0.53676238
Cl      11.98449998       0.38144094       9.45746006       0.58864994       0.22157298      -0.73865322
Cl      11.56120003       4.59461004      10.64560004       0.05878471       0.28355451       0.16090676
Cl      11.73789994       1.38823002       0.03310087       0.23774558      -3.03655160      -1.17296979
Cl       3.18607000       0.45879602       4.62220005      -0.01825076       0.10191901       0.06231383
Cl       8.02046002      10.08640005       9.26616000      -0.40629563       0.41502836      -0.38572233
Cl       9.12507997       6.46822003       3.59188999      -0.57256808       0.30287199      -0.38486117
Cl       2.21194002       3.24578001      11.27550006       0.56612763      -0.23973455       0.94619296
K        9.65193000       0.30798401       2.44428000       0.21428375       0.06877616      -0.05713687
K        8.63408005       3.16328996      11.12829997       0.22467066       0.69735699       0.06648551
K        3.72846996       9.25803996       0.60826200      -0.58875376       0.32700077       0.71200144
K        7.38350999       7.76599997       0.93064599      -0.59337618      -0.07590699       0.96500459
K        1.42296995       5.56873005       6.42032998       0.50042144       1.81902769      -3.98669700
K       12.61979997       7.27879000       0.21811306       0.27349677       0.26478044      -0.66202173
K        4.83155996       7.22333001       4.46041006      -0.37152763      -0.37211679       0.13343267
K       11.74040002      10.44200002      11.68800006       0.15713274       1.11440359       0.07932361
K        9.95998001       6.26661002       8.79127994      -0.34706708      -0.21769757      -0.77061137
K        1.11363006       2.47477004       3.86955997       1.14240259       0.43550373      -1.50621969
K        8.30228997       9.45169006       5.65208995       0.62899021      -0.61321516      -0.28370616
K        2.08874002      10.72259995       4.05208001      -0.50937854       0.23238610      -0.53144103
K        6.25858002       3.90975998       6.53091000      -0.27066588       0.14679999       0.56837574
K        5.22734997      12.12079997       6.65001999      -0.41639487      -0.22931221      -0.42464397
K        0.43360403       9.73094997       7.72011003      -0.09209133       0.07390222       0.09828454
K        3.85747001       2.39350003       1.85619002      -0.49715490      -0.52732268       0.54476011
K        6.49743003      11.91090006       2.36229005      -0.16913310       0.39273377      -0.22814382
K       11.45489995       8.80914999       3.23259995      -0.22698299      -0.12921814       0.41911490
K        8.81345002      12.78686370       7.40116005       1.03096377       0.65623384       1.68495954
Li       6.77964995       7.31824997       9.64013000      -0.60977086       0.14898549      -0.04899059
Li       6.79504998      11.49270003      10.71639995       1.10750626       1.03855329      -0.49216551
Li       4.46011000       1.67926999      10.67489996      -0.58429183      -0.02931995       0.61917147
Li       4.02674003       5.73814000       0.02661310       0.38218494      -0.41026541      -0.41154106
Li       1.89882001       5.35896994      10.51079994       0.27467530      -0.08637056       0.12711679
Li       9.18085000       8.79168999      10.60140006      -0.60456059       1.39484430      -0.14915046
Li       7.17537997       3.72769002       2.68094995       0.37040558       1.23120929      -1.93594854
Li       1.56529995       2.18361995       9.47093006      -0.25073002      -0.18525811       0.06706487
Li       0.81187302       0.27346805      12.40869997       0.29858863      -0.09462449       0.09377674
Li      10.37640005       4.77711000       4.33033999       0.22888512       0.34807090      -0.03086286
Li      12.74740001       1.17513004       6.51667003       0.71766287      -1.31270179       2.03271849
Li      11.64150003       3.00829994       0.91348297      -0.50825370       3.65637088       1.44250264
Li       3.16188996      11.03180004      10.68630002       0.48108499      -2.31122851       3.30888458
Li      11.33249997       3.83490996       8.56096999       1.70292065      -0.00453133       0.65383501
66
Lattice="12.79008693 0.0 0.0 0.0 12.79008693 0.0 0.0 0.0 12.79008693" Properties=species:S:1:pos:R:3:forces:R:3 energy=-566.02035565 stress="-0.009467472401654459 -0.005081797290197983 -0.004725866244521348 -0.005081797290197983 -0.01196859898656187 -0.0016042730848965837 -0.004725866244521348 -0.0016042730848965837 -0.014572301054013732" free_energy=-566.02035565 pbc="T T T" config_type=melt 
Cl       3.59118999      10.86920005       5.77123000       0.50949470       0.11587525      -1.12303040
Cl      10.76549994       9.26778000       6.42585005      -0.60561974       0.66861425      -1.47157222
Cl      10.06029996       5.23030998      10.49499997       1.77529949       1.40039405       3.77865517
Cl       7.52124004       3.32592001      11.78239998       0.46420030      -1.34800424      -0.49110464
Cl       1.80040004       9.85894997       1.38069999      -0.16354780      -0.27334549       0.14422056
Cl       4.22259003       5.61767004       2.39002995       0.27127156       0.73443285       0.74784478
Cl       2.99318001       9.84007001       9.33860996       0.25717598      -0.47973465       0.52276466
Cl       8.19142000      11.65870001      11.99149999       0.06769718      -0.59895072       0.84230175
Cl       4.47939003       3.12715003       0.81687996       0.84464950      -0.64529037      -2.14087275
Cl       0.76804894       4.38388006      10.77609998       0.06805259      -1.08758789       1.36793030
Cl       4.78620005       0.57716904       2.89871998       0.58370392       0.35996422       0.39753492
Cl       3.71736996       2.48315995       9.17368000       0.87108304       0.39939787      -1.12845021
Cl       8.33040003       2.74457001       5.94083000       0.42692845      -0.00886400       0.22042352
Cl       4.36768998      12.43740003      12.31319997       0.47222412       0.99441925       3.21922559
Cl       2.64167005       2.73287002       5.42615997       0.04128118       0.47094059       0.64179761
Cl       8.74755997       8.40764998       1.35325003       0.17659137      -0.43905680       0.27809188
Cl      12.17419999      12.28199996       4.27044005      -1.37508847      -0.25552477       0.14540074
Cl      10.12310005       1.63043002       9.38175003       0.61639410       0.92152703      -0.33947420
Cl       6.68073999       7.14815998       7.92794996       0.38490487       0.06242896       0.19917193
Cl       6.64721001       0.29541494       9.86201997      -0.46778748       0.29549137      -1.04836190
Cl       4.61672001       7.33543998       5.37218005      -0.50237694       0.46118677       0.73325194
Cl       5.35102000       7.60581999      12.01650001      -0.41815079       0.04199237       0.06066452
Cl      12.10050006       3.92667998       1.73650997       0.90410246       0.69364827       0.70301139
Cl       7.79185999      11.29740001       3.83159004       0.50567727       0.26506674       0.25119388
Cl       0.60828004       6.22372997       5.94546001      -0.20834397       0.05153097       0.29433131
Cl      12.67740000       7.72039000      10.10090004      -0.18006063      -1.14686385      -0.56830429
Cl       1.79646005       0.10918705       8.46492002      -0.43078589      -0.81010642      -0.06257835
Cl      10.13560006       2.10432998       0.72876598       0.44452878       0.54327442      -0.36961720
Cl      12.10440001      11.99510002      12.11690002      -2.76793280       0.64279841      -1.33836785
Cl       1.58220998       0.92952903       0.57551094      -0.14545445       0.56037779       0.48431982
Cl       9.43308995      10.04109999       9.42881998       1.70107355       0.50481925      -1.32936686
Cl       8.37018999       4.65492004       3.10573994       0.13421673      -0.48359328      -0.29668184
Cl       3.30553005       5.73465994       8.84315001      -1.02625050      -0.64811538      -0.31084100
K       10.15690003       1.79314000       3.68695999       0.03097285      -0.01350972       0.08710433
K        8.16685996       0.72631706       0.96104803      -2.51110277      -0.53460820       1.98938361
K        6.37031997      10.20629995       1.60526002      -0.35137290       0.13711670      -0.41019065
K        6.91564004       5.45044004       0.43945703      -0.06559099       1.03957895       0.90054497
K       10.57500004       5.11024994       5.24479002       0.06068092      -0.10412740      -0.47551943
K       11.59390006       6.29168997       0.03319296      -0.06112363       0.16807236      -0.18360281
K        2.52949997       8.84476002       4.12259994      -0.29899971      -0.35810369      -0.25216993
K        2.25995004       7.79756999      12.04939995       0.53523788      -0.28196698      -0.25053408
K        7.35957001       9.48417995       6.03103004      -0.09985542      -0.15690125       0.66304023
K        2.37253005       3.25396004       2.53418997      -0.79263631       0.08476148       0.03270135
K        6.74098999       6.80039995       3.75960001       0.13051759       0.10066331      -0.46767597
K        1.93672996       0.18009504       4.07676002       1.36828003       0.11623792      -0.18013625
K        9.14754998       4.72041001       8.42489997      -2.37324301      -1.32814291      -3.60028288
K        5.98353994       0.88748405       6.55137005      -0.18126891       0.21351437      -0.01654102
K        7.46838001       9.28186994      10.91999997      -1.04045994      -1.13545403       0.20491573
K        5.02254000       4.48405995      10.74730003       0.18506254       0.56772299       0.08786762
K       12.64119996      10.37510006      10.01070000       0.05041748       0.96319933      -0.68605355
K       11.13719995       9.49424000       3.57012996      -0.27483607       0.38067152      -0.51700834
K       10.54710000      12.32100000       7.46122997       0.03635969      -0.21530926      -0.28363678
Li       3.60482000      11.59549997      10.90209999      -1.69809411      -2.01677796      -3.50593837
Li       6.07907000       0.67245903      12.08250006       1.09904476       0.69564215      -1.00649082
Li       1.79124004       2.29974000       8.21027003       0.06240063      -0.01065472      -0.37116297
Li       5.67180997       3.16972005       2.66280005      -0.20726308      -0.21029239       0.21865263
Li       3.84868002       7.55944006       8.21788998       0.93057550       1.38693393      -0.40297777
Li       9.29618998       0.27473004      10.71299996      -0.50418804      -0.58449806       0.08699823
Li       3.37761997       5.58755002       5.80681995      -0.57153696      -0.67171688       0.19454050
Li       0.51996998       5.36464004       9.06109999       0.36350973       1.28510185      -0.85397859
Li       0.71400302      11.60950000       0.53475098       2.01828642      -0.03127052       1.72016437
Li      10.17529998       3.50303995      11.87009994      -0.53939344      -0.06775902      -0.68020973
Li       3.53685003      11.24840004       7.72716005      -0.68176807       0.64245442       1.29376544
Li      12.10040004       1.76750995       0.39971004       2.06717682      -0.40016030      -0.16305994
Li      11.39819996       8.12086003       7.89370003       0.63703427      -0.80809041       1.78531246
Li       3.53184002       1.91199994      11.07170000      -0.55197543      -0.81547041       2.02866586
66
Lattice="12.79008693 0.0 0.0 0.0 12.79008693 0.0 0.0 0.0 12.79008693" Properties=species:S:1:pos:R:3:forces:R:3 energy=-569.98782424 stress="-0.015080909736365566 -0.0022895815557265682 -0.00031125385524037727 -0.0022895815557265682 -0.010263061017448597 -1.986880197022533e-05 -0.00031125385524037727 -1.986880197022533e-05 -0.01573999096142597" free_energy=-569.98782424 pbc="T T T" config_type=melt 
Cl       5.62597004       4.45626006       8.72631000       1.80328143       1.38703811      -1.44956587
Cl       3.64432999       2.82115002       0.48521305       0.14726711       0.56634093       0.29251360
Cl       9.89838999       4.66679000       4.34746003       2.03952165       0.33731861      -1.40370173
Cl      10.09670003      11.13389998      10.03220001       0.63445843      -0.26985557       0.26425191
Cl       2.71936996       3.53889005       7.54478006       0.09382533      -0.03251776      -0.31138784
Cl       3.11482998      10.05600006       5.71442999       0.20520808      -0.41127168      -0.18914325
Cl       2.78129994       6.37947000       3.51088999      -0.89681246       0.92138567       1.27754349
Cl       4.63019002       9.06273994      12.34419994       0.64620408      -0.40353901      -0.45361294
Cl       1.79434995      10.32279999      11.47470003       0.16184413       0.73255229      -0.09141727
Cl       6.51997000       3.33610002       4.82532006      -0.91507660       0.27507544       0.64456180
Cl       3.63261005      11.69999997       8.52613005       0.32873970       0.58136904       0.39338459
Cl       8.69083005      11.94969994       2.18823999      -0.01922984      -0.15999010       0.28782433
Cl      10.75160006       0.52404401       5.39444005      -1.09569249      -0.77681701      -0.76056435
Cl       6.92262995       8.16463999       4.65019001      -1.27811150       0.58395252       0.38951710
Cl       7.06757003      10.52090002      10.31029998      -0.45127627      -0.34352039      -0.58232711
Cl       0.40076804      12.50959994       2.54172000       3.14881200      -1.04767250       1.20266389
Cl      12.69869997       1.45501999       7.43858001       0.38456318      -0.71335632       0.60061519
Cl       0.77336399       3.97465995       1.97826999      -0.64901480      -0.32942445       2.39182803
Cl      10.58880003       1.84805002       0.83439202      -0.69179477       0.40290185      -1.01251695
Cl      12.25509998       5.11464999       6.67355004      -0.29562215      -0.19796473       1.42573770
Cl       0.17752001       9.38424998       8.09231000       0.51073135      -2.22955416      -0.62554315
Cl       9.07259995       8.26300995       2.16572994      -0.76417540       3.08066692       2.78023258
Cl       7.20429004       0.72975900       8.40543000       0.26764320      -0.51885249      -1.02580765
Cl       9.56429002       3.02502004       9.54932000       0.72935999       0.81056880       0.47229880
Cl       1.50183004       5.47632001      11.25860000       0.10556072       0.28482193      -0.54472169
Cl      12.23079996       7.34958006       1.24605005      -0.08209729       0.08943979       0.12229584
Cl       7.49682005       5.24793996       0.15651306       0.36372512      -0.08322150       0.02250921
Cl       5.07684006      11.79949994       3.68438995       0.21154436       0.83232643       0.00802474
Cl       4.51944002       8.41306006       8.88066998       0.18779173      -1.33744113       0.12562335
Cl      10.17830002       6.49836997      11.23090000       0.22692296       0.97958637      -0.45124242
Cl      10.37119998       9.77940995       6.25959005      -0.55311153       1.15610654      -0.40308878
Cl       5.57301000       0.34072600      11.47979995       0.57354939       0.30778782      -0.19576485
Cl       8.54233995       6.14049004       7.22862996      -0.30886012      -0.57667165      -0.13676282
K        0.05900796      11.52880005       9.40045003       0.67628618       2.49207337       0.40356342
K        6.12221006      10.08690001       1.53957001       1.15310757       0.22331512       0.68930271
K        6.62575003       7.44244006      10.18559996       0.70795350      -0.57987318       0.71998575
K        1.98694000       6.30576994       8.23598002      -0.06941238       0.35270351       0.43988491
K        2.26329004       8.06407000       0.39132895      -0.85708670      -0.77841165       0.54443698
K        0.11891097       6.28747001       4.31821997      -0.00369889       0.51455417      -1.16032098
K        6.51610995       1.80695995       2.61264001       0.29612800      -0.97224476      -1.09704714
K        5.15360002       5.84657998       6.30790000      -0.00406823       0.41390886      -0.40560970
K       10.83710000       4.51097004       1.55346004      -0.25572546       0.81885161       0.04599173
K       11.98359994       9.29715000      11.41160001      -0.34339266      -0.81843895       0.55209012
K        0.64029695      11.88419999       5.31588998       0.00414023      -0.40517721       0.59973268
K        4.71476997       5.50790001       2.21367000       1.83007425      -0.92897006      -1.37869501
K        9.61814000       7.69221996       4.60011004       0.52509493      -1.23236261       1.08488396
K       12.68440001       2.52786002       4.51206998      -0.18305530      -0.03957078       0.00522765
K        8.63529997       0.54587695      11.17529996      -0.11475369      -0.03401568       0.54160455
K        4.67365994       2.99972994      10.46519996      -1.28223125      -1.25513338       1.75795929
K        4.74987006       1.33645997       6.28262998      -0.31030724      -0.16613926       0.21816767
K        3.46807006      12.78540000       0.30804195      -1.15469370      -0.64495195       0.67703888
K       10.07940003       8.13455003       8.46908000       0.43922762       0.15887516       0.74880587
Li       9.16010000       7.42543998       0.62561303       0.38412892      -2.84955346      -4.69120618
Li       0.47875495       3.39334001       7.85178998       0.39960912       0.28464220       0.11385552
Li      10.23419999       4.92514004       8.04890006       0.21558508      -0.43624611       0.03649550
Li       5.84038996      10.31719998       5.23347002      -0.62807521      -0.64256440      -0.24643490
Li       9.50200998       4.55691996      11.64790006      -0.86051249      -0.73166887      -0.26922976
Li      11.66689999       0.32555299       1.71711995      -2.84279113       0.51743785      -1.06962651
Li       4.40735000      10.26109997      10.36979998       0.04164813      -0.03673982       0.14798765
Li       8.01405002       2.57465998       8.20719005      -0.30042727       1.12620235      -0.33474819
Li       8.30657005       4.26394000       5.33006997      -1.00482096       0.22348721       1.29562665
Li       9.33866995      11.21940005       8.05432996      -0.16784585       0.33283646      -0.79834016
Li       1.36981997       4.13250996       0.14735702       1.07478218      -0.15278095      -1.63460265
Li       3.24367003       9.48295006       7.85760001      -1.49120525       1.56497419      -1.21954715
Li       9.64407996      10.86259998       4.14899996       0.00761671       0.84587203      -0.20112657
Li       5.70175002      12.45019996       9.30201996      -0.65095743      -1.06245962       0.81963593
66
Lattice="12.79008693 0.0 0.0 0.0 12.79008693 0.0 0.0 0.0 12.79008693" Properties=species:S:1:pos:R:3:forces:R:3 energy=-568.53890944 stress="-0.02151578162636487 -0.002349332671026328 0.0019165100589639064 -0.002349332671026328 -0.017116653772108272 -0.0001981672281807896 0.0019165100589639064 -0.0001981672281807896 -0.012106556229933474" free_energy=-568.53890944 pbc="T T T" config_type=melt 
Cl       9.98017006       5.98396994       0.36183105      -0.38591607      -0.44535957      -0.10053125
Cl       6.20759003       4.06980003       7.59471998       1.91795222       2.24842060       0.50149773
Cl       4.86318000       5.05093003       3.15515994       1.08152436       0.15557647      -1.53691005
Cl       8.63780004       2.50573995       5.67125002      -0.50327322       0.59707344      -1.63878205
Cl       5.63440996       7.94870994       9.27415995       0.35039002      -0.15346102      -0.66382132
Cl       1.37088999      10.59809996       4.82738003      -0.62252456       0.12588235      -1.74657634
Cl       9.05689001       9.64909994       9.87402999       0.62728153      -0.28270562      -0.21973691
Cl      11.26620000       9.31793006       2.12977995       1.15388034       0.94125389      -0.76917783
Cl       2.92567995       9.43371002      10.95760002      -0.82911064       1.17898462       0.03179139
Cl       3.90520006      11.93819999       0.79664399      -2.23570648       0.77333491      -0.55167202
Cl      11.37650005       3.02175997       2.87191004       0.09417755       0.22454270      -2.09236359
Cl      11.16149996       2.04984997      10.71849996       0.28827569       0.28452189       0.97665358
Cl       0.55183904       6.24838005       4.84390994      -0.84152373       1.09781052       0.06228841
Cl       7.77960005      12.78290005       8.75660000      -0.10816607       0.00117881      -0.28521069
Cl      12.74898381      11.77720004       8.83891994      -0.25282813      -0.16782610       0.06390763
Cl      10.76510000       0.29211497       5.16520997       1.11367407       0.76518800      -1.62453910
Cl       4.88833004       7.31879995       5.51189001       0.42452934       0.29994528       1.34513225
Cl       5.44998995       9.33730000       2.00415994      -0.29266172      -0.13725029       0.17426359
Cl      12.02340001       3.38472000       6.25588003       0.09632055      -2.47181847       0.89600310
Cl       4.54063997      12.52969995       6.75526002      -1.10597145      -0.75427338       1.67089506
Cl       1.87698005       8.06175001       1.14081001      -0.70921366      -0.85971780      -0.18339388
Cl       5.95371998       6.94562000      12.46959997      -0.25044592      -0.10076334       0.35803448
Cl       7.06499001       0.96476802       1.95519002       0.61090180       0.60595926       0.89338840
Cl       3.24912001       4.09487001       8.20585003      -0.53705834       0.14148630      -1.36541505
Cl       1.99577002       3.30891994      12.41750006      -1.84837000       0.03393101       0.62994273
Cl       2.68966000       1.60051004       3.88580005       1.60434905       1.47055056      -0.19956842
Cl       7.84725999       6.75343001       2.98449004       2.91988344       0.16925593       0.99500365
Cl       1.70847999       6.84279000       9.22446995      -0.64512669      -0.16087021       0.19910380
Cl       7.45317004      11.57939994      12.46559999       0.35819250      -0.27889698      -0.74045549
Cl       0.11979694      12.63719999       1.94066995       0.70408016       2.04278539      -1.57747957
Cl      10.54279997       6.96028000       7.28455999      -0.58844412      -0.49394055      -0.50236570
Cl       7.06610006      10.89660000       4.57575004       4.34164470      -0.84570736       0.49884214
Cl       4.67419994       2.20984001      11.03339995       0.77773471       0.92432018       0.48294133
K        9.93433001      11.20869999       6.58281998      -0.74563437      -1.45772974       1.60043366
K        3.48333004       0.36794100       9.46901999      -0.40723167      -0.80235860      -0.26969745
K        8.26304999       6.98463002      10.93140003       0.18333191       0.05265745      -0.53588753
K       10.79529995       7.05064004       3.25963999      -0.02705868      -1.87955420       0.87749040
K        2.62870999       4.69610002       4.42118005      -0.20633322      -1.62084910       0.81082255
K       10.78489995      12.01569999      12.07709995       0.00783877      -0.07603914      -0.48628638
K        9.76605006       2.04556004       8.03715006       0.64038333      -0.09059461       0.87476952
K        2.19846003      10.83740006       7.24741003       0.54646346      -0.22509891       1.41778775
K        6.03595001       1.85253000       6.50898997       0.26334364      -1.31777295      -1.21049449
K       12.19539994       8.59682994       8.67930004       0.33732761       0.81221606       0.35804690
K        7.12722005       5.47622997       5.34035998       0.09976570      -0.53797439      -0.05989493
K       12.36499995       6.95753000      12.30720001       0.99759122       0.50644452      -0.05831654
K        1.25020005       3.90743001       9.82774996      -1.59059892      -0.11840194       0.02228586
K        2.96101998       7.79918998       3.71862006      -0.46278764       0.52995224      -0.19149486
K        4.20115998       4.78940997       0.06877396       0.70752294       0.59932307       0.57004539
K        7.42031998       8.76059000       6.48897003      -0.34906452      -0.27092099       0.33840994
K        8.88829006       2.78910996       0.27915401       0.02967546       0.17692458       0.15443369
K        8.73645996       9.79433995       1.63210002      -2.04756393      -0.08579211       0.02235471
K        4.82869997      11.64239994       4.32747002      -3.52334740       0.67394016      -1.96063440
Li       9.02299001       0.79067499       3.74791000      -0.61959914       0.27005736       0.11305544
Li      12.51249996       5.15781999       6.59370997       0.36157699       3.18245108       0.37758480
Li       4.53754004       8.23952006      11.14750006       0.87971906      -0.43645804       0.32854953
Li       3.82041994       6.72264005       8.54429006       0.15765358      -0.05468994      -0.56681710
Li       5.80485002      12.03069995       1.29776996       1.85518851      -0.31476922      -0.03407015
Li      12.76623853       2.49449005       0.38123003      -0.36797040      -0.27546254       0.49600521
Li       7.25598003      10.96779998       9.96946003       0.13066277       0.25690682       0.55448283
Li      12.09089995      11.15430004       2.82713002      -0.27257109      -1.48596473       1.56498735
Li       3.31507005       9.58447994       0.86794400       0.62185592       0.81198670      -0.53989477
Li      10.79529995       2.64089996       4.78099998      -0.67568664      -0.48276121       0.43034825
Li       5.01625994       3.92510002       9.14964001       0.07924099      -0.60923238       1.79714313
Li       1.31309005       0.24681312       4.08027000      -1.50859621      -1.52880863      -0.01134831
Li       3.40741998       1.87613999       0.21564598       0.78397743      -1.56635796       0.38498477
Li       6.19106000       7.08592994       2.12771000      -2.58752664       0.43531988      -1.15087479
66
Lattice="12.79008693 0.0 0.0 0.0 12.79008693 0.0 0.0 0.0 12.79008693" Properties=species:S:1:pos:R:3:forces:R:3 energy=-567.51992003 stress="-0.011835317089155719 -0.0018817650756223045 0.00543908070238145 -0.0018817650756223045 -0.017775674666741462 0.0008167503151722435 0.00543908070238145 0.0008167503151722435 -0.011099801419596399" free_energy=-567.51992003 pbc="T T T" config_type=melt 
Cl       9.83279999       7.59897998       1.56023994       0.18958330      -1.12608252       0.11970505
Cl       5.80952006       8.33328995       8.41288995       1.71039291       3.75404702      -0.13124435
Cl       2.20127999       6.22427994       8.22300998       0.01052373      -0.11227048       0.87960391
Cl      11.68300003       9.49764996       5.04705003      -0.29534226      -0.27717674      -0.43398843
Cl       0.02050980       2.71980994       6.54531995       0.56879738      -1.05874626       0.68371396
Cl       0.60194702       8.70286002      12.61320003      -0.34680205      -0.18604485       0.29676717
Cl       7.14400000       2.97077997       0.24509298       0.44639700       0.90460440       1.04598830
Cl       7.12584000      10.57329998      12.22210002       0.39261912      -0.46530003      -0.68968705
Cl       0.34842704       3.09933006       0.75194200      -0.35009046       1.32914417       0.03640089
Cl       7.94794995       6.65378002      10.93509995      -0.11035384      -0.71067832       0.50065010
Cl       6.25115000      12.53449994       5.97169005      -0.51604371       0.20730398       0.75365279
Cl       3.65068999      11.69869999       9.38487005      -0.89906356       0.70915315       0.42732397
Cl       8.98942000       9.74428006       8.16894001       0.13212027       2.58666694      -0.56309367
Cl       9.69869005       5.57337004       7.71558004      -0.83740442      -0.17657930      -0.79871676
Cl       4.96843001       5.05001004       6.94630005       0.77324292      -1.68175345       0.90100863
Cl       8.40129995       2.72253001       6.66074000      -0.05743816      -0.14982129      -0.72949048
Cl       3.46815997       3.53617996       2.10032003      -1.37682326      -1.07990217       1.35635832
Cl       7.27065998       8.22285995       5.24748003       1.55527024       0.06969718      -0.84774271
Cl       4.80037005       3.03360999      10.70100005      -0.73705459       0.02985142      -0.34082247
Cl       2.18787994       0.53392704       0.38476201       0.05129114      -1.11221595       0.14765586
Cl      10.85390004      11.70839999       1.03570006       0.32024193      -0.92762457       0.08248005
Cl      11.47550005       7.70190001       8.85889998      -0.06616128      -0.40898669       1.37395835
Cl       1.31099005       1.93890005      10.12870006      -3.61161839       0.17403895       3.65404777
Cl       2.22672996       7.77590998       5.07914995      -0.13377146       0.10331038      -1.55914055
Cl       8.82805003       1.53524005      10.42159996       0.56132686       0.08459373       0.40003841
Cl       1.80241000       0.61027004       4.04700004       0.27118047       0.40635911      -0.41414423
Cl       1.04152006       9.65072006       8.06736997       0.29335241       0.78573364      -0.10990111
Cl       9.90566998       2.39910004       2.51260004       0.22069597       1.05424820       3.23824899
Cl       3.85861997       9.89984000       1.72120996       0.08650645      -0.13169231       0.11266020
Cl       6.27890001      12.57110005       2.11095998       0.56060838       1.97372796       1.15841928
Cl       8.80271005      11.19440003       4.01705998       2.77426246      -2.45339227      -0.33420868
Cl       4.09557999       6.39709001      12.72622794       0.09281247      -0.01917233      -0.15122061
Cl       6.43530001       4.30910998       3.53342996       1.03214575       0.68256237      -0.56780678
K       11.97590005       0.59498704       4.72153004      -1.04926684      -0.11781116      -0.01639642
K       10.85050005       1.65618004       0.40358198       0.59886601      -1.17112605      -2.92741233
K       12.57009999      12.17800005      11.19059997       0.50383893      -0.14486383      -0.06985863
K        6.63762997       7.29637995       1.21092003      -0.06008775       0.57236405       0.11725310
K        0.91909002      10.71019996       2.14367996       0.30015252       0.41816771      -0.23494499
K        1.04193996       5.76449998      12.43760006       0.57590691      -0.34702568      -0.16379762
K        8.98651997       0.35938303       7.88762998       0.03903943      -0.51661503      -0.20172479
K        4.94110002       7.39645995       5.95333999      -1.49228868       0.90891246      -1.08416032
K        6.14724001      11.03600005       8.85218006       1.05244634       0.12497771      -0.10215684
K       11.55879997       4.76112994       9.81760997       0.01345682      -0.16113564      -0.61820673
K       11.57790005       4.72280994       5.50316001      -0.85505435       0.95068747      -0.21792261
K        2.50616995       1.96608001       8.17573999       2.73369624       0.17734696      -4.15049197
K        9.33078000       4.73151999       0.86751796       0.05699299       0.35111289      -0.05695744
K        3.53731994      11.63909997       5.06560001       0.75565477      -1.20218609       0.35399869
K        4.90522997       2.74500999       5.18025994      -0.23240060      -0.41623445       0.16157826
K        0.24202694       7.34427997       2.86021005       0.18987287       0.21794090       0.13788480
K        3.14608998       8.34737004      10.84220005      -0.25133632       0.85904760      -0.54972999
K        9.78010995       8.78915998      11.77430002       0.17974898       0.66588039      -0.65291934
K        6.28048995       0.81383502      11.70860003      -0.19801179      -1.29609813      -0.21168723
Li       6.56937005       4.19076995      11.35710004       0.02891346       0.46324983      -0.72058229
Li       2.72624003       1.61881994       2.23801005      -0.52023920      -0.66063813      -0.20850402
Li      11.79209998       9.15773000       7.37466999      -0.02625140       0.61963010      -0.21429446
Li       9.90627994       9.40450999       2.55798004      -0.11028719       1.77574802       0.87246841
Li       8.95044003       9.51538994       5.76593004       0.07179698       0.27334820      -0.09853723
Li       5.07122995       6.76080005       8.78347005      -2.10128660      -4.94915988       0.64416827
Li       5.72563999      11.00989996       0.96490104      -0.93034709      -1.02441125      -0.11708456
Li       2.92378995       1.54192006      11.42330000       0.63403796       0.24705643       0.10026063
Li       1.26342998       7.75272002       6.90416004      -0.03581770       0.03071356       1.09838744
Li       9.03607005       7.80146995       8.48524002       0.18074698      -2.51439815       0.32658042
Li       7.95364998       2.06014995       2.15995995      -1.93206850      -0.34405121       0.00010038
Li       4.57079004       4.82837996       1.30864998       1.70290504       1.06754880      -0.63827546
Li       7.52684005      12.51809998       4.28181005      -2.19831630       1.92985639      -0.25514469
Li       7.69776997       4.65358999       5.99106000      -0.33041663       0.43456217       0.20063547
66
Lattice="12.79008693 0.0 0.0 0.0 12.79008693 0.0 0.0 0.0 12.79008693" Properties=species:S:1:pos:R:3:forces:R:3 energy=-567.72700128 stress="-0.020468217794630802 -0.0026195156236298017 0.002011149999424583 -0.0026195156236298017 -0.014522582765177247 -0.009361582927424526 0.002011149999424583 -0.009361582927424526 -0.019475124505574114" free_energy=-567.72700128 pbc="T T T" config_type=melt 
Cl       7.14903994       3.53761002       1.05764004       0.40300942      -0.16317678       0.00607849
Cl       2.79867003       2.98360996       4.18418997      -2.45933225      -0.09919257       0.07086772
Cl       7.05205002      11.96229997       2.52295004       0.38140563      -1.07917006      -1.45152454
Cl       5.71137994       6.67637997       3.64325997       0.37750871       0.22920295      -1.20243142
Cl       9.18590003       2.97104997       9.48114998      -1.18497392      -1.06886844      -0.52000705
Cl       0.12676204       3.14189995       0.87431499       0.24786303      -0.08554657       0.87984436
Cl       1.91819994       7.09155003       1.28644997      -0.85785620       0.09520056      -1.58500010
Cl      11.29099998       8.12420003       7.40942999       1.93664152       1.05548716      -1.83038594
Cl       4.77445005       4.57625998       6.46584005      -0.29850692      -0.54059466       0.37224260
Cl      10.09310001       4.77619999       4.03167995       0.02582966       0.03686183      -0.29455422
Cl       4.55292996       9.19997003       0.37603700       0.05546248      -0.01329795      -2.15333195
Cl       6.10688997       1.46169002       4.54748996      -0.66299806       0.19161156       0.67631804
Cl       0.82179903      12.40640005       3.20930000      -0.69837043       0.51176517       0.24437583
Cl       5.46053998       1.15894994      10.18820006      -0.88914384       0.39063022      -0.16174622
Cl       7.98933995      10.97430003      10.64270002       0.60666977      -1.86755861      -0.38152120
Cl       3.82524999       7.26106997       8.83911000      -0.20292463      -0.29738842       0.81532341
Cl       1.04887998      12.12610005       8.32522004       2.12353958      -2.12501010      -3.14055274
Cl       7.74673004       6.51798997      10.76209996      -0.63349812       0.33001443      -0.19782832
Cl       3.69279994       0.94232001       1.49597998      -0.71152741       0.43362435      -1.16450807
Cl      10.16380002       8.87523995       3.87346005      -0.51345850      -0.50605302      -0.81723891
Cl      12.21170001       3.78371994       7.99143996      -1.78898747       0.54075011       0.45960447
Cl       5.87892995      11.09420006       7.16706002      -0.83055799      -1.10148208      -0.64383801
Cl       9.48800995       0.31845603       6.07006002       0.26418263      -0.52087017      -0.46915883
Cl       4.43586997       9.99985004       3.73211002       0.09840256       3.31443534       3.74221595
Cl       0.51011497      10.43790003      10.92320005       0.74282426      -0.34555531       0.89391084
Cl       3.74641995       4.48458997       0.41439997      -0.56154932       0.52251177      -0.24109581
Cl      10.30020003       4.61728994      12.01180004       0.74463548       0.62977690       0.07104964
Cl      11.51719996      12.32149997       0.17233696      -1.63252389      -2.71372538      -0.33845535
Cl       0.74697305       1.78107997      10.30310006       1.03574736       2.00856295       1.86819724
Cl       1.71978003       8.54686994       4.50846996      -0.01997245       2.67336873       3.29463288
Cl       9.62483996       1.57308003       2.39749003      -0.25769089      -0.11526518      -0.65999238
Cl      10.48889999       8.40000995       0.21104603       1.25549819       0.96766551      -0.73255622
Cl       7.82229003       6.71204999       6.38926004      -0.00012898       0.33768675       1.20512535
K        4.66826994       7.38966995       6.17191004       0.11187725       0.52058921      -0.53835620
K        7.07555002       0.57785203       7.64584004       0.25941472       1.11543725       0.30504833
K        7.98025004       7.90017002       0.56429301      -1.92228451      -0.69522533       0.21643338
K        6.83062996       4.57916998       8.43961995       0.05077650       0.35508410       0.54511732
K       11.43209996      10.55169996       5.54216005       0.71253648       0.55921996       0.80201850
K        9.79960997       3.19319996       6.52032006       0.02838388       0.12891900      -0.21737539
K        1.85695000       4.67143997      10.90090003      -0.15258595      -0.25838505       0.56478298
K        7.72067995       0.50101495      11.46479999       0.46041793       2.42161980       1.40879378
K        9.79408005      10.84060001       1.81183003      -0.38938193       0.33203159       0.22072321
K        0.59459106      10.28859994       1.31607999       0.19318810      -0.59619201      -0.02188027
K        2.94991997      11.72680006       5.23903000      -0.40845343       0.52236466       0.72507907
K       11.48189996       6.51398002       1.80225000       0.19085332      -1.23775620       0.71155492
K        7.45928000      10.26700004       4.71819004      -0.06615347      -0.58212220       0.72621362
K        1.49577995       8.89672998       8.85522999      -0.31278405       0.08432695      -0.84761947
K        2.81032001      11.85139994      11.78519998       0.64977080       0.72437967      -0.14092939
K        6.08240002       9.46314001       9.44327994      -0.54456578      -1.02301894       0.07947750
K       10.03080000       7.54109997       9.39905003      -1.64582095      -1.04201692       1.99010506
K       10.67130006      10.19300005      10.84109997      -0.46595294       0.38694169      -0.35494817
K        1.90692995       3.98821002       7.72426003       2.26174165      -0.14132527      -0.89039046
Li       4.64636999       8.97606996       2.32075002       0.80067142      -3.49707438      -1.96551863
Li       8.09367995       5.75725005       4.54758997      -0.18315063      -0.01036589      -0.79952155
Li       7.80036002       0.89788700       3.39943001       0.47600627       0.78710411       0.37313010
Li       5.32449004       3.15664001       0.04179813       0.12348728      -0.66992083      -0.19677284
Li      12.34979995       1.17315000       0.14499904       1.74484662       3.20565853      -0.60547843
Li       4.97261006      12.60550001       2.59281998       0.50710961      -0.46511557       0.87571122
Li       2.05454994       2.53810002       2.25749997       0.00591213      -0.16391203      -0.80281917
Li      12.71819999       0.27230696       9.45272005      -2.50650525       0.01768325       0.88364890
Li      11.57150001       1.64286006       3.06265999       1.21215785       0.05320719       0.24608861
Li       3.90732999       6.79737995       0.56026605       0.68003944      -0.18498033      -0.04811219
Li       1.48132996       7.37370996       3.16990000      -0.44147611      -2.46751291      -0.97403336
Li       9.33159997       3.22132997       0.59073498      -0.22198240       0.07220490       0.42693282
Li       4.62501003       3.19206996       4.75241004       2.15676552       0.30047783       0.41049569
Li      10.78830006       4.25704998       9.79771001       0.53992165      -0.17872683       0.27834096
66
Lattice="12.79008693 0.0 0.0 0.0 12.79008693 0.0 0.0 0.0 12.79008693" Properties=species:S:1:pos:R:3:forces:R:3 energy=-568.34922888 stress="-0.02079597219023407 0.004205680898423955 -0.004073164072723436 0.004205680898423955 -0.015483863924823038 -0.0023614469908510103 -0.004073164072723436 -0.0023614469908510103 -0.01690561503542319" free_energy=-568.34922888 pbc="T T T" config_type=melt 
Cl       0.13003298      10.12150001      10.80110000      -3.25543403       0.66308461      -2.58228232
Cl       8.84126002       1.12416001       8.26121998      -0.16146077      -1.70461079      -1.01040842
Cl       8.36457002       0.21753098       3.43624998       0.56380378      -2.70219634       1.92797787
Cl       3.10851002      10.93859996       9.51577006      -0.54305529       0.14720356       0.30793582
Cl       3.46308001       6.29812006       7.20326006       0.16933736      -2.16868818       0.91257253
Cl       4.15618006       0.80363595       5.53032999       1.85361681      -1.37219008       1.70339932
Cl       2.98276006      11.37809996       0.56005501      -1.19508840       1.37400149       0.44811040
Cl      12.72789999       5.76692997       5.01000994      -0.24946470       0.20765527       0.60260929
Cl       9.69935002       3.35810997       2.25764002      -0.24524485       0.49456311       0.66159093
Cl      11.56569997       9.50293994       3.78739005      -0.79720342      -0.79858001      -0.09659076
Cl       6.37704001       1.76674996       1.06254005      -0.68971544       0.50594258      -0.61537804
Cl      12.44000000       1.36865006       7.03250997       0.06472627       0.70438732       0.31141883
Cl       9.64491004      10.44200002       8.51819994       0.62930563      -0.81868355       0.29591484
Cl       8.11627005       4.22569994       5.75284003       0.29048202      -0.38801647       0.47893213
Cl       2.54561995       7.82786996       0.24060903      -0.28069658       0.74490821       0.08557100
Cl       7.93127999       5.21554996       9.96122001       0.38684509       0.12424508      -0.11681214
Cl      11.95440004       5.27848998      12.02130000      -1.17193744      -0.51598886       0.36905067
Cl      10.05219999       8.11167995       0.38590199       1.30140258      -2.14464379      -2.39817018
Cl       3.20581994       3.41580004       3.86410001      -2.20523528       0.42504936      -1.85620011
Cl      11.34019999       7.18454995       8.64429997       0.48579570      -0.22031363      -1.00627525
Cl       0.84724196       1.07752006       9.97635005      -0.74160013       0.43177589      -0.13444457
Cl       7.59370995       8.66505994       5.80026004      -0.10168426      -0.55547311      -0.75091886
Cl       2.66945997       4.22423995      11.93270000      -1.16565772      -0.22788588      -0.14105137
Cl       5.32217005       7.87603999      10.55990006      -0.69004032       0.46395824       0.30807769
Cl       9.88281998       2.05840999      10.90780002       0.84468607       0.97490886       0.76892222
Cl       6.50202998      10.94889994       8.03151002      -3.30199932       1.51145046       1.17378157
Cl      10.09499997      11.79839999       0.37598801       0.27215896       0.14120344       0.74385208
Cl       5.59519005       6.05342996       3.27544994       0.65333727       0.71083793       0.56641902
Cl       6.19193995       0.03251304      11.00740001      -0.12033633      -0.22160348       0.57289381
Cl       5.84087995       2.84025994       8.57525997       0.25992583      -1.03784892      -1.44077757
Cl       2.63484002       9.23543003       4.17889999       0.29558486       2.13473395      -0.60150609
Cl       6.97116001       9.02807995       1.84198995       0.35507963       0.32177070      -1.35987501
Cl       0.36022794      12.21110003       2.95903995       0.69527399       1.18105109       0.26476072
K       11.94380000       6.18691997       2.37239997      -0.35239992       0.19740432      -0.58212491
K        8.19607994       4.23386001      12.70061669       0.12786054      -0.14766865       0.26482002
K        5.18781005       3.76876999       5.34218998       1.89845132       0.44527957       1.60758290
K       12.28079999       3.48059002       9.29677001      -0.22726329       0.13775537      -0.07685187
K        2.68800995       6.77048994       4.75837994      -0.00894641      -2.17670167      -0.97302007
K       11.49579997       2.29775996       0.56084595       0.84058646      -0.77400213      -0.49875492
K        3.70520006       5.45643002       1.43539002      -0.26309051      -0.54742986       0.05047941
K       10.85059994       1.38820994       5.00053005      -1.23002727       0.16307162      -1.42472996
K        2.92505003       0.71614101      11.37129998       1.48375910       0.18215027       1.10166007
K       11.42150005      12.42039996       9.10454997      -0.18089468       0.20153358       0.53195949
K        0.82522997       6.73262003      10.63619997       1.71411936       0.49901329      -0.55387076
K        8.85404997      10.13099997      11.38789998      -0.28235201      -0.07981919      -0.44678624
K        4.90387000       9.97613006      12.51029994       1.76772634      -1.18387260      -0.98062329
K        5.05290994       3.91588003      10.80229997       0.63186259       0.48672584       0.49122933
K        1.88825003       0.01785266       7.42942000       1.06490720      -0.36444840       0.02167980
K        3.54537999       8.71935002       7.82040004       0.74495309       1.73989666       0.26880735
K       12.62420001       8.82044006       6.47326994      -0.08923544       0.00146495      -0.37257417
K        5.66959997      11.22350004       2.87575998      -0.12613731       1.36693094       0.66866363
K        9.83168994       6.47083995       6.14451994      -0.10667926      -0.03101611      -0.22347762
Li       2.79723000       1.36313997       4.27725998      -1.64502556       0.41548956      -1.56412454
Li       2.72872003       9.73585996       1.79488994      -0.94511863      -0.94094251       1.19097064
Li       5.07950002      11.52390004       9.80314004       0.75311958      -0.16768347      -0.88305114
Li       8.00776996      10.12829999       7.29998995       2.04998987      -1.14388893      -1.43445668
Li       8.22430996       3.05162994       8.35233004      -0.88779651       1.60047808      -0.29020498
Li       6.53660005       0.30351401       7.17464006       0.12805768       0.59123317       0.22023641
Li       8.19671996       0.88257394      10.60649998      -0.41974414      -0.28084199      -0.39683401
Li       9.29460004       9.17134006       1.73602996      -0.83774481       1.94339218       2.18771383
Li      10.85149998       7.11026001      10.59210000      -0.81174061      -0.28554288       1.85887324
Li       6.82689998       8.07426997       3.64239997      -0.29640304      -1.25013944       1.38445745
Li       1.43987000       9.54442996      11.89620003       3.09033878      -0.71409873       2.67797669
Li      11.29239998      11.32479996       2.51445998      -0.41545291       0.03244627      -0.47065226
Li       6.83977998       7.04176001       9.52696996       0.62751825      -0.51079553      -0.76888321
Li       7.95053994       1.76926002       2.44013998      -0.00270541       2.20861834      -0.97918972
66
Lattice="12.79008693 0.0 0.0 0.0 12.79008693 0.0 0.0 0.0 12.79008693" Properties=species:S:1:pos:R:3:forces:R:3 energy=-567.39726807 stress="-0.00929318174831777 0.0005666253758881463 -0.0017883901142991888 0.0005666253758881463 -0.010962454127704122 0.003911930581579986 -0.0017883901142991888 0.003911930581579986 -0.02328842652901105" free_energy=-567.39726807 pbc="T T T" config_type=melt 
Cl       7.09954000       1.03978994       9.27376000      -0.32795875      -0.47575697       0.16431504
Cl       0.04321310       1.85398999       6.14222003      -0.51954421      -1.00418445       0.12235180
Cl       1.19406001       3.69013999       2.76789005      -0.25718046       0.24224956      -1.03570316
Cl      11.92479995       9.07446998       0.58822300       0.18679087       0.75541924       0.78169794
Cl       8.14117005      11.06539998       1.20143004       1.62592712      -1.12270444       2.40042799
Cl       3.17516006       3.13903996       7.50127995       1.16340569       0.11178337       2.43237769
Cl       0.11158801       5.46285998       5.42244995      -0.12533299       0.61828360      -0.10948894
Cl       3.61111004      12.40070002      11.46409999       0.18763703      -0.14048688       0.19198793
Cl       0.20813897       2.82594003      12.10219999      -0.32411676      -0.79016105       0.27846133
Cl       1.14624004       9.77851004       4.51464002       1.65790418      -0.80776431      -0.32380577
Cl       6.74497999       9.66890999       7.30385997      -0.54243566       1.03058479      -1.02865621
Cl       7.14680999       1.20899000       4.12550994      -0.75598306      -1.01503615       0.94773024
Cl       0.28012797       5.00700005       8.89736002       0.25053943       0.94645494       1.71170630
Cl       8.09780999       5.25566006       4.80224994      -1.87971123      -1.04338150      -3.86804912
Cl       8.89770996       9.67946002      10.58190004       0.23494000       0.72316972      -0.44480506
Cl       2.15034999       7.05236005       1.36010999       1.41186083      -0.47143226       0.46533863
Cl      11.32819995      10.09950004       5.67690004       0.00216337      -0.17991817      -0.32732289
Cl       8.67646000       3.65458994      10.09860000       0.80986643       1.73963061       1.07301854
Cl       5.53758005       8.50989994      10.62190001      -1.53826391       0.07012658      -0.48153910
Cl       9.63803997       3.43796002       6.86494000       0.37062166       0.36057669       0.14449573
Cl       5.02038001       2.47625995       1.89855002       2.98767792       0.89112500       0.37984272
Cl       9.46309997       2.21225005       2.26170995       0.87782848      -0.06327723      -1.28191794
Cl      10.88889998       0.78005998       9.83468998       0.45146489       0.03107729      -0.95182609
Cl       3.99463001       7.01313004       5.24292996      -0.32065021      -0.85283169      -0.63727727
Cl       1.51408998      10.22439997       8.09568006       0.00359899       0.43493445       0.16411778
Cl       3.19367000       0.55959905       5.08543999       0.46072643      -1.32147284       0.08159239
Cl       7.45511004       6.66958997       8.27835998       0.63640263      -2.81094767      -0.75063602
Cl       7.42647995       7.53878995       2.16214002      -0.43911215      -0.30767006       0.82541289
Cl      10.83909999       6.57952998      11.64879997      -0.98140239      -1.89724815       0.58468708
Cl      11.11960002       7.98413004       8.28044003      -0.54261023      -0.92853775      -1.67155729
Cl      10.87369999      12.28100003       3.53140005      -1.11416035       0.61964151      -0.89227252
Cl       4.13491999       4.20340004      11.28840001      -0.47103305      -2.14187369       4.12867748
Cl       4.40460998      11.62840004       2.42519003      -0.56714890      -2.01404032      -1.28865901
K        7.55697004       8.00814995      12.31340001       0.67502729      -0.26604160       0.04690566
K        2.37426003       3.06885000       5.11249000      -0.56746362       1.04488416      -1.20382491
K        2.81346996       1.61554005       1.32141001      -3.05269987      -1.14444378      -0.98254157
K        9.58532000      10.61720004       7.52364994      -1.00993129       0.48643686       1.42792832
K        3.98353998       8.56150001       7.52217998       0.00202041       0.30098486       0.49975157
K        6.71020003       2.69552003      11.78390000      -0.58694512      -0.15890911       0.15034505
K        5.46157995       9.21194999       4.00125003       0.09077517       0.20998613      -0.10399810
K        1.79829006       1.27171003       9.93399005      -0.71427320       0.70279167      -0.08876778
K        4.51599002      12.40980004       8.60004998       0.39709539      -0.00748592      -0.41726003
K       12.44269998       6.29712998       1.37219995      -1.22200322      -0.87245614       0.52889612
K        4.53004006       5.28867997       9.28024995       0.92323425       2.08784647      -4.04674352
K       10.32150001      12.21619995      12.05569996       0.16512014      -0.52941636       0.82997769
K        6.86484996      12.09470001      12.21670004      -2.21744315       0.88474962      -2.66388576
K        1.37362004       5.13285003      11.45410006       0.32602811       0.60985574       0.29621011
K        5.88054994       3.61651999       6.03563998       0.26461265      -0.25402034       0.26940490
K        4.89145005       5.23543995       2.16610994      -0.34182825       1.05776229       0.06590208
K        9.67865003       9.22958995       3.18258995       0.34203604       0.00169837      -0.08433016
K       11.77360002       8.66848999      10.63870005       1.19187540       2.42136334       0.12846740
K        2.52404998       9.36252001       0.00894782       0.24669873       1.11118120      -0.20911226
Li       7.07246006       8.42621006       8.96897006       0.04862827       1.88275247       1.35197870
Li      11.72489997       1.47274999       4.05440998      -0.12386844       0.86877158       0.20866992
Li      10.27639999       5.88369003       9.42741998       0.12713760       0.02826962      -0.57742504
Li      12.64249994      11.40379998       4.00854997       0.59514091      -0.87640050       0.21203855
Li       0.82865106      12.15645195       6.62732999       0.20319308       0.05754592      -0.20849634
Li       1.37474006       6.77292006       4.22043004       0.67531759       0.27937165      -0.00345732
Li       8.44516995      12.69570005       2.75002000       0.54457195       0.52207754       0.18378584
Li      12.46419999       4.19925004       7.23502002      -0.86560725      -1.16502552      -1.92175190
Li       0.11423006       8.75816998       6.83941994      -0.36340112       0.11845097      -0.25052177
Li       8.74765998       5.82542006       6.42759999       1.29713762       0.60880767       3.23653103
Li       9.96948995       4.67789001      11.86450006      -0.10741147      -1.28664482      -0.20003613
Li       9.54268002       2.19974006       8.68560005      -0.06262646      -0.46638608      -0.06910609
Li       7.76584994       2.96511997       3.14991997      -0.14150339       0.95127858       0.38890661
Li       5.13528002       0.50927005       3.07984001       0.64864363       1.60403169       1.42083603
66
Lattice="12.79008693 0.0 0.0 0.0 12.79008693 0.0 0.0 0.0 12.79008693" Properties=species:S:1:pos:R:3:forces:R:3 energy=-569.39825719 stress="-0.008911333928260002 0.00019866867726547218 -0.0029407204916318303 0.00019866867726547218 -0.008122165185198038 -0.0012654928886601813 -0.0029407204916318303 -0.0012654928886601813 -0.01112709394741906" free_energy=-569.39825719 pbc="T T T" config_type=melt 
Cl       2.58128997       0.11458396       2.69519005      -0.26307711       1.07939258       0.04789745
Cl       1.88816997      10.91910006      12.25909995       0.69509104       0.22392188      -0.29871998
Cl       9.76866001       1.68168002       7.56338005      -0.02042806      -0.09510542       0.05677589
Cl      11.10599994       4.31233001       3.35577002       0.40299155       0.59073976       0.07887497
Cl       8.37119004       7.66689994       4.81585002       0.38921745       0.31473687       0.29543607
Cl       5.29296004       5.63678994       5.94377006      -0.10512804       0.40976822      -0.55475183
Cl       1.34931005       8.22506995       1.97540002       0.05089935       2.57023078       0.82123810
Cl       1.48584000       5.66736004       4.34622003       0.17072659      -0.15902757       0.28543913
Cl       0.46894496       3.33342996       8.80467001       0.32022432      -1.16586609      -0.46597794
Cl      10.78520000       0.48412999       4.42423995       1.23299743       0.43438251       0.57689913
Cl       3.17755999       1.37584001       8.05478005       3.67515073       1.80933423      -1.21937237
Cl       7.51393997      11.28039994       6.49688006       0.89893115       1.62028769      -0.41165966
Cl       8.54765999       9.55132996       8.86688994       0.65327931      -1.13843753       0.62978248
Cl       5.23461001       6.15996998       9.35529003       0.06912937      -0.61869831       0.21806504
Cl       4.39526004       9.36986996       8.73672996      -0.33066773       0.52856087       0.16770236
Cl       6.59922006      10.97059999      11.93990005       1.83120159      -1.14196064      -0.01232209
Cl       1.90982000      11.37360002       6.54242006      -1.16228365       0.53717690      -0.13783886
Cl       8.37537995       3.99893003      11.27890004       0.56918094       0.68387947       2.93220231
Cl       4.59808997      10.43800005       2.76849003      -0.38517785      -0.84588818      -1.58032293
Cl      11.27940001      10.08970002       5.87147998       0.14320138      -0.65311988       0.08883707
Cl       6.85454998       0.01411309       2.55319002      -0.99614088       0.61643388       0.59830484
Cl       8.86361005      10.68379994       2.45105005       1.66588757      -1.37562425       0.73325360
Cl      11.02169997       8.82824994      12.18579996       0.19508281      -1.64806404       0.26463616
Cl       7.43942006       4.43384006       3.13880999      -0.72309745       0.23697765      -0.08635536
Cl      11.96070006      12.00640006       0.72276602      -0.15607028       0.15003730       0.09086053
Cl       1.60088006       3.66516005      11.84440005      -0.43126902       0.23528324       1.03700912
Cl       5.26301001       9.84871994       5.69458003      -1.49318418      -1.15108290      -0.07368762
Cl       9.37147000       1.38642995       1.35591996       0.79295672       1.80328267      -1.20404011
Cl       0.73203704       6.42730006       8.43847997      -0.00061244       1.04874197      -0.55078025
Cl       9.89077004       5.96427999       8.49591999       0.28608693      -0.35383298      -0.26626344
Cl       6.68953995       7.65539001       0.58478695      -0.56511331       0.22949975       0.18660970
Cl       4.95823004       0.81679401      11.68290001      -0.38671975       0.66439350      -0.44826009
Cl       0.22327399      12.36079994       9.82837002      -0.26997092      -1.53204609      -2.95779765
K       12.26459994       3.76758000       6.11271995      -0.12094144      -0.76296915       0.10808176
K        0.87080399       5.97730004       1.03965002      -0.51571980      -2.20793532      -0.72266451
K       12.60620001       2.50248001       1.46679006      -0.07643912      -0.61357285       0.00276629
K       10.02800000      11.03959995      11.15500004      -0.54126181       1.13694982       0.04885257
K        1.81664997       8.51637006       6.07783997       0.55646205      -0.31023813       0.18868859
K        3.91480004       1.71041001       4.90193000       0.18074111      -0.30463472      -0.33897680
K        0.53800004      11.40029997       3.92607002      -0.42813397       0.01938801      -0.20808547
K       11.76709997       6.71096002       5.54461997      -0.66909088       0.51552040      -0.03109073
K        3.49852006       4.45132001       7.60986997      -1.00702813       0.36961759       0.16306003
K        8.01668004       4.96094998       6.08144000       0.38103556       0.10215642      -0.36293792
K        3.39282994       8.76954996      11.48949995       0.51313959      -0.99790689      -0.47427758
K        7.76422994       6.94851005      10.75560003       0.12704573       0.21608073      -0.22655413
K        9.12052005       7.46311996       2.01745997       0.04038235      -0.19784372       0.08574512
K        3.95207995       3.21247999      10.34139997      -0.03361860       0.01086015       0.41914387
K        7.81409005       3.40051998       9.01760999      -0.45114883      -0.60434238      -2.62917830
K        6.74308002       2.41383000       0.51934199       0.14385421       0.01163571       0.45886498
K        4.61821006       7.32433997       2.90582999       0.27270354       0.06855966       0.37114296
K       11.28500002       8.68980006       9.02331002       0.31077182      -0.20217935      -0.18720190
K        7.39891999      11.91869997       9.24381994      -0.75043166       0.89780344      -0.00251083
Li       9.22272001       3.47326002       2.69203997       0.21056132      -0.96042373      -0.43343678
Li      10.73330000      12.22220004       6.34331997      -0.51018317       0.54573085       0.49517923
Li       5.75085999       8.06802994       7.25182005      -0.13871760       0.11125325       0.01710461
Li       6.30051001      11.02659998       4.01318996       0.19926775       0.45922057       0.33037031
Li       3.86755998      11.24609999       7.11835997       1.42884886      -0.78502965       0.43995083
Li      11.92499998       9.60353001       1.21125001       0.57413967       0.59309463      -0.15646482
Li       1.63501002       0.44808599       8.46713002      -2.88878014      -1.61494498       0.41909554
Li      12.67280004       0.28071197      11.50220000      -0.16546036       0.97978908       3.23841017
Li       3.00800001      11.26930006       1.22196005       0.01362612       0.16091182       1.25500261
Li       8.81780005      10.24010006       5.20658999       0.52333334      -0.91718494      -0.40149260
Li       7.09095005      10.44500006       1.36296999      -1.08819514       0.13426340      -0.50337533
Li      12.02010004       4.95776998       9.33180001      -0.42090064       0.39609676       0.06589023
Li       4.69611997      11.49490006      12.11210003      -1.31602919       0.79066585      -0.13037485
Li       9.43973005       0.10627194       2.93304000      -1.10712807      -0.94870017      -0.14040095
66
Lattice="12.79008693 0.0 0.0 0.0 12.79008693 0.0 0.0 0.0 12.79008693" Properties=species:S:1:pos:R:3:forces:R:3 energy=-570.447904 stress="-0.007388952370362787 0.0018068125713596734 -0.005430138872988852 0.0018068125713596734 -0.009581891665810532 0.004354942419841357 -0.005430138872988852 0.004354942419841357 -0.010962543019277092" free_energy=-570.447904 pbc="T T T" config_type=melt 
Cl       6.31227996       2.42313006       2.20174005       0.13081873      -1.05783037       0.37764828
Cl       1.57255999       0.72068201      11.42879999      -1.11423903      -0.11373421      -0.43802852
Cl       5.36105997      12.32559996       5.68090998       0.09692038      -0.20798999       0.15337320
Cl      11.59599994       2.55151005       4.61849003      -0.56256376       0.35795599      -0.42846326
Cl       5.21429999       6.40474001       4.51011003       2.92010938      -0.06751076       1.81734484
Cl      10.76639998       9.44055003       3.31465002      -0.21339312       0.49204222       1.93102944
Cl       5.99235001       5.07477996      12.47571197      -0.75144499      -0.99206211       0.73973690
Cl       9.51525999       4.85796996       2.41340000       0.10444915      -0.40494523       0.45049366
Cl      10.59030005      10.91919995       0.15714898       0.24753429       0.57115890      -0.60184427
Cl       1.24288002       5.44097000       4.42972996       0.07525697       0.40703545       0.05249525
Cl       2.91011006       2.51650997       5.82210999      -0.03517632       0.07976936       0.31578103
Cl       8.44200006      10.68389996       8.36820995       0.42019348       0.19110681      -1.23012307
Cl       3.89446994       9.05715003       6.36334004      -0.51663341      -0.10102347      -0.05682606
Cl      11.83530003       5.92271003       8.92760001      -0.62355014       0.83069654      -1.15558519
Cl       2.40347003      12.12909997       3.27109006       0.10256184       0.00249405       0.28443178
Cl       6.54239998       0.44465402      11.58929998      -0.19369437       0.17567121       0.41332442
Cl       0.24172100       0.45590597       7.76577998       0.41472879      -0.26529185      -0.32297123
Cl      11.64189998       6.97542001       0.79800601      -0.46394110       3.60403248      -2.98711617
Cl       4.99628004      10.18930000      12.41709998      -0.46236811       1.01965568      -0.24590364
Cl       1.98182998       5.99795002       9.60025997       1.66272749       0.85945999      -0.32660938
Cl       9.46933002       0.35471797       3.26721006      -0.19064391       0.63384208       0.08078884
Cl       0.02241309       8.68631003       6.90523006      -0.11176698      -0.53475979       0.23913300
Cl       9.62283000       5.86171999       6.01057997       1.64140128      -0.74219104      -0.48166932
Cl       0.75310296       3.71229997       0.55053100       0.19410089      -0.31738102       1.37026135
Cl       8.85307997       3.23042001      12.05050003       0.64921978      -0.47424306      -0.06227070
Cl       9.44471000       3.07544995       8.27461005      -0.42254437      -1.24288653       0.03324786
Cl       6.97984001       9.78190005       3.48770003       0.10498119       0.39457954       0.52410503
Cl       8.23168000       8.38608998      12.28640001       0.63129337      -0.81908194       0.35478257
Cl       6.69739997       3.34350996       5.37793994      -0.16184861      -0.89385106       0.07563359
Cl       7.00620997       6.30019998       8.02455004      -0.03554342       1.22965883      -1.26192634
Cl       4.08907994       2.10699006       9.83909003       1.65605616      -0.81598400       0.19328420
Cl       3.66924994       7.66694995       2.17422998       0.42648178       0.07502600       0.56807066
Cl       2.35147999       9.84770006       9.64154995       1.11625904       1.44019730       0.43454385
K       11.41780001       1.44590001       0.76527797      -0.41953667       0.01294179       0.09512574
K        2.00250004       2.88459998       8.69767006      -1.75465064       0.73500139      -0.65972376
K        5.54175000      10.36920000       8.48950001      -0.18997285       0.04381050      -0.11835292
K        7.71915000       5.41217005      10.33239997       1.21812464      -0.77387545       1.42060267
K       12.76680002       5.11965999      11.21819995      -0.70635400      -0.27829776       0.88092780
K        1.45077994       2.46868004       3.40583004      -0.00481930       0.20160371      -0.80455083
K        8.15691004       0.60708301       6.36749004       0.00885595       0.29397557       0.35266854
K        4.63681004       4.50273002       2.85091997      -0.62634851      -0.59908225      -1.01073889
K        1.32673004      11.04309996       5.88813996       0.12433592      -0.12712448      -0.05779003
K        3.30990004      12.37300002       0.46769396       0.53645695       0.08201622       0.29568830
K        9.45154004       8.44952997       6.46397999      -0.03984307       1.20927643       0.14903784
K        5.58560005       7.64979000      12.40700004      -0.53406349       0.04877343      -0.15600063
K       12.75469996       8.96410995      10.44060002      -1.54634183      -0.31814638       0.00524785
K        4.87343995       4.75016999       7.46960006      -0.93103926      -0.57971506      -0.12302162
K        7.91848006      10.78579999      11.01549997       0.10472103       0.54355171       0.89901085
K        7.13014003      12.04970001       1.65948001      -0.17281973       0.32438368      -0.61201489
K        7.27943001       7.10385000       2.23032999       0.47618260      -0.31327992       0.11550041
K       11.21090001       1.10787004       9.77842997      -0.65837243       0.16604766       0.53256339
K        2.08066001       7.72519000       0.12349699      -0.73627475       0.02434453      -0.78870032
Li       7.68272000       5.13209004       6.09886994      -0.52172716       0.14741006       0.17792981
Li      12.33809997       6.22948999       6.05352001       0.06409424       0.23048321      -0.01714813
Li      10.53480003       9.01921003       1.34020005      -0.27490049      -0.31166752      -1.24641588
Li       9.22640995      11.19700000       3.97931004       0.04806666      -1.52428050      -0.43016075
Li       2.40758000       8.20699001       8.35707004      -0.20442168      -0.90709960      -1.03372752
Li      12.18270003       5.58718001       1.82549995       0.75093902      -3.69697193       2.67679345
Li       2.93841005      12.57860003       9.87029004       0.01040868       0.47850652       0.20755790
Li       4.41737001      10.43870005       4.44144005       0.44514264       0.05376981      -0.03411295
Li       3.35335001       6.90158002       4.41807001      -2.39303464       0.86428643      -0.19463471
Li       4.85125004       1.64349995       5.23332997       0.34897136       0.09964034      -0.09705608
Li       8.94884997       2.66649996       3.55633995       0.00166837       0.76624635      -0.43414018
Li      10.27429998       4.92183994       8.03005003      -0.38983678       0.36100850      -0.67730043
Li       0.04250849       1.49046004       5.83273996       0.42826043      -0.19641510       0.76777708
Li       6.37333997       2.87900994       0.07761306       0.80238640      -0.37473790      -0.89101371
66
Lattice="12.79008693 0.0 0.0 0.0 12.79008693 0.0 0.0 0.0 12.79008693" Properties=species:S:1:pos:R:3:forces:R:3 energy=-571.05693495 stress="-0.011680166697636538 0.003647143956627132 0.003585906051438496 0.003647143956627132 -0.008755433619419347 0.0009359870382150568 0.003585906051438496 0.0009359870382150568 -0.0077499627561660655" free_energy=-571.05693495 pbc="T T T" config_type=melt 
Cl       4.05262001       4.33741994       0.10391306      -0.25952270      -0.59734758      -0.05537151
Cl       3.71723003       6.65692996      10.29950003       0.53649426       0.20556115      -1.14350931
Cl       3.97255994      12.10100002       8.51472999      -0.57362930      -0.16274641       0.34562153
Cl       9.10836001       0.19501301       6.20469001      -0.77433820       0.58755388      -0.27733470
Cl       9.01083994       3.72730005       0.02601312      -0.66492098       1.66809692       0.05682475
Cl      10.40089997       9.97259999       8.19772001       2.56281132       0.36077719      -2.01848314
Cl      11.84879997      11.52530005      12.66310298       1.31694825       0.59615632       0.41853458
Cl       3.89778999      11.98000004      12.21409995       0.70788038       0.37121034       0.15353862
Cl       7.62841994       1.38576998       2.63903005       0.27321388      -0.66722326      -0.17715933
Cl       1.56285001       7.18295004       2.91709997      -0.38927303      -0.16483604      -0.31967586
Cl       5.55555997       8.97929997       1.01078995       0.49214190       0.04111912       0.06898784
Cl       8.74064002       4.68538001       8.98164004       0.00011011       0.44381990      -0.37193832
Cl       5.91652001      11.26379994       4.47559995       0.05353612       0.10478559       0.21933815
Cl       9.78199994       4.39060995       4.49735000       0.45548464      -0.61856921      -0.00052806
Cl       0.10341310      12.20920006       5.27922004      -0.09796435      -0.12990808       0.57496590
Cl       6.68608995       9.89597995       7.85291001       0.28735250      -0.22134695       0.30440630
Cl      12.45130004       2.88850006      12.76289994       0.57750464       0.38737429      -1.04059536
Cl      11.95039994       2.12130997       7.48804004       0.47706020       0.22380148      -0.22875764
Cl       9.56376998       1.69452997       9.65221995      -0.31018856      -1.36858373       0.07834536
Cl       4.88747004       5.38445994       5.31744002       0.86672775       1.25436668       2.96245591
Cl       0.27953899       2.95195999       2.99182004       0.15810913       1.47032451       2.70652625
Cl      12.07039999       6.45237004       6.46564999      -0.15011443       0.25544198      -0.14306804
Cl       5.50493003       1.81134004       6.75753998      -0.10947505       0.56117257       0.97086261
Cl       2.85905996       9.43658996       5.91208006       2.03324619      -0.09702551      -0.10974430
Cl      12.67299995       5.38761001      10.29639997       0.09930259      -0.42972291      -0.65716046
Cl      10.48650006       8.38747003       3.56481005       0.17517967       0.37634963      -0.89245587
Cl       8.01571004       7.14341000       5.18756998      -3.53405504       1.22998710       2.32568185
Cl      12.22700003       7.85221999      12.29849994       0.48507010      -0.17870708       0.75476390
Cl       1.52760002      10.83279997       2.58256003      -0.18541981       0.41830652      -0.85416755
Cl       9.05885994      11.61710000      11.55580005      -0.81397149       0.38417928       0.00828713
Cl       4.39602003       2.28916004       3.53955002      -0.40320755      -0.51635332      -0.47252239
Cl       8.84504997       8.69041002      11.08440004       0.03085670      -0.55252715      -0.53640288
Cl       1.81223995       4.44895001       6.79676002       0.37816663      -0.45475143       0.18885305
K       10.95360004       1.70255997       3.88402006      -1.19390723      -0.69875723       0.48846689
K        1.10702001       9.03589994       7.76888004      -1.24601906      -0.55465012       0.88382030
K        5.86041003       5.69529998       8.16777995       0.24812893      -0.02218514      -0.10680690
K        7.92314000      10.95440006       1.62467000      -0.09212467       0.05430072      -0.20445140
K        5.53561997       1.83123003       0.31603000       0.22407725       0.33498704       0.64543118
K        6.73990002      12.57549997      10.44140004      -0.64978575       0.38874352      -0.80755685
K       10.52580003       7.37332997       8.87189995      -0.30555863      -1.29196466       0.25675752
K        2.36685994       1.41655994       6.46694000       0.06001024       0.09211823      -0.43471237
K        8.71499999      10.35080005       5.02738003       0.47117195      -0.48625652       0.55125759
K        1.47161001      12.63480005      10.95329999      -0.53294591      -0.03702465       0.01002994
K        3.75281001       5.22658000       3.19354005      -1.43189856      -0.39483039      -2.68430286
K        5.70908002       8.43107003       5.01332001      -1.15943997      -0.26667258      -0.26641499
K        2.72828005       3.75216999       9.75278994      -0.19221200       0.42902068      -0.08826562
K        6.88408996       3.67549994       4.79176002       0.76150299      -0.47853564      -0.35459236
K       10.08360004       1.34991003      12.64030005       0.38785182      -1.56941324       0.28145293
K        3.92212006      12.13179996       2.56010000       0.45107422       0.28372900      -0.25337773
K        8.47073005       7.20709005       0.60475394      -0.23102779      -0.48679334       0.49854630
K        2.00219999       6.25156005      12.33030006      -0.12293454       0.25920083       0.85229458
K        5.09802006       9.25091000      10.54730004       0.17279142       0.12192152       0.40147635
Li       1.25927998       2.65921997       1.40094005       1.40930428      -0.28894356      -1.83068869
Li       0.69331301       9.08361004       1.76025004      -0.48471264      -0.82569310      -0.02501719
Li      11.35200000       9.67575998      11.86020003      -1.25181880       0.33246845      -0.48263833
Li       9.52404998       6.54343994       4.43910996       4.01024148      -1.14321955      -1.59959324
Li       9.74631995       2.62392995       7.59449002      -0.42668284       0.18447857       0.17451883
Li      11.99940005       5.65726994      12.40929995      -0.50815582      -0.83396640      -0.04596984
Li       8.97441006      10.58110002       9.28597006      -1.97225663       0.47540459       1.88669324
Li       4.82232002      10.66270000       6.94842001      -0.35052701       0.49059337      -0.14028155
Li       0.14939397       5.16094000       4.47112994      -0.02541974       0.21170346       0.17506845
Li       1.56238995      10.31350006       4.58422999      -1.05966620       0.45618006       0.04715950
Li      12.48209997       4.48474997       7.54695003       0.08689763       0.05949238       0.13965988
Li       9.73945001       3.48420002      10.72250006      -0.15878023       1.04881587      -0.16363928
Li      11.08090003       0.05596840       6.89587001       0.97572956      -0.34410038       0.14490823
Li       6.27061996       0.60286305       5.25373003       0.43597578      -0.28088758      -0.78835150
66
Lattice="12.79008693 0.0 0.0 0.0 12.79008693 0.0 0.0 0.0 12.79008693" Properties=species:S:1:pos:R:3:forces:R:3 energy=-569.15045827 stress="-0.020250487367491115 0.007260968559253614 0.0004987364561598776 0.007260968559253614 -0.016108749007405315 -0.0004840368970137453 0.0004987364561598776 -0.0004840368970137453 -0.008141917726577777" free_energy=-569.15045827 pbc="T T T" config_type=melt 
Cl       9.23637995       9.82159997      11.55640004      -5.02523792       5.05481726      -0.20227991
Cl       8.54765999      10.39080002       5.10773004      -0.95577405      -1.35416449      -0.87651401
Cl       5.94505994      11.98740000       5.71156002      -0.56332633       0.50747393      -0.11025817
Cl       9.34495999       5.53616994       0.21185794       2.51836681       1.08166944       2.10877610
Cl       0.90033796       2.13881998       6.51106004       0.73325246      -0.11090593       0.19273590
Cl       2.59106006       4.67017004       8.85760997       0.24215131       0.38096306       1.87884947
Cl       7.74582002      12.37230002       8.63038998      -0.04841744      -0.12961044       0.50950712
Cl       9.99941006       6.85945996       5.38443999      -0.11826551       0.36276898      -0.45579951
Cl       0.01304013       3.42643999       2.09386002       0.73454055       0.08439161      -0.14305225
Cl       1.50643997      11.32170002       5.06233994       0.21676580       0.96233671      -0.12722844
Cl       1.31197003      11.70520004      10.52300002      -1.18936668       0.37010529      -0.37001961
Cl       5.69753006       3.35892994       8.42287005      -0.76193919       0.28468405       1.04029682
Cl       2.11843003       8.56419002       1.91541004      -0.01240886      -0.06529628      -0.10801311
Cl       7.37387995       1.72151002       2.65649006       0.07540343      -0.18307210       0.30775826
Cl       0.93921202       5.95683002       6.03891999       0.85415337       0.81022695      -0.84674907
Cl       3.70102998       1.17563998      11.02140004      -0.48857307       0.11894466      -1.26840030
Cl      12.42350002       8.41818006      10.92730004       0.50956098      -0.20869838      -0.56386380
Cl      11.11579996      12.63060005       2.00293004      -3.63057747       2.79056424      -0.61516882
Cl       8.45106004       6.29637997       9.75991006      -0.17700023      -0.06117703      -0.02783625
Cl       5.16018999       5.08641997      12.13350002       2.27292888      -3.16813457      -1.14319174
Cl       2.43813002       0.16451697       1.49159004       0.17871537      -0.84267829      -1.29070393
Cl      12.57979999       9.51444002       6.85109998       0.34899542      -1.30509233       2.12921501
Cl       5.02151999       8.25786002       4.29461996       0.16566288       0.14148519       0.62971719
Cl       8.73556005       2.53663006      10.95200000       0.33691025       0.81724203       0.15881333
Cl       6.85263006       8.48751998       1.00789006      -0.28703660       0.08830297       0.23346488
Cl       7.88093002       2.99696000       6.65486001      -0.50587079       0.58497533      -1.56558292
Cl      11.59619997       8.77535001       0.99901399      -0.40087055      -0.24007363       0.82987883
Cl      11.14300000       4.19094006       7.61255998      -0.41004513       0.11985442       0.01904193
Cl       4.60455996       8.67175005       7.98486994       0.26044463       0.03412239       0.26682364
Cl       3.28252005       9.17006002      11.52780000       0.79133265       0.76079897      -1.00869298
Cl       4.22655994       3.08238000       3.84977997       1.25372270       0.67697534       0.12979941
Cl       5.98428995      11.99699999      12.62729995       0.29662652      -0.18646056       0.16255436
Cl      10.80670001      12.69329999       7.07172002      -0.89060551       0.13106972       0.25739740
K        4.81151994      10.67229999       2.39050997      -0.35240778      -0.23610464       0.16564907
K        8.09604995       7.67835999       7.22834001      -0.38745294       0.30081055       0.19426517
K        5.11414005       1.81642998       0.38410294       0.51132273       0.79732761       1.30506241
K        0.05910235      11.10310004       2.25791002       3.66460311      -2.63724864       0.41247667
K        2.37228998       1.29101999       3.95133006      -1.51221002      -0.52732216       0.62581016
K        0.90202894       1.72999995      11.63580000       0.14287321       0.02950557       0.29315626
K        3.95039997       0.64278897       7.54942005       0.06724197       0.28417506       0.38481976
K        8.08913998      11.45100000       2.12276996       0.25635821       0.39819182      -0.24523087
K        6.04267005       9.57719995      11.19800006       0.91687224      -0.21665818      -0.65128388
K       10.29839996       3.01203004       1.04078002      -0.83706019      -0.81288253       0.21185263
K        5.62840003       4.63084001       5.67238002      -0.06505464       0.96593114       0.21146034
K        3.95292997       6.95008003       0.14209301      -1.09021050       2.35035289       2.16289857
K        1.77637002       8.47897006       5.04198004       0.84555290      -0.07399878      -0.53124511
K        9.22744006       8.09302995       2.82267997      -0.17914935      -0.36344596      -0.36968830
K       12.42630002       6.86876002       8.41595995      -0.45139212      -0.39174431       0.40831411
K        1.82180003       9.39480999       8.91089999       0.30234077      -0.16683450      -0.07955772
K        0.52778294       5.90634998       0.75952102      -0.47471767       0.47255151       0.16054637
K       11.14549995      10.61529994       5.10984002       0.56185802       0.82398432      -1.67497210
K       10.91989995      11.39790004      10.63619997       1.72655865       1.20955594      -0.93138623
Li       8.08979995       0.63034703      10.53700005      -0.81945886      -0.63231038      -0.08882225
Li       6.55047998       1.88180997       4.92872996       0.09145216      -0.48012530      -0.66319351
Li       1.55322995       9.07268001      12.53160004      -2.07375622      -0.10806620       0.75665567
Li      11.73420002       5.72174003       5.73560001      -1.00414920      -1.27726060       0.08713755
Li       7.89581001       5.27169000      11.85180001      -2.43819423      -0.43254105      -2.02435851
Li       0.14110702       0.12125604       7.04963999       0.68117119       0.04547815      -0.46625365
Li       9.43808998       1.83054001       6.92456995       1.97687479      -0.68571863       0.45823620
Li       2.02955005       4.49552997       6.95279997      -0.26323855      -1.51865674      -0.71292920
Li       8.53499998      11.63820006       6.74452006      -0.16802156       0.77414036       0.54497537
Li       2.91058995      11.50769999      11.90720002       0.88664730       0.81273215       0.49423610
Li      10.00620006       8.31602000      11.71869997       3.49735091      -6.42290592       1.05261031
Li       4.41926997       4.09246995      10.33410003      -0.11125611      -0.46808146      -1.00356819
Li       5.53108998       9.69585001       6.28978003      -0.26496788       0.18649374      -0.85813885
Li       8.11162994       4.19260994       8.73596997       0.03940098      -0.30773332       0.23919085
66
Lattice="12.79008693 0.0 0.0 0.0 12.79008693 0.0 0.0 0.0 12.79008693" Properties=species:S:1:pos:R:3:forces:R:3 energy=-571.89796276 stress="-0.012359852024374268 0.0029516872475886273 -0.0013632771328977316 0.0029516872475886273 -0.012345569516626416 0.003898006336455962 -0.0013632771328977316 0.003898006336455962 -0.010711607994523547" free_energy=-571.89796276 pbc="T T T" config_type=melt 
Cl       4.53048004       7.86228003       7.03028002      -1.15741370      -0.41030379      -1.32038746
Cl       2.16080998       1.10107006      10.30399997       0.21023769      -0.23684370       0.19530351
Cl       8.76990003       4.65325003       7.19325002       0.03008581      -0.15318910      -1.22343379
Cl       6.69565003      10.19239994       6.97149997       0.83912512       0.78675634      -0.65910412
Cl      12.49099996       4.47018002       5.87778997       0.06072866       0.10131780       0.20482670
Cl       7.20376002       9.09045005       2.93411002      -2.23676279       0.64578635      -0.87401898
Cl       5.72391000      10.68230004      12.11309995      -0.43339506       0.36102914      -0.10937760
Cl       1.50121995       8.65344002       0.06561302       1.33752916      -0.21022449       0.36475953
Cl       7.68227004       6.47933999       9.59425004      -0.53761871       0.34183329       0.51726893
Cl       9.92501997       1.96987995       8.56798996       0.73637647      -1.48624109       1.01021028
Cl      10.61800006       2.13170000       2.90508995       0.66797454       0.10420610       0.58479448
Cl      11.76210006      10.52669994       3.03920003      -1.42209299      -0.10615194      -0.85472887
Cl       9.34727998       9.12869995       9.74990002      -0.48430867       1.26144825      -0.64674516
Cl      12.30779999       0.86893305       6.86536003       0.83562830      -0.34219349      -0.77243335
Cl       2.26034998       2.97605997       3.69438003       0.06209197      -0.73675617       0.04116741
Cl       6.13903005       1.95138996       8.37094997       0.27755677      -0.09611555       0.11048023
Cl       2.79491998      11.35440006       6.94303998      -0.52376106       0.44419979       0.15939947
Cl       9.90988994       6.88168005       3.34433006       0.52368464      -0.62983404       0.39316661
Cl       5.92482001       5.72628998       4.67971004      -0.21996206       0.13929679      -0.29412015
Cl       9.07100003      11.37869994      12.66828987      -0.38376480      -0.17856735       1.19208244
Cl       8.76797998       2.88938999       0.14816894      -0.88137117      -0.08298382      -0.13267974
Cl      11.06609999       5.53141996      11.69080006      -0.65043902       1.00814677      -0.28416680
Cl       6.39486006       0.83712206       2.43651003       0.12767859      -0.56330967      -1.09442754
Cl      12.58011092       0.28394300      12.69005694       1.09025840      -1.71741852      -0.29286885
Cl       0.84509604       5.93781001       9.90524995       0.44599904      -0.91856613      -1.07111548
Cl      12.30320004       5.04311004       1.81189001       0.33477262      -1.35370972      -0.47025756
Cl      11.70250005       9.12543004       6.51857000       0.43698498       0.04449389      -0.23312464
Cl       3.96708003       4.39410995      10.87940002       0.68534116      -0.46625544      -0.24229770
Cl       8.86898995       0.88686297       5.38479005      -0.84600485       0.31090011       0.26363908
Cl       2.45859006       6.66737000       3.22559994       0.23732689       3.64236621      -1.85609061
Cl       3.11554994       3.20779000       7.49382998      -0.72316206       0.39790122      -1.11872325
Cl      12.72130005       9.21048002      10.11120002       0.03515586       0.05832232      -0.04602405
Cl       4.20663005      10.04159995       3.84919994      -0.79272984       1.25593611      -0.17728250
K        2.00131005      10.92609995      11.55119997      -0.03020256       0.96279476      -0.35780737
K       12.72100000       7.62081994       1.89738996      -0.73330534       0.92443793       1.42673433
K        5.09280004       1.18501997      12.01289998       0.20289993       0.18420773      -0.07748209
K        1.66761003       7.18006997       7.28928004      -0.28000425       0.06793752      -0.04568592
K        5.89148994       8.56513994       9.10103001       0.54139585       0.83985458       1.73200964
K       10.68039995       7.14296004       8.27246004       0.40158660      -0.53441068       0.24546292
K       12.44770001       3.24476000       8.56123999       0.76217442       0.55273347       0.43691572
K        1.22413999      10.99129998       4.35745996       0.87804245       0.10236871       0.56572945
K        9.05813001       4.20460998       9.85229004      -0.11598613      -0.38770289       1.60108642
K        9.91428001      11.15900001       5.65854997       0.12319968      -0.38741368       0.01074977
K        2.25672003       4.01850999       0.25077997      -0.46562224       0.08950580       0.62349717
K       11.56550006       2.61275000      12.72820005      -0.47655520       1.85627014       0.29982623
K        4.48009003       8.72813003       1.09931002      -0.29186837      -0.42151351       0.35303730
K        6.12408995       1.30249999       5.14612000      -0.91574817       0.38183064       0.63419477
K        8.87161997       5.95495000       0.84977197      -0.24361651      -0.78851588       0.14437132
K        9.04046997      12.00649995      10.03640002      -0.11338029       0.39452630      -0.82098978
K        8.09398000       7.11750994       5.87028999      -0.07583263       0.09567317       0.15448415
K        5.48463996       5.18986005       7.77811000       0.07705333      -0.56669502       0.03889691
K        0.54345297      11.63499998       8.58041003      -0.33435513      -0.19516741       0.28603882
Li       1.65054997       1.97824006       6.29669997      -0.03772119       0.24863804      -0.55946059
Li       6.79578004      11.50510002       1.18635999       0.47679656      -0.03390466       0.14766434
Li       8.97054004       8.68309000       3.49268995       2.26629927       0.35949713       0.19872324
Li       8.29931999       2.34550996       7.39833996      -1.00367964       0.24817274      -0.63657963
Li       4.66511003      10.89000006       6.22737003       0.74538114      -0.79388609      -0.43807239
Li      10.73939998       1.84552001       5.63946997       0.51309727       0.70192635      -0.39482144
Li      10.95669998      12.01540006       0.78479104       0.14169076      -0.41369302       0.72599951
Li      11.72069996       4.44641003       3.80432004      -0.22929626      -0.31640638      -0.07877226
Li       9.69268996       8.04191002      11.42459998       0.46852279      -0.54616586       0.19959485
Li       0.59996200       7.19049005      11.54439999      -0.58156201       0.42410749      -0.41458221
Li       8.60268998       1.60155000       2.29268000      -0.24884375       0.28578983      -0.39243826
Li       5.21343000       8.35067999       4.45518006       0.45894769      -1.41799746       0.68011897
Li       2.45362994       5.07794999       4.11515995       0.09504338      -3.25997276       1.88721476
Li       3.68081998       2.47575001       9.35472995       0.34369863       0.12789648       0.56065087
66
Lattice="12.79008693 0.0 0.0 0.0 12.79008693 0.0 0.0 0.0 12.79008693" Properties=species:S:1:pos:R:3:forces:R:3 energy=-567.69917915 stress="0.0007093927381317585 0.002985773021460881 0.0011198872937642108 0.002985773021460881 -0.01053257355707384 0.0034304020846688417 0.0011198872937642108 0.0034304020846688417 -0.01833662786524166" free_energy=-567.69917915 pbc="T T T" config_type=melt 
Cl       7.26284997       9.00187997       6.14341002       0.22994118      -0.73895496       1.19559734
Cl       4.36795998      10.27520002      11.99829997       0.00048374       0.06763334       0.06790935
Cl       8.33790998       2.90604998       0.08804402      -0.32117555       0.27262186      -0.43592146
Cl      10.26729997       9.19065999       8.75569996       0.16621238       0.01349050      -0.00379459
Cl       8.52349005       0.28504397       6.11415001       0.35661035       0.09227293       0.24804920
Cl      11.79170003       5.19915998       7.35883995       1.06860251       1.13477305       0.44429480
Cl       8.24977004       1.17925996       2.90007995       1.34847321      -2.30663384      -4.24100894
Cl       9.71999002       3.61841996       9.76223005       0.15114462      -0.36662617       0.17880323
Cl       2.71289997      11.93929994       3.17356002      -0.14873787       0.38067420       0.28045665
Cl       0.92825297       8.86514000       5.43936996      -0.87708142       0.54786307      -0.68313539
Cl       2.45998994       6.24797000       9.93981005      -0.32936046      -0.13994437       0.36042328
Cl      12.76830004       2.01126995       6.26388995       0.21497186       0.58856734      -0.70614139
Cl      10.93789996       3.98925996       3.23110006      -0.16898549       0.17923141       0.58308764
Cl       0.75714501      11.79530006      12.11700004      -0.39378346      -0.13646622      -0.33452419
Cl       6.08306997       7.17891003      11.73630003      -0.23026110       0.17161662       0.04641768
Cl       8.45087996       5.35012994       6.42877003      -0.09653032      -0.52075872       0.34600107
Cl       6.36836999       5.14637004       2.43194000      -0.87822017      -0.40216304       0.38126192
Cl       5.34578003       5.51912997       8.14265997      -0.82278031      -0.31801775      -1.13988736
Cl       3.39081000       3.70204001       1.24719003      -1.07364335      -4.57594166      -3.91289723
Cl       5.68354001       2.53052995       5.29204005       0.11661725      -1.19429194      -0.81685440
Cl      11.08549999      10.83390005       2.81075999       0.27064328       0.23541506       0.75335831
Cl       0.78221997       2.31136005      11.02630005       2.79006546      -0.93175272      -3.45586478
Cl       4.28210000      10.84669999       6.31344002      -0.24173630       0.24974048       0.43098559
Cl       5.67989995       0.45014404       9.93547996       0.09336653       0.02388247       3.23902142
Cl       8.22463995       8.71982006       2.60572006      -0.20888334       0.22392129      -0.09297453
Cl      12.46949995      12.57979999       8.62450002      -0.83055960      -0.25477333      -2.52709603
Cl       8.94587001      12.70930001      11.41660004       1.39790967      -1.65110963       0.72760199
Cl      12.47369996       2.03238996       0.56483595      -2.13432792      -0.06191767       3.55494896
Cl       2.74316003       1.57505994       8.03424006       0.62913073       0.54818192      -0.19069293
Cl       1.41484006       9.38937996       9.00796000      -0.25590330       0.28645486      -0.61720039
Cl      10.52450005       8.20327002      12.59759996      -0.11927765       0.12690064      -0.34673560
Cl       3.36213002       5.42467006       4.43555994      -0.41819961       0.22873711       1.90403666
Cl       1.00310004       6.92671996       0.93153797       0.77388111      -0.55736945       0.85460085
K        7.51958999      10.87499997       4.49294996      -0.43202731       1.44890232      -1.72670910
K       11.27830006       0.91429399       4.14528994      -0.21162454      -0.01900183      -0.39332644
K        2.98722994       7.82719004       6.82468998       1.07995664      -0.05704772       0.78040781
K        4.03171000       3.68269002      10.10790005      -0.07397056      -0.00205296       0.36777842
K        7.56279004       5.58109998       9.81248000       0.85782277      -0.08901279       0.06326061
K       12.29000003       4.46947004      11.43790001      -1.08639856       1.69621739       0.40036572
K        0.58670201       8.27357994      11.42430006      -0.59395994       0.56945497      -0.15302656
K        2.89247995      12.00080005       9.66055999      -0.22964896      -0.73937275       0.31208780
K        5.81105001       0.89615599       7.53619996       0.30649298      -0.05925900      -2.57970561
K        2.83328999       1.62968001       4.92607998      -0.02299995      -0.01171470      -0.26716427
K        1.15628998       9.59940994       2.29889995      -0.18261874       0.22271612      -0.13488713
K        0.21178401       6.00087997       4.22773996       0.01461883       0.10087412      -0.36759088
K        6.96879999       6.77909000       4.66880994      -0.30677127       0.23424472      -0.98596062
K        7.04892003       9.40262998       8.76894998      -0.13084626       0.08465585       0.92626172
K        4.78933004       0.46958600       0.09750126       0.19025294      -0.26381632       0.38067015
K       10.40730000      10.48770002       5.95423005       0.13273724      -0.26469314       0.25019328
K        7.76858996      10.17029995      12.62830000      -0.31107316      -0.95535362       0.03179419
K        8.64683995       6.02882005       1.18766995       0.40204001       0.34781579      -0.48119029
K        1.90436004       4.54185004       7.50124005      -0.03092627      -0.22602051      -0.04653013
Li       7.76491997       1.48466997      10.88690000      -0.12545333       1.35091183      -0.13746807
Li       9.66606995       2.73183006       1.85486995      -0.16514604      -0.04586906      -0.28772537
Li       7.86378005       1.91355995       4.48484999      -1.26289534       1.79348376       4.33940533
Li       5.49206000       4.45529006       5.75365002      -0.08128108       1.60100223       0.57410811
Li       2.06781006      11.03889995       5.83610004       0.25234318      -0.41177228      -0.36302261
Li       1.79016004       1.66751999       0.28847402      -0.29408091       0.22378973       0.05059733
Li      11.72819994       1.09511001      11.54930000      -0.16994038      -0.28907741      -0.27349371
Li       3.61035005       4.98215006       2.44956001       1.46005850       3.31120057       2.09968747
Li      10.12139999      11.70290000       1.15688997       0.02691623       0.31067529      -0.55728801
Li      12.11939997      11.39829998       9.91563998      -0.63212013      -3.67050813       3.43105717
Li      10.38629996       4.60842001       5.90048994      -0.37448146      -0.52445110      -0.47572106
Li       3.67026995       7.55696006      12.15389995       0.64302757       0.05448017      -0.34022780
Li      11.77290001       7.50028003       8.43992001      -0.09010007       0.02402914      -0.33044517
Li       0.47610497       1.41761998       8.27932000       1.38349075       3.03931265      -0.19831901
64
Lattice="12.40919302 0.0 0.0 0.0 12.40919302 0.0 0.0 0.0 12.40919302" Properties=species:S:1:pos:R:3:forces:R:3 energy=-534.4206455 stress="-0.014874925685846084 -0.0014850282790994525 -0.0031691399837457924 -0.0014850282790994525 -0.01948618409149614 0.0022798436093619473 -0.0031691399837457924 0.0022798436093619473 -0.022392056021942424" free_energy=-534.4206455 pbc="T T T" config_type=melt 
Cl       3.19915002       1.05765997       1.18857000       0.12412223      -0.19225129       0.26715049
Cl      10.63880001       2.27412001       0.08736097       0.76142182       0.45837854      -0.75920516
Cl       2.03847005       6.94130995       7.57924001       0.24727367      -0.12175812       0.05784430
Cl       5.66260006       3.45326994       2.62031006       1.13647648      -5.79628368      -1.03407811
Cl       4.41517996       1.38731006       5.24562996      -0.20398906      -0.40564310      -0.24191282
Cl       7.00397997       9.30093997       7.92970999       0.41027020      -0.79762780       0.80397415
Cl      11.50210000       0.58974603       4.16753999       0.03843479      -2.94316542       0.49800896
Cl       0.71101698      11.23249998       1.45258005      -0.99424991      -1.91455837      -2.31133172
Cl       5.49539003       7.90005996      11.76420002      -0.10697576      -0.32334822      -0.38528222
Cl       9.78257003       3.71500998       8.12633998      -0.40862050      -0.03377354      -0.05364581
Cl       7.11880000       9.81491000       3.98259996      -0.70168689       0.23577175       1.10469691
Cl       0.42055202       3.62141004       1.76644999       0.76775625       0.18291141      -0.20700341
Cl       7.27455002       5.58092002       5.65341999      -0.30213005      -1.06181896      -2.02522038
Cl       6.99548005       6.54020003       2.12229998       1.09767479      -1.42175285       0.04826242
Cl       9.00007002       5.01418002      11.79360001      -0.60487452       0.80139659       2.55247264
Cl       9.32317004       3.05368003       2.89521004       0.18454724       0.43452107       1.29945571
Cl       1.16074996       1.85454000      10.10099998       0.10214361       0.44596308      -0.65987931
Cl      11.54929998       7.76832000       9.42814995      -0.13170500      -0.31723298       1.16419893
Cl       1.18971996       7.89566003       0.18394606      -1.39733508      -0.43143304       1.29974935
Cl       8.63766004      12.31150003       6.63099996      -1.30613962       0.42407430      -1.91850707
Cl       0.44236403       3.18890003       5.14526006       0.06809097      -0.02975707       0.22613335
Cl       4.82730005       4.07845998      11.87919998      -3.44344400      -1.66346572      -0.58541210
Cl       6.96253997       1.62335996       0.04501360       2.94950996      -0.59106156      -0.26203886
Cl       8.90415999      10.79680006       1.06337006      -0.09036418       0.09463118      -0.27770153
Cl       3.49181004      11.14959999      10.02460005       1.39139571      -2.26141800       2.90481162
Cl       0.37432604      10.19699998       6.68755002       0.71147209       1.42782372      -0.28835027
Cl       5.69195996       0.98103394       8.30060997      -0.75061034      -1.38885489       2.23957591
Cl       3.45247997       6.09669001       2.85669997       0.17751553       1.60493600       0.22100737
Cl      10.06309994      11.40640005      10.01119998       0.01732377      -0.01912787       0.14776115
Cl      10.26050005       7.59898998       1.53032998       0.25738091      -1.39263852       1.82469901
Cl       5.87879997       5.96618998       8.60818994       0.46485084       0.15354865       0.44900771
Cl      10.59240005       7.81604005       6.19407997      -2.39648138      -0.66115657      -2.11336097
K        4.37880998       3.45392006       9.20932997      -0.49432122      -0.08038603      -0.37451692
K        6.53472001       2.67426002       6.69187003       1.18596088       1.84074488      -1.37373256
K       10.88949996       1.20358997       6.96366002       1.57297868       0.55805106       0.45780361
K        5.84427003       8.83034006       1.83159999      -0.88443449       1.13061182       0.43899255
K        5.43851002      11.12590005       6.57851999      -0.17407687       0.45147647      -0.68060778
K       11.62889998       5.21851004       6.51948003       0.40932381       0.19518096       0.40150766
K        0.47700504      10.35949997      10.76780002      -0.40839085       0.39761790      -0.04789694
K        2.61847002       3.59468995       3.29563001       0.81675135      -1.25296458       0.71937291
K        6.05043003      10.81320005      11.51320002       0.49051389       0.78597576      -0.19736243
K        7.71574001       0.99520400       4.12302003      -0.48988332      -0.21232154      -0.69641585
K        0.69679902       8.02547000       3.00071995       0.13077740      -0.01172583       0.17144015
K        2.50310002      12.34332155       8.23502999      -1.60187608       2.03423437      -3.19501907
K        2.82196999       8.23719006      10.74839999       1.39720757       0.08821290      -2.25810642
K        9.80208994      10.13630004       4.20076002       1.02485737       0.45013756       0.06910664
K        0.80882500       5.25860005      11.24209998       0.03474292      -0.03968262      -0.43527872
K        4.89572000       7.32070005       6.07848995      -0.50472039      -0.05403662      -0.06123054
Li       8.77959006      11.23299994       8.24977001      -0.01339939      -1.40792597       1.68230398
Li       9.27041000       0.79373604       0.29300698      -0.82855004      -1.23323292      -0.11752221
Li       5.05943002       1.65797999       0.21038695      -2.20745909       0.82128987       0.47209910
Li       8.97896000       6.85732006       3.41093995      -0.47361006      -0.14380927      -0.17335744
Li       1.26451005      12.13470006       2.99736004       0.47963722       1.77662756       2.27720136
Li       1.77610000       1.73349006      12.09560006      -0.32851777      -0.15195867       0.75812561
Li      11.28169995       4.40789005       0.75532202      -1.89103222      -0.10384314      -0.24570192
Li       6.36573001       5.03363006      12.18759995       3.01974515       2.31860240       0.74271098
Li       7.93471995       6.73826006       7.07541994       0.79375982       1.31239603       1.58325419
Li      10.31959995       8.95079994       0.07030701      -0.22835843       1.42482571      -1.02695641
Li       5.48729998       5.14002996       3.00214999      -0.53017993       5.46439246       1.22570840
Li      11.29380003       2.26817997       3.22320996       0.65957670       1.88158595      -0.91811468
Li       8.09926002       3.67098005       1.41010004      -0.93096432       0.09617110      -0.91851624
Li       9.02825999       4.60428005       9.92980002       0.07662856      -0.64367812      -2.18972818
Li      11.99149996       8.42925000       7.42104004       1.47210022       0.08115771       1.27497060
Li       6.40431999       7.88179996       9.89758997       0.35615836      -0.26955589      -1.35041367
64
Lattice="12.40919302 0.0 0.0 0.0 12.40919302 0.0 0.0 0.0 12.40919302" Properties=species:S:1:pos:R:3:forces:R:3 energy=-533.51680336 stress="-0.02477363999368627 -0.0052978984774860105 -0.0038441529791669775 -0.0052978984774860105 -0.013644609643026943 -0.000179481036152191 -0.0038441529791669775 -0.000179481036152191 -0.022183286186171765" free_energy=-533.51680336 pbc="T T T" config_type=melt 
Cl      12.03539996       1.79205996       3.52435005       1.04459495       0.11101254       1.08571297
Cl      11.39489996       4.84273002       9.77029002      -0.05600761      -0.34070152      -0.20903144
Cl       7.94038996       0.76490502      10.17649999      -1.28665763      -1.23205933       1.19756156
Cl       0.77183294      10.13309995       0.13220692       0.17900038      -0.80301984      -0.48420573
Cl       3.79662003      10.45100002       8.94826003      -0.02831514       0.92791093      -0.82407209
Cl       8.94619998       2.39053995       1.49440003      -0.27793415       1.68554008      -0.68298936
Cl       6.93259001       3.99306004       7.56654999      -0.06119332       1.52316563       0.04525717
Cl       4.49211000       6.27970005       2.08217002       0.04768100      -0.28760991      -0.06767910
Cl       3.52821005      11.38949997       0.31090700       0.79973231      -0.73746723       0.67326466
Cl      11.00930004       5.44625000       3.57305005      -1.29816688      -0.27220948      -0.18628690
Cl       1.18054994       4.59385000       1.24565999      -5.29801123      -0.12483877      -5.19705349
Cl       7.17293002       6.25642003       4.69661003       0.16242113      -0.52888191      -1.67158463
Cl      11.54740000       8.39889004       7.82653003       0.26794594       0.23504486      -1.04466793
Cl       2.20384997       5.76043997       7.36300001       2.52815995       1.24990774      -0.70031467
Cl       7.00556003       2.40621003       4.08940005       0.00609426       0.79778560       0.17172361
Cl       6.24849999      10.11129998       2.37539999       1.28324448       0.79373055      -1.29505765
Cl       7.19609004       5.88077998      12.03930004       0.15783853      -0.40507376      -0.35355256
Cl      11.81920005      11.94489996       9.74057000       0.72108645       0.34785441      -0.13387268
Cl       2.08157996       5.63261002       4.16178002      -0.73196466      -0.23271593       0.71905165
Cl       8.29761005       7.56362999       8.20418000       0.77885728       0.87332149       0.27531131
Cl       4.34107002       7.71051003      10.68989995      -0.74342733      -1.68980834      -2.76299991
Cl      11.11649996       0.05210695       0.59045397       0.01459351      -0.11278575       0.89171567
Cl       8.82001995      10.12410006      11.73490006      -1.10179222       0.20733565      -0.25582597
Cl      10.84579999       9.56625000       2.53880995      -0.58276721      -0.24361187       0.22783486
Cl       3.37781994       1.28284997      11.11669999       0.47441317       1.97335508      -1.28133475
Cl       2.14197997      10.73719994       4.74381001      -0.06594622      -0.43088707       0.36881853
Cl       8.85600996       0.27680703       6.16901997      -0.48813075      -0.60957969      -0.06924833
Cl       5.43878997      11.24959997       5.45065005       0.03578561       0.95279051       1.18083011
Cl       5.53242999       7.66405994       7.67862995      -0.39399837      -1.22112828      -1.78295601
Cl       5.95515994       2.12639998       0.94836997      -2.61346654      -2.23579693      -0.67749350
Cl      11.16140002       8.14960995      10.82280005       1.09132050       0.01751068       1.83188746
Cl       2.66727997       1.05285004       6.88606000      -0.48383974       1.46493468       0.04903984
K       11.56730001      12.09630006       6.06896006       0.99365494      -0.11428513       0.08565278
K        2.80497002       0.82529597       2.41610004       1.01349127       0.59922394      -0.00452884
K        4.97426002       2.31940996       8.27544004      -0.98553419      -0.92289646       0.52117096
K       12.21890003       7.80315000       4.36406004       0.58238132       0.34722579       0.70923225
K        1.67859998       9.20459003       9.82495003      -1.88642996      -0.56418957       0.75094288
K        0.58584495      11.51960006       2.60716004      -0.71240834      -0.60962031      -0.52655605
K        8.21654005       8.17707000       1.35144997       0.15372879      -0.43080146       0.23307322
K        9.65053994      10.52739995       8.80247000      -0.37776040      -0.05921690      -0.03228891
K        4.61935002       8.73146001       0.47793597       0.05062257       0.75840231       2.20595809
K        4.38478004       4.68064002      11.56460001      -0.15408898      -0.04084121       0.51641221
K        4.82751002       9.08712001       4.14936995      -1.68173562      -2.27076254       0.70485467
K        6.27938994      10.16869994       8.04178002       1.35402869       1.08886174       0.14157751
K        8.84112998       2.16049994       8.26367997       1.29790057       1.19288282      -1.06273400
K       10.67440000       2.00873998      11.24040004      -0.14518115       0.91690522      -0.46931799
K        4.56624004       5.44804995       5.70022002       0.24233703      -0.40683876      -0.30123613
K        8.32699998      11.94419996       1.90020000      -0.04925723      -0.01804354      -0.22845305
Li       9.75307996       7.49010998       9.54650995       1.15378013      -0.98211725       0.21423864
Li       7.82993003       7.26052006       6.26561996       0.08711270       0.29662339      -0.05050851
Li       1.74687995      12.31000001      11.20239999      -0.38130851      -0.67378514       0.11320163
Li      11.96911005       7.11851000       0.33079595       0.14388490       0.06006329      -0.14917629
Li       2.43904997       4.54926005       2.37874005       5.59946962       0.61241157       4.07176943
Li       6.78866000       6.38026005       9.08925005      -0.58947158      -0.80895913       0.63689175
Li       3.64302003       7.92774003       8.34326000      -0.84622603      -0.10720252       0.67420474
Li       5.62461006      12.26670198      11.52389997      -0.44532825       0.67687055       0.38193189
Li       6.56567995       0.62657999       5.10179004       0.58563247       0.01974222       0.17449844
Li      10.41769996       1.38103994       2.31697999       0.79048209      -0.54259856      -0.16630525
Li      10.98909999      10.38930003      11.76290004       0.62161624       0.15006186       0.21565160
Li       0.72552903       5.23855994       8.37769005      -2.77553647      -0.72247067       1.81268712
Li       7.09379002       3.64242005       1.00600000       1.53717537       2.08475403      -0.00205745
Li       0.10833399       3.98442994       4.05770995       0.54189802       0.19100387      -0.19007539
Li       8.79232003       4.58934000       3.77337997      -0.26109279      -0.25320905       0.14871936
Li       3.23092996      11.54190000       6.66049996       0.46101234      -1.12021923      -0.16721399
64
Lattice="12.40919302 0.0 0.0 0.0 12.40919302 0.0 0.0 0.0 12.40919302" Properties=species:S:1:pos:R:3:forces:R:3 energy=-537.4876533 stress="-0.010304917239246736 0.0025241561495140752 -0.001116785269970156 0.0025241561495140752 -0.01916435602129091 0.0029703236136498744 -0.001116785269970156 0.0029703236136498744 -0.00589146062141815" free_energy=-537.4876533 pbc="T T T" config_type=melt 
Cl       6.07720001      10.89429996       2.08077994       0.81651259       1.18101401       0.75712220
Cl       5.41150004       2.07183006      11.77769998       0.16626320      -0.88959234       0.27726667
Cl      11.55189995       5.97628994       3.41790002      -1.42328728       0.22247307       0.27085563
Cl      10.42890000       2.82154994      11.82540005      -0.06613605       0.81487478      -0.47624060
Cl       0.87199896       3.66869999       4.39197998       0.18988017      -0.52647821       0.76032584
Cl       9.55164997       2.28529002       3.39463998       0.02324729       0.03044921       0.03602227
Cl       5.25652994       2.12293000       6.24966000       0.23690667       0.13476617       0.22698674
Cl      10.94769994      11.34549995       4.92207005      -0.62329691       0.93139100       0.20613555
Cl       1.10177006      10.55330005       7.57257999      -0.80148243      -0.52479500       0.22380278
Cl       1.17704000       7.55920003       5.80715996       0.99113027      -0.29776537      -0.65296620
Cl       9.69412003       9.27129006       7.62040006      -1.20309511       1.12338027       1.17283833
Cl       1.23117002       0.92685305       9.50690998      -0.59885482      -0.16291237       0.25642318
Cl       3.69732998       9.51995006       8.84085002       0.48797033      -1.19076790       0.51465094
Cl       1.25496998       8.26927999       1.03838005       0.76548047      -0.13972826       0.01723127
Cl       2.75919002       5.74306996       8.87530005       1.13952563      -3.75439468       3.04356280
Cl       7.36061000       6.68840005       2.79193999      -0.04736357      -0.27527560       0.52006604
Cl       1.36709002       1.01449000       0.96739004       0.95327935       0.21406983      -0.56243239
Cl       7.71159001       0.30219996       9.37385998      -0.34194640       0.05978866      -0.41650410
Cl      12.13310002      11.00619998       0.98902199      -0.16879183      -0.26912143      -0.69464099
Cl       4.27612006       8.08812997       2.23966998       0.35456182      -3.15090578       1.78165941
Cl       7.01272001       9.25175998      11.72310003      -0.47342511       0.09137095       0.05537651
Cl       5.56245006       6.69908995       6.87514996      -0.42987900      -0.27245919      -1.30281691
Cl       8.81114006       5.62998002       6.72089004       0.92565685      -0.29481792       0.14022486
Cl       2.00561001       0.23054903       5.45467001      -0.06423235       0.92389161      -1.29645149
Cl       9.91280005       9.08068002       2.23247997      -0.98193383      -0.19369853      -0.46055743
Cl       5.39196996      11.05990002       6.50786999       0.31335824       0.73102452       0.02954867
Cl       0.90680004       5.07608005       0.67369906       1.04467992       0.75635160      -0.52301889
Cl      11.27680005       3.05877996       7.84141002       1.49637557      -2.04502442      -2.30017009
Cl       6.68388000       5.63187006      11.54639995      -0.39214672      -0.18322338       0.16287424
Cl       4.08455997       3.92907005       2.26484997       0.71552979       0.81480477      -0.48301351
Cl       9.33301004       0.14380704      12.40769995      -0.96681414      -0.71950354       0.44556198
Cl      11.46200006       5.86448001      10.36530003      -0.56163474       0.66678204      -0.87297903
K        0.53426800       3.49762995      10.69500000       0.77913433      -0.22929262      -0.34289659
K       10.31829996       5.67133998       0.57973404      -0.51417879       0.07530260       0.35463297
K        5.09164006       9.04844999       4.72481005       0.09959450      -0.75052017       0.01666794
K       11.61830005       7.54922999       7.73340996       0.39871104      -0.99024420       0.55852798
K        9.54014999      10.08849995      10.89979996       0.33899450      -0.05263803      -0.48128680
K       12.17010001       3.04611005       1.83872994      -0.88521674      -0.65855314       0.98081647
K        3.82388005      12.21900005       9.17558999       0.30353637       0.36539758       0.25790652
K        6.70637005       7.65932000       9.21147006       0.18475840       0.41141630       0.14142573
K        3.94814000       9.91246996       0.73509404      -1.34254929       2.08211434      -2.89395452
K        7.14170005       0.64628802       4.18586998       0.26393964       0.05992647      -0.00324196
K        0.63682601       9.89357002       3.97649004       0.38020045      -0.10548756      -0.20614368
K        3.18246996       5.38533005       4.49282006       0.18021546       0.34931572       0.52835468
K        3.52259998       5.90180997      11.67090002      -0.25877371       0.33331985       0.65819931
K        9.21873998       9.04149005       4.93938001      -0.22715213      -0.44135196      -0.11981356
K        4.00213004       1.18411994       2.39413998      -0.41175387      -0.29970037      -0.05483241
K        5.11267005       3.77626002       9.41702995       0.31025475       0.07237732      -0.47395760
Li      10.47770002       3.95167997       4.85516998       0.26794864       0.23360660       0.02344253
Li      10.59710003      12.31109996       1.89239995      -0.19575377       0.04682592       0.54493956
Li       1.32929001       2.23623002       5.97023004      -0.20510292       0.15253287       0.13042053
Li       6.43585994       0.48001302       7.27151994       0.17561717       0.08690536       0.48090640
Li       5.89278005       5.33170000       1.45257000       0.13645167      -0.04626424       0.07095593
Li       2.24844005       6.99359000       7.70961000      -0.70231911       3.76135876      -2.92408576
Li      11.66880001       8.84334998       1.10591001      -0.13191639       0.27753062      -0.15414245
Li       0.90291696       6.56422001       2.44056004       0.34250384      -0.17708338      -0.50600292
Li      10.41849998       4.12862005       9.10135001      -1.43034644       2.20609270       2.07167566
Li       7.24202006       5.93455001       5.34809999      -0.54203755       0.10075304      -0.23935262
Li       8.97972006       1.58825001      10.71830000      -0.11321571      -0.02234639      -0.00576641
Li       0.15539300      12.39408731      11.52729997       0.53392326       0.37611645       0.33233655
Li       2.94924004      11.17399994       6.49714001       0.51019945      -0.97806413       0.89098540
Li       6.85285995       0.12510700      12.36929995       0.12346256      -0.01691155      -0.19238286
Li       7.17100994       8.65175005       1.48651001       0.13398857       0.01604944       0.11902496
Li      11.96650002      12.10540704       7.45295996       0.02084395      -0.04445273      -0.42010327
64
Lattice="12.40919302 0.0 0.0 0.0 12.40919302 0.0 0.0 0.0 12.40919302" Properties=species:S:1:pos:R:3:forces:R:3 energy=-539.80580771 stress="-0.0035507808041533996 0.0021040536831181305 -0.0018607157483745006 0.0021040536831181305 -0.0110712853063247 0.00029156376640095333 -0.0018607157483745006 0.00029156376640095333 -0.014001884217233486" free_energy=-539.80580771 pbc="T T T" config_type=melt 
Cl      11.10540006       4.86130000       9.89314996       0.76779522       0.05635587      -0.27937487
Cl       7.48780001       0.51268296       9.36707997      -0.60979127      -0.82977211       0.11971958
Cl      10.61690002       4.15327997       4.27392003       0.12864143       0.90296919       1.97980194
Cl       9.64024006       3.87236003       0.60547903      -0.63570501       0.51511320      -0.53156645
Cl       5.71701003      12.39405219       0.23614905       0.18831832       0.03647075      -0.48769310
Cl       5.94133002       3.12493002       3.73034005       0.24992957       0.12267459       0.06430958
Cl       8.27703003       6.68092003       5.83974005      -0.12930983       0.42897967      -0.85750614
Cl       1.87430003       4.39368996       8.34095995       0.03775505       0.03929902      -1.90870365
Cl       5.37980001       4.20180996       7.62401994       0.34325162      -0.06202957      -0.57433602
Cl       2.71191001       9.74750004       2.18300005       0.22454111       0.84272182      -0.39712593
Cl       0.94524695       0.22687306       6.19544001      -0.05115319       0.06119994       0.04384421
Cl       4.55186995       6.34687002      10.26870004       0.01773298       0.37828677      -0.18457327
Cl       2.29887994       7.99323004       7.28080003      -0.53038622       0.57942437       0.71004820
Cl       8.93143999       0.77959303       3.10013000       0.27321509       0.32522843      -0.11013287
Cl       8.65307995       9.31104998      11.38450006      -1.74867025       0.00244550       0.01901632
Cl       0.54779998       6.35659001       0.58491898       0.70997431       0.44144570       0.41907744
Cl       0.11899895       1.86542001       2.92203003       0.31185718       0.02849904       0.07876330
Cl      11.69739997       8.54509999       3.70665996       0.64452280      -0.29404233       0.46126538
Cl       7.03250002       3.12554005      10.88220000       1.57808203      -1.21144592       3.05804107
Cl       5.61732996       7.60676000       6.75326004      -0.50057791       0.40058614      -0.28884289
Cl       0.29705399      10.19409995      10.61160005      -0.38880193      -0.04956526      -0.36409582
Cl       4.82583006       9.88938005       9.22912002       1.05996495       2.82202854       2.26721357
Cl       8.17587996       6.02682005      10.21710001      -1.32653401       1.40542296      -0.90286755
Cl       4.03638003       3.63415999       0.99634106      -0.40335642      -0.48235106       0.10570744
Cl      10.69959997      12.37637306      12.34361316      -0.17304508      -0.06861006      -0.09336346
Cl       7.69763996      12.27530006       5.84000995      -1.40035653      -2.37607350      -1.99115517
Cl       4.83719006      12.33929998       3.75643000      -0.21851215      -0.06474431       0.10208809
Cl       6.97801994       7.88746004       2.67537995      -0.15882776       0.11413622      -0.16969316
Cl      10.33910000      10.11109994       7.73150006       0.36783867       0.11919775       0.17881734
Cl       2.88387995       1.47341000      10.34460001      -0.74844596      -0.17879912       2.78466405
Cl       9.97771998       2.22810994       7.48337006       0.11418416      -0.91854334      -0.37698400
Cl       2.38433002       6.60878006       4.44665997       0.72530157      -0.35784509      -0.91202005
K       10.62409995       7.47878002      11.76049997       0.52678182      -1.23824406      -0.33652284
K        8.43087994       9.51054005       5.56247004       0.14563993      -0.11561436      -0.01951493
K        2.00260004       4.33779995      10.97150003      -0.15660099       0.07135252       1.22562355
K        5.27044996       5.92742999       4.21015006       0.59854665       0.16233494       0.08172899
K        2.24552004       0.82031703       1.25959005       0.49367873      -0.22193525      -0.42057206
K        7.29207999      10.98419997       2.38687998      -0.25382589      -0.07212297      -0.20793292
K        2.92483997       3.37466999       3.98674996      -0.25624871      -0.32084851      -0.17171584
K        2.30683994       8.62594998      11.70060005       0.59352996      -0.38739109       0.01680049
K        3.62939995       1.19099005       8.04383994       0.61272929      -0.05008581      -2.97869378
K        9.78047002       6.84397000       3.08441003      -0.85708275      -1.11247415      -0.30018023
K       12.04340004      11.14599996       3.26565995       0.06557418       1.32229978      -0.16053602
K        9.52860994       4.92701996       7.21160004       1.10902449      -1.16762839       1.00188446
K       11.66140003       0.96181694       9.54416002       0.14721085       0.01302792       0.00478047
K        0.23452903       6.08586002       6.11447996      -0.50521049      -0.06689752       0.30490041
K        3.92453995       9.68331994       5.04617998      -0.18346229       0.20134775      -0.19020916
K        5.84147994       5.68409998       0.34783799       0.75209064       0.15917095       0.22584821
Li       8.48338001      12.33564944       7.47420003       2.34306891       0.41322228       3.71858523
Li       3.53183006       5.63145001       7.38705995      -0.13812823       0.24415442       0.47555026
Li       5.35281995      11.94349996      10.36110001       0.37525224       0.11279610       0.13336417
Li       5.91938002       1.92500994       1.32920997      -0.33895009       0.50403712       0.71814808
Li      11.60809994       1.72627994       5.10673001      -0.20420139       0.09514388       0.22850878
Li       1.82129999       7.92077996       2.47628003      -1.11532247      -1.33192267       0.44157295
Li       0.42499104       9.77410994       8.33707004      -0.41057765       0.00298932      -0.30337148
Li       9.24772004       4.29548994      10.85259998       0.18521856      -0.67227141       0.32176103
Li       6.91024999       6.11614006       7.69268001      -0.06534144      -0.16483362       0.01727691
Li      10.42309994      10.34779996      11.39330004       0.91486933       1.41745358      -0.26035936
Li       6.92770004       8.15267006      10.21450004       0.08771359       0.02868033       0.06661667
Li       7.04459998       1.46818995       4.99682005      -0.66808055       1.86569909      -1.82104666
Li       6.04232000       4.09386996       9.72008999      -2.35916212       2.42918955      -2.33438285
Li       7.77930995       1.27592998      11.48629999       0.54674671      -1.14739270       0.26246695
Li       4.29773997       8.45907996       8.16791003      -1.32295261      -2.37388633      -1.11478994
Li      10.63579996       3.56318003       2.36743999       0.61803929      -1.32801447      -0.58793260
64
Lattice="12.40919302 0.0 0.0 0.0 12.40919302 0.0 0.0 0.0 12.40919302" Properties=species:S:1:pos:R:3:forces:R:3 energy=-537.84906514 stress="-0.017723779083619995 0.001553861526675449 -0.002645528648323165 0.001553861526675449 -0.007368347469772292 0.002433672074214304 -0.002645528648323165 0.002433672074214304 -0.014888247463060222" free_energy=-537.84906514 pbc="T T T" config_type=melt 
Cl       9.97741000       5.14745004       0.00431927       1.53097620       1.61355744      -1.16891313
Cl       1.20720005       2.62230000       1.73893000      -0.72851832       0.88030811       0.38030732
Cl       3.71840005       6.41588995       7.34424004      -2.25978044       0.56328911      -0.86184520
Cl      11.84780001      12.11909996      10.43429998       0.03400766       0.39511719      -0.71134163
Cl       4.79825001       2.26067005       0.55728097      -0.20934475       1.50709437      -1.89411814
Cl       7.90099996       5.44947006       6.12211000       0.25138265       1.67679149       4.10230670
Cl       8.09933001       0.87495805       6.03692995      -0.10511498      -0.03898727       0.59646803
Cl       0.52220701       7.31153996      10.72979997      -1.30620356       0.16259079       0.13859921
Cl      11.24580003      11.82349996       6.01881997       0.01204260      -0.57917447       0.78627830
Cl       7.05431005       5.34193001       2.08162004      -0.13435709      -0.56202418      -0.25817359
Cl       2.05308001       3.19127999       9.45976994      -0.14212510       0.05347371      -0.05764787
Cl       0.30536704       2.75970004       5.15457999       2.25289277       0.30403851      -0.39934343
Cl       1.92474004      10.63179998       8.57263996       1.32571215      -2.55121628      -0.63289771
Cl       0.18593302      10.82540002       0.74590195       0.14943340      -0.19376625       1.89174240
Cl       9.65321003       0.95924005       2.63702996      -0.11016784      -0.18184414      -0.27670373
Cl       5.75493997      10.08309996       7.02514000      -1.18182306      -0.09874935      -1.17977948
Cl      10.53169999       5.13911999       8.34558002      -0.31115567      -0.67851231       0.65325098
Cl       9.97189002       4.16079001       3.17658998      -1.60811575       0.36460471       0.87264362
Cl       5.29184005       1.93330996       5.58813994       0.57361054       1.21050461      -0.55878144
Cl       8.46978996       2.75210003      11.10450002      -0.07849277       0.05452624      -0.58077832
Cl       3.37378000      11.90200002       4.05404005       0.04668702       0.56662036      -0.35246050
Cl       3.83254005       6.35725006       0.51505497       0.15677777      -0.06424364      -0.85304502
Cl       3.36498002      10.06580006      11.79349999      -0.62099338       0.45161281      -1.13786700
Cl       6.96016001      11.56190002      12.17900001      -0.09230286      -0.05676788       0.08293162
Cl       4.68465005       6.74609001       4.28706000       0.21302006       0.69394393      -0.30105451
Cl       0.22649296       6.15483006       3.46361003       2.71023211      -1.49226636       3.18607057
Cl       7.58074996       7.73786002      10.12829995       0.10147074      -0.35194954      -0.33011501
Cl       5.65685001       4.82501006       9.35938999       0.50732890      -1.46870923       1.49088294
Cl      10.02240002       9.30764006       3.27233001       0.33490775      -0.17309587       0.37754687
Cl      11.57109995       7.70610998       6.95787002       0.09733513       1.23484769      -2.87545374
Cl       6.90099000      10.97440006       3.63545998      -0.35775462      -0.85175037      -0.40717469
Cl       4.81155006       0.72370898       9.57600003       0.05756498       0.10075082      -0.24909414
K        4.82571006       9.13686003       1.41531003       0.44891026      -0.20277717       0.45919126
K        5.92411003       1.07415997       2.45670999       0.85975891      -0.82231249       1.59468424
K        8.33854996       8.00285995       6.91429997       0.30727329       0.85159175       0.59138756
K        3.07812006       4.77459995       2.79873998       0.15975554      -0.14434856       0.19825142
K        3.03361002       7.22973000       9.87720006       1.02593526       0.46672493       0.63734596
K        0.24934697       0.18278704       3.85490005       0.20629414      -0.03135558      -1.38707247
K        0.32063704       4.50809999      11.75460002       0.44333291      -0.30162634      -0.37488180
K        2.35057999       0.94436801       0.00256994       0.02673092      -1.24328082      -0.89470550
K       11.37350005       7.08024997       1.72632003      -2.26526685       2.16869723      -3.28141350
K        1.04166998       5.03910996       6.77695006      -0.02794834       0.25888205       0.11766270
K        3.06135003       9.37672998       4.98205001       0.26021203      -1.12549765       0.67077327
K        9.84336006      11.37880002       0.23470797       0.05230417       0.11405507       0.22643435
K        7.18386996      10.43269994       9.14752002       0.82265641       0.83245351       1.66331246
K        2.84936006       1.41056997       6.33672004      -1.08627266      -0.13677060       0.55263119
K       10.30840003       2.59886002       5.86996004      -1.35436655      -0.07542393       0.42703138
K        7.50107003       7.82537002       3.45481998      -0.29622524       0.02966925       0.03253823
Li       4.23627004       2.93421995       9.94618003       0.05596083      -0.20488885      -0.02311359
Li       5.88545999      12.23019997       5.13777000      -0.06402855      -0.24408402       0.83826249
Li       3.91669002      11.20450000       8.84775996       0.93110538       0.02198604       0.29704537
Li       8.81613997       4.07247006       1.15869996      -1.23414498      -0.99656839       1.30631932
Li       8.70872004      12.07029994       4.19172005       0.77368845       0.04286111       0.21264974
Li      11.65489997       7.24380996       8.80202005      -0.04396527      -0.82382188       2.76189755
Li       5.55934999       5.94223999       7.67874002       1.67139340       0.26333168      -0.92007185
Li       9.27377004       4.77213002      10.34179999       0.06009553       0.26634321      -0.19951073
Li       0.76043200      12.10170004       8.60606995      -2.57018432       2.18815451       0.14000245
Li      11.88929995       3.89843994       2.62286002       1.40382614      -0.36756719       0.33974696
Li       5.62166995       5.38825998      11.72844206       0.07479820       0.16638000       0.47360326
Li       7.12385997       1.35653997      11.96920001      -0.85303950      -0.32142916      -0.11211068
Li      11.51120003       8.71381004       4.94693001      -0.25613588       0.22011437      -0.15823803
Li       7.62138994       4.44805005       4.68171999      -0.87809570      -2.78816945      -4.89366715
Li       7.62056001       3.29040996       7.90398995      -0.32689352      -0.14969326      -0.03150620
Li       0.89435102      10.49469999      11.25050001       0.56340335      -0.40224410      -0.73691999
64
Lattice="12.40919302 0.0 0.0 0.0 12.40919302 0.0 0.0 0.0 12.40919302" Properties=species:S:1:pos:R:3:forces:R:3 energy=-536.12908489 stress="-0.009516240358311438 -0.0030786377706205014 0.005439408394093576 -0.0030786377706205014 -0.0201810449236584 0.002903367537392542 0.005439408394093576 0.002903367537392542 -0.014061323500495809" free_energy=-536.12908489 pbc="T T T" config_type=melt 
Cl       0.16730694       7.97473005      11.34390003      -1.74991090       0.63427580       1.00836532
Cl       4.68638994       9.65150997       3.60303004      -1.83576608      -2.48617115       1.79839246
Cl       9.90679995      11.69739997       6.31955999       0.28079300      -0.32933042       0.28060966
Cl       2.44509995       6.68109004       9.94767000       0.74966744      -1.15598946      -1.32468481
Cl      10.82249999       7.29576006       7.86619006       0.23587597       3.30070406      -0.04262291
Cl       9.16274995       7.21425995       0.91454996      -0.06745769       0.05187201       0.02500832
Cl       8.66282005       8.97972006       4.42286001      -0.11295760      -1.21778440      -0.29098818
Cl       7.91894005       3.35736996       5.68662997       0.45240520       0.52818760       0.11168918
Cl       2.48007005      10.16570002       9.98854005       0.39968687       0.96691260       0.82434642
Cl       2.00504998       2.49114004      11.89349997      -0.15015667      -0.30138791      -0.21257463
Cl       8.66501995       0.48325902       3.49745002      -0.80856927       1.13926029      -0.78484302
Cl       9.79521996       5.02550998       9.18361005      -2.06881893      -4.86612617       2.75856477
Cl      10.43979998       1.73973995      10.82630006       0.32482200       1.32718778       2.06574184
Cl       5.56519001       0.05020697       9.59892006      -0.15983356       0.20728106      -0.60550707
Cl      12.32090000       8.77597005       5.65492994       0.62883050       0.50432751      -0.91778549
Cl       5.02159004       6.98805997       5.63155003       1.66255900      -0.74022155       1.45258734
Cl       7.42798001       7.60383006       9.72027998      -1.04962500       0.02458440      -0.30685747
Cl       0.04435803       3.08897996       6.88852000      -0.27816338      -0.05223954       0.92102140
Cl      11.84469995       3.67809995       1.45197994       0.02497310       1.66212658      -1.31641895
Cl      11.07090002       5.78334995       4.44593999      -1.03444766       1.62773466       1.06075436
Cl       9.08254996      10.88320006      10.40450005       0.10815447      -0.26689904      -0.24771345
Cl       3.40514995       3.35915006       6.60405997       0.56256104       0.11725845      -0.43151746
Cl       5.42286004       4.47192000      11.15320002       0.03732200      -0.63072959      -1.32457513
Cl       4.39732003       0.79019905       3.89166005       0.52310959      -0.27714127      -0.29552540
Cl       3.36739994       7.49022005       0.66261405      -0.02402866       1.69424817       0.37798842
Cl       2.21098005      11.54630005       6.21488001      -0.12376833       0.31939644      -0.00835268
Cl       6.25522999      10.73239994       1.08561999       0.40387090       1.08198609       1.88280166
Cl      11.57580006      10.94820003       2.89875001       0.73749550       0.74013104       0.21863588
Cl       1.23474995       2.43375000       3.57977000       0.34681768       0.06119828       0.40007273
Cl       2.12043997       5.88053999       3.82487998       0.39051594       0.82991087      -0.15251752
Cl       5.60294001       3.66082002       2.67918994       0.22921785       1.26072965       0.61233058
Cl      12.18643907      12.15360000       9.54928999       1.21221462       0.11636825      -0.59638496
K       11.87000006       8.21261998       2.53342995      -0.13587702      -0.98591052      -0.19664207
K        7.99369005       4.87233996      11.75870002       0.92521989       0.06672059       0.26655581
K        2.01101000      10.58839995       0.97988398       0.12266820       0.07381428       0.16075498
K        1.70763997       6.99652999       6.66462006       0.16947795      -0.72355075       0.87210862
K        5.01233998       1.70722004       0.92243997      -0.25250582      -1.04194827      -0.94093564
K       12.04730000       4.83188996      11.03510000       0.42226137       0.12444478       0.35986778
K        3.04623997       3.62138001       9.45501995       0.28408663       0.25655055       0.14563743
K        6.15118002       1.34348004       6.33061000      -0.81618997      -0.59055747       0.56069647
K        9.79260001      10.60520001       0.80906598      -0.91833237      -0.19095523      -0.60542752
K        6.35442002       7.72404995       2.44176994       0.64213886      -0.25550579      -0.41093557
K        9.45137996       1.34685001       8.38092996      -0.20085715      -0.19235974      -0.59738093
K        6.18594003       9.97715003      11.15530003      -0.00139337      -0.76562280      -2.71458558
K        5.40438995       5.75671994       8.10799001       0.23518811      -0.24494096       0.75300094
K        3.84062998       4.87264002       0.77054698      -1.40507610      -0.27622692       0.57051244
K       10.57590004       3.27972006       3.67479005      -1.49901742      -1.92434561       1.61486495
K        6.82721995       9.53729997       6.51968999      -0.04642001       0.01340254       0.45302949
Li       7.15082006       2.53613999       3.79447001       0.23185434      -0.48071200      -0.09630942
Li      10.81100002       5.40296003       7.70207005       1.88581737      -1.87400125      -3.25637648
Li       3.72669001       7.66085998       4.42219003      -1.74943307       1.11856170      -2.11844199
Li       2.87061006      10.77110000       8.16989005       0.31370257       0.88415472      -1.26255873
Li       9.32286999       6.76645002       9.75329997       0.25104136       2.91933067       0.38672244
Li       9.22809006      10.98540006       4.28048995       0.84867754       0.58728062       0.23231115
Li      11.70959995       1.68736000       0.88780703       0.09517267      -0.57233777      -0.90337884
Li       5.34811996      11.28220004       2.95001996       0.84267976       2.71751312      -0.43118111
Li       1.67738996       1.75638998       5.76089998       0.15192854       0.11392754      -0.15409046
Li       0.14954306       4.91184004       3.42878003       1.62087652      -0.95112807      -0.87669140
Li       0.05003225      10.89590000       5.71667002      -0.40085107       0.74463467      -0.05644266
Li       3.45562000       4.14512005       4.06468999       0.11582034      -0.96504146       0.51212986
Li       2.15502005       8.67396003      11.22549995       0.34895562      -2.34218367       0.51600500
Li      11.21030006      10.41489995       9.55779996      -1.02830141      -1.32425428       0.13875225
Li       0.70310699       1.58249996       9.31005998      -0.32785628       0.41186535       0.05300458
Li      10.42869996       7.78912997       5.60171001      -0.57284554      -0.20227967       0.08538300
64
Lattice="12.40919302 0.0 0.0 0.0 12.40919302 0.0 0.0 0.0 12.40919302" Properties=species:S:1:pos:R:3:forces:R:3 energy=-538.98429962 stress="-0.01391585048773669 -0.005001133343213493 0.003332683245205422 -0.005001133343213493 -0.010705106857342554 0.0018864624353904442 0.003332683245205422 0.0018864624353904442 -0.012991182101762947" free_energy=-538.98429962 pbc="T T T" config_type=melt 
Cl       3.41520996       2.12429997       0.34469897      -0.11680542       0.14756898      -0.21382300
Cl       5.13778997       2.60388004       8.50271999       0.01331498      -0.16298853      -1.16011700
Cl       1.62236003      11.97929998       3.20467000      -0.08490121       0.86646972      -0.18959398
Cl       7.43083003       4.10541994       5.56604996      -0.42876403      -2.11191060       1.29755092
Cl       1.61459001       2.67921997       8.69565998      -0.51673119      -0.69561395       0.28645042
Cl       5.46435998       5.87281998      10.80729997      -1.38830259      -1.03439833       0.47952313
Cl       0.83876404      10.47570003       9.18845001      -0.30931778      -1.12026922      -0.97257907
Cl       8.73414995       1.16436004       8.03020001       1.13508005       0.42058440      -2.69709011
Cl      10.19969997       7.22643995       8.77578006      -0.21609024       0.53196047      -0.09479302
Cl       0.63896300       4.11091995       4.24003996       2.85274851       1.26750761       0.75738912
Cl      11.91199996      10.74640000       0.79359594       0.12835374      -0.09289759       0.84164903
Cl       0.11357303       6.28129997       6.77337001       0.16469183       0.37701916      -0.85239827
Cl       6.07004003      11.23630005       3.34291003       0.30725822       1.02277665      -1.61431790
Cl       6.11163999       7.39410999       7.40302996      -0.14260404       0.13985321       0.83585425
Cl       3.04179004       9.07851995       1.42761003       0.39472121       0.88230861      -0.44883244
Cl       4.17177996       3.28621999       4.37639999      -2.24274808      -0.86368062       0.32499012
Cl       2.93322002       7.09375006       6.02055999       2.49964012       1.89019434       1.26718622
Cl      11.46590002      10.36439999       6.28136003      -0.04700963       0.22344425      -0.62051465
Cl      10.15709995       3.85770999       9.76798005       0.19732014      -0.23835843       0.18729245
Cl      12.13769998       3.13728002       1.36678004       0.04234446      -0.35372294      -0.45488772
Cl       0.68486498       5.61597004      10.22519999       0.71596368       0.22639936       0.68473980
Cl      10.03709995       0.94792498       3.24129003       0.95751405       0.17438049      -0.60030301
Cl       5.22529005      11.47010004       6.46912005       1.25394951      -1.31102441       0.59532287
Cl       5.72065002       6.41472001       4.06118998       0.74601013       0.22898133      -3.89360768
Cl       9.03845004       5.13934001       2.96241997       0.49780093      -0.15634493      -0.62262381
Cl       7.31027000       1.83260998      11.15580000       0.04403057      -0.04257409       0.26978672
Cl       9.52706003       8.30117000      11.99899995       0.41228151       0.39029346       0.82789204
Cl       5.13636999      10.32369995      11.19829999      -0.36539494       0.10492901       0.07109777
Cl      11.26360002       0.68390202      11.08569997       0.01185836       0.62091617      -0.18677503
Cl       0.82815405       7.80641994       3.11637003      -1.03780576      -1.34713675       0.39603863
Cl       8.68096998       7.74573005       5.24576001       0.17328980       1.41805710       0.39605500
Cl       8.60124997      10.61970003       9.86576995       0.46586602      -0.29242583      -0.27681367
K        9.41456995      11.21710005       0.17688002      -1.50441843       0.50904324      -0.30679175
K        3.42343998       7.93577995       9.69943998      -0.07933221       0.31864340       0.01864016
K        3.72928005       6.32140002       1.32799002       0.21342051      -0.33344051      -0.00772937
K        7.04109996       7.98529002      10.75439995       0.57067758       1.28453661      -0.40531341
K       11.64939997       0.86078800       8.04289995       0.44512900      -0.33383706      -0.01064795
K        1.95747996       9.65020998       4.81068998       0.09942877       0.56141442       0.34203723
K        6.62617005      12.39943877       8.79925999      -1.75325653      -0.69544880       1.46305764
K        7.91546994       0.73235396       4.80540999      -1.02558234       0.20738224       1.01733970
K       10.10629994       9.07764001       3.39552997       0.73962850       0.14466557      -0.57270570
K       10.77699995       5.88347998      12.34510003       0.37916957      -0.65470659      -0.07982737
K        8.63667003       9.88065006       7.02551005       0.05860888      -0.07364122       0.62994714
K        5.68590999       9.31251005       5.05845006       0.07920953      -2.32755278      -0.08243587
K        8.55671003       2.89347995       1.16759996       0.26493519      -0.11100571      -0.18384523
K        1.52947002      11.54360006      11.52789995       1.07431435       0.82448647       0.44397352
K        3.10153000       4.80236998       7.73021000      -0.02960381      -0.19529021       0.24406476
K        7.24144998       4.80569999       8.81436000       0.67480078      -0.35744458      -0.37367331
Li       0.08701736       2.88546002      11.24780002      -0.11054900       0.07371282      -0.25831658
Li       1.72898006       6.09708996       4.92870996      -2.44696968      -1.17951230      -1.48190932
Li      10.64489999       9.08307995       9.92971998      -0.34148068       0.12025986       0.27267675
Li      12.12840003       0.76472099       2.15273998       0.20529905      -0.30046012      -0.11147158
Li       4.44132005      11.20940002       1.46095005       0.07682607      -0.33713622      -0.09695305
Li       4.30202996       2.74947995      10.42010002      -0.38271116      -0.12593043       1.29257496
Li       4.11453996       0.56083100       6.57799000      -1.79272574       2.95727661       0.27031796
Li       5.10398001       6.28365995       5.80845995      -0.92222049      -0.29903615       2.66505782
Li       0.67232896       9.18660998       1.49602005       0.97172046      -0.23366509       0.09746690
Li       2.04884004       2.99955994       2.91258006       0.40509613      -0.46942619      -0.36467682
Li      12.32230000       8.62890994       7.34882003      -0.32764041      -0.53323439       0.52017234
Li      11.36380004       3.29470999       4.11593996      -3.04026647      -1.05061860      -0.81049447
Li      11.92610003       5.03949006       8.37132996      -0.59547537      -0.19811966       0.94110580
Li       5.97773996       3.85601005       3.92108994       1.60501280       1.21046366      -0.25212370
Li       9.28144004       1.56830000       9.93526999       0.31206878       0.62088603       1.56458644
Li       8.16574004       5.85800006       4.94267998       0.05932349      -0.13356236      -1.00385178
64
Lattice="12.40919302 0.0 0.0 0.0 12.40919302 0.0 0.0 0.0 12.40919302" Properties=species:S:1:pos:R:3:forces:R:3 energy=-536.0394004 stress="-0.0129618474208109 0.0006235089421671831 -0.0010173424695125847 0.0006235089421671831 -0.0158805873894824 -0.005537461460129178 -0.0010173424695125847 -0.005537461460129178 -0.0166501244267813" free_energy=-536.0394004 pbc="T T T" config_type=melt 
Cl       0.42709501       9.23406000       6.30240999      -4.85408231      -0.75243442       0.68504539
Cl      10.38030001       4.01887997      11.81199999       0.18863654      -0.30149453       0.15274979
Cl       2.27497996       3.16891999       4.62999004      -0.52106493       0.80640449       0.23972525
Cl       6.56159001      11.38520006       9.12878996      -0.41643899      -1.31917432       0.52888758
Cl       9.41555996       0.35748105       6.08162004       0.38687450      -0.64418910      -0.06838745
Cl       9.63131996       9.26079002       6.41979996      -1.41510764      -0.84111686       0.47638439
Cl       3.02063001       3.73941998       0.59205004      -0.63993532       0.36291741       0.35446151
Cl       5.69783001       4.04198998       2.34634995      -0.95714507       0.21786830       0.71571741
Cl       6.65728995       6.82668996      11.25970006       0.33416106      -0.17628330      -1.26619425
Cl       4.86237997       4.76943003       6.83327998      -0.52907429       0.15442163       0.59395827
Cl       5.74519999       9.30756002       0.83067498      -0.96414864       0.72157611       0.29418153
Cl       9.83083000      11.97039998      11.80900006      -2.96371704      -0.97887311      -4.12528235
Cl       3.34340999      10.18780005       4.74381001       1.56662749      -0.22134807      -1.00043733
Cl       7.31203000       2.51082003       4.67592006       0.09540396       0.80206304       0.74141563
Cl       3.50382003       0.47336195       6.93875998       0.05946802       0.18156030      -1.08604437
Cl       0.95553603       8.68976996       0.74236806      -0.10381010      -0.09321007       0.40264721
Cl       2.27796003       6.66763996       3.54032999       0.48524146      -0.10216430      -0.78974121
Cl       0.62216405      11.32760006       3.62402999       0.40105869      -1.64914474      -0.89336877
Cl       9.57123999       8.73510000      10.27750002      -0.10539497       0.05814121      -0.08741455
Cl      10.24460003       3.00602004       8.02852005      -0.19025111      -0.26991263      -1.02825117
Cl       2.39149000       9.50646003      10.11160003       1.93382596       0.42923465       0.20506973
Cl       3.03050003      12.01959995       0.66724206       0.18235037       0.58403493       0.70761025
Cl       7.88088999       5.72328002       7.73834001       0.76167505      -0.26155675       0.08950795
Cl       6.85083005      11.87689994       3.29101999      -0.81200195      -0.88952938      -3.65231296
Cl       5.47069996       8.52246996       7.42150998       0.07604289      -0.21595108      -0.81261731
Cl       1.00048002       0.72938296       9.87515999      -0.16520381      -0.09941125      -0.26475156
Cl      12.34320006       5.05413998       9.07275997       0.36773400       1.43238237      -0.09211784
Cl       7.17556995       3.20632005      10.54129999       0.18554284       0.01923328      -0.04495471
Cl      10.80890001       2.35158998       2.85392999      -1.14505230       1.55204000      -0.68958990
Cl      10.40640002       6.14822998       5.33159005       0.14385166      -0.81008350      -0.06531703
Cl       4.37773000       1.24835998      10.38209997       2.06367517      -0.94741353      -2.33275646
Cl       8.38584003       6.71807006       2.36520001       0.33273456       0.85646515      -0.12158175
K       12.06009996       0.98469106       4.59738997       0.13592409       1.48940910       2.25959709
K        6.64384000       1.42957999       8.14492995      -0.19370729       1.54627908      -0.40601231
K        2.12164006       7.44501001       6.21802996       2.20810275      -2.34456423       0.37976874
K        3.40601996       1.09945003       3.43495000       0.60401883      -1.41913262      -0.70331972
K       11.61070004       5.24012003       2.64917000       0.17137043       0.27424313       0.30575041
K        6.24899003      11.25210005       5.60140996      -0.90607008      -0.99187880       3.13773730
K        0.64368494       3.20511996      11.31259995      -0.07004744       0.00991597      -0.12265756
K        1.17032998       2.96668005       7.54704001       0.34212339      -0.41925754       0.02191940
K        8.26256996       4.22288003       1.29232004      -0.19981188      -0.79340261      -0.28684277
K        6.96832997      12.21290006       0.06970703      -0.61015933       0.11985115      -0.19142542
K        9.39941994      11.27499998       8.96119996       0.31736542       0.03564167      -0.14429072
K        0.18610700       8.82356005       8.98710006      -1.70922576      -0.59233641       0.60749750
K        5.11805998       8.47125003       3.50370996       0.69404632      -0.77601691      -0.01044493
K       11.04509994       0.13174195       1.23506005       3.18507934       0.54124675       3.69418113
K        4.47183996       6.36552004       0.35429102      -0.71234745      -0.03266721       0.56519724
K       10.51589998       6.86330005      12.04870001       0.14660579       0.16151604       0.23559840
Li       3.54285005       4.34163998       3.03072004      -0.47409776       0.38139778      -0.22111000
Li       3.45444001       2.06032003      11.75439999      -1.38588543       0.43460808       2.36549040
Li       7.91807997       7.49328004       6.49804998       0.11904899       0.43086318       0.10033440
Li       9.29851000       3.83960001       5.71129994      -0.22981747       0.14945425       0.34061409
Li       6.25811997       5.35559005       9.31694001       0.42486776      -0.25386269      -0.11173194
Li       2.07260997       9.55031995       2.72537001      -0.56757630       0.04908490      -0.11647065
Li       8.06639005       0.59819905       4.26142000       1.93714341       1.16671177       0.75807194
Li       1.90043999      10.46779996      12.14950001      -0.07514864      -0.27348558      -0.57349889
Li       3.65778002      12.22339998       8.91756006      -0.41768499      -0.50922057       0.84821789
Li      10.86759996      10.78960000       5.97624006       0.44255869       0.46983252      -0.52813741
Li       9.42633995       2.76886001      10.01439994      -0.27274378       0.48691520       0.57546156
Li       5.46674999       8.91649994       9.55425999       0.09609295       0.33251872       0.22513629
Li       1.75370997      10.36159998       5.90139004       2.16284380       3.73357659      -0.40199992
Li       5.42739994       3.62406995       5.16699997       0.16922707       0.02446787      -0.44339721
Li       7.41088002       8.66441996      12.26290005       1.20745147      -0.59988144      -0.46871200
Li      10.61000001       5.88045002       7.52859002      -0.32202267      -0.43687902       0.54323674
64
Lattice="12.40919302 0.0 0.0 0.0 12.40919302 0.0 0.0 0.0 12.40919302" Properties=species:S:1:pos:R:3:forces:R:3 energy=-533.59887556 stress="-0.01703936536433075 -0.0056719061756515185 -0.0050914032099200635 -0.0056719061756515185 -0.017003436866028697 3.6666737759952214e-05 -0.0050914032099200635 3.6666737759952214e-05 -0.019584881899182935" free_energy=-533.59887556 pbc="T T T" config_type=melt 
Cl      10.32630004      11.80639996       9.85860997       1.71532383       0.92972321      -0.72943661
Cl       4.16060995       9.72063004       4.39939000       0.81367290       1.30502534      -1.66247326
Cl       4.10278001       6.67069002       0.76712303       0.48298693       1.06742691      -0.00870617
Cl       8.85441997       7.43344998      10.90500003       0.27561515       0.35386090       0.85570398
Cl       9.41736996       3.70267996       1.90452001       1.02744829       0.35698953       0.46482571
Cl       7.73796996       3.75873997      10.60909997       3.84938897       3.36277711       2.69811027
Cl       1.94351999       9.20792003       6.82724005      -0.88881750      -1.88972096      -0.06270454
Cl       7.11342000       1.35124001       4.77092000      -0.54456845      -0.16340070       0.00060994
Cl       3.13405996       2.17801999       6.37030999       1.36713477      -0.36266764      -0.15522509
Cl       2.41795000       7.27045995       3.53506998      -0.28387284      -0.43694552       0.63443969
Cl       5.81318996       9.36027998      12.10529995      -0.04146313       0.56852136       0.06761906
Cl       7.66656995       9.11648004       3.33100998      -0.39864214      -0.00987323      -0.38407920
Cl      11.86310005       9.09197002      11.94019998      -0.61246282       2.05569514       0.04823332
Cl      11.28900003       4.82307001      11.66159995      -0.38574080       0.13904120      -3.96386397
Cl      11.13299997       1.24306994       6.63184006      -1.02591555       0.26506130      -1.25202452
Cl       3.88627000       7.98988006       9.33682003      -0.66431267      -1.16636743      -0.00655571
Cl      10.98990001       5.94457006       6.98576998       1.19777657       1.31223194       0.75176188
Cl       2.21230994       4.52157005       8.39250005      -0.15408312      -0.35736077      -0.08675943
Cl       6.91371997       3.40087994       7.59917997       0.32549098       0.58012317       1.20055489
Cl      10.03390000       0.44519097       1.46955000      -0.67678399       1.00828915      -0.32849038
Cl       6.47046000       1.22030999       1.05343997      -0.68806934      -0.22075982       0.07323832
Cl       6.85107005       0.35699399      10.35669996      -1.72389044      -2.59016547      -1.45737670
Cl       1.38270004       6.48137996      11.66529999       0.31105764       0.58232705       0.16696056
Cl       2.46094003       0.02110692       8.80417006       0.42831878      -0.47345017       0.14344997
Cl       3.04970003      12.27120006      11.93469998       0.87252092      -0.00180177       0.37800858
Cl       1.16672002      11.41920001       2.61288005      -0.80103736      -0.72189270      -0.35496647
Cl       6.50040996       5.23722000       3.33726000      -0.26413956      -0.09909396      -0.14742369
Cl       1.25780002       2.05595001       3.16150003      -0.48362115       0.69165745      -0.38731589
Cl       9.69639998      11.88389997       4.60616997       0.04138973      -1.15163014       0.08284461
Cl      11.52990006       7.24520997       2.26286003       0.52339224      -0.42933366       0.24176710
Cl       6.75254999       9.27261003       6.78175006       0.36895983       0.55803439       0.28176280
Cl       4.59135997       4.03103998      11.09850005      -0.60111404      -0.21864636      -0.62455514
K        8.41389995       7.43201002       8.33410003      -0.02322719      -0.20078809      -1.00523459
K        4.99694005      10.34760005       8.89131995       0.45567085       1.09471038       0.18290677
K       11.99050002       9.29053994       4.39891994       0.07291576       0.17273807      -0.44081368
K        0.27659595       1.63787003       8.54907999       0.61735260       0.86578467       1.73699538
K        9.22276999      10.62609994      11.84149999      -1.51622295      -1.15483618       1.30169125
K        0.92177496       1.59764005      12.05350001      -0.26778238       0.37370017       0.62488629
K        9.07538998       6.46521997       1.23687006      -0.94313635       0.36112679       0.22244259
K        1.19706000       6.48585000       6.17161002       0.51318387      -0.01130775      -0.08849976
K        4.76731004       7.41419997       5.44167002       0.49248818      -1.08515312       0.32313075
K        3.92022006       0.41161405       3.52497994       0.00758686       0.20047915      -0.65831398
K        0.46064997      10.12769997       8.83395002      -0.84201388       0.28604357       0.83968302
K        0.61152801       3.12609003       5.68302001      -0.08214643       0.69905522      -0.28834803
K        2.10998001       9.60492003      11.60259994       1.05354359      -0.32881234       0.44354718
K        3.02681996      11.35700005       6.12337003       0.21747124       2.25927756      -0.16267920
K        9.11588006       4.47391006       6.25958003      -1.27838569      -1.43617819      -1.40910894
K        8.88135003      11.92600002       7.58433001      -0.69205564       0.16746846      -0.86655208
Li       5.25124003       4.97697006       0.73451503       0.79498269      -1.12237268       0.47360080
Li       7.44549000      11.19500002       4.60548995       0.20508335      -0.43839916      -0.50132877
Li       6.00713001       2.80488998       6.02084006      -1.44964735      -0.86263137      -2.42263708
Li       2.01514002       6.67776996       1.50817001      -0.73491900      -0.01056335      -0.02845412
Li       3.92849997       2.63685002       8.58452002      -0.81449867       0.06153836      -0.23081785
Li       5.35139003       8.43908999       2.17070998       0.34049625       0.29030468       0.18006667
Li       6.31475999       3.43657995       9.57494996      -3.47955046      -0.29290858      -1.14736531
Li      11.29980000       4.36611004       1.00439003       0.08286300      -0.74620484       3.93363606
Li       7.90724004       1.87862996      10.68109997       2.08372514      -0.41958648       1.19905285
Li      11.01110000       0.97759697       3.60887998       0.28292264      -0.11858171      -0.21443239
Li       2.59691004       5.31287004      10.40360001       0.64958944      -0.09515658      -0.21469134
Li       4.98102998       7.49009001      11.11540001       0.24763392       0.01720995       0.52543465
Li      11.65909999       7.11827000      11.44159997      -0.57141083      -1.22518339      -0.06319640
Li       7.82631994       2.44996001       2.08999004      -0.54444275      -0.45936118       0.69893257
Li      11.40920006      11.47859996       1.17073998       1.97885676      -1.52619006       0.44755582
Li       5.40805004      12.21160305      12.08650002      -0.21886920      -0.15889685       0.13097695
64
Lattice="12.40919302 0.0 0.0 0.0 12.40919302 0.0 0.0 0.0 12.40919302" Properties=species:S:1:pos:R:3:forces:R:3 energy=-538.339443 stress="-0.0032318806071545943 0.00018107825706203192 0.0009718670087836549 0.00018107825706203192 -0.012472109161112533 -0.0008307685449406853 0.0009718670087836549 -0.0008307685449406853 -0.006904336673241762" free_energy=-538.339443 pbc="T T T" config_type=melt 
Cl       6.38672996       5.59161997       5.82153006       0.50975424      -0.21384748      -0.91221317
Cl      10.50470006       1.84350004       5.16723997      -0.45829660      -1.53195185      -1.43938010
Cl       0.15882501      11.29899998       1.22951997       0.23177801      -0.18352636      -0.22050747
Cl       4.52711001       7.59717005       4.21910999      -1.61864630       0.55652665       0.05823003
Cl       1.51261002       2.60381005      11.94279995       0.51769433      -0.30617581      -0.53231692
Cl       8.00037997       6.56628999       2.03345004      -0.35932223      -0.26210016       1.19684291
Cl      10.01970003       8.61817003       9.78136001       0.22961097      -0.36082019      -0.39317807
Cl       3.19261000       9.81441004       2.01816005       0.55844272      -0.29405235      -1.51584733
Cl       0.44687700       6.17943997       8.21337000       0.17327786       0.07327528      -0.18326403
Cl       4.24129999       6.91052001      11.72479997      -0.02051607       0.16489594      -0.32473402
Cl       8.36476997      10.96019997       1.14637006       0.31775210       1.52943976       1.27483389
Cl       7.53588005       8.81523000      11.89619996      -1.14910685      -1.05893951       0.23328244
Cl       5.24531005       0.70956001       2.66901999       0.08280975       1.39697742       2.50645239
Cl       3.79276003       6.35819998       7.96088995      -1.26234502       0.89971754       0.49675847
Cl       1.24844002      10.83900000       9.89092996      -0.13060018      -0.19838908      -0.09825972
Cl      11.24489999       5.94406997       0.32527299      -0.81552669      -0.71108969      -0.80095448
Cl       6.20403003       3.75866999       0.45374003      -0.19326812      -0.00851571       0.25759396
Cl       4.78417004      11.87450000      11.26010001      -0.27637781      -0.71233728       0.27164809
Cl      10.00450001       4.92320003       5.50514999      -0.15131781       1.12630851      -0.20000750
Cl       8.56564006      10.60019997       4.63790003      -0.18136658      -0.00795953       0.93145568
Cl      12.37069995       4.26603995       3.28321995       1.58506918      -1.40345596      -0.35074626
Cl      10.40939994       2.43414995       8.24772001       0.02991122       0.45733369       1.86421769
Cl       3.81647995       3.09469005       4.78646003       0.16429374       0.60202797       0.59198919
Cl       8.34925997      12.21670000       9.30431998      -0.01496946      -0.79377482      -0.64211282
Cl       5.78206994       3.31377001       8.38857006      -0.53948664      -0.08387344       0.13747603
Cl       9.98574997       1.63389996       0.98113198      -1.04932043       2.24542017      -1.19221968
Cl       0.59275005       7.47717005       2.19913001       0.23847971      -0.40866547      -0.45338932
Cl       1.99510004       0.60216602       6.05842999      -0.88098100       0.41929880       1.33319524
Cl       5.05147994      12.31090005       7.15351000       0.75912816      -1.92861957       0.58621200
Cl       7.82496002       5.85631005      10.63830004       0.07894210      -0.56435657      -0.36683205
Cl       6.73504000       8.96585999       8.08597995      -0.21146258       0.54921622      -0.20608355
Cl       0.83972997       8.50963998       5.07343999      -0.29799018       1.37366330       0.73097056
K        8.35518995       6.42112998       7.57616997      -0.02476113       0.51115083       0.31367271
K       10.36899995      11.13340004      10.98730003       0.52328307       0.30833172       0.91737604
K       10.51200002       5.43526005       9.57619994       0.25264579      -0.24393663       0.48774901
K        3.15045002       1.25616002       8.81084000      -0.18927483      -0.05074330       0.80924836
K        2.24421000       6.19897006       5.30829998      -0.40230467      -1.25761672       0.29791936
K       11.26280000       9.47771996       7.37659999       0.44110261      -1.05252124      -0.23916506
K       10.82150006       9.19690998       2.59929000      -0.47343620       0.23122812       0.07071321
K        3.93017000       8.84992003       6.91279995      -0.03130412       0.99698362      -0.22903030
K        2.80830995       3.34984999       2.05870994       0.33135172       0.01795519      -0.04831031
K        1.26429003       7.46192995      11.57329997      -0.41347533      -0.13681620      -0.09019028
K        8.26101001       2.84680997       6.56690995      -0.73669855       0.13234677       0.04993624
K        8.11383995       3.27945003       2.85973005       0.02797448       0.40365862      -0.16004446
K        0.06425914       3.22984999       6.56757000       0.68993666       0.76781478      -0.50836865
K        7.93565002       2.02942995      10.94280005      -0.29289520       0.63055631       0.26193674
K        2.39442999      11.65969997       3.79676000      -0.14755553       0.06956060      -0.38717382
K       11.30429994      12.38090006       7.26204006       0.07918782       0.41543406      -0.17022813
Li       4.74777003       4.90808998       7.02937998       1.04399249      -1.71803145      -0.97284726
Li       8.86584996       6.84921996       0.15529001       0.82195292       0.33428154      -1.28111415
Li       2.56473996       7.82147006       2.89605995       0.42745898       0.81563483       0.01291128
Li       6.49951004       6.08183001       0.01654865      -0.44511850      -0.17698675       0.11020360
Li      12.23149995       3.45088998       0.38427201      -1.12061587       0.62294504       0.67565396
Li       4.65739003       9.25339005      11.10969997       0.74012412       0.10397522       0.38917374
Li       6.72595994      11.12119994       6.40218995       0.74372052      -0.74231011       0.35598913
Li      10.97469999       5.71086003       3.36821001      -0.62118745       0.71066224       0.12971391
Li       7.81746996      12.17539998       3.32311997      -0.07219478      -0.35082169      -0.90738935
Li       7.65587000       9.98188004      10.18119997       0.06350026       0.26537788      -1.20602948
Li       4.45791002       5.54262004       9.72545995       0.71376143      -0.42286577       1.20484973
Li       6.39613005       7.24877004       3.59543003       1.46329187      -0.57378411      -0.20613395
Li       4.78841001       1.55565999       6.13977994      -0.67292787       1.84724935      -1.22179732
Li       1.99459995      10.94649997      12.03150000       0.11073572       0.47999370       0.49743986
Li       5.64105001      11.99470004       1.19741999       0.56749006      -1.95855751      -2.67316282
Li      10.99099996       0.22152196       1.78305002       0.73619596      -1.34179936       1.07738638
64
Lattice="12.40919302 0.0 0.0 0.0 12.40919302 0.0 0.0 0.0 12.40919302" Properties=species:S:1:pos:R:3:forces:R:3 energy=-536.81054374 stress="-0.020441372558318134 -0.0013253029862211807 0.005822027358845355 -0.0013253029862211807 -0.01824026805821682 0.004131048596062501 0.005822027358845355 0.004131048596062501 -0.011953495732846984" free_energy=-536.81054374 pbc="T T T" config_type=melt 
Cl       1.90532003      10.86720002       1.85664001       0.24213739       1.79710769      -1.00250277
Cl       2.89875001       0.76665000       6.31588004      -1.86673160       3.78085861      -1.08199350
Cl       7.19754998       7.61475003       3.53436005       0.13531537      -0.15763068      -0.14427106
Cl       1.70563005       5.55888006       2.61215002      -0.88983595      -1.39459943       1.94968020
Cl       0.03660700       8.70891002       3.99410005      -3.17979877      -0.87716025       1.90191815
Cl       2.63427996      10.10079994      10.75490005       3.02521761      -0.61424919      -2.35033509
Cl       7.55855996      10.98670005       8.66002996       0.47549621       0.48793035      -0.68131799
Cl       5.21730995      12.31300006       0.47984997       0.02384950       0.43332262       0.24739124
Cl       5.62444998       5.04149997      11.25210005      -0.18069931      -0.98872076       0.05341477
Cl       4.12888002       1.45033002       9.41147994       0.09624542       0.76367047      -0.02760943
Cl       7.67066002       9.06978996      11.70930001      -1.09592702       0.07624407       0.23364383
Cl       1.22885000       4.07782004       9.10973006       0.49716813      -0.07516092      -0.97758162
Cl       3.15646004      10.41219995       5.34577996       0.10416477      -1.02463115      -0.50111587
Cl      11.11869998      12.09960003       1.23259000      -0.50163105       0.31559562      -0.32027256
Cl       8.37048006       3.97560005       2.73013005       4.48981463       0.94542435      -2.83444188
Cl       8.35188004      10.85249996       4.24968004      -0.50103304       0.73961195       0.91644358
Cl       8.28053004       1.89801995      10.42539998       0.40849434      -0.61335907       0.37441914
Cl      10.88199996       1.18795997       5.59648996       0.90539909       0.68315336      -0.16398139
Cl       8.43106000       6.24045995       9.47059001       0.03340370      -0.97033294       0.79912071
Cl       6.29668997       1.37905000       3.56740002      -0.53142957       0.15384798       0.68611211
Cl      10.24670003       6.26096998       5.60367997      -0.30594280      -0.19551078       0.21167047
Cl       8.65015994       8.39816001       7.58122994       0.61077452       0.44247260      -0.54983970
Cl       4.08156004       8.01221996       7.98124003       0.14189106      -0.10821875       0.29075760
Cl       1.45851003       6.41509005      11.40680000       1.04176629       1.35650753       0.48355889
Cl       3.96566004       8.27780002       1.64221002      -0.10313572      -0.50747638      -0.08278298
Cl      10.19740005       7.41206001       0.75941804       1.18631872       0.96138484      -0.67954572
Cl      12.37996714       8.68040995       8.35098001       0.54029711       0.01933159       0.33526906
Cl      11.96129995       3.16917003      11.70190004       0.38479155       0.55191225       0.91994191
Cl       2.68430005       4.16523002       5.80980995      -0.03434317       0.29122255      -0.06521142
Cl       0.04322656      11.48110004      10.21020001      -1.18362329       0.35531452       0.62988034
Cl       2.71889998       1.90031999       2.28525999      -0.78875756       1.50279256       0.40276791
Cl       5.77357002       3.43274998       6.75424000       0.43053206      -0.01536064       0.11064169
K        4.95984004       7.79407999      11.25569996      -0.54016682       0.21134712      -0.17158465
K        0.51461494      11.96199995       4.81094995       0.40263856      -0.62630991      -0.43161054
K       10.17499997       9.75345000      10.92939998       1.04586180       0.02946162      -0.47807987
K        4.57167006       7.76775004       4.67126003      -0.60080212       0.21560119      -0.02875975
K        8.24432994       0.59247096       1.48046996      -0.21573845       0.59055293       0.23268175
K        5.43275997      11.50479999      10.22940001      -0.52002551      -0.27688306       0.35998603
K        3.15545998       3.13711994      11.74599996       0.00172371       0.01831165       0.22812485
K        8.63149999       1.03290003       6.85355003      -1.54505104      -0.18675504       0.44740038
K        6.67880997      10.25389997       1.75761998      -0.64041697      -0.82219107       0.75777904
K        0.55224197       6.22620997       5.18633002       0.51402868      -0.09979081       0.66518101
K        7.99817995       5.96818997       0.77368601      -1.52399863      -0.01981739      -0.53066408
K       11.07840001       5.15679006       1.93846002       0.51919748      -0.62224710       0.61780211
K        7.15641003       6.39041003       6.44606005       0.10992486      -0.67633807      -0.03698888
K        1.17798000       1.23998998       9.08182998       0.29420900       0.03643354      -0.52222900
K       10.49680000       3.32188004       9.39674005      -0.48500726       0.66286152      -1.23277986
K        9.95585002       9.66267998       2.45985001       0.71319073      -0.69556230       0.05224868
Li       8.09690997      10.03019995       6.39837003      -0.24325047       0.65844250      -0.43580743
Li       1.40465997       9.40327002       3.03064000       3.02098744      -0.13360834      -0.86834058
Li       6.97611997       3.53850000       3.69785998      -4.23113957      -1.66971777       2.92174611
Li       3.55062006       0.07410696       2.07530004       0.66396507      -1.22886072      -0.21611242
Li       7.58253006       8.66349002       9.49071996       0.11272214      -0.30878919      -0.20165182
Li       1.96504994       3.12928006       4.07403995       0.06224744      -0.00591338      -0.66676091
Li       6.54739004       3.11352001      10.12800002      -0.67261841       0.63747787      -0.07068140
Li       1.98465002       8.50574001       9.25259003       0.36666944      -0.16238521      -0.19044319
Li       4.53192006       1.81699996       5.54062005       1.01226494       0.60837438      -0.57633611
Li       2.34962002       6.23225995       0.94170996       1.22019921       1.46462738      -1.37458233
Li      10.98850000       1.36089002      12.08822701      -0.01089577      -1.21732335       0.17624689
Li      10.77610003       8.00126003       7.28683996      -0.66027749      -0.83410431      -0.89271224
Li       0.17510699       5.14277996      10.59900000      -0.84802158      -0.45540677      -0.16376050
Li       3.64080995       3.84887998       7.82072005      -0.00790323      -0.19352697       0.14049263
Li       3.35213006      11.62700001       7.17441999       1.00384957      -3.45017941       1.47678710
Li       1.44741994      10.17320001      12.20209997      -1.92855536       0.43692384       1.92958032
64
Lattice="12.40919302 0.0 0.0 0.0 12.40919302 0.0 0.0 0.0 12.40919302" Properties=species:S:1:pos:R:3:forces:R:3 energy=-535.21847284 stress="-0.018154667314691102 -0.0058608373559410265 -0.00029119534884177985 -0.0058608373559410265 -0.015747039291712027 0.00022156896149361165 -0.00029119534884177985 0.00022156896149361165 -0.01725211479880309" free_energy=-535.21847284 pbc="T T T" config_type=melt 
Cl      11.67720004       5.79733995       0.70167298       1.49549619      -1.25199261      -2.00510532
Cl       5.64212005       3.70270999      10.56859996      -0.97750717       0.53438114      -0.09008747
Cl       1.09313996       8.34821002       9.94459004       0.29948986       0.23119233      -0.35725267
Cl       0.70875702       7.22077999       4.86136999      -1.15807829       0.60634594      -1.13015507
Cl       9.14405004      10.53499996      10.85920006      -0.27942090      -0.44088140      -0.28643666
Cl       4.95989997       7.85642998       0.04763840      -0.91634884      -1.82750592       0.67091513
Cl       1.18040997       1.59786006       5.66718997       1.20303312      -1.82363137      -1.59285704
Cl       5.32611003       9.61570002       3.52147000      -1.64828158      -0.49794220       0.67783602
Cl       1.86330002       5.13105005      11.51509999       1.02559736      -0.04985890       1.05459562
Cl      10.43839998       1.63772000       2.92591994       1.30979622       0.52507454      -0.54459385
Cl       2.52659000       0.96611201       1.62135004      -0.60431782       0.03751405       0.95573303
Cl       2.10026001       9.35950999       1.22570997       0.03798079      -0.23640448       0.73601826
Cl       9.40585994       2.03367998       8.89404997      -0.63414588      -0.27812215      -0.25025830
Cl       4.14413005       7.15544001       8.89850003       1.82231614       0.89727803      -0.26760458
Cl      10.59990004      10.20910006       1.63397999       1.63326844       0.52714616       0.89795631
Cl       7.70460003      11.89710000       2.48887003      -2.13003764      -1.46040716      -1.61517243
Cl       9.32662997       6.20623998       9.46861000      -0.20732309      -0.03188900       0.43965487
Cl       9.31265995       4.77782001       3.28422000       1.40109419      -0.29565996       0.32061705
Cl      11.58540005      10.67229999       5.80968002      -1.73039045      -1.04296974      -2.87123279
Cl       0.75713798      11.50350000       7.99890998       3.42497746      -2.38782580       7.08558934
Cl      11.80200004       3.81138002       6.30054997      -2.96724291       2.30599316      -0.16362297
Cl       7.81633005      10.70270003       6.50672996      -1.57394747      -4.04862356      -1.18733141
Cl       8.28791003       7.72838994       1.13020001       0.17942626      -2.06913142      -2.18102614
Cl       2.16151005       4.06882995       8.69176002      -0.07222808      -0.51090911      -1.16950590
Cl       0.24366096       1.45192001      10.76910001       1.02461668       0.54843333       0.12894009
Cl       7.78598002       1.88221994       4.79317006       0.58664904      -0.17225953       0.52291438
Cl       4.27407999       9.95928997       7.01219002      -0.22141223       0.33182045       0.60312880
Cl       5.47165001       4.20703001       2.77301002      -0.60110582      -0.93376179      -0.22738852
Cl       4.46570994      12.04089996      11.98910002       0.63330173      -0.39220477      -0.81300193
Cl       9.34324005       8.09757994       4.20581999      -0.38608278       0.09504859       0.25984933
Cl       8.42007005       3.47799005      12.21810001       0.14252775      -2.03151499       0.54200236
Cl       5.95054000       4.46539003       6.92242998      -0.20692877      -0.14217370      -0.09822673
K       11.63499997       8.42516005      12.16109999      -0.02011319       0.41184163      -0.70421514
K        7.15200005       6.28594001       2.97498006      -1.07612809       1.06057881       1.29992928
K       10.12310000       0.86369497      11.27139994      -0.98508889      -0.77058840       0.97789296
K        2.76934000       6.30263000       1.70562000      -0.05787604       0.40713837      -0.05447475
K       11.64960001       4.36744005      10.58880002      -0.13097243      -0.19245994      -0.98942639
K        4.57032006       2.43624003       0.52108100       0.39481293       0.20752677      -0.08651469
K        8.81031001       3.82335998       6.88780002      -0.12925408       0.87368372      -0.60460958
K        0.40523796       2.84788002       1.09755999      -0.17352533      -0.03351009      -0.06429997
K        6.33846006       9.76549002      11.52539999       1.16573792       1.61611698      -0.67329041
K        5.09207997       1.42006003       4.51795004      -0.53786491      -0.01018344      -0.04387736
K        3.97753998       1.40802001       9.18918997      -0.36700108       0.21911151      -0.08033045
K        1.45774997      11.65590003       3.77322994      -0.12244774      -0.41066815      -0.13842114
K       11.51610005       8.64108001       7.63696000       0.00799205      -0.46854186       0.39235720
K        2.78999994       6.23609005       6.13799997       1.27388940      -0.45137357       0.93370507
K        7.14428997       8.60025004       8.45451995      -0.11378216      -0.29581672      -0.27365327
K        1.60514996      11.46479995      11.80449999      -0.30716027       0.06329396      -0.22670851
Li       2.70036995       6.02942995       9.61889005      -1.89357309      -0.73014655       0.61973863
Li       0.98782202       3.08156994       6.96942000       2.14593548      -0.01829882       2.19996500
Li       8.65353996       9.58539999       1.46184997      -0.08713482       2.43596067       0.43117314
Li       8.59940001       5.40414995      11.97979995       0.36384328       2.43919515      -0.57033357
Li       7.79640002       3.36768994       2.60697998      -0.06795132      -0.83826669       0.06192787
Li       4.53052998       9.72854996       1.71800003      -1.31567598      -0.00187234      -1.78793635
Li      11.16179997       3.30471999       4.37463999      -0.56865719      -0.33392093      -0.72270214
Li      11.41969998       8.70831997       3.66654004       0.13985110       0.58505914       0.47229696
Li       7.48607005       2.97705004       9.86096995       0.90460759       0.06310506      -0.04837228
Li      10.68560004       6.30117006       2.16182003      -2.59399206       0.87550402       3.26960983
Li       8.44754003      12.32887427       6.87608996       1.76172795       4.43383994       0.88584882
Li       0.19424296      12.16789998       6.53063999      -1.25964288       3.68322466      -4.33544773
Li       2.70217996       9.90841005       8.84983999      -0.27533174      -0.38077122      -0.75305584
Li       9.18035996       0.06152391       3.57585999       1.35154798       0.40256525       1.41622842
Li       5.01539997       6.06621999      10.75080005      -0.00461506      -0.03863748       0.03320486
Li       7.13940001       9.63310999       4.15783005       2.67307112       0.48275234       1.11890071
64
Lattice="12.40919302 0.0 0.0 0.0 12.40919302 0.0 0.0 0.0 12.40919302" Properties=species:S:1:pos:R:3:forces:R:3 energy=-536.98499814 stress="-0.011721784568684177 0.006229093266269687 0.000658763032925165 0.006229093266269687 -0.02172565530423199 -0.00015304745857392554 0.000658763032925165 -0.00015304745857392554 -0.0064587933787430786" free_energy=-536.98499814 pbc="T T T" config_type=melt 
Cl       3.51433000      11.78403103       9.93670995      -0.55522570       1.07413164      -0.28536092
Cl       6.71988006       9.00243000       3.84062005       0.36705378       0.38468818      -0.28560071
Cl      10.32750001       6.10904994       4.37614001      -0.09779922       0.31222845       0.61789181
Cl       5.59242000       6.82883997      11.10580001      -2.44098147       1.21305085      -0.36891207
Cl      10.75950001      11.15619995       8.39462996       0.43644328      -1.29075946      -0.29940436
Cl       6.56005995      10.27270002      12.15329995      -1.72462322      -0.36882325       0.90286411
Cl       0.23919303       7.54453000       7.56808997      -0.73772478       1.24674944      -0.39564136
Cl      12.24589995       0.20947698      12.24079903       1.67176545       0.38287772       1.36735372
Cl       4.18988994       2.98366004       5.14981994       1.87590912       0.28603548      -0.61049395
Cl       7.56941999       8.69285005       7.59972994      -0.51780577      -0.56585956       0.69235675
Cl       9.67526997      11.21640004       2.71080000       0.00439679      -0.84757326       0.25223736
Cl       7.07544005      12.17760000       9.80377995       0.19972592       0.46795968      -0.50723428
Cl       9.03449995       9.27751997      11.30929998       3.20290047      -0.88808186       0.95357985
Cl       9.11486002       1.87486998       5.33185995       0.86068990       0.52754945      -0.14786409
Cl       1.66120006       1.11547005       4.25245995      -2.69256137       0.84232774      -0.33791198
Cl       3.20395995       3.35415995      11.41079998       0.08446346       0.51054647      -0.70446864
Cl       3.39436003       6.15777998       2.05813006      -0.38695810      -0.35165948      -0.60349288
Cl      11.84850001       2.67106006       9.91671999      -0.60168814      -0.29022370       0.16922828
Cl       1.52286994       2.40530999       7.62486997       0.45080456      -0.31859585      -0.32383328
Cl       5.42734000      12.36459996       1.55229996      -0.90268021       0.63200108       1.11549237
Cl       3.40529997      10.98269994       6.97861000       0.70874180       0.13636894      -0.51755168
Cl       7.21208003       5.99440997       2.11599996       0.33273205       0.08870969       0.05618825
Cl       4.52265002       5.79936997       6.99070995       0.11734786      -0.09470693      -0.20465886
Cl       1.16554996       9.60198997       4.99629006       0.00989271       0.11349063      -1.05673757
Cl       6.38906996       0.44044594       6.44676005      -0.39289128      -0.46368346       0.72740290
Cl       1.71347999       5.11778003       4.96519994      -0.78921541       1.88024398      -0.88460330
Cl       7.33604005       3.48561996      11.51569998       0.17780804       0.92594389      -0.71148168
Cl       0.47651400       3.97012996       1.21031997      -0.24131102      -1.14084715      -0.87888816
Cl      11.30940000       6.91315001       1.52614994       0.66574511       1.45947114      -0.48488727
Cl      10.26040003       5.32252997       9.92004999       0.81929899       0.05264861      -0.38280455
Cl       1.90494006       8.90055996      11.98599995       1.84577140       3.31147030       0.07490278
Cl       8.65710003       1.14926004       0.32381603       0.32989613       0.42864782       1.65272051
K        4.43563999       2.06594003       8.65230996       0.17786747       0.20053773       0.05415639
K        8.00579001       6.45266000      10.80509995       1.31109491      -0.95297249       0.52481735
K        3.78413998       8.71543999       3.13771000       0.36106832       0.59951649       0.12786126
K        1.12576001       5.22439001       7.95280995       0.59916498      -1.79844872       0.55132603
K        1.08543000       6.68540000      11.72090000      -1.36828029      -3.69629581      -0.33523128
K        8.98268995      10.37560003       5.68734995      -0.13499430       0.31192999      -0.11345142
K        2.71445004       1.91405002       1.29215003       0.05745617      -0.49626203       0.88563175
K        7.56793995       4.65676002       5.99131996       0.24387884       0.14511129      -0.17491061
K        9.85903002       4.62762000       1.72502004      -0.57947052      -0.93723991       0.12377206
K        6.75692001       1.64069002       3.96315996      -0.23399166       0.00737933      -1.02962923
K        9.72483998       1.11395005       8.06151994      -0.77559621       1.36595175       0.00369390
K        3.88194006       0.07820695       4.58918998       2.49657686      -1.24958481       0.17498607
K       10.29110000       7.98438998       9.17022996       0.16210465       0.69923275      -0.78631106
K        0.42918795       9.80773004       1.73045998      -0.80221832       0.44641532       0.40548261
K        1.01932996      10.17009995       8.00907001       0.05108304       0.06569273       0.69201796
K        9.97192997      11.91240004      11.18389999      -0.44046665      -0.78743194      -1.34305908
Li       9.79456004       3.45162994      10.92780006      -0.36656235      -0.55124255       0.08518455
Li       3.97232998       5.34422000       4.01055005      -0.04606817      -0.65929662       0.79305281
Li       1.16535005       2.12351000      11.18150006      -0.37198932      -0.04503964      -0.10168150
Li       9.02313003       7.65580001       2.46190001      -0.13347168      -0.72608625       0.44411107
Li       7.63979004      10.29979996       1.94797005      -0.55613543       0.27566570      -0.02449947
Li       7.28018999       9.00837003      10.57749996      -2.29730442       0.16578074      -1.19508631
Li       1.16110002       0.57999700       6.48784999       0.21845053      -0.10436256      -0.41734768
Li       4.27998006      10.56910005      11.32579999       0.53354695      -1.04227409       1.30925577
Li       0.28133006       7.62493003       5.18271994      -0.47370117      -0.69347369       0.33392659
Li       5.37279006      11.58229999       8.43155997       0.00155260      -0.05785200      -0.55122004
Li       4.46925996       5.52699997      12.35625218       0.10663231      -0.63341072       0.35349791
Li       6.61563998       0.18664196      12.06019998       0.31104780       0.30322238      -0.20396927
Li       2.18989000       3.23630997       5.53847004      -0.68693123      -1.45378612       0.36180096
Li       5.43576001       7.70315002       7.22192002       0.47391552       0.58728069       0.13956706
Li      10.41800001       0.68018100       1.90202005       0.00008656       0.23366534      -0.63499126
Li       0.77516903       5.37226999       2.64392997       0.08173308       0.82135049       0.95685900
64
Lattice="12.40919302 0.0 0.0 0.0 12.40919302 0.0 0.0 0.0 12.40919302" Properties=species:S:1:pos:R:3:forces:R:3 energy=-533.65017485 stress="-0.016401861479465676 0.0036773181829717035 0.006224165513675183 0.0036773181829717035 -0.027961212595669405 -0.001150660555188648 0.006224165513675183 -0.001150660555188648 -0.014073131424637501" free_energy=-533.65017485 pbc="T T T" config_type=melt 
Cl       6.68277000       9.72039005       9.65022003      -1.97534925      -3.40392021       2.61787420
Cl       9.86673998      12.07929996       2.82277994       2.04743614      -1.04265559      -0.94304702
Cl      11.60209997      11.16410001       6.05873997       0.74866822      -1.90110719      -0.93647003
Cl       6.82229003       6.16531000      10.82849996      -0.05657318      -0.47495818       1.90039351
Cl       4.27565000       6.88156998       8.12095005      -0.37165896      -0.34490360       0.41668587
Cl       0.55663706       4.62517999       7.56598004       0.12139566       0.87046234       0.47568659
Cl       1.20609998       6.98552006       4.61100000       0.27895612       0.20039421      -0.61697437
Cl       9.29227003       8.08113999       0.98518494      -2.66512861       2.48308455       3.99795389
Cl      10.80690002       5.24451003      10.77919998      -0.76429862       1.37333872       2.44331183
Cl       8.30462000       1.65557000       4.81570999       0.37864821      -0.13416850      -0.20010621
Cl       1.03871001       3.07949996       1.82623997       0.34223602       1.12329644      -0.82164612
Cl       6.81397004      10.90090003       6.71213002       1.40534949       0.47548860      -1.00734544
Cl       6.37001006       2.98342005       0.47967401       1.17137072      -0.95447041       0.52842906
Cl       9.85894005       2.28238006      11.93350001      -2.17592856       1.13268582      -1.40669179
Cl       2.50238004      10.89820004       3.70851997      -0.89242842       3.34660385       1.83225930
Cl      10.01080003       4.08529000       2.24981002      -0.43714796       0.45640930       0.46303526
Cl       1.52605005      10.26580002       9.16706996       0.23191981       0.51349210      -0.87417377
Cl      10.88570001       8.47458003       9.58608002      -0.56937451      -0.78362349       0.22100884
Cl       2.10757995       3.89354997      10.94839994       0.28642284       0.16776423      -0.62856741
Cl       7.64285003       0.90199396       8.99033005       0.23640657       1.61693733       0.35517882
Cl      11.93739997       0.55299298       8.98915998      -0.98807789       0.10471451       0.00271557
Cl       1.14149002       6.59725998       0.31642598      -0.12939930       0.10022597       1.25375930
Cl       6.63123995       3.51694002       6.58929006      -0.63484520       0.31425550       0.41336247
Cl       0.44026799      11.93370004       0.29289902      -0.39591399      -0.01581592      -0.68019345
Cl       3.56518994       9.61923999       0.10065394       0.56636744      -0.97357090      -0.60149144
Cl       6.42544999       7.27648002       3.22528006      -0.31540614      -0.28174267      -0.44720050
Cl       3.05986006       1.01855997       9.53125000       5.37789319      -0.62987404      -1.93412512
Cl       4.47518995       0.89376096       5.55987006       0.51815617       0.56021740      -0.19498431
Cl       9.61571999       4.50936995       8.02772996      -0.88724894      -0.28307467      -0.02822365
Cl       0.42206706       1.94104994       5.74453995      -0.64052395       0.20765812      -0.72070627
Cl       7.06475002      11.87829995       0.20702406      -0.02199089      -1.21553624       0.77200266
Cl       9.17531004       7.71083999       5.03418004       0.58461535      -0.35516099       0.46936984
K        0.12756502       9.91099004       2.96152006      -1.12624744      -0.66001928      -0.33241553
K        4.91466003       4.86719995      11.82460003      -2.55342546      -0.21920436       0.55977567
K        8.27978003      10.16669995       3.70424997      -0.93944433      -0.81879193       0.36656800
K        6.59643998       6.41706001       6.06123000      -0.09067378       0.25390281       0.13901340
K        1.58353005       7.92610996      10.46979995       0.05024264      -0.00636370      -0.13787847
K       12.18250002       8.05430003       6.79629997      -0.28732656      -0.00253649       0.21997880
K       10.17050002       3.57872999       5.33629996       0.87859248       0.87218745       0.32190329
K        3.51735995       8.97007005       2.76255006       1.59429878      -3.42452492      -0.69107591
K        4.37007006      12.09179999      11.67790004      -0.20097702       0.43280499       0.15063620
K        0.41777906       0.76869404       2.78515006      -0.20795285      -1.09261398       1.14293140
K        2.07086003      12.36389996       6.70087005      -0.61458581      -1.09192377       0.18165225
K        5.88619995       2.98663998       3.59982003      -0.17211713      -0.12571175      -0.05443930
K        1.71991006       4.12090004       4.26987004      -0.00444601       0.61677932       0.39848426
K        2.76612006       3.00720003       7.18292004       0.81624316      -0.14867515       0.37044282
K        4.45743996      10.44360005       7.81049003      -1.24312932      -0.44018620       0.40719177
K        8.00461002       7.41255997       9.15111000       2.38835496       0.87664513      -2.62722161
Li       7.62348002       1.11110003      11.59449996       0.49133924       1.14493134      -0.52137387
Li      12.37546074       4.93545002       1.11295000      -0.12586861      -0.27676984      -0.28650658
Li       2.85288005       5.43832003       9.49529994      -0.27632465      -0.15627166      -0.60306725
Li       6.18010002       8.52700999      12.16550005      -0.04804607       0.27442431      -0.32369341
Li       8.76219001       6.56148006       3.16533001      -0.06279450       0.30610100      -0.54814491
Li      10.52759999       0.19212496       6.83910994      -0.41389762       1.36669176       0.94000655
Li      10.13859996       7.18244998      12.13610006       2.94210073      -2.76388674      -4.22029966
Li       7.00160001       1.02357998       6.18821005      -1.76345748      -0.73516180       1.49249921
Li       7.56089004       3.29956000       8.79116002       0.54546980       0.14333401      -0.57113725
Li      11.61109999      10.38810006       9.50007004       0.87075789       1.37086335      -0.11445602
Li       1.35940004       1.22903005       9.93125996      -4.79444898       0.71203621       1.75248825
Li       9.00852006       1.39314002       2.95595999      -0.19299496       1.53121603      -1.41867454
Li       7.26556998      11.30869999       9.04031998       1.36137444       2.57041751      -1.80338881
Li       8.93227997       3.87190003       0.19101905      -0.88800405       1.75170898       0.58160068
Li      11.57389996       4.01945997       9.40921998       0.50293297      -0.69926481      -1.39507247
Li      10.97469999       0.88546504      12.13149997       3.18990798      -3.81458419       0.50259295
64
Lattice="12.40919302 0.0 0.0 0.0 12.40919302 0.0 0.0 0.0 12.40919302" Properties=species:S:1:pos:R:3:forces:R:3 energy=-536.05448214 stress="-0.012987443387864471 0.0005538967168032215 0.0003822852312588183 0.0005538967168032215 -0.018487932388633693 0.002679610028172994 0.0003822852312588183 0.002679610028172994 -0.01683830950955292" free_energy=-536.05448214 pbc="T T T" config_type=melt 
Cl       4.48891997       9.17651001       6.64927994      -0.34854436      -0.17512276       0.24118240
Cl      12.18110002       4.16306002       5.96767002       0.07453021      -0.22286118       0.00214547
Cl       3.50806000       0.53412095       7.67628995      -0.11830639      -0.06124901      -0.12293206
Cl       6.64544997       1.73356005       0.09060684       0.06161782       0.48878597       0.37958305
Cl       2.19969004       7.90943995       9.54001002       2.29716838      -2.26068083      -0.72782090
Cl       3.99055996       3.73639995       7.57174001      -0.99185361       1.49351557       0.67591185
Cl       9.71547005      11.08499997       7.30284000       0.82388149      -0.14203062       0.23886604
Cl       9.70444002       9.87867998      10.48359997      -1.08007928       0.49878464      -0.01877444
Cl       8.39751001       1.74408999       8.45895996      -0.04592079      -0.33504518       0.69938630
Cl       1.17620995       0.57695401       4.62813995      -0.60206086      -1.14480950       1.94519494
Cl      11.45669997       7.58655994      11.82520002       0.57965241       1.08005223       5.83085587
Cl       6.79412004       9.36550003       3.04792005      -0.96157741      -0.46051072      -0.55552890
Cl       3.77501997       4.05823994      12.08920001      -0.57986907      -0.35894641       0.13409093
Cl      12.10570002       0.82053195      11.67170004      -0.06210085      -0.26010821       2.53683458
Cl      12.27349998       9.55185000       3.97036995      -0.27782950       0.85353580       0.44548785
Cl      10.91069995       5.97199003       2.19433001      -0.05598691      -0.46909835       0.66984660
Cl       7.15334000       5.18501998       0.03751026       0.26448822       0.59929000       0.24519359
Cl      11.01490006       7.57970001       8.16154995      -0.03089942       0.23076819      -1.14036185
Cl      10.77270004       4.82710994      10.76269997       0.08479002      -0.51578622       0.18128269
Cl       7.31961003       0.03221737       5.53143998      -0.60136852       0.41870655      -1.12893923
Cl       1.85120999      11.10409995       9.77492001       1.30277187       1.23468876       0.01693641
Cl       9.70273996      10.98149998       1.90255998       1.79559646      -1.43006000      -1.08541827
Cl       6.27979994       3.99130997       3.21888994       1.47005778       0.00879661       1.71661183
Cl      10.96719999       2.20256996       2.50525004      -0.43276070       0.63388659      -0.04038558
Cl       1.95530997       8.91961998       1.49303998       1.12526283       0.88128076      -0.18575535
Cl       6.20470000       8.50374003      10.97049997      -0.35385555      -1.14377414       0.13145789
Cl       6.24368001      10.87569994       9.06228996      -1.88467909       0.77822829      -2.09340600
Cl       2.56379996       5.67166994       3.41921999       0.67181676      -0.59893577      -0.38215364
Cl      12.16070005       1.52542003       8.93844001       0.17174679       2.05132147      -1.93397535
Cl       3.74853006       1.67554000       3.16299000       1.32593639      -0.07084623      -1.00787201
Cl       5.39560995      11.31879996      12.28540003       1.57784307      -1.40357944       0.91706227
Cl       7.86086999       6.32774001       7.30470994      -0.68778762       0.29681880       0.27493611
K        0.59292601      10.49329999       6.77586997      -0.08993696       0.18767836       0.01246370
K        3.27639998       6.90435004       0.18846598       0.17402083      -0.75336390      -0.31362334
K       12.36589995      12.17889999       2.41192000      -0.37344235      -0.54517530      -1.10427000
K        6.21245997       3.66384998      10.40180006      -0.20055050      -0.12372727      -0.89846347
K        8.56148000       7.57630995       0.84536597       0.19880246       0.43525746       0.02512896
K        0.15566501       6.89357997       4.39942996       0.11251161      -0.72247774       0.59067253
K        8.91109995      10.34769995       4.53637000       0.67595278      -0.61378638       0.45524531
K        5.36157997       5.94449995       4.91208003      -0.26862380       1.00629233       0.61241693
K        3.82272996       0.66665895      11.67930005      -1.56408881       2.03824692      -0.62659926
K        0.20906500       4.03495000       0.38467605      -0.03200551       0.01905311       0.24986009
K        3.60185005      11.27100000       4.09017996       0.47701928      -0.36169581       0.27088302
K        7.99535996       0.35752895       2.25690994      -1.70329311       1.12329139       0.95932318
K        6.16406995       2.40105004       6.49813001       0.13458268      -0.25534260      -0.21890639
K        9.33557005       1.26622003      11.69399998       0.16462354       0.09151158      -0.23094517
K        0.14015005       9.24630006      10.16409998      -1.66713351       1.29701907       0.06874556
K        9.69841002       4.25117001       8.37359005       0.28013663       0.31210733      -1.05990251
Li       7.48337998      10.53699995      10.47080001       1.40521331      -0.74593085       2.28842645
Li      12.29819999       9.02957002       1.80804002      -1.04683646      -0.41119203      -0.38287157
Li      11.26749998       7.06502998      10.12660002      -0.69719314      -2.62453788      -3.05493784
Li       4.71709997       9.44732997       0.44218298       0.31601053      -0.29919260       0.19023307
Li       4.54687996       3.64232996       2.33525998      -1.98846267      -0.19715143      -1.08220759
Li       1.95780000       2.24320002       3.89624004      -0.47068042       1.73874627       0.18897394
Li       8.75322995       8.18952002       8.92696002       0.36871685      -0.04389787      -0.30605255
Li       7.45109002      11.40610000       7.37806999       0.40939723       0.24054035       0.04400433
Li      10.60120003       0.35596403       8.72138002      -2.21196294      -1.30571217      -0.66571941
Li       3.89311999      10.78090003       8.57615002       0.01980870       0.41143750      -0.41261630
Li       2.71695000       5.54161999       8.61619002       0.07921164       0.19280231      -0.06606386
Li      11.04379996       4.09982997       3.81355994       0.01726035      -0.00885981      -0.12063008
Li       5.14241004       8.17285001       8.61819001       0.21929859       0.28277545       0.20566902
Li       7.23974000       3.58279995       1.47253999       0.54165174      -0.20462957      -1.22279116
Li       1.12015006       2.46569002       7.65066000       0.73033959       0.26233785      -1.24448616
Li       1.04918995       0.71837005      10.19769998       1.47797125      -0.91743971      -0.01050253
64
Lattice="12.40919302 0.0 0.0 0.0 12.40919302 0.0 0.0 0.0 12.40919302" Properties=species:S:1:pos:R:3:forces:R:3 energy=-537.11264219 stress="-0.0094184778719747 -0.0003749009954346227 -0.002509567271049272 -0.0003749009954346227 -0.024922339679418197 0.00013312079157259415 -0.002509567271049272 0.00013312079157259415 -0.012126326459750075" free_energy=-537.11264219 pbc="T T T" config_type=melt 
Cl       2.84774997       6.16433004      12.30650000      -0.06483133       0.49224033      -0.95953272
Cl      10.95420000      10.64969999       0.35382804       0.12288107      -0.68337810       0.30041741
Cl       8.27426997       2.55728004       0.41383902       0.15033830       0.15808562      -0.13507983
Cl      11.59999997       9.26875995       7.43664001      -2.75374737       2.26159417      -0.35033301
Cl       5.86212003       0.45249899      10.83310005       0.28267250      -0.58393207       0.69075409
Cl      11.38339998       6.92321002       9.58630003       0.70203922       0.03867058       1.27022523
Cl       8.60768005       1.87182998       4.99727001      -0.85420504      -0.44629873      -0.18290984
Cl       5.50398998      10.44690003       7.61354001       0.91536848       0.78047088      -1.10562169
Cl       7.97403004       8.72731000       4.15863999      -0.38128170      -1.14362298      -0.38393925
Cl       2.03861995       9.14800994       5.76214003       0.57549832       0.41668682      -0.78245366
Cl      10.03429994       3.02908005       9.58261996       0.49584421       0.07744680      -0.65474369
Cl      12.38138203       3.10171999       5.76867000       0.02807651      -0.43556304      -0.76274515
Cl      11.86339998       7.35519997       2.41386998      -1.84216038       0.51747425      -1.38027180
Cl       5.18976005       4.38398002       5.65610000      -0.51845812       0.01523312      -0.51068366
Cl       4.61926006       9.08266995       2.74180003       0.17925557      -1.01860929       0.28867412
Cl      12.03250005      11.55580003       4.54084996      -1.61506062       2.76505880       1.49920906
Cl       6.60171997       5.66949002       2.06398000       1.49391403       0.41179031      -1.17413685
Cl       9.03324997       7.39960999       0.04320695      -0.71721781       0.72577711       0.47013079
Cl      12.11610004       3.73454006       1.56329003      -0.02231947      -0.09598613      -0.12658692
Cl       3.18712998       8.05423997       8.93823005      -1.50255574      -0.94150540       1.09285404
Cl       9.74600994       4.87457995       6.15625005      -1.52178662       6.64235493       1.44934756
Cl       7.74614998       7.50558003       8.18800002       0.05112581      -0.19090126      -0.28343766
Cl       5.88520001       2.83997002       8.91225997       0.08531481       0.38319785      -0.90385356
Cl       1.39078997       3.69749999       9.65259999      -0.25482151      -0.32906850      -0.02492795
Cl       1.39027995       6.33433003       6.65619000       5.01090570       4.34213794       1.15200076
Cl       1.56900000      12.02029995      10.30650006      -0.98414873      -0.62244972      -0.68927904
Cl       2.73225997      12.06890006       1.07567998       0.37919160       0.09345477       0.28564832
Cl       5.74456005       9.39196996      10.74380002       0.45084895       0.76461073       0.67256897
Cl       9.38646996      12.00340000       9.32975994      -0.28600800       0.85242297      -1.35306969
Cl       3.16225004       0.59350899       5.97274997       0.37729414      -0.24584216       0.22333244
Cl       3.19983997       4.26951998       2.39285997       0.92044525      -0.80136731       0.94310178
Cl       6.90965000      11.50640003       1.89186003       0.37368010       0.00078042       0.16461305
K       12.00059999       1.44240997       8.00852003       0.32202370      -0.44492898       0.62335239
K        9.08881995      10.06939997       6.13833998       0.78289383       0.67741789       1.20096051
K        3.31093005       1.64511998      10.48099999       0.33245065       0.60664042       0.02230350
K        2.18307996       1.61925003       3.47208997      -0.50717546       0.10062077      -0.24754880
K        4.22139998       7.45369000       6.56837002       0.64540660      -0.44866874      -0.78886587
K        6.27077002       3.18849003       2.58781001      -0.47500426      -1.70046751       0.40513655
K        9.56643006       0.78185399       2.50773001       0.21454934      -0.20706137      -0.10877869
K        0.44163697       9.77302004       3.13205004       1.58579568      -1.23993004      -1.74013588
K       10.58589999       0.75687403      11.59459998       0.40075364       0.81220487      -0.04679759
K       10.02359999       4.94385997      11.59449996       0.64862128      -0.36195929       0.44025934
K        8.66513002       9.77013999      10.42949998      -0.10259073      -1.50062528       0.58432932
K        5.78510994      10.74889995       4.99394000      -0.41032832       0.31864733      -1.69239595
K        1.53338003       9.52691001      11.86300003       0.50361299       0.10219511      -0.14122405
K        6.09841005       6.89921002      11.79949996      -0.44112701      -0.70908695       0.02962453
K        1.48499001       6.32218999       3.47944999       1.76772209      -0.87256904       0.73787519
K        9.71814994       5.69784006       3.36954996      -0.13598704      -0.02171121      -0.62138075
Li       5.00454999       1.57149003       6.72554994      -0.02389116       0.78531434       0.53674407
Li      10.91069995       8.47895998      12.18870003       0.16630468      -0.34348769       0.25526517
Li       7.98324002       2.67513003       9.84863000      -1.02947479      -0.57070621       0.25139368
Li       9.98306003       3.18215997       5.87230996       1.58733686      -5.56495061      -0.71062446
Li       9.86504004       6.65287005       8.21085006      -0.66024623      -0.07787773      -0.70780179
Li       2.37714001       5.58162995       9.69504998       0.08350042       0.76294959       0.38029839
Li       5.72924003       6.94056006       3.24513005      -1.21242626       1.80031361       0.90325378
Li       2.00453997       4.22136995       0.65676101      -0.86965366       0.15037666      -0.39682366
Li       7.05874000       5.05673002       6.20203004       1.13485230       0.09332399       0.75428094
Li       0.73972205       8.23069000       7.52468001       2.62785340      -1.37679362       0.42963247
Li       0.28559398       5.11638002       6.35983998      -5.23603410      -5.61821115      -0.82505023
Li       0.83806999      10.85999995       6.18860999      -0.03885872       0.09378719       0.53012946
Li       4.49803006       9.61228997       9.07485005      -0.82290032      -0.00757033       1.22673898
Li       5.05753997      11.97700006       0.47266802      -0.02004434      -0.31216166      -0.08230814
Li       7.71123994       9.18069005       2.07426995      -0.34015925       0.47913428      -0.61337392
Li       6.52525006      11.49140005       9.21275999       0.24613206       0.39487770       0.67225989
64
Lattice="12.40919302 0.0 0.0 0.0 12.40919302 0.0 0.0 0.0 12.40919302" Properties=species:S:1:pos:R:3:forces:R:3 energy=-531.85020005 stress="-0.021361448323288377 0.00018212448378774896 0.00017404996826177633 0.00018212448378774896 -0.02444536904454623 3.969430035013529e-05 0.00017404996826177633 3.969430035013529e-05 -0.014333798360216343" free_energy=-531.85020005 pbc="T T T" config_type=melt 
Cl       6.10125995       5.18025994      11.15170000      -0.90334639      -2.82905598      -1.30886644
Cl      10.92570005      10.34750003       0.58148200      -0.72786871      -0.12921508      -0.99266933
Cl       9.30515996       5.39201997       5.90334995       0.17589125      -0.79302601       0.50467405
Cl       2.99529006       9.62151000       9.98525000       0.39105053      -0.87160942      -0.47352785
Cl       7.52234001       7.96503996       1.88781004       0.90750566       0.76529813      -0.19412238
Cl       3.99453003      12.03069998       7.52152001       1.11332981      -0.27265523      -0.79795633
Cl       9.71976003       1.47373996       6.40334996      -0.52804663      -0.31078529      -1.23065350
Cl       8.16332000       2.78927003       2.74489004       0.24440447       0.08971271       0.43357299
Cl      11.21939997       9.89005002       7.74280000      -1.78838166      -0.85843067       1.38942468
Cl       7.40423998      10.70729999       6.31081002       0.24078153       0.25844695      -0.01823102
Cl       5.80515005       7.37723001       6.77639004      -0.30146852      -0.25682866      -0.18126568
Cl       0.89471796       8.64111004       3.04929996       0.76727640      -1.10434584       1.26176679
Cl       1.08580997       1.76839997       2.58835999      -1.06579567       1.54555336      -0.09303582
Cl      10.99389999       5.11469994       2.49854001      -7.24606509       8.67859308       3.91329583
Cl       5.08587996       3.22651006       5.84413005       1.15339317       0.03887758      -0.37600462
Cl       2.55221995       5.34536004       5.28610006      -3.11811173      -0.19865082      -0.12945698
Cl       2.36369998      11.60629999       0.11648596       0.44498587       1.78247967       1.17331179
Cl       2.15289001       2.09088003       6.10572999      -1.06904965      -0.99434609      -0.62952920
Cl      11.24889997      11.39069994       5.07456005       1.16581336      -0.12702826      -2.88364864
Cl       5.48152003       1.38899001      11.13989997      -4.41627981      -4.60789974       0.18883823
Cl       9.29504001       4.21924004      11.61219994      -0.14678114       1.36962713      -1.73567953
Cl       8.28555005       1.11894004       9.27635996      -0.35288042      -0.42487042       0.13472262
Cl       8.24538001       8.14707004       9.82736995       1.35250084       0.30395395      -0.79855465
Cl       0.30924801       5.04060999       8.09553999       0.06735091       0.27451201       0.97777926
Cl       0.56386095       0.39676397       9.49712000      -0.64471560       0.44505185      -0.87459650
Cl       2.07173997       3.58308003      11.67090002       0.22306285      -0.78905469      -0.59134543
Cl       6.03784004      12.28299997       2.77096002      -0.22743794       0.88098727      -0.29641467
Cl       2.24638000       6.34905999       0.90755899      -0.60086694       0.89226812      -0.14063687
Cl       5.28549002       5.52052994       2.75087996      -1.00267927      -0.30831232       0.25683794
Cl      11.22349996       1.32015001      12.06190004      -0.55766802       0.14266044       0.57596494
Cl       4.10030996       2.42254996       1.96261997       0.29014361       1.71726107       1.87588317
Cl       3.55823000       9.68399004       4.67410000      -0.42177211      -0.26627525      -0.28564135
K        7.57314995       6.05636994       3.76686005       1.55356187      -0.14453034       0.64304730
K        0.00180703       3.98073001       5.64569006      -0.64937578      -0.13996206      -1.10480391
K       10.66790006       7.46260004      11.46600004       0.11083033      -0.17008380       0.39296242
K        2.81730997       6.18046001       9.29439002      -0.04177791       0.39220796       0.59075353
K        8.86606004       8.20375002       6.65077997       0.38969355       0.20511893       0.10306770
K        1.77131998       9.08146006       0.19331103       0.02974988      -1.24583655      -0.35475175
K        6.24689002       9.76841995       3.51310000      -0.40265343      -0.67320777       0.65690310
K        3.16601003       3.03135999       8.42029999       0.09825829       0.02254488       0.69669144
K        8.86087995      12.22840001       2.60959001       0.74452370      -0.16713415      -0.18240620
K        6.65692996       7.46399000      11.80919998      -0.85616798       1.64810474       1.24796876
K        3.15598005       0.21748104      10.05200004       0.26692771      -0.30453017       0.24452144
K        8.35224003       5.63871001       8.83004000      -0.34164541      -1.21866728      -0.06375597
K       10.73179996       2.67424997       8.47866005       0.85398849       0.67096014       1.79110599
K        1.79364002      12.10869994       3.97285998       0.31655071      -1.62650416       0.63406824
K        0.86170801      11.25219994       6.99031000       1.78882604       0.57936037       0.15801440
K        6.95162000      10.46769994       9.93320001      -0.69070865       1.48033774      -0.23127381
Li       4.45032006       9.34869997       6.53769003       0.41342003       0.20868382       0.85060074
Li       1.10266997       1.07554000       0.46883805      -0.45225389       0.44852295      -0.65020979
Li       9.74376003      11.66029996       6.29479000      -1.17754349      -0.28802821       1.38743958
Li       9.46401997       3.00397004       0.73783995       0.52237954      -1.02349205       1.05622008
Li       8.53435996       2.69612005       5.16687005      -0.15521313       0.87542905      -0.52774722
Li       6.72301996       2.56338996      11.08390002       5.10606774       5.06591827      -0.45236376
Li       6.04297000       3.32436995       3.26883000      -0.90180778      -0.25032043      -0.25490983
Li       6.64413000       0.31617706       6.90910995      -0.49826047       0.17732944       0.39929759
Li       3.05173005       2.20599006       4.10481003       0.33125076       0.66980273      -0.36688857
Li      12.28280005       9.87866000       1.99710003      -0.93310920       1.16031328       0.13867963
Li       3.56309006       4.95007003       1.58560995       0.18885998      -1.19629575      -0.43920267
Li       4.20942995       1.12736997       0.48983503      -0.13296725      -1.36336102      -0.78018010
Li      11.05990002      12.03450004      10.00660002      -0.34017350      -0.05584577       0.55263944
Li      11.92460001       3.95526995       2.00205999       7.84587723      -9.07956049      -4.15972837
Li       4.38628006       5.43835006       5.53027997       3.75647544       0.12258095       0.24308709
Li       2.19617005       7.12691996       4.25173004      -0.16185835       1.17725120      -0.87308199
64
Lattice="12.40919302 0.0 0.0 0.0 12.40919302 0.0 0.0 0.0 12.40919302" Properties=species:S:1:pos:R:3:forces:R:3 energy=-537.00132921 stress="-0.018716739016592696 -0.0020386003500470003 -0.0016621995699015008 -0.0020386003500470003 -0.01457130350481769 0.0012282433125365452 -0.0016621995699015008 0.0012282433125365452 -0.016141791488061143" free_energy=-537.00132921 pbc="T T T" config_type=melt 
Cl       1.08225995       6.83524994      12.21540002       0.00765777      -0.23875909       0.58537614
Cl       4.33485004       8.24551998      12.37151387      -0.00237623      -1.54285835       0.14577968
Cl       9.29085998       8.52320000       3.20231995      -1.03122651       0.27170042      -1.53480848
Cl      11.99785508       3.01991002      10.27379997      -0.22304395       0.23567294      -0.70424939
Cl       9.93140006       6.45570001      11.03699997      -0.05296803      -0.47872876      -0.44690646
Cl       0.72030700      11.87979997       0.32461605       0.27383765       0.61394130      -0.20905417
Cl       3.19811001       1.13153996       3.44545004       0.27212281       0.95801843      -0.44374793
Cl       8.35318003       4.72167995       7.21237003       1.62891437       0.46066150       1.08014574
Cl       6.29111005      11.41570000      12.34464859       1.51488525       0.02763136       1.21926607
Cl       3.46800003      10.66570004       2.04389001      -1.26012100       0.98098386       0.97526881
Cl      10.80960002       9.77545001      11.40599998      -1.34080270      -0.13441379      -0.62881418
Cl       4.28062000       7.87292999       9.11508004      -1.05112927      -0.53441734      -0.21868321
Cl       4.75872003       8.68803999       5.46495996      -0.26287212      -0.39821360       0.00545014
Cl       3.14225002      11.31770001       7.85087997      -0.86716585       0.28574086       1.85135248
Cl      11.51380000       2.96612002       6.20791994       0.32152048       0.74516721       0.26409466
Cl       8.73105001       5.34833005       2.97256002       0.08786440      -0.40025991       1.04093691
Cl       9.84900997       0.31466202       8.64854997      -0.36035300       0.31925724       0.41128358
Cl       6.47266995       2.51239004       2.53265003      -0.87394640       0.49277334      -0.32688221
Cl      11.70440000      10.22530001       7.48799000      -0.18764866      -0.78732414      -0.61513281
Cl       6.25446000      11.99969995       4.41257998      -1.20134019       0.20459899      -1.02276778
Cl       9.07118003       0.60961501       4.11622004       1.96528230       0.88884506      -0.42754401
Cl       1.59409995       9.63778999      10.27709995      -0.33179319       0.60001695       1.41389295
Cl       5.80151999       2.28018996       7.97179006      -0.25506557      -0.27044015       0.68622695
Cl       9.80399996       0.97779403       0.13160694       0.28873292      -0.02644267      -0.75364674
Cl       5.15292001       4.78655000      11.85729999       0.58454032       0.02966198       0.19998674
Cl      11.63060004       6.42961005       6.75523000       0.93260905       0.49361831       0.76026082
Cl       2.23749998       2.93382001       0.01313761      -0.63131718       0.39493596       0.75993751
Cl       1.41649002       5.72342000       9.33446005      -0.00947779      -0.97763756      -0.35421374
Cl       8.43791000       8.33767003       6.62872002       0.85561237       0.17391834      -0.18498906
Cl       0.27783699      10.89050001       3.42031001      -0.58904424      -0.89311672       0.53089793
Cl       2.52737004       4.74505999       4.87923004      -0.16447309       0.54431354       1.16272584
Cl       6.42495003      10.91600004       8.30762998       0.61612977       0.39393894       0.78970592
K        3.64765995       4.42277004       2.57595005       1.24242755      -0.70404641      -1.70242380
K        7.92511995       3.32967004       9.90219006       0.15832775      -0.31177336      -0.49873523
K        1.01906998       2.60921004       4.11021002      -1.12258455      -0.26488479      -0.12756021
K        6.22514005       4.10508006       6.04496999      -1.80515549       0.25024574      -1.49187703
K        8.16203006      11.52469999       6.13784994       0.67377377      -1.22082070       1.57145717
K        2.18642995       6.82506001       6.74698000       0.62409567       0.83083554      -0.11916800
K        3.66147995      11.59579995       5.37855996       0.04951149      -0.55889436      -0.95893985
K        6.96673006       8.18007005       8.85190004       0.59928560      -0.41875417       0.77157339
K        8.66439006       3.40753003       0.82664795       0.03684929      -0.24196690       0.38967362
K        7.89351994       6.43036006       0.60564605      -0.58629033       0.93618809      -0.13734524
K        3.95787997      10.86619996      11.40080003      -1.44134220       0.41303571      -1.51246311
K       11.20289996       8.68240002       4.92405999       0.92816787       0.59020249       1.30980126
K        9.44281998      10.94260001       1.54932001      -0.17316527       0.27723952       0.47809798
K        1.80614998       8.23390001       2.13128995       0.41636456       0.39320819       0.77786405
K        0.31867304      11.79489999       9.47211994      -0.24942739       1.02637717      -0.14661793
K        3.71584003       2.97480000      10.07510001       0.35808878      -0.23189132      -0.83725585
Li       0.34080695       1.72758998      11.83435006      -0.13409058      -0.67688285       0.72429802
Li       0.73584604       4.71711994      11.41860003      -0.13316603      -0.17295891      -0.15465975
Li       1.83578996       7.84286996       9.62152998       1.05297336      -1.21022758      -0.27400501
Li       8.00104002       7.62903996       4.72809997      -0.37288548      -0.29736412      -0.57120897
Li       4.94380004       9.64190997       1.30998999       2.31124459      -0.10194677      -0.01872431
Li       9.38253004      11.30869999      10.58000004      -0.14073549       0.71806639      -0.25323780
Li       4.75747998       9.74745996       7.80547002      -0.81169256      -0.25553784      -0.53586094
Li      10.25459998       5.06816001       6.14091005      -0.90156729      -0.89284146      -0.47231006
Li       5.06877997       0.03703983       2.49053000       0.43425213       0.25934222      -0.07098756
Li       1.65714994      12.22290001       2.59303006       0.30873605      -0.26117880      -1.02346240
Li      11.08800001       7.55896996       9.38593003      -0.12851392       0.30107727      -0.19189955
Li       7.30603996       1.81345999       4.36061996      -0.00226424      -0.82103011      -0.12191488
Li       0.07470694       9.56676995       0.16940695       0.88299321       0.44998818      -0.38432747
Li       3.43218995       6.20697002      11.94130005       0.01887502       0.40837595      -0.45438365
Li       0.07910699       4.11482996       8.10666000      -0.34017857       0.15293325       0.10799116
Li      10.70249999       1.11088002       6.79402002      -0.40645176      -0.79689971      -0.08253671
64
Lattice="12.40919302 0.0 0.0 0.0 12.40919302 0.0 0.0 0.0 12.40919302" Properties=species:S:1:pos:R:3:forces:R:3 energy=-537.084507 stress="-0.016761356938656935 -0.002625911778627297 -0.0024490423771386495 -0.002625911778627297 -0.010689574437460173 -0.0039336294002674296 -0.0024490423771386495 -0.0039336294002674296 -0.02298248835488188" free_energy=-537.084507 pbc="T T T" config_type=melt 
Cl      12.00640005       6.67354004      10.92140002      -0.06162123       0.04969928      -1.46326144
Cl       7.54041003       6.86231005       9.27980004      -0.87161215      -0.17000552       0.56890524
Cl      10.05229997      11.67679997       0.83937097       0.40546565       0.94244307      -0.32534824
Cl       5.64395004       6.52479005       0.07244487       0.03309648      -0.05048859      -0.29139707
Cl       8.96932997       7.08692004       1.51365004       1.99011800      -1.48102883      -0.88919264
Cl       3.90316995       9.13379000      10.32570006      -0.67991466       0.08946558       0.20779628
Cl       3.49767996       0.83750798      10.30809998       0.00458815      -0.99778077       0.08440351
Cl      11.56340004       2.62699998      11.72050006       1.14399580       0.99354138      -0.18540321
Cl       0.67402604       2.30913999       5.08095004       2.29777907       1.74908105       5.05136068
Cl       8.90518003       9.77521994       6.38752998      -0.70033197       0.05017957      -0.63893346
Cl       4.67811003       3.80374998       7.18413006       1.10538226      -0.94167692       0.12820316
Cl       2.51842004       4.20581999       0.97771498      -0.28880517      -0.10733171      -0.30167064
Cl       0.84892394       7.88003003       2.35737998      -0.04796063       0.63747615      -0.93032939
Cl       4.65092000       9.26421000       3.98565001      -0.81659572      -0.59886280      -0.10228812
Cl       2.46183002       6.17127001       9.17263995       1.28578907       1.15247304      -0.52378846
Cl       8.46059996       4.30650000       7.09724995      -0.19674039      -0.85297852       0.13617776
Cl      12.34945467       4.31961006       8.49781997       0.91491320      -0.57433197      -0.80298964
Cl       7.31833002      10.32700005      11.88760002      -1.71304921       0.55538466       2.15646194
Cl       6.86378997       3.03272996       1.60160999      -0.82309766      -0.79524690       0.18917202
Cl       1.02318003      11.17359999       4.71212996      -0.64953950       0.45511212      -2.11197317
Cl      10.24229998       3.16657006       2.92842995      -0.99748377       0.73076390      -0.01149510
Cl      10.07699998      12.28692599       8.13884001       0.03053410       0.51748219       0.33561008
Cl       5.21774005       5.83388006       3.27363000       0.65566663      -0.21893661       1.55387011
Cl       7.64285003       1.50596006      11.15650000       0.71128951      -0.31675865      -0.44225137
Cl       1.96376001       7.44579998       5.70234001       0.22846643       0.15145259       0.60068324
Cl      11.87130004       8.61433001       8.62681006      -1.33981278      -0.15383321      -2.16031299
Cl       6.07856006       0.23820402       6.13357001      -1.00261385       0.50238918      -1.01961944
Cl      11.02599996       6.92663000       5.05133997      -1.11832805       0.42057945       0.66883987
Cl       6.50048999      10.66119997       8.95256006       0.70548621      -0.83375491      -1.82006252
Cl       2.24650000      11.46050004       7.41689996       0.49116588       0.15370314       1.01953499
Cl       7.13748006      11.53289999       3.10171006       0.37509176       0.57262707      -0.56952408
Cl       3.87376004       0.80748406       3.35709001      -0.11514944       0.60884275       1.56896535
K        2.12856997       4.21998000       6.59450998      -0.39909001       0.50676648      -0.20537414
K        8.12146999       6.94065995       6.63680002       0.49161819       0.70653123      -1.18194636
K       10.61160005       2.71216998       6.47577001       0.29553420      -0.36141156      -0.39655518
K        4.58486996       6.61452998       7.26182005       0.27180782       0.66157334      -0.23806065
K        4.14741005      12.12010002       0.98640005       0.52097450      -0.69002074      -1.21677916
K       10.02580002       4.27928006       9.66122996      -1.54112163       0.50761607       0.92352067
K        5.05172006       2.78696999      11.25750003       0.37494795       1.50740300       0.58149776
K        8.85764996       8.55654995      11.03470005       1.88764827      -1.39414549      -0.22951953
K       11.57529996       5.54279005       0.66727197      -0.32475065      -1.01838301       2.42191681
K       12.36448803       1.55861003       3.08747001      -0.99360907      -2.79022753      -5.51937301
K       10.66900001       9.83870997       2.99475994       0.12370761      -0.59187259       0.43462182
K        7.13733996       8.46724000       2.49910997      -1.94908077       1.01587931       0.57857879
K        0.94945801       9.04667002      10.49340000       2.16219386       0.74025481       2.41290475
K        0.56085495       5.56795006       3.86291006       0.53461365      -0.80518245      -0.27977410
K        0.74123994       0.77692803       9.84521003      -0.42079404      -0.07307264      -0.52190549
K        7.44159997       1.71798006       7.97999006      -0.08690955       0.82098955       0.71627722
Li       4.55268002      10.87779995       9.27982002      -1.94275094       0.82278037      -0.08886095
Li       5.55810001       7.84124994      10.76500001       0.63277059      -0.25897809      -0.02767024
Li       1.37621003       9.74436002       6.13690002       0.41179595      -0.95997151       0.85929279
Li       5.25713005      11.21179996       4.28191999       0.41340126       1.10878753       0.23219661
Li      10.76940006       9.79101995       7.40010003      -0.57915091       1.01629040      -0.57911864
Li       7.43901997      11.48079999       7.21061996       1.20039915      -1.17541261      -0.45258016
Li       2.61247998       0.51280295       5.49322004      -0.33880036      -0.31106745      -0.06552401
Li       8.22905000       4.38297003       2.41260002       0.67147991       0.97064221       0.23702268
Li       2.42273002       9.06669002       3.33777994       0.07649030      -0.17020246       0.59056713
Li       7.37243001      11.68620005      10.39449998       0.89162623       1.57609320       0.90451481
Li       1.57079003       4.68429006      10.13439994      -1.02243214      -0.77743903       1.17646019
Li       0.52730396       6.74371998       8.21490998      -0.18463404      -0.33510437      -0.34878706
Li       5.73073001       2.25640998       4.31466003      -0.27983942      -0.16017668      -0.14211657
Li       4.13831994       5.76077998       1.52221995      -0.44414798      -0.17220345      -0.67520053
Li       8.03185999       1.09704004       1.71247000       0.14609387      -0.66823387       0.05960591
Li      10.19209996       1.19309998      11.80190002      -1.55616380      -1.48818224       0.36002458
64
Lattice="12.40919302 0.0 0.0 0.0 12.40919302 0.0 0.0 0.0 12.40919302" Properties=species:S:1:pos:R:3:forces:R:3 energy=-538.7731545 stress="-0.014341199210937832 0.0008104571700413618 -0.002703265422658201 0.0008104571700413618 -0.008681505908540093 -0.005609885354282658 -0.002703265422658201 -0.005609885354282658 -0.008219786875571915" free_energy=-538.7731545 pbc="T T T" config_type=melt 
Cl       3.83201005       5.92483994      10.24470005       0.37704337      -0.21977321       1.91889163
Cl       6.48877001       2.77069000       2.62373003      -1.47140245       0.06604379      -0.45745383
Cl       2.41574004       5.81955005       5.45636002       0.27476958       0.20982298       0.38666875
Cl      10.27309997       8.24071005       0.00870406       0.44131999      -0.20589365      -0.12384411
Cl       6.35684006       0.36530704      10.88069998       2.32035041       0.21947467      -0.67544217
Cl       0.62506297       6.09800005       9.49879996      -0.57243643       0.10584634      -0.52359289
Cl      12.03419999       3.52575998       3.33949998      -0.06989007      -0.01647562      -0.24277746
Cl      11.23830004       4.45070003       6.45498995      -1.26627033      -0.97000309       0.19601841
Cl       1.51493997      12.13812102       8.04000997      -0.01696518      -0.02369230       0.55633051
Cl       9.40901994      11.43560000       0.67911294      -2.14476168       0.74987683       1.43816787
Cl       6.15748005      10.23700002       8.17437001       0.28698800       0.36319533      -0.20232153
Cl       7.89494005       3.55817999       9.76209002      -0.16790317       1.15121440      -0.34437453
Cl       8.95287004       1.27722004       7.78290005       1.49218232      -0.00931883      -0.15310677
Cl       2.92758997       1.73483000       0.61506897       1.31042558       0.38272577      -1.46935019
Cl       1.89362995       2.78134999       6.81298996      -0.02946550       0.23717037       1.02929322
Cl       8.89590999       6.29665001       3.53863998      -0.70569281      -1.22343415      -2.65273478
Cl      11.07430002       0.38602294      10.84969995       1.03703607      -0.59336666       0.01116610
Cl       5.53008006      10.18990006       1.18124002      -0.98047144       0.63851517       0.03746449
Cl       9.07747001      11.91510003       5.13763995      -0.62544263      -0.11702462      -0.28057618
Cl       6.70941005       7.44808005      12.30240000       1.97815306      -0.66924553       0.24601883
Cl       5.38877000       1.89787997       7.79891995       0.08656573      -0.28773751       0.30902168
Cl      10.49739998       4.43563999       0.06970703      -0.06642932      -0.11748950      -0.07019032
Cl       3.75381005       6.10675995       1.78392995      -0.71826601       0.11811832      -0.75947622
Cl       4.05213996      12.12850005       5.74190994       0.24132690      -1.13983716      -0.87357791
Cl       8.95034998       8.44872995       7.95832001      -0.03650997      -0.13476745      -0.78192690
Cl       7.10378997       9.09533999       4.51609002      -0.21132837      -0.41601446       0.79884978
Cl       0.88837698       0.52754197       3.03665995      -0.31224455      -0.58800732       0.19365574
Cl      12.17090003       7.03875003       4.40152997      -1.95909780      -0.22038465      -1.09929384
Cl       0.33400398       9.67499002       6.14839006      -0.70260834       2.07511252       1.57587666
Cl       1.54107001      11.25219994      12.02869999      -0.10270814      -1.86322348      -0.95742535
Cl       3.49256005       8.14647998       7.94815005      -0.22584346       0.88872410      -0.52718979
Cl       5.52913001       5.54696996       7.18055001       0.61905982       0.01670778      -0.63771617
K        7.97596005       9.15107005       1.85727002       0.85732497      -0.31258754      -0.19153684
K        3.01359995       3.12708003       2.90481004      -0.14969334       0.46662574       1.03745071
K       11.28290004      10.66809997       3.99625999       0.43662570      -0.47557829      -1.01367627
K        6.02315003       3.25448001      11.97220006      -0.60623751       0.35880261      -0.09163287
K        9.06103006       1.89285996      11.64850006      -0.50850986      -0.00308775       0.58655106
K        9.03722997       2.83840001       3.10395004       1.87908539       0.21283604       0.41988702
K        4.22172002       8.76738996       4.17900000      -0.46794292       0.13823895      -0.07417083
K       11.46479995       1.12909994       5.61908996       0.20437634       0.13365159      -0.04053228
K        6.11040999       5.85717000       3.08697997       0.29009535      -0.19215290       0.32579130
K        2.17400003       8.85812002      10.51340002      -0.06988852      -0.35241135      -0.21230096
K       11.20839996      11.04490003       8.65877006       0.00669974      -0.55817106      -0.61626212
K        9.85141996       6.24837006       9.55514998       0.22553602      -0.68784477       0.59060239
K        6.33592002      12.15269996       3.32842999      -0.19415312       0.03640207       0.24621068
K        7.83044997       9.45701994      10.60050003      -0.09714775       0.50709933       0.22938993
K        1.09692998       5.08433005      12.18629996       0.28341502      -0.17135762       0.28157458
K       11.85239997       2.10161001       8.80657000       0.34371845       0.74241558      -0.29756212
Li       6.51502997       3.69633005       7.77204995       0.53459087      -0.17684710       0.54298941
Li       3.40459004       1.35563001       6.99037999       0.25884459      -0.60767161       0.32581361
Li       0.29920004       5.68621004       7.13434996       1.28360664       0.74130935       0.08546220
Li       7.69601994      10.28580004       6.35997003       0.03047186       0.18652757       0.22189705
Li       6.65509998       7.39737000       7.26857003      -0.05663355       0.87434073       0.34060682
Li       3.23044998      10.53299997       7.56342995       0.12445446       0.20991256      -0.43917531
Li       4.57381002       0.16940695      11.56009994      -2.56323646      -0.44004743       1.22178787
Li      10.34560006       6.08070002       1.54298996       0.02189170       0.45353264       0.19225568
Li       7.30243000       0.30822698       8.56973000      -1.48860102      -0.11120561       0.24255058
Li       1.26767997       0.45032502       0.71988000      -0.67324944       0.98565221       1.38889012
Li      11.16799997      10.93139997       0.00843552       1.89514713      -0.49647253      -0.84942844
Li       4.84223998       7.12653006      11.90529999      -1.95981360      -0.71820845      -0.04000342
Li       1.14239006       8.11883006       5.37976006       1.59929380      -1.81328313      -0.17139623
Li       0.76247703       3.26262999       5.24560998      -0.77136237       1.49561907      -1.17311175
Li       3.52131997       5.76588997       8.19608995      -0.49530400       0.24719885      -1.14268209
Li       9.50936998       6.95770001       5.21012999       1.74711224       0.91990304       2.20870777
64
Lattice="12.40919302 0.0 0.0 0.0 12.40919302 0.0 0.0 0.0 12.40919302" Properties=species:S:1:pos:R:3:forces:R:3 energy=-535.00611767 stress="-0.021845732533859727 0.002701494768934279 0.0037979008250424227 0.002701494768934279 -0.0120102260139034 0.0003090865348869782 0.0037979008250424227 0.0003090865348869782 -0.010725201239935608" free_energy=-535.00611767 pbc="T T T" config_type=melt 
Cl       4.23803997       7.85612000      10.66480000      -1.56288662       0.50967504       1.41100668
Cl      11.14659995       2.63205002       2.43737994       1.38120783      -0.08179193      -1.69179548
Cl       2.97995999       5.11841004       8.07227995       0.40671626       0.13244013      -0.01935446
Cl      10.25140002       7.64724003      10.85840004       0.55164778      -1.83603966       0.04754211
Cl       7.25092006       8.56773001      10.87130001      -1.93296533       0.20820524       1.10894542
Cl       2.73526001       0.80268604       7.02963995      -0.40147649      -0.06970468       1.65990654
Cl      10.58420005       7.58964995       6.85748002      -3.66337474       0.88990537      -2.83282177
Cl       0.93602295       8.68288000       8.59036004      -1.37070399       1.74482249       0.85827369
Cl      10.62549996       9.71757006       3.76657998       0.81512370      -1.25074536       0.02498721
Cl       0.66495405      11.59680001      11.22660003       0.52763711       0.27763726       0.35025083
Cl       1.52926998       3.17264994       4.86191996       1.56877399      -0.67669656      -0.29705053
Cl       5.60210996       2.91498000       8.37795995       3.44558191      -0.44302384      -0.20707848
Cl       8.87057004       1.59790995       9.62448002       0.32160498       0.21856663       0.85844596
Cl       5.25061001       1.24106002      11.48339996       0.48240251       0.59534083       0.20371621
Cl       7.61415004       2.98009004       4.63301006      -1.96182711      -1.43578277      -0.61678797
Cl       7.47449004       5.42602997       7.94793996      -4.94213453       0.87393740       2.75432424
Cl       3.71256003      11.87670003       1.56047997      -0.54997968      -0.12703192      -0.08609772
Cl       5.52829003       7.62416997       5.40810997      -0.87999536      -0.23739473      -0.78241474
Cl      10.33689998       1.86656997       5.70485001       1.14491932       1.90634883       1.82714760
Cl       9.25443999       5.21704005       4.15643997       0.53804829       1.29842526      -0.47498202
Cl       4.69987998       5.36545002       2.49278004       0.41448616       1.23572969       1.78209174
Cl       1.58931000       2.95788999      11.43669995      -0.33171353       0.50535093      -0.03021767
Cl      12.08670006       5.20331002       8.69384998      -0.20118553      -1.01423322       0.62048152
Cl       6.82767003       9.47137998       2.90913006       0.51472445       0.30623432      -0.11189484
Cl       4.02147994       9.43601006       7.75976001      -0.16811671       0.00107661       0.56925239
Cl       8.21058996      10.85360004       6.86718004       0.14149932      -0.26182362      -0.82740482
Cl       9.54307000      11.10699998       0.80859195      -0.83959764       0.91405303       1.21423492
Cl       1.42091998       8.52024003       0.97110101      -0.14994511      -0.45650437       0.72100746
Cl       1.51452997       7.59336998       5.44392005       0.04806652      -0.43301282      -0.55089596
Cl       1.50142996      10.90399997       4.62287001      -0.50679962      -0.51129438      -0.05869893
Cl       4.92564005      10.96060004       4.98282000       0.60144165       0.64364502      -0.10808275
Cl       7.83948995       4.46947005       0.27000704      -0.20039425      -0.36066316       0.25104937
K       10.61589996      10.20049999      11.04060000       0.66068807       0.78812064      -1.18022375
K       12.06680006       4.86586001       4.81605000      -1.33196754       1.24173134       0.19850660
K        0.86242105       1.16023001       1.27486999       0.69357053      -0.35121165       0.05607319
K       10.07880005       1.43205996       0.06360704      -0.32259632      -0.09040852      -0.72427599
K        7.58409002       1.10618004       7.17213000      -0.23376049       0.54745167      -0.56655530
K        6.63574995       0.32218906       1.68522996      -0.10506301      -0.54989164       0.09008785
K        3.96448005       3.82024006       0.61901894      -0.27432888      -1.44606757      -1.70279735
K        9.79043994      12.26039997       4.36321001      -0.68711778      -1.66151276      -1.14209624
K        8.36686998       8.87153002       8.69446994       1.36716121      -0.48597857      -1.85924959
K        4.85595003      11.14760000      10.01630004      -0.02194534      -0.23992633      -0.01960008
K        1.76197995       6.77851002      11.07689999      -0.83818851      -0.44625535      -0.25621956
K       10.75639994       4.90096996      12.02840006      -0.04298163       0.13304580      -0.22298640
K        3.72957998       1.27003003       4.50348998       0.16704488      -0.40909146      -0.32779399
K        4.70688000       8.34831997       1.48512006      -0.40882072       0.10210951      -0.19141841
K        8.30597000       8.20134996       0.88495999       0.96573554      -0.38181460       0.77669840
K        0.37575496       2.49666002       8.10691997       0.02982651      -0.28980206      -0.30542667
Li       9.10311000       5.33021002       7.35143998       5.85535529      -0.20413219      -2.41295156
Li       5.71231005       7.08841001       9.63942999       1.52117870      -0.49191049      -0.60848124
Li       3.16784001       6.24166997       4.61038996       0.39298128      -0.25780162       0.04528811
Li       3.52905003       9.38275998       5.61192005      -0.25162272       0.35021096      -0.16865804
Li       5.96131006       6.13888003       6.69156998      -0.33171094      -0.97336244       0.16556570
Li      11.74090002       9.16219998       5.77249997       0.21553522       0.30355003      -0.39943203
Li       6.86086003       2.59220001      10.35529996      -0.02092388      -0.15959933      -0.03540045
Li       7.05636997       4.56571004       2.96501002       0.39884430       0.16196511       0.12043275
Li       3.78857999       3.05670005       8.60401003      -3.57624939       0.02655946       0.24821044
Li      11.85480004       7.08231995       8.02425998       2.42453937       0.05093745       2.65122647
Li       1.87705003      10.62730004       0.84757804       0.24660488       0.58394936      -0.40461182
Li       6.86735997       9.37033999       5.25438998      -0.05540822       1.02734029      -0.25854169
Li       0.38010698       8.83711994       3.15679000       0.03353851       0.64118576       0.25699555
Li       9.73027000       2.93877003       3.71661995      -1.77260188       0.86821789       2.00811297
Li       2.00909997       7.11027997       8.09499002       1.51375321      -1.05214971      -1.05180953
Li       1.71754003      11.33100006       7.92337001       0.54814420      -0.40111005      -0.34575408
64
Lattice="12.40919302 0.0 0.0 0.0 12.40919302 0.0 0.0 0.0 12.40919302" Properties=species:S:1:pos:R:3:forces:R:3 energy=-535.70027473 stress="-0.019412803330303097 -0.0020747978573923778 0.0031818243967725235 -0.0020747978573923778 -0.02436253194139731 -0.005767794561492082 0.0031818243967725235 -0.005767794561492082 -0.012750550853625338" free_energy=-535.70027473 pbc="T T T" config_type=melt 
Cl       1.74883998       5.71716006       0.77358401       1.90328568      -0.53721440      -2.00461768
Cl       0.51892701      11.57440005       1.78539002      -0.98063609      -1.10895055       0.54292330
Cl       7.59932999       9.15000000       7.59278005       0.21426459      -0.37769943       1.02887321
Cl      11.75400004       6.41801999      10.30129999       4.60601385       3.27968713       0.96630215
Cl       9.27922003      10.16479998       4.32428994       0.04449068       0.16155366      -0.11150351
Cl       5.24970998       5.45183004       2.00463006       0.50058226      -0.30136604      -0.46698224
Cl       1.90829997       8.74763006      11.90140003       1.48203293      -0.06073815      -0.53556607
Cl       4.19743001       2.16469996       6.51676999      -1.47962588       0.15600290      -1.84422180
Cl       6.06000000      10.56989995       4.88967002      -0.20023543       0.73599872      -1.27388670
Cl       0.60616302       1.15949005      11.04000001       0.39657294      -0.93017433       0.16900062
Cl       0.72889900       0.34336696       7.51224004       1.00867339      -0.97275155      -1.76847205
Cl       7.26628996       0.62772201       7.14365003       0.97582206      -1.79022992       0.16514214
Cl       3.35242006       7.79498996       3.12619005      -0.64373443       0.16155693       0.23278438
Cl       4.66258998       0.30430195      11.26100005       0.19033087      -1.58426828       0.04904601
Cl      10.43870003       2.02669000       1.20785004      -0.09036985      -0.26973692      -0.08489704
Cl       0.16390596       4.02379996       3.85654998       0.97390907       0.19282208       0.07651897
Cl       9.62067995       3.55112003       6.18357000      -0.32291847      -0.57852399      -0.13119589
Cl       4.70042002       6.28886995       5.92580004      -0.77924487      -0.48739749       2.36145167
Cl       7.69203994       6.60281000       4.00235005       0.29106347      -0.00279235      -0.01459566
Cl       2.36836001       2.02066000       1.73590997      -1.14818872      -3.10767606      -1.74480235
Cl       9.68478001      10.89299997      11.41870004       0.25356565       0.50649424       0.03273912
Cl       3.78432996       5.01920996       9.05350996      -2.14957710      -1.40047925       0.81110121
Cl       0.09626903       7.85183002       5.98115000       0.30937637      -0.50825157       0.86333447
Cl       6.01866002       6.58728001      11.09239994      -1.94928280       1.10622407      -0.72686925
Cl       6.98598999       2.61932998      10.36979997       0.99025917      -0.00394032      -1.24231430
Cl      11.61519999       8.16634002       2.49937999      -0.94938281      -2.17291779      -1.72234290
Cl      10.63430006       2.30257999       9.53804999      -2.15136465       1.81701663       1.08157326
Cl       8.55481006       6.03084001       0.23725695       0.46897967      -0.09569035       0.56112177
Cl       5.80040006       1.29480995       2.66601994       0.15485390       0.00547364      -0.10432341
Cl       5.91892001       8.95328004       0.67749702      -0.56490666       3.76740739       0.20362985
Cl       8.56378004       6.02122003       8.94373005      -0.64140278      -0.51475013      -0.55686111
Cl       3.88852003      11.01350006       8.27416995      -0.35183544      -0.92785193      -0.07074741
K        8.57926002       8.38234995      10.57399995       0.11870181      -0.55990852      -0.02069716
K       12.26980006       9.91622995       4.16914996       0.53715706       1.76001137       1.11962675
K        3.03547004       4.06004002       2.68623998       0.76408920       3.00513906       2.24110892
K        1.52340999       3.78422002      11.28420003      -0.29633165       0.01370323      -0.68982598
K        9.77083999       6.38206001       6.11047998       0.12360380       0.47271445       0.59572553
K        1.32707000       9.12972996       8.70981999      -0.08097776       0.08800894      -0.06568395
K        2.04616995       1.28084998       4.66837998      -0.12690131      -0.23209225       0.44060625
K       10.06300005       4.68202005       2.86270999      -0.89606406      -0.19969920      -0.41814526
K        5.89372004      10.45090001      10.27919996       0.28963930      -0.39220179      -0.36501473
K        2.94632996      11.75849998       0.73775606       0.49199159      -0.53094412      -0.16787059
K        5.15929995       2.57081004      12.21740001      -0.44987735       1.67938568       2.19147260
K        4.89457997       8.88825997       6.67159999      -0.27368116       0.48311002       0.09997308
K        3.71107999       1.26470996       8.93020006      -0.86356020       0.33605299       0.35268769
K        1.94478995       5.43480004       5.99319995      -0.43318088      -0.03481368       0.23124977
K        7.94728004      11.40780006       1.40882003       0.00663394       0.23519288       0.48012508
K        6.58571000       3.03144003       6.70408006       1.28046789       2.84002322       0.25141929
Li       6.87326004       4.73045995      10.95080000       1.44367062      -0.31009484      -0.07947745
Li       0.53747900       6.19916004       2.11254995      -2.04771444       1.22403376       2.44241084
Li       4.92269994       9.18110005       2.86880998       0.58326837       0.36537048       0.31484876
Li       9.18424999       1.45856004       8.29110999      -0.85074031       0.27935428      -0.80099639
Li       6.25710005       7.12221997       0.94820803       1.46611876      -3.27841428       0.21668119
Li       8.01289998      10.93489998       6.48788002      -0.15819012      -0.07878482      -0.80141636
Li       5.32760000       5.99017000       8.44035995       1.91641459       1.08088286      -0.51372632
Li       0.06021462       9.51681997      12.07570005      -1.38700334       0.52728504       0.79085306
Li      10.37049998       5.39849000       9.96825996      -4.22850484      -3.31132982      -0.79507692
Li       3.62360994       6.89706001       0.07974036      -0.06695526       0.30316834       0.14801869
Li       0.12510998       1.20756004       1.86772998      -0.42279463       1.02036247      -0.55648730
Li       6.69074998       0.81490004       4.61826000      -0.28896542      -0.84473012       0.26503842
Li      10.26619996       0.86146095      11.49859998       0.53242742       0.24884266       0.21568622
Li       9.10563999       8.12515999       3.24450004       0.42798716       0.45148203      -0.12833219
Li      12.05479999       1.21559003       8.86418998       1.28569810      -0.55502369       0.83237673
Li       5.62439997       5.79000004       4.33311995       1.24220252      -0.24292323      -2.56850102
64
Lattice="12.40919302 0.0 0.0 0.0 12.40919302 0.0 0.0 0.0 12.40919302" Properties=species:S:1:pos:R:3:forces:R:3 energy=-536.28374854 stress="-0.017589876642893527 0.005423861762294916 -0.0010976852346789657 0.005423861762294916 -0.02289214452629217 0.0007465267215063835 -0.0010976852346789657 0.0007465267215063835 -0.009044595528278477" free_energy=-536.28374854 pbc="T T T" config_type=melt 
Cl       9.06640001       5.90206001       1.06462004      -0.39337768      -1.85042771      -0.28513994
Cl       1.93432999       8.86222002       3.15187000       1.01717897      -1.95051593      -0.47942816
Cl       0.62456399      11.17450003       6.29709997      -0.77149594      -0.06716849      -1.61687665
Cl       6.51198997       3.20511003      10.95650004       0.56764308      -0.05111796       0.28510123
Cl       9.26190995       1.30272999      11.38380006       0.43870278      -0.81045020       0.04375457
Cl       6.17053005       7.63171997       2.90548002       1.42650559       1.22497046       0.61596484
Cl      11.94829996       7.76302003       8.38661002       1.71306835      -0.27427823       0.88443974
Cl       2.80213998       0.88080998       7.91706999      -0.18722999      -0.32673617      -0.89859499
Cl       2.22680996       7.28838999      11.89050004      -0.21076820      -0.17707660       0.79053651
Cl      10.79839997       1.65287001       7.31380005       0.98597424       0.61124107      -0.22641885
Cl       7.60735998       0.11965701       1.69395995      -0.81268029       0.12708005      -0.68413263
Cl       8.49294006       9.48799999       0.59140799      -1.31214633       3.37336645      -1.99544622
Cl       0.15974503      11.21890000       0.87415605      -1.95421270       0.91882483       1.05144013
Cl       5.17104004      10.15089995      12.21309997      -0.15556524       1.35994792      -1.14713373
Cl       7.07554999       2.45889996       6.77120994       1.07491989       0.77442761       0.59214526
Cl       2.71510004       2.40954004      11.75369998       0.68930177      -0.46203350       0.24445857
Cl      11.15499998       1.63102003       3.24337006       0.38101546      -0.01539609       0.68730705
Cl       1.92167001       3.89841003       1.86275997       1.09323542       1.01906095       1.13345817
Cl       9.26465003      11.03530003       3.84771004       0.01146002      -0.76386690       0.67845699
Cl      10.11420001       4.93859997       5.08382004      -0.78971772       2.38077600      -1.01056610
Cl       7.54912997      10.40879996       9.82500997      -0.11701404      -0.24800454      -0.61411764
Cl       2.62865003       4.99961001       9.86832997      -0.55824650      -0.70387864       0.18724498
Cl       5.39462999       4.28345004       3.14237002       0.00586509      -0.43715998       0.04610760
Cl      11.67780002       7.74891996       1.04446999      -0.91000832       3.17243850      -0.06588380
Cl       9.90057997      10.27130002       7.16517005      -1.18760783      -0.85230548       0.54155100
Cl       3.53646998      12.35960005       3.29397003      -0.25804409       0.15902061       0.13059381
Cl       6.60246998       6.71375004       6.93940005      -0.15251931       0.62109976       0.26599885
Cl       4.45015006      10.54230004       7.64128994       0.02820652      -0.43504879       0.03306742
Cl       8.17876001       6.60658996      10.18070000       1.55611321      -2.13423399      -1.43263844
Cl       2.21978995       4.10399996       6.23356006       0.20127229       0.99996503       0.34719434
Cl       1.07094004      10.59150001       9.91709003       0.22063392      -0.61889559      -0.31000620
Cl       5.33344994       6.45021005      11.81360003      -0.24651935       0.42358658       0.68809850
K        2.98851998       6.37782996       7.68989005       0.43134293       0.85429358      -1.12389765
K        8.75088002       2.58661004       2.36711996      -0.85115474       1.11138108      -0.12289527
K        9.79765998       7.01929006       7.14355994      -1.48961714      -0.13122952      -0.24569395
K        1.61899006       1.83129001       5.15440005      -0.59600748      -1.47817345      -0.58156670
K        6.69915001      10.01080003       6.22721003       1.09643918      -0.47359075      -0.46892489
K        3.75661999       6.78789001       2.32449004      -1.15242228      -1.13691196      -0.06014656
K       10.62499999       9.14320994      10.80099995       0.46226130       0.36725595      -0.07777690
K        8.48459003       0.65748906       8.28871005      -0.42056222      -0.70816403       0.83087722
K        9.71899004       3.86129997      10.50330006      -0.36374345       0.60780295      -0.29039017
K        1.00840999       2.38108998       9.50882001      -0.56317944      -0.11242154      -0.47714588
K       12.25089999       5.42505001       1.36540994      -0.65949846      -1.90506903       0.16673625
K        5.01701999       1.71185997       5.50229997      -1.56772762      -0.26219292      -1.08020836
K        2.24439006       9.99170005       0.08811371       1.08775348      -0.01491300      -0.18680806
K        4.32761995       2.57858998       9.33035000       0.81538661       0.61755357       0.00561359
K        0.70921504       1.57644006       1.21369999      -0.22487088      -1.04051262      -0.30180516
K       12.00539999       8.23202002       4.26905997      -1.03881979       0.09020017       0.37230753
Li       9.00784997       7.96069996       1.41985999       1.58193396      -3.04863414       1.99683836
Li       3.00688000       5.19094996      12.06470005       0.29372965      -0.20054031      -0.46233443
Li       7.61422996       8.28540995      10.85999995      -1.08004746       2.27195446       1.36278966
Li       5.31591004       9.69511004       9.41055000       0.11274774       0.15507276       0.90945781
Li       9.83993997      11.95620002       1.86128998       0.50826815      -0.15674075      -0.02210655
Li       1.25833002       7.86966997      10.05310000      -0.54634431       0.56327365      -0.46999788
Li       2.37304001      11.06579997       7.34892997       0.03078794       0.35639088       1.10881603
Li       7.66483998      11.95509995      11.44550005      -0.04471101       0.26432711       0.94214766
Li       6.76426998       5.89529005       5.00528995      -0.22030468      -0.49576909      -0.99967180
Li       7.17670006       5.16887997      11.71150004      -0.20778443       0.35704349       0.37743160
Li       7.29848003      10.54420001       2.68130000       0.33540434      -0.09834906      -0.36094052
Li       3.84834006       3.01429002       1.37478000       0.74028710      -0.32795608       0.13211470
Li      10.77929999      11.92709997       6.33554998       0.84106157       0.45196364      -0.65254309
Li       5.39659995       8.55611005       0.94124399       0.70813978      -1.58175844       0.33040364
Li       1.86878997      10.75729998       3.48616994      -0.07644642       2.54351114       0.42099511
Li      10.73280002       3.23601004       5.66611000       0.66375504      -2.42630877       0.54778849
64
Lattice="12.40919302 0.0 0.0 0.0 12.40919302 0.0 0.0 0.0 12.40919302" Properties=species:S:1:pos:R:3:forces:R:3 energy=-539.34452039 stress="-0.010753878583871045 0.0026321451737913166 0.002598458113763534 0.0026321451737913166 -0.008681859508756603 -0.002538943021131369 0.002598458113763534 -0.002538943021131369 -0.01246871457281971" free_energy=-539.34452039 pbc="T T T" config_type=melt 
Cl       9.14231995      11.70689995       8.18542003       1.48150563      -0.07496213       0.89423591
Cl       1.04231004       1.55873995       7.26741994       0.90528221      -0.02961982      -0.28616082
Cl       2.29974995       7.30685996      10.91050003       0.35649271      -1.13516455       1.36284399
Cl       8.70869001      11.91209998       0.00710699      -0.83360624      -0.37724828      -0.65592216
Cl       5.97098998       0.17017806       1.70292994      -0.21043099      -1.21485620       0.29720243
Cl       2.20258994       1.47380002       2.68871995       0.07677044       0.50524745       0.25858278
Cl      10.54319996       5.02807000      10.52500001       1.08065214       0.41074062      -1.19702406
Cl      12.06689995       9.56110006      10.99119999      -0.44588656      -0.04570332       0.19387385
Cl      10.14860003       5.09759995       1.36895003      -0.29559074       0.01661207       0.09428210
Cl       4.80969004       0.02823749       4.88694000       0.86609489       0.75421269       1.81987466
Cl       8.01433001       7.54454006      11.80460001       0.77324357       0.37165520      -0.20232478
Cl       3.26293997       4.87252995       1.08568998      -0.12754487       0.15936722       0.39310415
Cl       6.33208000       4.74756999       4.30858995      -1.93991022       0.33554233       0.39072169
Cl       6.00053006       8.56004004       6.78042005      -0.37935395       0.83429155      -0.05566404
Cl       4.89076997       8.14458001       2.43520002       1.59897105       0.83114903       0.76322788
Cl       6.82560998       4.16005998      11.71449996       0.04205882      -0.46448912       0.02067921
Cl       2.46523002       5.27263000       8.41445998       0.23093943      -0.39694925      -0.35775127
Cl       2.40295001       0.53360299      11.90109998       0.70455083      -0.09999216      -1.59628735
Cl       6.04553994       1.77355004       8.34601000      -1.07259713       0.46631730       1.01139528
Cl       9.93622997       3.17440001       6.63938994      -0.11034566       0.21760927       0.00879440
Cl       1.88783002      10.43190004       2.91221002       1.08245782       0.88995300      -1.28811444
Cl      11.30519998       1.20051001      10.58740001      -0.07452285       0.93676052      -0.64333739
Cl       2.32046003       6.47218996       4.60302995       0.01189283       0.11959035      -0.18622143
Cl      11.53230000      12.31920006       0.85618406       2.67585304      -0.97546577       1.72921184
Cl       9.16557999       9.99247004       5.55490998      -0.08913580      -0.20130150      -0.79813243
Cl       3.30975998       9.85737004       9.60825996       0.37153447       1.10370736      -0.58434872
Cl      10.25060000       1.84799005       2.61727005      -0.02712471       0.71127531       3.55561049
Cl       0.35253996      10.16949996       6.22379998       1.94870733      -0.07463324      -0.60866708
Cl       7.47493999       6.20878995       8.14420004       1.18266303      -0.71633522      -0.12387894
Cl      11.47939998       8.66808998       2.57083994      -0.15171600      -0.32322891       0.15491745
Cl      11.31069998       7.85454006       7.68244999      -0.10114888      -0.23390613       1.73842396
Cl      10.00479994       6.65602000       5.28810005      -0.84437056      -0.49875996      -1.40078096
K        7.25897003       0.24142395       6.60781003       0.16572312      -0.32354705      -1.89363903
K        5.70227995       2.74354005       1.78202005      -0.46659482       1.37201652      -0.07421920
K        3.36739001       3.58960999       4.69704001      -0.29514870      -0.67605459       0.26822988
K        7.61065996      10.39960003       2.79469000       0.10554041      -0.03385898      -0.08539617
K       12.34030003       1.57294004       4.69692994      -0.32943138      -0.04465942      -0.49143944
K        7.26701999      10.50749995       9.88161004       0.17050489      -0.28278985       0.28089472
K        8.48102996       2.84060004       9.35260006       0.34841512      -0.16030868       0.11072707
K        8.56773994       3.81703005       3.45568998       1.28080488      -0.11644214       0.33184918
K        0.73414895      11.90330000       9.03789994      -0.31091328      -0.48399533       0.76496425
K        3.13902004       8.01689996       7.19650004      -0.06050107      -0.35959438      -0.15907201
K        3.35391996       3.71837994      10.78440005       0.26509490      -0.13457665      -0.22684937
K       12.28909995       3.73419000       8.62840005      -0.02907497       0.12963171      -0.19123759
K        3.84776005      12.36089086       7.81698997      -0.22447511       0.06581274      -0.35832731
K        5.78780001       6.50195999      10.28380005      -0.87093549       0.21474912       0.24518138
K        4.61902999      11.36180005      11.98749998       0.14319984      -0.58375900       0.06158763
K        0.24339801       5.87729002       0.18688605       0.33197029       0.24341194       0.05952231
Li       3.34721006       7.21972000       1.68052005      -1.36521113      -1.08504411      -0.84422948
Li       9.39806995       5.50875995       7.13111004       0.19137057      -0.37863639      -0.08551854
Li       1.33853001       8.72174001       9.74369997      -0.46033580       0.14554306      -0.11353249
Li      10.83399996      11.47779994      11.55020001      -0.74156852      -0.06290430      -0.95228403
Li      10.20449997       7.57879005      10.17909996       0.02297340      -0.04237945      -0.20327349
Li       3.74968995      11.64760002       3.43614997      -0.95351569      -0.25204725      -1.61723378
Li       9.58768998       6.90259997       2.47807998       0.47077438       0.48111300       0.37130109
Li      10.13010003       1.52164999       0.79032996      -0.60817143      -0.83309744      -3.31737648
Li       8.15406001       7.90213999       6.72942000       0.07921412       0.23492696      -0.36804944
Li       0.27968497      10.23420001       1.16458006      -0.26551457       0.27680984       0.03708274
Li       1.10410001       1.63797997       0.54320696      -1.10223145      -0.05403870       1.23051923
Li       4.47139000       5.99237002       4.17351998       0.54183383       1.21181859      -0.39314371
Li       0.93240902       9.21480999       4.12700995      -0.71722342      -1.17211765       0.70458217
Li      11.12749996       8.63342006       5.51527998      -0.55528517      -0.49360297       0.02935052
Li      10.93679995      10.92989995       6.49041001      -2.00804899       0.83457958       0.83297281
Li       8.92158001       5.12430999      11.69420001      -1.43962382       0.56162557       1.34369038
64
Lattice="12.40919302 0.0 0.0 0.0 12.40919302 0.0 0.0 0.0 12.40919302" Properties=species:S:1:pos:R:3:forces:R:3 energy=-536.2224935 stress="-0.014539672753661992 0.0012637344370866007 -0.0040504233963666635 0.0012637344370866007 -0.011340369990499366 0.0007784419356820015 -0.0040504233963666635 0.0007784419356820015 -0.016969446574763052" free_energy=-536.2224935 pbc="T T T" config_type=melt 
Cl       1.01375004       0.45245196       0.82845597      -1.97053414      -0.19072051       1.16769866
Cl      10.72829995       4.85279995       7.41672996      -0.54850211       0.70450697       0.32681709
Cl       6.59853999       2.68695003       7.41571005      -0.61248870      -0.35371400      -0.20830116
Cl      10.65919998       0.54566597       6.41357005      -0.30093513      -0.42580594      -0.12581012
Cl       6.69358002       8.10293004       7.19525006      -0.60015224      -0.24952092      -1.50403174
Cl       9.80476995       8.27245004       0.19039599      -0.91436708      -1.71257596       0.31685125
Cl       2.66404998       6.49082001       0.41016602       0.21452931      -0.19886292      -0.66707275
Cl       2.15256005       3.41081003       3.06704994      -0.29015655       0.15370630       0.45933158
Cl       6.13502003      10.53890005       9.18358002      -0.18522181       0.01594077       0.90762221
Cl      10.02269995       9.96921000       8.33403997      -2.38046899       1.39575379      -1.26893824
Cl       1.58186995       6.20494000       6.89000004       0.28269558       0.24953930      -0.37629905
Cl       7.08135005      10.17040000      12.25590002      -0.22305948      -0.05132536       0.83660479
Cl       7.60409996      10.81510002       4.17845996       0.50923929       0.36142694       0.91068572
Cl       8.42653995       4.67167996      10.02289999       0.32521909       0.08749336      -0.67139540
Cl       4.43273996      11.77850000       4.80583004      -0.45629764      -0.36088982      -0.14827385
Cl      12.24370005       5.82331003       1.61332005      -1.08943852       1.79834228       0.43896591
Cl      11.84180004       6.70864006      10.40259995      -0.53328068      -0.66947359      -0.40477482
Cl       4.84112997       8.02782005       1.93774997       0.83398992       0.68908446       0.85788509
Cl       1.81444999      10.29019996       7.54559000       0.04808742      -0.32010412      -1.09941373
Cl       0.63781800       9.83938006      10.30679999       0.78672201       0.08068209       2.07573151
Cl       1.59317001       2.57399002       8.82273000      -0.40531746       0.61724132      -0.45911400
Cl      10.46560006       8.51313999       5.09680998      -0.17537348      -0.94216764       0.19846244
Cl       6.63664999       3.79457996       0.41720799      -1.44187274       1.54736317       0.49868963
Cl       9.20225003       0.87728900      10.73949999       0.56096113      -0.72730646       3.14143434
Cl      10.79089998       3.59707996      11.93240006       0.37191736      -0.66880086       0.32112994
Cl       8.54812001       0.96628500       1.96500999       0.25556408       0.00148733      -0.99591904
Cl       9.95973000       4.12760001       3.10095000      -0.23721215       0.10292342       0.54770539
Cl       3.97586003      12.11940002      12.18919999       2.11348086      -1.12929745       0.61973472
Cl       0.56040697       8.96679006       2.78830001      -0.75289222       1.20241156       1.14955231
Cl       4.87411001       5.88417005       9.93091002       0.10520413      -0.03205383       0.11109742
Cl       3.06224994       2.92278997      12.25159999       0.00997352      -0.01977401       0.05649198
Cl       5.76914006       4.45820002       4.87221997       0.00651986      -0.18601747       0.54448905
K        0.07280697      10.72509999       4.83477994       0.07647239       0.74776580       0.82622101
K        3.95208004       8.45162998       8.79765002       0.24866936       0.95291190      -0.62043162
K        8.04395994       6.87119999       2.29996997      -0.10143415       0.04606742      -0.30496458
K       12.09750003       2.90411997       6.20936003       1.36293555      -0.13088670      -0.60935305
K        4.07288006       3.93792004       7.87769003      -0.54256895      -0.11712963      -0.47671028
K        7.85574996       5.17668994       6.54367002       0.45664473       0.47899098       0.40629324
K        3.47148006       7.92004000       4.91729996       0.02363203       0.49042448      -0.06500173
K        2.14942995       6.47946001       9.76088000      -1.64587158      -0.03796984       0.32402046
K       11.23249998      10.43940004       0.41891500       0.99939809       1.06183834      -0.04105693
K        4.68487999       5.31335003       2.66015002      -0.84863789      -0.13229914      -1.66103912
K        4.37380001       1.95966001       3.87301996       0.50736279       0.10717000       0.12659525
K        8.63021005       7.95225005       9.03358006      -0.14267409      -1.65761422       1.89650423
K        2.03174005       0.48258396      10.72860000      -1.29550592       0.06602794      -1.87289611
K        8.77143995       1.61016005       8.49200006       0.53497093       0.74008208      -2.42444495
K        6.20196998      12.11390002       6.97917995      -0.21412964       0.17683318      -0.55957089
K        8.65650005       1.73717000       4.63221997      -0.20108045       0.23170271       0.03333986
Li       4.94291998      10.37500005      11.24819997       0.67223466       0.29327803       0.37634261
Li       7.86927995       2.35081006      12.29490001       1.42637865      -1.49888108      -0.21587220
Li       3.49393996       4.90373001      11.70899996       0.60271715      -0.13501002       0.01633908
Li       0.89123097       4.16197000       1.38460994       1.15535383      -1.49445055      -0.53778759
Li       8.15913003      11.42999998      10.84270005      -0.44557762      -0.58180085      -0.21329452
Li      11.85960004       9.98576995       8.69456003       2.82641139       0.35354497      -0.29339429
Li      11.77549996       7.11639994       6.98400005       0.04547925      -0.29394344       0.16153828
Li      10.52809995       2.15113001       1.21383003      -0.18428265      -0.04601180       0.37977092
Li      11.12090001       3.77038997       9.70095005       0.19120673       0.79400854      -0.06903700
Li       3.02092001       0.90112098       1.25115006      -0.04793749       0.60170945       0.02598671
Li       1.41225005       7.67445996       1.67540002       0.66558257      -1.56446966      -1.57848011
Li      11.37109999       6.70904001       3.51330003       0.02078819       0.17379185      -0.08347361
Li       8.31917003       9.74053004       5.85597004       0.54010506      -0.87213586       0.61250898
Li       6.37488005       4.46650996      10.53239999       0.32425694      -0.31375185       0.66805175
Li       6.89521997      10.53470003       2.28228004      -0.64737355      -0.11254595      -1.51343571
Li      10.54329997       5.78349998      12.21670000       0.32994124       0.90326068      -0.27090520
64
Lattice="12.40919302 0.0 0.0 0.0 12.40919302 0.0 0.0 0.0 12.40919302" Properties=species:S:1:pos:R:3:forces:R:3 energy=-535.95599605 stress="-0.013817828878907082 0.002511721434301434 0.0022556060880450967 0.002511721434301434 -0.017949393691464855 -0.0027140196177802074 0.0022556060880450967 -0.0027140196177802074 -0.007677215164866298" free_energy=-535.95599605 pbc="T T T" config_type=melt 
Cl       3.61837004       3.04516000       2.95061002      -0.58113972       0.70457729       0.21956179
Cl       8.50061998      10.43530004       1.70203002      -0.53094269       0.49273921      -0.29081056
Cl       6.43612996       4.54163001       0.95506498      -0.02769505       0.94920209      -0.65947365
Cl      10.44910005       9.98841000       8.53966005      -0.61520154      -0.92223479       0.27127829
Cl      10.42690001       8.77083004       5.52175001      -1.96414886      -0.25157603      -1.09338221
Cl       7.88355003       2.79549002       4.36196003       0.23718698      -0.98500484      -1.47360226
Cl       0.29577895       5.08124004       3.23799005      -1.05152282       0.23297426       1.48621195
Cl       0.73839302       9.92777000       4.18217998       2.32487257      -0.04592176       0.53945162
Cl      11.19040005       7.95522999       0.67698899       0.06809605      -0.75641314      -0.06304628
Cl       4.90161995       1.36663994       9.82895001      -0.20802596       0.11125337      -0.11892298
Cl       4.10187005       5.06998999       9.48533995      -1.26761687       2.58435182       1.42379164
Cl       0.74890398       1.97440995       4.69738002       0.21895877       1.85591003       0.63241441
Cl      11.88929995      10.59310005      11.10800003       0.92680382      -0.63072200       0.45695145
Cl       5.47426003       2.99601004       6.91397994      -0.97097790      -0.86475019      -0.93698028
Cl       4.36085995      11.29899998       7.14464996       0.35406150      -0.22109390       0.03115090
Cl       7.98556997      11.90039997       7.05081003       0.29322302      -0.00815750      -0.79557498
Cl      10.22050001       2.96014996      11.50959999       0.24633093       1.64131034       0.28680603
Cl       4.60158006      11.89860002       1.03010002      -0.31979689       0.50343216       0.45230162
Cl       1.40909005       5.44537999      12.08910000      -0.19670992      -0.49415376      -0.35493864
Cl       8.25247000       0.30957201      10.72410006      -0.22108470      -1.79308946      -0.27810673
Cl       1.02472994       1.40180002      10.00400004       0.15684957       0.43007436       0.07401577
Cl       2.89468005       7.29021005       2.22574996       0.74639333       0.12174206       0.06295425
Cl       9.06524000       3.71092996       7.77349004       0.00840976      -0.97515752       0.81016698
Cl       7.71183000       8.11036004      11.35579995       0.23599193      -0.09624394      -0.44132937
Cl       1.70413996       8.49569998       7.45862997       0.05300862      -0.45553246       0.73331823
Cl       0.20635098       0.40264506       1.99452004      -0.40586527       0.20094226      -0.23881750
Cl       1.76766994       4.98008005       6.37572003       0.93475719       0.01811932       0.83043290
Cl       4.20894996       8.05454002       5.29570006       2.55365862      -4.24426302      -0.52519473
Cl       4.22052998       8.06909005      10.54189997      -0.20367868       2.51351462      -0.90381323
Cl      11.40830002       5.97351004       8.72213996       2.29941930       0.83637630      -0.98363501
Cl       8.17317997       5.87649000       5.87078996      -0.85224069       0.70505702      -0.58986326
Cl       0.32314904      11.47439995       6.85027996       0.05172395       2.31783286       0.16229535
K        8.96421999       6.43573994       9.01261001      -2.11045198       0.54982691      -0.11308886
K        6.10965998       2.07354004       1.96109005       0.21456558      -0.84044142       0.30428330
K       11.08559995       9.92898002       2.73194998      -1.17821527       0.07334962      -0.79421000
K        8.33794998       7.41974998       1.81052000       0.10995863      -0.33318998      -0.05762397
K        6.44278005      10.61570005      11.87590001      -0.47059197       0.03882541      -0.14036755
K        7.35786000       2.77487996      10.67769997      -0.07171202       1.37630873      -0.19420917
K       12.31430005       6.74105995       5.66809994      -0.44511188       0.91632976      -0.03320338
K       10.57559999       0.30382904      12.19449996       0.44547365      -0.31236144       1.37096652
K       10.61900002       4.00049004       5.08582003      -0.51598554      -0.51288181       0.44923255
K        5.36019001       5.40339001       4.22966004       0.30643639       0.09220585      -0.35150436
K        6.73128001      11.75159998       4.33724998      -0.00715164      -0.01621965       0.06208531
K        5.70305999       8.32298003       8.10484006       0.35988487       0.25545859      -0.49613766
K        3.25477001       2.80309003      12.02039997      -0.18283732      -0.15983869       0.05001822
K        2.39372006      10.86710000       9.61160995      -0.41960293       0.23115820      -0.33049620
K        1.93499997      10.53289995       1.30688000      -0.01812410      -0.37281891       0.08140266
K        2.76923005       2.59449000       7.33474006      -1.30141559      -1.57027445      -0.02005006
Li       7.07373999       3.60805998       6.04022000       2.58015214       1.31300861       0.37494217
Li       0.09602618       0.08053020       4.46310004       0.26803385      -1.44267678      -0.02617070
Li       9.12113001      10.00209995      11.48699999       0.95406521      -0.34695235      -0.23051075
Li      12.34500002       7.89889002       9.96873002      -0.36882767       0.63135802      -0.09804480
Li       4.08344004       6.45848004      11.61029997      -0.42794623      -1.76211042       1.40801686
Li      10.13119998      11.38249995       6.83913005       0.38197792      -0.27541417       0.42126531
Li       1.05265000       6.34171995       1.88815998       0.06209156       1.33562349      -1.84213382
Li       4.73154997       3.56733003       8.63163996       1.25782997      -2.62774311       0.38548508
Li       0.53287296       3.45570004       2.08077001       0.40483189      -1.92059929      -0.60806134
Li      11.25490006       1.81171004      10.10120001       0.34745913      -0.30436676      -1.19252262
Li      11.83099995       4.86336998      10.31749994       0.48952099      -1.18609399       1.81048812
Li      11.98590006       9.64057002       6.44750001       0.96706191      -0.45894056       0.67877310
Li       2.97495003       6.47995005       7.86525999      -0.55531950       0.19724425      -0.18689224
Li       2.32012994       4.75940005       4.32274003       0.12477353      -0.59892095      -0.93353191
Li       6.37227995      12.23499997       8.30800995      -0.89236353       0.53858363       0.43688040
Li       3.43712000       9.63898996       5.62198999      -2.60155840       4.01746857       1.08930827
64
Lattice="12.40919302 0.0 0.0 0.0 12.40919302 0.0 0.0 0.0 12.40919302" Properties=species:S:1:pos:R:3:forces:R:3 energy=-539.80059481 stress="-0.01314800440633168 0.0013710919579535037 -0.0003860159685086325 0.0013710919579535037 -0.009058469061140852 0.00435267504809667 -0.0003860159685086325 0.00435267504809667 -0.012546849029642263" free_energy=-539.80059481 pbc="T T T" config_type=melt 
Cl      12.24994808       1.05343997       0.85637405       0.15584659      -0.28858259      -0.00184171
Cl       8.26765997       8.86948002       4.84558996      -0.19912712       0.11167544      -0.49431106
Cl       7.16237997       5.68249994       3.10453005      -0.25375784      -0.79892198      -0.22812074
Cl       5.15582996       7.35142000       5.56408000      -0.11415663       0.29230245      -0.66756637
Cl       1.04021004       6.17002003       6.14332997       0.10359194       0.18515835      -0.42646130
Cl       4.83509997       2.27284000       2.01721000      -0.20047652      -0.17990074       0.27330069
Cl       0.66056095      10.15070004       4.37393006       0.44466119       0.13293310       0.15385556
Cl       4.61212998       2.74856006      10.61900002       0.69437608       0.58693927      -0.67296317
Cl      10.71040006      10.13799997       1.96822000       2.40771763      -1.05700359       0.30745392
Cl       2.58017997       0.45163097      10.89250000      -0.42680682      -0.36642181      -0.23315288
Cl       7.21838998       0.12970697       5.15032996      -0.30955792       4.55132287      -1.59487034
Cl       4.15554005       6.40293996       0.62236806      -1.59592307      -0.62046714      -1.23499579
Cl       9.95359998       4.63484005       3.42692994       0.99661663       0.37663121      -0.00387650
Cl       6.67530996       7.25907997       9.77150997       0.14720509       0.29157848       0.28651390
Cl       9.52407996       5.59072006      12.05450006      -0.12395726       1.17084160      -1.99047032
Cl       5.08630001       0.39832405       7.80222005      -0.78727067      -0.48367117       0.45340038
Cl       7.03349003      11.70600004      11.08940002      -0.89474306       0.54096080      -0.16021714
Cl       8.23605996      10.82630006       7.64111001       0.15021210      -0.93679237       1.55570507
Cl      10.19019999      11.39790000      10.96060004       1.11970223      -0.07707430       0.46511103
Cl       9.97669994       1.78240002       8.48353004       0.36487996       1.21552458      -1.17097174
Cl      12.17129998      10.12120003       8.13612997      -0.70746884      -0.10598704       0.21978114
Cl       2.67002005       9.76197995       0.88168098      -0.13270544       0.05759206      -0.13560581
Cl       3.11509002       8.14389998       9.33726999      -0.02942562       0.34755260       0.82228196
Cl       0.92971300       3.28662999       8.68177000       0.05751602       0.03719365       0.68331027
Cl       0.41044597       5.46874998       0.59283803       0.69790265       0.69222940       0.82279499
Cl       1.51855998       2.26973000       4.90038995       1.05039143      -0.54921431       0.65676942
Cl      10.90630002       0.43455902       5.63413995      -1.55603603       2.51995151       2.12236113
Cl       9.31161001       5.41116996       7.20877000      -0.31303342       0.35668679      -0.03999054
Cl       8.39489006      12.38448446       2.12301996       2.26097819      -2.20799796       2.50065485
Cl       7.32161995       8.57996995       0.72304695       1.04494295       0.18730947      -0.11420633
Cl       8.77396001       2.23230003      12.26480002      -0.22588827       0.49633618      -0.70533187
Cl       6.01871995       4.02770005       6.61138003       0.51383174       0.12042401      -0.02733813
K       12.19350003       2.99290998       3.02647995      -0.35511940       0.33195166      -0.90099926
K       11.63130005       3.65737995       6.59054996      -0.12276201       0.41256730      -0.50000777
K        4.50570006       6.08560004       7.90184999      -0.56469164      -0.09554438       0.82674330
K        5.97182996       4.30839997       0.27352095       0.94449273      -0.08864358       0.15657341
K        9.37131002       9.05374996       9.79366000      -0.40211176      -0.58269156      -0.91236328
K        1.58075002       7.49543005       2.89731005      -0.05917787       0.07160797       0.11049022
K        4.28649998       4.55408002       4.31917003      -0.03885278      -0.07482007      -0.21442649
K        8.04543006       4.12980004       9.77868000      -0.11067986       0.14654688      -0.33486200
K        5.48666004       7.63115995       2.38937994       0.03069747       1.52824534       2.23456159
K       10.79050003       7.60641999       5.54373997       0.29102118      -0.00168937       0.10822536
K       11.69350001       8.33972003      12.08780001       0.24820528      -0.25778954       0.11792847
K        0.74843094       0.32639205       7.32866005       0.44993679       0.15005895       0.41661981
K        2.56321995       3.37646994       0.11513895      -0.11655251      -0.12608637       0.31760236
K       11.38739996       3.71733000      11.52579994       0.06982778      -1.44349240      -0.80429006
K        8.74485995       2.51728000       4.79280001      -0.46454648       0.25413675      -0.14824746
K        3.30603003      11.90020006       3.81358005      -0.08932357       0.22140874      -0.18303303
Li       2.67060998       2.40503004       9.40933997       0.75936854      -0.57444809       0.31965868
Li       7.12033998      10.88850002       5.84934998      -0.23419038      -4.46881991       1.29170960
Li       4.90087999       0.39177597      10.08010004       0.18162087      -0.04639578       0.23808522
Li       6.83457997       9.56771999      11.34839998      -0.14958450      -0.04446208      -0.71017568
Li       8.96023006       5.62912006       1.50822002      -0.67084133      -0.14119247       2.51412161
Li       4.13947002       8.42036998      11.72840000      -0.69880117      -0.37213183      -0.29379910
Li       1.09610005      11.78480003      12.30141496       0.41377720       0.08932024      -0.04339447
Li       7.34475006       6.63289000       6.13951997       0.16107742       0.05960753      -0.40001428
Li       7.32813999       0.89031803       0.94720599      -2.15089600       1.65886808      -2.51437053
Li       5.76779999       1.95822997       6.61331003       0.25976519      -0.58647450      -0.36132165
Li      10.42980004      11.75714999       0.75660401      -0.65210426       1.59703821      -0.51441928
Li       8.82720996       9.60292004       2.21836004      -2.16291526      -0.14575063       0.70964569
Li       1.49870999       8.98654996       8.16465994       0.46207177      -0.57345225      -0.24642913
Li       9.13433005       0.12528805       6.95988006       0.15798274       0.54281316      -0.22192996
Li       9.13795998       0.61077601       9.82292001      -1.07617321      -1.27297060       1.76829851
Li      11.53880006      11.82429998       4.26755002       1.34944114      -2.76642423      -3.24718299
64
Lattice="12.40919302 0.0 0.0 0.0 12.40919302 0.0 0.0 0.0 12.40919302" Properties=species:S:1:pos:R:3:forces:R:3 energy=-538.22258529 stress="-0.017309460461451768 -0.0008241237594271604 -0.0020549126464946606 -0.0008241237594271604 -0.01482571171094697 0.0021250709227675184 -0.0020549126464946606 0.0021250709227675184 -0.018587066721227244" free_energy=-538.22258529 pbc="T T T" config_type=melt 
Cl       4.67543995       9.47795996       1.87987002       0.39201582       0.93447494      -0.57596532
Cl      10.60099999       8.12112006       6.09592995      -2.38626991       2.15391965      -1.97406806
Cl       6.64054002      12.34999360       5.58864996       0.09294111       0.13161721       0.67662259
Cl       5.53369001       7.36368997       9.97703003      -0.28165556      -0.26348220      -0.14179706
Cl       2.87994996       8.11190002       5.28660002      -1.00377536       0.14712440      -0.27341407
Cl      10.17800001       5.06817999       4.86217001      -0.86932750       0.18096334       0.73980417
Cl      10.09559999       0.27630495      11.12969999      -0.39446857      -0.73343431       0.34934289
Cl       3.78454005      11.60069997       6.96950004      -1.17276930      -0.79100267      -0.42894717
Cl       1.17413997      10.96149996       2.77489001      -0.04909658      -0.23309879       0.18228185
Cl       6.05813999       1.18633002      12.23369998       0.47428969       2.25501792       2.92861221
Cl       1.94049004       8.92481000      10.62260005      -0.55545900      -0.24530437       0.18700140
Cl       6.39916000       5.03408995       4.07411999       0.53852844      -0.17347727       1.47240189
Cl       3.40908999       3.53178005      10.55650001       0.55022914       0.75524278       0.59404476
Cl       6.20488006       5.65051003       1.24396998      -2.78107763       2.09498588      -1.66935264
Cl       0.00747815       7.29928998       8.25583004       0.13860903      -0.52600874      -0.04375903
Cl       3.70110002       1.09668005       3.02524002      -0.52846974      -0.50245380       0.25008590
Cl       5.74461006       8.13940996       5.43417002       3.39331707       0.07558299      -1.32723443
Cl       9.59665004       9.73978003       8.92448997       0.81439628       0.41327590      -0.55919843
Cl       0.20578500       2.22070997      10.53439998      -0.95280293      -0.74425365      -4.05904806
Cl       9.33373994       3.76138003      11.51390002      -1.27251130       1.08887201       0.19007904
Cl       8.22421005       6.10234997       8.34580996       0.36615134      -0.31027395      -0.70739957
Cl       8.89373999       2.31486001       2.41631000      -0.23406585       0.30397152       0.11472756
Cl       6.54230004       0.13646303       9.58082001       0.74763985      -1.11764807      -0.32110172
Cl       2.65625006      12.40250000      11.54140003      -0.05475639      -0.52405070      -0.29348963
Cl       1.82799996       5.67810001       1.65246001      -0.02423675       0.14941048      -0.06945887
Cl       1.50989005       3.73716994       6.56739999       0.01733286       0.60773398       0.22528572
Cl      10.17390001       1.56963994       8.07987004      -0.68741744       1.51640511      -1.69295565
Cl       0.59278703       1.72051004       1.08440004       0.75241476       0.97304908       0.57895341
Cl      10.22690005       7.47565005       0.70719706      -0.00330857      -0.25348350      -0.18245715
Cl       8.65102002      10.82719997       1.55188003      -0.17760869      -0.45658158       0.10110596
Cl       0.17729399      11.17879994       8.19000001      -0.62418423       0.01845319      -0.20259903
Cl       4.72307996       2.46885995       7.63682003       0.63949944       0.31204661      -0.35704416
K       10.98660003       0.10575201       1.75775003      -0.73430590      -0.00597871       0.56824814
K        3.55512001       7.50577994      12.21070004       0.84794913      -0.59970292       0.50072482
K       11.14069999       4.48300004       7.61309998       0.11762845      -0.24700608       0.46078520
K       10.97220003       4.33951999       2.37341998       0.65662689      -0.14880919      -1.26743776
K        6.46367999       0.83791798       3.02990997       0.76842150      -0.34612531      -0.97892958
K        7.38792996       7.63369006       2.49527999       0.67706209       1.49166058       0.06078558
K        0.11741603       6.82782999       5.18180005       2.38484946      -1.20046556      -1.09589473
K        6.27010005       4.09970998       9.82229000       0.16092291       0.13638600       0.37290244
K        8.86005002      10.89950003       6.35659994       0.14331096      -0.08468649      -0.16634339
K        4.94158996       5.94941995       6.60552997      -0.71579670      -1.00386452       0.78703251
K        1.15748994       0.94143795       6.94699001       0.51172336       0.60083155      -0.44797671
K        8.13412005       8.47021001      10.74030001      -0.80417124      -0.61512665       1.08249262
K        4.09543005       3.67966003       2.21252003      -0.34904458       0.75659789      -0.27310101
K        0.15094704       6.70473998      10.90210000      -0.23156086      -0.65435966       1.13479899
K        7.97936004       3.02898995       6.19627999      -0.19871355      -0.29742968      -0.23292484
K       11.41990001      10.06929995      12.32320004      -0.01022032      -0.06213461       0.04528575
Li      10.81489998       2.39412000      11.25530001      -0.96890544      -0.60083220       0.60620693
Li       5.37194996       0.02701556       8.06591999      -0.85882149       0.64236125      -2.08702798
Li       2.96747994       3.47956999       8.48290995      -0.45683986      -0.08341032      -0.64346568
Li       1.49860997      10.67180002       9.71047994       0.94184500       1.01468809       0.45135731
Li      11.85769001       9.30916999       7.46146994      -0.02233241      -0.31972237       0.30724193
Li       4.10134005       8.04716995       3.16562001      -0.76149425      -0.91896550       1.46101457
Li       4.83617995       0.03130703      11.24840000      -1.09501067      -1.03360792      -1.03764059
Li       2.48448995      12.27001499       1.49488994      -0.48379407       0.55562844      -0.81425680
Li       7.29320004       4.17474998       1.08148996       2.87617708      -3.24395621      -0.38494185
Li       4.57943995       9.62654999       6.08774001      -1.15645247       1.03539086       0.62673642
Li       9.82030999       7.62088997       7.86315006      -0.48630075      -0.30417741       1.60600551
Li       8.17905994       6.57245004       5.13602005      -0.03214188      -0.53182266       0.47248490
Li       3.19278001      11.52510006       3.75402001      -0.12412819      -0.58248362       0.43478524
Li       7.71328001       0.78856302      11.04879999       1.99831622       0.24113577       0.91688273
Li       1.63097002       2.87420004      11.47690003       2.26951873       0.50960092       2.62326978
Li      10.73179996      12.31119998       8.96790999       0.27157936      -1.33720712       1.19984027
64
Lattice="12.40919302 0.0 0.0 0.0 12.40919302 0.0 0.0 0.0 12.40919302" Properties=species:S:1:pos:R:3:forces:R:3 energy=-533.33655019 stress="-0.012107835839168425 -0.003594944655430089 -0.003068835012425117 -0.003594944655430089 -0.02054031967684546 -0.0009920517559458323 -0.003068835012425117 -0.0009920517559458323 -0.02176475442051339" free_energy=-533.33655019 pbc="T T T" config_type=melt 
Cl       3.69447996       6.09098005       4.65290001      -0.63846010       1.20951271       0.22787623
Cl       4.59653001      11.63660001       0.39812402      -0.62454027       2.00924012      -1.50091139
Cl       7.03752996       7.73743997       4.42931998       2.92759566       4.31428974      -2.06114589
Cl       3.25504003       0.96654398       4.64246003       2.06504778       0.18148925       1.15446747
Cl       0.50281901       7.91660005       6.57276002      -0.51849266       4.86120694      -0.16157925
Cl       8.93391004       0.15183702       1.65495997      -0.25946923      -0.50825463       0.04225919
Cl       6.20070002       4.54277997       5.35945998       1.60493065      -2.11834811       1.91537953
Cl       6.69959996       5.21509999       2.32642004       0.08014636       0.35820467      -0.70864999
Cl       6.63393002       0.19963600       5.45981002       2.45222229       2.92142710      -1.32532129
Cl       6.23199998       3.55366999      11.60170003      -0.23725820      -0.00401862      -0.76280142
Cl       0.73305099       9.31022998       9.55051006       0.58606619       0.46687189       0.18364114
Cl      10.44229994       4.35807000       3.17380995       0.53554324      -0.86723187      -0.12330698
Cl      10.33149999       0.27245401       6.31482005       0.20669801      -0.77056140      -0.46243426
Cl       2.50407997       4.92484996      10.05470004       0.12485867       0.79917134       1.74577026
Cl      11.54700006       6.39063997       0.24068002      -0.25890632      -0.25664322      -1.53466066
Cl       6.51154001       9.16190005       1.04296996       0.58683287       0.38106487      -0.20788840
Cl       6.48745004       6.71783999       8.07234001      -0.80528028      -1.20876411      -1.27706909
Cl       4.58194003       2.62759004       8.21297005       0.07327705      -0.80451585       4.28767645
Cl      10.88170003       5.50964001       7.18128004       0.36074476      -1.01995932       1.29793232
Cl       9.71552006       8.82426005       7.37005998       0.32084307       0.74177819       0.49312016
Cl       7.99935001       0.57876402      10.33829998       0.12638183      -1.13812971       0.12530499
Cl      10.76990003       8.63262004       2.91074995       0.18980122      -0.18950563       0.04686432
Cl       0.82574803      11.54659998       4.86647004      -1.17543960      -0.98343558       1.50504588
Cl       4.70595006       8.21412001      10.50230000      -0.74496298       0.05577796       0.34218059
Cl       1.43121999       1.70944005       0.52907401      -0.61987264       1.28837516      -1.96301340
Cl       3.07066995       3.79201001       2.81286996      -0.92166079      -0.80648260      -0.94545840
Cl       2.14317001       8.92587000       0.89764305       0.01001217      -0.19539126      -0.12958738
Cl       9.75469998       9.74029005      11.58349996       1.23276554      -1.13590669      -0.67037923
Cl       1.25546002       0.84557904       9.06293996      -0.63756759      -1.77152591      -0.43361442
Cl       3.60110004       9.23137006       5.90725996       1.11228679       3.24647223      -0.37476790
Cl      10.29289996       2.49015003      10.36899995       0.72831961       1.34969696       1.55691160
Cl       1.90534001       4.06323005       7.41344996      -0.91844705       0.23456272      -1.39992271
K        0.89971501       2.33452994       5.26173994      -0.21259842       0.52126169       0.56504946
K        8.59813998      10.12740004       3.94547996      -0.17662844       0.70324832       0.35929077
K        9.68227000       2.84796998       0.76539406      -0.42042429       0.42687946      -0.33520051
K        5.60786001       0.76497699       2.21792994       0.52609796       1.20136211       1.14632807
K        7.88802999       7.88492000       9.85180005       0.39404465       0.88464722       0.97426860
K        8.39549004       3.76148998       8.96334998      -1.18958331       0.40297246      -0.65077392
K        0.96573999      11.47789996      12.03069998       0.03816321      -0.18070711      -0.62220627
K        0.58797896       5.42196000       2.25598000       0.52778753      -0.39094157       0.87810346
K       11.88869997       4.65592997      10.02209997       0.80369676       0.70359641      -0.33460571
K        1.57456999       0.48234695       2.69898000       0.16555041      -0.67224862      -0.05861689
K        9.93981002       1.45624995       3.95635004      -0.39406394       0.67772954      -0.19228882
K       10.61360004       0.45884902       8.92291996       0.39864167      -1.63308644       0.18731842
K        3.55150000       7.28686006       7.47938000       0.00629596      -1.92510748       1.46848468
K        1.57822996       8.86514003       4.15351996      -0.19907870      -0.50033067      -1.17007906
K        3.50486997       6.08224001       0.78921698       0.83458170      -0.35183995       0.01553527
K        9.55391005       6.21170003       5.00502998      -0.80048246       0.75899423      -0.32501242
Li       2.17928994       2.58255000       9.50253996       0.98337023       1.41525142      -0.17231098
Li       6.11353003       6.60711996       5.39502994      -3.45123328      -2.86576012       3.17001758
Li      10.32299994       7.99907999       0.80865797      -0.10231055       0.61473340       0.15986530
Li       5.98033000       0.89513801      10.36849999      -1.00516476       0.77395255       0.19190414
Li       2.39846000       8.34039000      10.67400005       0.33872978      -0.09385482       0.33758539
Li       7.26975002       7.69495995       2.35189003      -0.31180349      -1.50442159      -0.40180097
Li       5.63288997      11.17619997       5.92686003      -2.64648425      -3.34663872       0.95399421
Li      11.53870004      10.46630006       6.38617006      -0.38724566      -0.23647262      -0.08662210
Li      11.07679997       8.89249001       9.70625002      -0.72907902      -0.05827638      -0.43786795
Li       2.20053002      11.14790006       6.87526996       0.15215385       0.02985511      -0.35997059
Li       8.42192001      11.02930006       0.02740694      -1.18465434       0.97528173       0.31431669
Li       4.28878997       9.75213003       0.57035505      -0.02732557      -2.40687996      -0.07543015
Li       4.87308005       2.81768001       6.40829006       0.52962196       0.40930879      -3.54995535
Li       4.88229003       4.09092998       3.90150997      -0.41133255       0.73743355      -1.17895762
Li       4.70230995       4.78041006       9.89695996       0.65381075      -0.45928051      -0.00423215
Li       0.76962696       6.15465000       6.59953000       0.33293060      -5.25112876       0.35195134
64
Lattice="12.40919302 0.0 0.0 0.0 12.40919302 0.0 0.0 0.0 12.40919302" Properties=species:S:1:pos:R:3:forces:R:3 energy=-535.60101835 stress="-0.00983775444940009 0.002348681950009391 -0.0008040777298053056 0.002348681950009391 -0.006746910184348135 0.0007374339224910502 -0.0008040777298053056 0.0007374339224910502 -0.009873272424922405" free_energy=-535.60101835 pbc="T T T" config_type=melt 
Cl      11.46400005       6.07911996       8.98130000      -0.60757261      -0.21061096      -0.12342191
Cl       1.68471994       5.49746001      11.60730005      -0.62635623      -0.17138834       0.37740041
Cl       7.09498006       7.02039994       5.26410998       0.18095332       1.10543938       0.09507944
Cl      11.95649995       1.65124999       0.69246896      -0.01433791      -0.22820077       0.20113132
Cl       2.17617995      12.17310006       3.29662001       0.12196804       0.49840373      -0.61531096
Cl       6.57494999       9.61317996       1.67535001      -0.11997546      -0.19682882       0.30770868
Cl       3.51774997      10.11920004      10.36870002       0.96851116      -0.11204160       0.29735560
Cl      12.39584284       2.54215994       5.33041999       0.50769657      -0.44344322       0.19566966
Cl       3.54852005       9.09829003       4.03481995      -0.11479861      -0.48950922       0.31989989
Cl       9.98668997       8.58556004      12.35550005      -0.30544624      -0.61398099      -0.55449021
Cl       2.79279995       6.99608003       6.89202001       1.04826776      -1.02839419       1.66857850
Cl       6.06674005      12.27840000       8.36324004      -0.12781677      -0.08532911      -0.01275006
Cl       9.46413996       4.11070998       6.64525998      -2.69219925       1.76345805      -5.29403808
Cl       3.00614004       1.66846998      12.37499999      -1.65870514       0.20343678      -1.99226776
Cl       5.82729003       0.31194999       0.31300105       0.55688743       0.26020574       0.40057726
Cl       0.44151896      10.81069997      11.12069997      -0.54701999       1.99499223       0.13952010
Cl       8.10380998       8.21027998       8.35977006      -0.02578398      -0.48418904      -0.23126064
Cl       3.98192006       3.80572006       8.86791001       2.55784689      -0.82431745      -1.31237217
Cl       0.02892012       4.62065001       2.27938994      -0.58264742       0.52990403       0.22539698
Cl      10.32890002       2.61201005      10.14230000       0.05737342       1.94619104      -0.75181238
Cl       9.32240998       0.16496198       3.07450005      -0.48464509       0.19834138      -0.13336428
Cl      12.08740006       8.02101001       5.44435003      -0.37440718      -1.54013236       0.93273805
Cl       0.06180696       9.41898998       2.39799999      -0.05230736       0.22789201       0.07887343
Cl      10.69030002      11.57230004       6.19076994       0.21703488      -0.06943568       0.26438866
Cl       2.02476000      11.02389995       7.16442997      -0.08789558      -0.42777418      -1.41665149
Cl       5.49375996       3.84993997       4.50548997       0.40413774      -1.13420853       0.56891330
Cl       8.37822005       4.35012005       1.63575004      -1.30342782       0.32894308       0.17849950
Cl       6.57513998       3.28625995      10.52870006       1.19626889      -0.05087598      -1.24044626
Cl       3.38995998       4.41606994       2.21279005      -0.66580492      -0.37171038       0.56515676
Cl       4.39969006       6.97647003      11.00450004       1.24958544       0.28426086       0.42813056
Cl       0.61024800       1.65314996       8.71938996       2.97802149       0.17098572       2.21908508
Cl       5.64187001      11.80820004       4.34925997       0.24627024       1.35575191       0.70564752
K        5.01978997       3.95562001       0.13242396      -0.10945092       0.72301627       0.07521211
K        8.51662002       1.55031002      11.54970005      -1.50061572      -1.30503609       1.93406687
K        4.84421999       9.25983997       7.14951995      -0.14078810       0.70324436       0.15736447
K        7.71719003      10.03849996       4.93953996       0.68124977       0.04745326      -0.01368951
K        8.73930994      10.39150005      10.03369996       0.08399232      -0.04109219       0.33755754
K        1.57494996       4.04178002       9.18833001      -2.41348772       1.84116293       0.39576697
K        8.31061997       5.69877001      10.74549996      -0.34505940       0.78918438      -0.30181793
K        3.54834000       1.02193998       6.46743997      -0.08647358      -0.16430771      -0.28284791
K        9.38338999       7.44055995       2.59367000       0.11925973       0.17843815      -0.14509320
K       10.45419998       4.73569998       0.04910702       2.03144100       0.11400463      -0.34908247
K        0.63948505       8.25477004      10.64250006       0.14671366      -1.41729503      -0.25986210
K        9.99186001       3.18852006       3.62524994       0.68054510      -0.52607585       0.28650468
K        6.57848996       2.43045995       7.08713000       0.22449309       0.08034239       0.26477394
K        5.64154998       6.32705005       7.99514999      -0.25765390      -0.33134978       0.47394047
K        2.52071996       7.32965999       1.68650997      -0.26061223      -0.25925250      -0.00818928
K        2.99077994       4.81272000       5.25314000      -0.84428457      -0.36399352      -0.59420653
Li       1.15575997       3.71324005       0.51723204       0.17047871      -0.16063617       0.35882354
Li       0.07410696       0.58902195       3.05378005      -0.48504076       0.66566686       0.13667433
Li       7.15518003       5.04016996       4.83786003       0.55973797      -0.48973192      -0.32673364
Li       5.34968998       8.98789003      12.36970002      -0.36994802      -0.20973740      -0.78961494
Li       4.47405996      10.85550001       2.89523002      -0.43848996      -0.56900535      -0.50298062
Li       0.94238502      11.16150004       1.23018001      -0.08908964      -0.04669572      -0.53809390
Li       3.33673000       1.92814997       1.83363001       0.20104048       0.31171355       2.65131733
Li      11.48549997       1.02227999       9.77459998       0.10131234      -1.87203812       1.37324549
Li       2.25288006      11.29050005       9.15560995      -0.56005863       0.06392217       1.41110387
Li      10.36759995       7.07742006       7.09799996       0.23325461       0.01499889       0.28583757
Li       4.22037002       1.25076004      10.74720002       1.19673318      -0.41790920      -0.55310834
Li      10.02619997       3.60114000       8.20898000       2.31257503      -1.09410864       4.83474118
Li      11.87790000       9.87903997       4.69302998      -0.12109835       1.58517220      -0.50346530
Li       1.98145006       8.49897998       5.94727005      -0.99798971       1.75780711      -1.30090304
Li      12.21919996       1.09074002       7.18912004      -1.86413090      -1.61806018      -4.66148383
Li       6.98289005       0.38157797       2.63524006       0.24176942      -0.37563688      -0.33732236
64
Lattice="12.40919302 0.0 0.0 0.0 12.40919302 0.0 0.0 0.0 12.40919302" Properties=species:S:1:pos:R:3:forces:R:3 energy=-532.87774892 stress="-0.016306545958057212 -0.0007750348331633825 -0.0027331083933889344 -0.0007750348331633825 -0.02368235899051761 0.0020656677216694536 -0.0027331083933889344 0.0020656677216694536 -0.023283326835323147" free_energy=-532.87774892 pbc="T T T" config_type=melt 
Cl      10.49799997      10.64390006       9.19458003       0.33004517       0.30027510      -0.33094252
Cl       2.23795006      12.37021885       8.49491994      -0.63908409      -0.08808291       0.08239428
Cl       8.44667002       5.56645004       1.32069006       0.61376112      -0.12822811      -0.03562504
Cl       9.60053995       6.80659997       4.10686003       0.04740271      -0.06856968       1.48179760
Cl       1.82917002       6.63707004       6.92584996       0.94928672       0.63164807       0.87280807
Cl       4.59581996       4.66082006       6.90739997      -0.10877419       2.54089191      -0.25833581
Cl       0.90270302       8.51600006       3.95644001       0.35156696      -0.54476216       0.06636274
Cl       7.05264994       0.20252895       1.52190997      -1.92217757       1.35749104      -2.05036378
Cl       9.99415000       1.36176995       3.90237998       0.16091230      -0.62973953      -0.31323130
Cl       3.26143995       0.26980700       3.50268000       0.67709295       1.20906932       0.87885877
Cl       8.20224999       9.24212002       2.36834003      -0.18101885       0.57288831      -0.44987637
Cl       2.91728997       1.57462000      11.52920006      -0.17576455       1.79430911      -0.87125094
Cl       8.17649000       0.76877904      10.12419996      -0.17837503       0.29650239      -0.33691019
Cl      11.03089998       3.23738994       9.90474003      -0.01922286       1.00502116       0.23812820
Cl      11.49439997       8.23882001       0.38640999      -0.44625030      -1.11405971       0.54496711
Cl       0.89389696       5.32273001       3.42963999       0.36581541      -0.92147510      -0.10326525
Cl      12.19999996      11.88980004       0.98210895      -0.80983975       1.11777937      -0.19377778
Cl       4.32580001       9.64516999      12.33169997      -0.10849733       0.57214871      -0.21710817
Cl       1.20946001       4.39951000      12.35690006       0.08814756       0.96290777      -0.09483499
Cl       6.25162996       4.85400004      11.72749996      -0.92725673       0.91207483      -1.56138743
Cl       4.26690003       1.02497999       6.27975006      -0.26821175      -0.33072365       1.75351794
Cl       0.03073807      11.23420004       5.97838002      -0.40892251      -0.46363203      -0.40557829
Cl       6.80797999      11.23029995       4.66202003      -1.77639027       1.59796741      -0.75544424
Cl       1.11520996      10.36839997      10.68020005      -0.00056782      -0.18438674      -0.03667697
Cl       8.61197003       9.97744996       6.08774001       1.07671476      -1.64676676       2.10332096
Cl       9.79998001       0.75215395       7.27552997       0.49439686      -1.11662336      -2.01678214
Cl       5.22495996       7.23133997       3.16845005       0.35303788       0.68799501       1.28050038
Cl      10.52180006       7.22433994       8.52550997      -0.07783760      -0.20922318      -1.46813252
Cl       0.42319195       3.36957999       6.64583999       0.00881376      -1.42530342      -0.32243110
Cl       8.18825999       4.45357003       6.88860004       1.08201180      -0.34887954       0.79838546
Cl       5.40052994       2.74706997       4.17305997       0.37814037       3.27250725      -1.63675993
Cl       7.93194997       9.21506996      10.36639998       0.11343605      -1.90688591      -0.83640268
K       10.09339997       4.09140004       3.49070004      -0.15113472       0.55016622      -0.44671501
K        1.21064000      11.18859998       3.27986996      -1.32902031      -1.05496021       0.22325464
K        0.19160700       8.72189004       8.19905996       0.83421630       1.07212445       0.47508900
K        4.11612995       5.27420994       1.85978003      -0.55609489      -0.87872508      -0.69600538
K        4.66475998       0.34552902       9.77823997       0.52994832      -0.15447173      -0.37239375
K        2.70745002       9.87517004       6.88150000       0.54268442       0.00114333      -0.27891176
K        1.06331000       2.43846004       1.78580002      -0.02504982      -0.35985111       0.60327535
K       12.40629994       1.01847000      10.72610005       0.86125733      -0.68915035      -0.20545511
K       11.82419996       5.89596995       5.99478001      -1.48762123       0.26826872      -0.29878376
K        6.39647006       7.74186000      12.20342403       0.10480517      -0.40037882       1.10694809
K        6.08299002       4.51520996       8.88806998       1.27234973      -0.32798250       1.61009015
K        6.39261005       2.95254995       1.03640997       0.46434444      -0.99134668       1.13971876
K        1.44756997       4.33265001       9.46095998       0.09708430       0.00447745      -0.27270388
K        7.07191000      11.11330000      11.71249997      -1.20268443       0.84680358       1.29059442
K        3.03414002      12.25139996       0.94614302       0.54727528      -2.24152624      -0.37440189
K        9.45298000       5.92433005      10.40180006      -0.78140458      -1.21523486       2.03988208
Li      10.37989994      10.82439996       6.69102000       0.59239357       0.54140747       0.48400981
Li       8.16335996      12.24990006       2.96487997       1.93164371      -1.17065027       2.83333553
Li      11.26959999       1.52431003       5.72178000       0.00409682       0.22685188       0.17595943
Li       3.74457997       3.29409995       5.93503000      -0.97746209      -2.58373802      -1.59544588
Li       7.23227003       8.64755004       4.83858001       0.19798328       0.31858143      -1.26851815
Li       9.10961999       8.89679005       8.71063006       0.42601660       0.21135612      -0.96778709
Li      10.42739997      11.24669994      11.36230001      -0.09478777      -0.36435145      -0.00466095
Li       1.37184001       0.25326704       6.57368004       1.11378370       1.41741601       0.27741385
Li       5.73717001       0.87620704       4.66906001       0.05143809      -2.12345076       0.16365940
Li       0.76277299       7.00245997       1.98900006      -0.52832194       0.48328303      -0.27345214
Li       0.13480702       9.99076006       0.13800698       0.81731661      -0.30060404      -0.34213316
Li       9.70691999       7.68308001       2.15159002      -0.13933194      -0.10573704      -0.64945518
Li       8.02960995      11.93799995       7.45700995      -0.42793596      -0.35780797      -0.13554254
Li       6.98780000       5.04737994       5.36060994      -1.04340163       0.05254343      -0.96964913
Li       2.20536997       6.66908005       4.78087999       0.13967403       0.31957826      -0.46451007
Li       9.81151001       2.11842000       8.63443997      -0.82645154       1.30183075       1.38737029
64
Lattice="12.40919302 0.0 0.0 0.0 12.40919302 0.0 0.0 0.0 12.40919302" Properties=species:S:1:pos:R:3:forces:R:3 energy=-534.82812131 stress="-0.01757252285702558 0.002491725243129949 0.00603623201989492 0.002491725243129949 -0.016184431212741362 -0.00010427816623399328 0.00603623201989492 -0.00010427816623399328 -0.012293266319268465" free_energy=-534.82812131 pbc="T T T" config_type=melt 
Cl       1.33527000      12.29220002       1.68647994      -0.70379702      -0.53054355      -0.32682207
Cl       2.08921000       9.12808996       9.43472000      -2.63641082       0.42244808       1.37702507
Cl       4.25212999       6.51864005       9.13122998       0.06263503      -0.37066142      -0.07960592
Cl      10.54679999       3.52488997      12.04210005       0.13313699       2.26462328      -0.83680404
Cl       0.73756496       4.95408999       2.78693996      -0.11236704       0.35816256      -0.95121104
Cl       5.44110006       7.53947996       5.16949000       2.28758205      -0.47138456       0.53950487
Cl       5.47320997      10.91510000       3.22397995      -1.23882342       0.14142835       0.31646392
Cl       9.68876001       2.16855004       2.46571000      -0.09246768      -0.76295023       0.84726466
Cl       9.44544005       4.55794996       5.29406999       0.55650258       1.54980189      -0.42402824
Cl       8.30272003      12.37152008       5.46104002       0.27251677       0.67075236      -0.56630944
Cl       2.85336997       8.25358000       5.36282995      -3.36501503       1.13802126      -0.07172632
Cl       8.30040001       6.76956994      11.18530000      -0.10269278       0.05286616       0.63218833
Cl       2.81132998       4.17826004       5.99032995       0.83078044      -0.04334942       0.57540624
Cl       2.88802996       1.95277005       3.69312004      -1.61652951      -1.86705862       1.10084913
Cl       5.50649006       1.76902006       0.95344694      -0.24788130      -0.95107497      -0.39825426
Cl       2.19433001       7.98722995       0.20737697      -0.37133836      -1.95769205       3.65346290
Cl      11.14939996       1.69535003       6.67814000       0.81080909       1.78263449      -0.66508382
Cl       6.98967006       1.37011997       8.93868001       0.93114767       0.02585521       0.62841959
Cl      11.00430001       7.80152005       8.91920998       0.20654757       0.74459639      -0.60933127
Cl      12.10100004      11.64560003       8.10859000      -0.06796024      -1.59916063      -0.87468708
Cl       0.61829896       4.97757997       8.87612998       1.52752860      -0.08559215      -0.15527281
Cl       4.41457004      12.00150003       8.73788003      -1.19787473       0.08497230      -0.06143505
Cl       5.99271996       9.70691999      11.24910000      -0.52320439       1.15931726      -0.61797155
Cl       5.20064006       5.74364003       1.06506999      -0.02569365       0.28873998      -0.04551374
Cl      10.37430004       0.26879603      10.72540004      -1.06040813      -1.53932771       0.97820794
Cl       2.92493999       2.20765997      10.66420001       1.07181883      -2.24444955      -0.68550650
Cl      11.58769997       9.21410006       1.24822000      -0.52589587       0.19404297       0.34249230
Cl       7.72658999       8.81169996       1.78937995       1.94841638      -0.50568495       2.90975847
Cl       9.64438995       4.45890995       8.62487001       0.43099842      -0.54072631       0.46878285
Cl      10.60310000       9.88984999       5.37394995       0.28512074      -0.79979964      -0.10168148
Cl       7.39332002      10.04570002       7.32906000       0.18690453      -1.00411896       0.08622555
Cl       6.56128995       3.18108000       3.91317002      -0.18411819       0.12449178       0.28016839
K        6.62730996       4.02536005      12.08020000       1.16992930      -0.11234625      -0.90768190
K        2.38578996       4.53664995      11.26539998      -0.38797717       2.62437389       0.77974718
K        5.04525003       3.05072999       7.89771996      -0.80266899       0.72710807      -0.18961761
K        8.20088995       7.13928001       6.57459000       0.27521260      -0.35539793       0.95969304
K        7.42253002      11.42970005       1.43203998      -0.69376153       1.53818140      -0.90249775
K        9.12694000       9.47986998      10.43149997      -0.01767883       0.12761128      -0.28215705
K        5.47269995       0.82047698       5.17111002      -0.28222084      -0.41019948       0.09216525
K       10.20470000      11.49270003       2.30539005       0.34027240       0.29925470       0.41414298
K        7.26500003       6.12603999       3.55512001      -0.02508391      -0.62937406      -0.62939566
K        4.00310999       9.14412996       7.90060001       2.58105738       1.19520535      -1.11890200
K       10.62479996       6.60376997       1.95887004      -0.07360447      -0.54299851      -0.26829826
K        3.71362995       6.92051996       2.91800995      -0.98188503       0.27002992       0.29282047
K        0.51919704      10.43310001       4.10964006       1.15575697       0.02704539      -0.21348332
K        0.22699405       2.61990006       4.44095000      -0.04068591      -0.22802384      -0.38360254
K        0.59617101       0.40580394      10.31979998       1.62680106       0.11774386       0.43571501
K        0.60399302       5.56262006       5.44331994      -0.71929115       1.08873609       0.81970303
Li       4.39491996       2.68148999       2.85104002       2.67884223       1.37538319      -1.51048245
Li       0.30990694       9.01939995       7.76553997      -0.36442836       0.50054015       0.74111899
Li       3.48207999      11.82860001       2.10933994       0.56744165       0.41156609       0.24419129
Li       3.16984000       8.16484000      11.07129997       2.54442075       0.09737953      -3.31985833
Li       3.85835006       7.02929001       6.76665006       0.32685270      -1.75458301       0.15530957
Li       6.43284004      11.63190003       8.40511002       0.54196205       0.21955976       0.22942570
Li      11.03650000       2.10574004       0.86748797       0.76642925      -1.10603294       0.76176458
Li      11.97369996       3.39711996       7.98753000      -1.11648401      -0.24603617      -0.17014806
Li       8.81787006       2.58167999       5.01807005      -0.34052811      -0.87149915      -0.49135238
Li      10.04230003       2.22639003      10.50920001      -0.91533069       1.38378919      -1.17408103
Li      11.43899999       5.88846996       9.82580006      -1.49603164      -0.17713421       0.16003547
Li       6.90893002       8.42096004       0.11680699      -0.64841386      -2.11786603      -1.93046166
Li       8.54996998       9.98019003       5.20836006      -1.25268368       0.84710511       0.39676183
Li       9.76501996       0.38644597       7.26978005      -0.75536264      -1.36705311       0.52196497
Li       5.04057996       0.94204898      10.70800000      -0.26997986      -0.08824666      -0.08611165
Li       0.84245304       9.36246003      12.38169996      -0.86084520       1.42699882      -0.69140335
64
Lattice="12.40919302 0.0 0.0 0.0 12.40919302 0.0 0.0 0.0 12.40919302" Properties=species:S:1:pos:R:3:forces:R:3 energy=-536.67442606 stress="-0.013244356704821042 0.0016133819807639526 0.0008617455729135554 0.0016133819807639526 -0.018246725036720746 0.0012919014190623248 0.0008617455729135554 0.0012919014190623248 -0.011821858660340778" free_energy=-536.67442606 pbc="T T T" config_type=melt 
Cl       9.50957002       2.71013996       9.55533996       0.03770645       0.45780178      -1.35631514
Cl       4.11591998       8.57094002       2.30601002       0.34311100       0.17531767      -0.18527186
Cl       3.51856997       1.34375999       0.69892596       0.73010942      -0.67152272       0.84563755
Cl       3.11126998      10.96590001       6.57235995       0.19115211       0.58064762      -0.39295760
Cl       4.84676995       4.50598001       9.57972006      -0.05656635       0.13945610      -0.16879991
Cl       1.51640996       3.95722005      11.52960001       0.03085583      -1.42543504       0.28188710
Cl      10.64910001       4.65679997       5.10312998      -0.16855600      -0.18594922       0.35148370
Cl       5.99112997       1.88405998       6.54563005       0.79146263      -0.38470291      -0.50009444
Cl       1.11935996       7.05713996       3.39600996      -2.17383274      -1.61303878      -1.72065340
Cl      10.57940005       8.26543996       4.94341994       0.00217684       0.51249988      -1.22807554
Cl       6.03615003       0.33739504       9.85706006       0.93783093       0.23883410      -0.10513859
Cl       7.27778001       2.38052995       0.58962802       0.88425268      -3.23506873      -0.01243465
Cl      10.01939998       9.69246998       0.90473503      -0.41508919       0.63561503       3.92875678
Cl       7.07677999       5.04221003      12.01969997       0.41677908       0.93258939      -0.47455295
Cl       8.08452001      10.78070000       5.42450004      -0.31259854       0.08171659      -0.47835999
Cl       4.17949997       5.16253999       1.35370000      -0.45353451      -0.17240088       0.37582179
Cl      10.19990000       5.22698998       1.62364996       0.40865153       0.05596385       0.26694099
Cl       1.75244001       2.89357997       7.05161005      -0.43569728      -0.68135903       0.29732192
Cl       2.01997998       3.80325001       4.15199003      -0.02451421      -0.77287038      -0.34712574
Cl       0.94989506      10.87999997       3.26218004       0.23773181       0.01695163      -0.11815141
Cl      10.39169997       1.25667004       0.27739994      -1.32621231       0.51360518      -0.78322583
Cl       6.87307999       9.04928004       0.00520702      -1.12645060      -0.78411559       0.07480110
Cl      11.34740005       1.11501005       3.26254995       0.21375042      -0.94109318       0.19083900
Cl       7.33531994       3.28121003       3.91896996       0.41556341       0.49335461      -0.21981613
Cl       7.80634003       5.20678000       7.56123005       1.15871244      -0.68040645       0.16776015
Cl       4.07526995       8.79669005       9.77328001      -0.09340744      -0.23536768       1.02828622
Cl       0.81144396      11.23640006      10.53309999       0.55908458       0.19328560      -0.15398048
Cl      10.01000001      10.25729997      10.20189999      -0.30529835       0.13862987      -1.14569716
Cl       3.33541996       7.29264994       6.73980997       0.82952312      -1.76964540       0.95502598
Cl       8.05394003       8.53502000       7.34742002      -0.31821940      -1.53042094       1.03886885
Cl       0.47066903       6.48520001       8.83383995      -0.34285110      -0.17381357       0.07545863
Cl      11.94580000      11.29549996       6.50583997      -0.98380688       0.10592373       0.32465962
K        4.37122002       0.29553101       4.32780000      -0.31051287       0.14915284       0.20484813
K        0.40592605       0.18098895       0.58038602       0.65342408      -0.36822491       0.45360173
K        1.03466002       9.45764996       8.16637998       0.53124676      -0.26909198       0.42113943
K        8.25904997      11.27629996       8.28912998      -0.19169293       1.10919316       0.48620598
K        8.54769004       0.48457601       3.74882999       0.01163386       0.60129366      -0.42833591
K        5.33889001       4.66655000       6.78712994      -1.45802002       0.20449982      -1.21245572
K        2.50067005       6.40090994      11.51340006       0.20672724       0.73788568      -0.69961991
K       10.34289995       6.69988004       6.96395995       0.51872211      -1.05436396       1.87306940
K        7.87137003      11.50819998       0.36504595       0.50706415       0.82567868      -0.44783157
K        2.52671000       8.57873002       4.66402001       0.90029177       3.06462984       0.46563019
K        7.11970004       8.13771996       3.03868997       0.15471308       0.02190440      -0.46165735
K       11.25309998       4.50121996      11.22780000      -0.69381908       0.13190929       0.05956289
K        4.01592000       1.98186998       8.34850003      -0.55342352      -0.83723907       1.08324095
K        4.13400998      11.69010002      11.55739995      -0.37351302      -1.61067597      -0.57031232
K        5.54708003       9.76067997       7.49265002      -0.87842749       0.25682413      -0.02601118
K       12.20790003       1.45829002       8.54147998      -0.18515655      -0.55621986       0.42225570
Li       8.38842003       3.91447001       1.59568001      -0.00153714       0.61006624       0.02687106
Li       8.47948005       4.11137003       5.79215998       0.07089437      -0.52886110      -0.71057103
Li       6.91527000       3.59123994       9.35766003       0.29911223       0.06367767       0.46104646
Li       2.74872002       5.57456999       3.39190996       0.47086355       0.35460587      -0.77312408
Li      11.52570005       5.98089003       3.35309003      -0.00435277       0.13135059      -0.04745689
Li       8.48338994       1.89504001      11.12009999      -0.02433136      -0.58331347       1.26158814
Li       2.24566994       4.90967997       7.01400995      -0.41377575       1.45760997       0.07747118
Li       7.14140000       6.80251002       8.68926999      -0.43963426       0.99822587       1.05058076
Li       2.65046005       3.09160004       0.98159298      -0.82903592       2.11739477       0.18680638
Li      11.51190003       9.60260000       3.50235997       0.21159711       0.23949843      -0.64383912
Li       0.19029001       0.05960694       4.77093005       0.32810228      -0.25410968      -0.15956243
Li      10.78109995       9.07854998      11.72500000       1.26176084      -0.88274312      -2.06383296
Li       5.60615002       3.33196003       1.05331998      -1.44209465       1.24557579      -0.06340710
Li       9.84085006       9.50702998       6.68032998       0.58336498       0.99187607      -0.76708236
Li       4.49125005       7.93713999       0.17939995       1.31102970       0.44987865      -0.05533560
Li      10.97389997       2.98171006       3.83558998       0.12695985       1.16712953      -0.21638139
64
Lattice="12.40919302 0.0 0.0 0.0 12.40919302 0.0 0.0 0.0 12.40919302" Properties=species:S:1:pos:R:3:forces:R:3 energy=-537.92136998 stress="-0.006111170305999762 0.0003826838951712159 -0.0026739215916537734 0.0003826838951712159 -0.015297979293794475 0.0015784115915617788 -0.0026739215916537734 0.0015784115915617788 -0.014668144338709352" free_energy=-537.92136998 pbc="T T T" config_type=melt 
Cl      12.23309999      10.83490000       6.13177999       0.47849098      -0.34715365       0.53926021
Cl      12.13670005       5.23732994       8.85052001      -0.34798616      -0.18448088      -0.96944392
Cl       9.84934998       1.40677003      10.18160004       0.90570203      -1.13358232       0.61455028
Cl       6.72147998       9.12369996       9.95783996      -0.29059042       0.20195138       0.01435649
Cl       2.86081002       2.33792001       3.42844994       0.14144407      -0.35754601      -0.34821990
Cl      10.03239997       0.68514505       2.60952002       1.21745071      -0.86401058      -2.21320577
Cl       1.84167005       3.56704996      11.08509998      -0.43002067      -0.38876472       0.31302792
Cl       7.05962999      11.21000000       4.81890002       0.22430569      -0.42675170       0.74059822
Cl      10.51960003       8.46460999       2.97481005       0.33938377      -1.05864538      -0.48303017
Cl       5.33463998       5.21335997       9.79791003      -1.49942530      -0.87950739       1.02266733
Cl       5.00094996       5.81778000       1.64759003       0.17725681      -0.27899843       0.08471790
Cl       1.02033994       5.16783003       4.92974005       0.10283295       0.16974577      -0.16059735
Cl       4.20968000      12.11530002      12.05889999      -0.33127301      -2.02773223       0.15658902
Cl       7.26153004       1.13346003       1.62063999      -1.16075545      -2.00905791      -1.63497377
Cl      10.78570003       3.80106004       0.56658402      -0.24278786       0.14644669      -0.38549704
Cl       2.91742994       9.75119004       3.92364003       0.33549137       0.35531462       0.34033223
Cl      10.44640006       1.42588006       5.50287005       2.54410584      -1.69859686       6.02757071
Cl      10.01119998       8.20255998       7.09476997      -0.83890000      -0.13621828      -0.15992399
Cl       2.68628999      10.01929996       8.60823995       0.17563461      -1.42836133       0.73846002
Cl       2.34779003       0.39286500       7.69023999      -0.60317031       0.82962548      -0.31853929
Cl       4.92578003       1.64487998       9.62533997       0.74994268      -0.34463129       0.09840482
Cl       0.42228000      10.70610002       1.25894006       0.02208529       0.13059445      -0.13650963
Cl       8.80991999       3.52519003       8.60500996      -0.44060858       0.17736036       0.23317720
Cl       8.33880001       5.01170004       6.30401996      -0.28163912       1.54443809      -2.40534744
Cl       4.97212005       7.15441004       5.95248998       0.58309955       0.23319593      -0.28037068
Cl       5.81289996       1.88308995       6.20605000      -0.30154817      -0.35973459       0.27461539
Cl       6.89531006       8.75076003       2.85850005       0.55108720      -0.85133507      -0.56743578
Cl       7.88336004       3.58443995       3.37080006       0.86034929       0.41854089       0.45379315
Cl       7.27142997       3.63070006      11.87169999       0.41345826       0.54212802       0.84008281
Cl       9.49636999       6.75070996      10.36180002       0.17618857      -1.15462400       0.31985958
Cl       9.81537001      10.53390001      11.57150002       0.49838591       1.57609118       0.74663835
Cl       1.57152006       7.35155005      11.66220005      -0.04499013      -1.18299047      -0.02672001
K        0.16013406       7.69052999       5.95098996       0.19883766      -0.00947777      -0.05977461
K       10.57259994      11.47649996       8.35998002      -0.60007060      -0.30011678       0.33326176
K       12.37982468       0.71846795      11.89040003      -0.17734446       0.46399424       0.07530050
K        8.77397999       6.52469003       2.00940003      -0.33024871      -0.86333257      -0.49714232
K        3.96023995       7.34453005       8.72056002      -0.48166027       0.13289379       0.05957429
K        0.68001695       4.17421006       2.25247999       0.27800365      -0.19597633       0.05072550
K        7.26444000       6.25893996       8.53881002       0.92165571       1.13851533      -0.40072675
K        2.73673001       7.28106000       2.47095996      -0.38838414      -0.20447016       0.08719345
K        7.04932999      10.45860004       0.40964694      -0.39930098       0.42920412      -0.24020556
K        6.19836995      11.06890003       7.68279001      -0.00256934       0.24088198      -0.23392201
K        1.20177004      12.15710002       4.03211003       0.27917121       0.72419594      -0.70357581
K       10.44099995      10.78580005       4.07881004      -0.96887622       0.70829013       1.35857665
K        5.42814995       0.33818501       3.19754005      -1.61430432       0.06284824       0.93226996
K        4.03764999       2.32517006       0.12464302       0.40147549       1.08380575       0.25702216
K        5.40313004       4.20153994       4.59067002      -0.77714212       0.65381510      -0.21380389
K       12.31869997       2.01714001       7.89723004      -0.33634540       0.95971358       0.04035219
Li       1.85956001      10.91990000       6.88378006       0.04805715      -0.33878355      -0.45996857
Li      10.30939996      11.19679997       1.52166997       0.43239763      -0.45790661      -1.09086362
Li      10.00250002       5.63572994       7.61591997       0.69353988       0.11362837       0.62975884
Li       3.77778002       1.89317999       7.82737001       1.00433109       0.78250572      -0.31390089
Li       9.40588997       8.65522004      11.09420002      -0.48774532      -0.79547503      -0.51193650
Li       9.69345006       1.98531006       4.05259004      -3.06691941       3.05387125      -3.93368745
Li       3.84935997      11.18480003       9.99327999       0.41041906       0.87482642       0.51902701
Li       9.65985006       4.02740000      10.69460005      -0.13403426      -0.02574193       0.23305145
Li       1.88274001       9.29058003      12.03930004      -0.31180015       1.45276049       0.50956419
Li       5.64622005       5.32276997      12.02750002       0.20468723      -0.16122293      -0.37713053
Li       5.21299006       9.39968004       3.94417998      -0.25926392       0.07009778       0.92341044
Li       7.29877003       2.37468001      10.14209997      -0.09579909      -0.25217452      -0.67415774
Li       7.97832003       7.33158999       5.17869998      -0.06138664       0.09058540       0.34296546
Li       7.83314996       2.84000998       6.29164005       0.36714755      -0.17051057       0.28328997
Li       0.20227704       5.14887002      10.93730004       0.35824048       0.14740291       0.40826487
Li       8.51320998       2.62771003       1.49828001       1.21223118       1.37864241      -0.80169935
64
Lattice="12.40919302 0.0 0.0 0.0 12.40919302 0.0 0.0 0.0 12.40919302" Properties=species:S:1:pos:R:3:forces:R:3 energy=-536.26095059 stress="-0.012836352274152472 6.412545200459838e-05 -0.0010557115414375668 6.412545200459838e-05 -0.013208429442337797 0.0010387653947721367 -0.0010557115414375668 0.0010387653947721367 -0.014973133766002338" free_energy=-536.26095059 pbc="T T T" config_type=melt 
Cl       0.03270331       0.61523699      11.25909995      -0.76485314       0.21657213       1.41626523
Cl       5.38694001       2.79885005       7.68965998      -0.12526567      -0.39442373      -0.24305414
Cl       4.02869998       3.56147997       3.64444001       0.04891299       0.05915265      -1.09305110
Cl      11.90659998       4.88214000       4.81143999      -0.06912897       0.67873040      -0.23134644
Cl       8.11636001       5.17162004       3.86098006      -3.62811363      -0.99220148      -1.05668403
Cl       8.98167004       4.28116005       6.97876995       0.69153652      -0.39021005       0.47100846
Cl       1.01794000       9.04744001       4.98686999      -0.74134655      -0.93189295       0.07525699
Cl       5.41362996       8.32836996       8.66902998      -1.00691742       2.08435568      -2.29303559
Cl       7.11400000       0.54892301       1.27652996      -0.01642392       0.42240002       0.58516020
Cl       9.84212001       9.99659002       6.44656994      -0.23795093       0.09235922      -0.24673626
Cl       4.01137998       5.89335000       7.00339004      -0.64708797      -0.26270615      -0.52638282
Cl       5.50859999       5.17948995      10.94690004       0.18693185      -0.13347206       0.32626794
Cl       0.32201397       1.74912998       6.04763995      -0.11958058      -0.12518062      -0.16384086
Cl       2.66698997       2.67357999       0.51396098      -1.21264926       1.53465803      -2.78950317
Cl       5.33878999       8.76178001      12.05949998       0.80948222      -0.71911709       0.39134344
Cl       3.59423999      12.04890004       5.13001996       0.59854405      -0.32703616      -0.61121696
Cl       2.07744000       5.66600998       0.62304796       0.41772818       0.55413139       0.44993385
Cl       1.80196001       3.60932001       9.15972000      -0.40688571      -0.57979602       0.39200023
Cl      10.55930002       3.95724003       1.30706005       0.53715958      -0.04981241       0.19313805
Cl       3.05857000      12.25219998       9.37566999      -1.27865027      -0.81577443      -1.72768662
Cl       9.32647002       3.48091998      10.60709998       1.88988107      -3.05121232       2.08962050
Cl       7.76849000       0.41772905      10.09770000       1.35264677      -0.86217904      -0.01057135
Cl       8.59079995       1.50625999       4.94146004      -0.22530008      -0.33671529      -0.93677624
Cl      11.65959996       0.50220600       2.73712995      -1.25453181      -0.59667892       0.27837097
Cl       3.20029998      11.30919996       0.84848800      -0.10791486       1.43773846       0.31039323
Cl       5.72244005       8.35955997       3.85516995      -3.24080574       3.36088876       3.46024048
Cl       4.52875001       1.26308994      11.17839999      -1.14170663       0.28943949       0.95361352
Cl       9.24125001       8.33533995       2.81312000      -0.33628966       0.10610182       0.01513464
Cl      11.39579999       6.19559997      11.31520005       0.52856759       0.28602695      -0.33925283
Cl       0.12546997       8.19924002       1.82893003      -0.18015317       0.44896737       0.69767354
Cl       1.37797996       8.48638006       8.80626002      -1.01179881      -0.27898285       0.48536233
Cl       8.53838997       6.86874000       9.28434999      -0.56865390       0.88042553       0.37998507
K        8.77845002       6.49276999       0.17054301       0.21306934      -0.60114310      -0.10387584
K        7.62329996      10.84079995       4.52301001      -0.04408752      -0.16602139      -0.33189934
K       10.70649997       8.66644006       8.89240005       0.58880325       0.09050645       0.27482089
K        2.49864003       8.88547001       0.42149400      -0.20554946      -1.44191631      -0.76243684
K        4.19331997       1.36203005       1.88050003       2.14371988      -2.00293397       1.54253960
K        0.94347603       2.48077005       2.35280000      -0.90385833       1.26568035       1.89142672
K       11.99040000       1.19220999       8.74640998      -0.06389468       0.22776850      -0.85730241
K        9.94442996       0.95911695       0.63467699      -0.13759252       0.43334089      -0.63091489
K        5.70377997      10.90049996      10.20239996      -1.04692466       0.01546138      -0.30037726
K        2.96829994       9.68836999       6.92750001       0.86758722       0.06700560       0.19859168
K        6.82224995       6.28119002       6.51070996      -0.01212199       0.10853064       0.14354846
K       12.40800000       5.47236999       8.11132002      -0.45250321       0.23593211      -0.58893662
K        1.23657000      11.22680006       3.29182994       0.75959518      -0.26463116      -0.19718976
K        7.73897995      10.21829998       0.47439501       0.03213237       0.00857344       0.20113383
K        7.53578996       0.44136794       7.28370999      -0.53352145       0.42642111       0.30709536
K        2.55255996       6.25075995      10.15509996       0.59751297       0.06314949      -0.15201224
Li      12.30769997       6.18230004       1.15136005      -0.27375488      -0.72244130      -0.73356456
Li       4.24478995       3.98954004       5.61009999       0.21031468       0.49006755       1.95206627
Li       9.89003997       5.74767997       4.02500006       3.14168076       0.46376515       0.24060505
Li       2.16187004       0.57778506      11.49099997       1.10794533      -0.23486282       0.06529198
Li       6.16312995       7.26341996      10.02730004       1.00278236      -1.53939811       2.03230478
Li       4.29619999       4.48353004       0.34660005      -0.73388024       0.00319269      -0.06233941
Li       8.49163002       4.80091997       9.67051998      -1.66411946       1.66120680      -2.47987208
Li       6.34680003       1.60355005      11.02790006       2.61460690       1.24842134       0.13254799
Li      10.87869999       8.78096996       4.78352997       0.36463332       0.25864446      -0.22310826
Li      10.36899995       2.46494994       5.90062005       0.28090092       0.85079286      -0.28889768
Li       6.70473005       7.38491006       2.80926000       3.56427205      -3.30673236      -2.91114561
Li       7.60190999       2.62841996       3.06591003       0.32728794       0.08155832       0.36810892
Li       3.77901002       2.59619999       9.40209996       0.37011961      -0.30086548      -0.30778547
Li      12.14400000       3.21061996      11.72300001      -0.23974974       0.38067639      -0.06144468
Li       1.52926006       7.26821996       3.51451006      -0.33548582       0.02827060       0.22113573
Li       2.41429003       0.93296805       6.23558996      -0.27930224       0.56742357       0.72025545
64
Lattice="12.40919302 0.0 0.0 0.0 12.40919302 0.0 0.0 0.0 12.40919302" Properties=species:S:1:pos:R:3:forces:R:3 energy=-537.88298613 stress="-0.012444015204793582 -0.001807450878014959 0.0018279107384163874 -0.001807450878014959 -0.012397768536955548 -0.0009332161389631482 0.0018279107384163874 -0.0009332161389631482 -0.01752629386514139" free_energy=-537.88298613 pbc="T T T" config_type=melt 
Cl       3.71878994      11.64169994       2.31412005      -0.15091247       0.61957570      -0.23462718
Cl       1.00852999      10.73119998      10.68239996       0.69893750       0.48176212       0.82007592
Cl       8.66363000       2.22902003       6.84219003      -0.79813266       0.68068407      -0.72548454
Cl       9.64368002       6.81105996       6.64284999      -0.43661106      -1.09910588      -0.08313146
Cl       4.78882994       4.00620001       3.07375004      -2.61359178       0.94806361      -0.64155586
Cl       9.94350994      10.05960005       4.58402998      -0.89840321      -2.69785194      -1.23298640
Cl       9.71250996       9.81070999       8.87129002       0.75848693       2.65207085      -0.10738533
Cl       4.52569002       9.23163003       6.47444000      -0.32998943       0.58431458       0.04515638
Cl       4.70419999       8.95207002      10.44719996      -0.91741184       0.58483397       1.59609807
Cl      11.72120006       0.41941496       9.48429001      -0.90978743       2.86132677       0.85624072
Cl       0.44732498       5.52118006       5.42824997       0.11650320      -1.08879904       0.15583528
Cl       8.72978005       2.76800006       1.10587005      -0.90654738      -0.64368016      -0.35829720
Cl       8.71962995       6.05304006       3.36694998       0.68032571      -0.82001984       0.48735730
Cl       7.02114995       6.56758005       0.69519501      -0.19590482      -0.08570774      -0.86674223
Cl      12.01153708       3.98952999       1.17751999       1.03023138       0.03505221       0.02328978
Cl       2.70260001       1.88038996       7.86182997      -0.14410190       0.15928093       0.00623567
Cl       2.41258004       2.34736006      12.13590003       0.90600956      -0.43587401       0.32064656
Cl       2.52450997       8.56009997       0.65621203       0.42856341      -0.90980707      -0.52434786
Cl       9.81936999       7.15735003      11.20940002       0.11567320       0.33087492      -0.06447375
Cl       0.98505800      12.08450003       3.84981998      -0.90426271      -0.36947267       0.21727407
Cl       4.23605996       5.30021998       9.65714002       0.44091259       0.21929806       0.80600423
Cl       0.23519801       7.81039994       3.58578995      -0.73047501       1.12451915      -1.08671503
Cl       0.29075595       8.03320998       8.63296005       1.02712402      -0.63808533       1.12452068
Cl      11.20810003      12.13462697       6.54551998       0.18603586       0.56864840       0.42244745
Cl       6.45549997      12.17900001       9.52921005       0.14349581       0.38095765      -0.27669866
Cl       9.05668994      11.19970000       1.22155004      -0.03503225      -0.41425784      -0.11659778
Cl      12.36495214       3.86623002       9.36427996       0.01266848       0.23763104       0.51020480
Cl       5.20920997       8.29995998       3.14763996      -0.35186371       0.14846788       0.50278119
Cl       6.96473999       7.36988004       8.00970995       0.21716710       0.48111776       1.93818963
Cl       5.19337001       4.06619994       6.50981997       0.25939430      -0.40621749      -1.66808811
Cl       6.52016005       0.91185294       4.34083996      -0.00742739      -1.63627897      -1.70540695
Cl       9.18129996       3.42755996      10.10250000      -0.62568856       0.35383845      -0.27007135
K        6.19624004       6.71741001       5.60591996      -0.17149670      -0.12696499      -1.20891882
K        9.82862005       0.91815495      11.78880001       0.13806704      -0.16607747      -0.51773635
K        3.44328005       0.00600704       5.93538006       0.01140301      -0.73969189      -0.49001227
K        8.13641004      10.75159994       6.42329005      -0.67579444       0.24967676       1.01962349
K        7.19474004       3.42523001       3.23490996       2.14496081       0.14624219       0.99434118
K        7.35646000       9.72282002      10.85990006       0.68770181      -0.04782198       0.34852771
K        1.94635003       2.28315998       3.62317996       0.07835520       0.70914387      -0.40445473
K        1.56543000       6.13495997       1.81793995       0.31245099      -0.81534721       0.09384465
K        3.60445995      12.31080003       9.95096005      -0.43107525      -0.11126087       0.39404990
K        5.16940996       1.58008997       1.02632998      -0.21114535       0.22476509      -0.13828217
K        6.30261002      10.85459997       2.59867004       0.97694066      -0.24605952       0.00905414
K        2.49420002       9.53567003       4.07130000       0.57275484      -0.20549292      -0.03077017
K        0.30699103      10.02359999       1.16998997      -0.53293643       1.00834123       0.33336893
K        9.80717994       8.13648003       1.89553997      -0.30247994       0.55845598      -0.47937887
K        2.07011002       5.12439996       7.91860997      -0.25929384       0.16984170      -0.45507352
K       11.73270003       8.40661997       6.34808997       0.07084223       1.11734564      -1.39397150
Li       9.08671994       8.00112998       8.94395999      -0.40583630      -2.73776777      -0.12747512
Li       4.99667003       8.37716998       8.58706999       0.29803405      -0.67748637      -1.83384584
Li      12.38944776       2.16068000       8.06762998       0.68875625      -0.47707076      -0.01290804
Li       5.30257996       3.55691003       8.41954005      -0.25848246       0.04924168       1.90889848
Li       3.73707998       7.20813999      11.56569996       0.48715786       0.04627637      -0.40138724
Li       0.83299699       8.70606000      10.49970003       0.22609584      -0.76569358       0.43037460
Li       0.52868697       3.15687997      11.67049994      -0.48261636       0.31109468      -0.78228557
Li       9.92194004       1.30573004       8.26155005       0.08561067      -0.44352085       0.53583847
Li      10.06020004       4.14943994       1.75187999      -0.45465172       1.00886511       0.58516233
Li      11.03180002       6.40115006       4.34626004      -0.44127012      -0.49793638       0.55146580
Li       5.58034995       6.45124994       2.29036997       0.07837586      -0.89097979      -0.18411190
Li       8.26241001       5.55432005      11.36370002       0.08610292      -0.39396416      -0.03518752
Li      10.80929996      11.76770004       4.42909004       1.46950196       1.95321975      -0.29894532
Li      12.15879995      11.00910001       8.90554994      -0.28743098      -1.90398667      -0.92858078
Li       6.13119998       1.66836996       6.05656998       0.25934923       1.77711655       2.30220375
Li       9.06035996       4.72717003       7.52246001       0.17666319      -0.28966353       0.34682430
64
Lattice="12.40919302 0.0 0.0 0.0 12.40919302 0.0 0.0 0.0 12.40919302" Properties=species:S:1:pos:R:3:forces:R:3 energy=-534.32025954 stress="-0.01085812719031782 0.00019893273679206093 -0.0030146850211734163 0.00019893273679206093 -0.0167195584445767 0.002156974278075797 -0.0030146850211734163 0.002156974278075797 -0.02786602968136383" free_energy=-534.32025954 pbc="T T T" config_type=melt 
Cl      11.66130002       2.36556000       0.05477455       0.14200209       0.40084213      -0.68998990
Cl       3.72529000       7.08245000       8.46975000      -1.35799799       1.28861215      -0.55476020
Cl       6.71295002       5.62743998       7.97618999       0.00595635       0.00152158       0.18054678
Cl       9.87924000       7.53011003       8.15696997       0.20625389       0.97641403       0.86123931
Cl       6.26158995       3.71895002      11.93420001       1.03945288      -0.04335767       0.21611384
Cl       8.80670998       6.78399997       3.54692994      -0.57834202       0.51682022      -0.52613296
Cl       1.34042999      10.75159994       8.71258997       1.88846788      -0.03048206      -2.82963432
Cl       4.87252995       9.63500003       6.16959998      -0.10856176       0.45115056      -0.43678488
Cl       5.08845003       7.54500999       0.81213900       0.04975043      -0.68198523       0.18281394
Cl      10.40669995      11.67669995      10.92459998      -0.48828059       0.05729883      -0.29125571
Cl       9.45492998      11.64980004       4.57832995       0.33404562      -0.57353593      -0.10800153
Cl       1.61315005       5.62733003       2.01193001      -0.50561534       0.50749121      -0.06538752
Cl       2.40855996      10.87239996       2.64783998       0.19792651       0.26528850      -0.61663255
Cl       9.03686998       3.40435005       9.02718994      -0.88406270       1.14409215       1.85061379
Cl       7.01297006       0.46969602       0.60885594       0.16839833      -0.15860274      -0.07732303
Cl       2.45081996       2.38853996       6.58868002       1.27356574       0.89008611      -0.16033238
Cl      11.49359995       3.24042002       3.16459997      -0.62529692      -0.49995876       1.65490163
Cl       0.66081695      10.23809997      11.44660000       2.29766092      -2.78555594       4.49055254
Cl      10.72460002       9.77716000       1.94987995       0.34955436      -0.94354537       0.55359252
Cl       3.27579999       0.80244605      11.41629998       0.01103025      -0.99132815       2.51878983
Cl       4.01236005       4.58876000       9.97448999      -0.85254002      -1.28565606      -1.68496206
Cl       2.83047004       2.50962998       2.39690996      -0.78328128       1.48029375      -0.26611240
Cl       0.16812806       6.73591001       5.70464998       0.28142409       0.53790098       0.72128301
Cl      11.02090003       3.20856996       6.66512996       0.82681820       1.34646922      -0.12272938
Cl       5.25167001      10.01270001       9.92317004       0.26173367      -0.01310586       0.42786955
Cl      10.48989999       5.76118006       1.09151001       0.46212229       0.04602711       0.29465566
Cl      12.28919997       5.14251006       9.56968003       0.43933643      -1.22794877       1.46208522
Cl       6.27130994       2.95278994       5.04728998       0.33744337      -0.24381475      -0.27870900
Cl       9.08116000       8.43008998      12.11610004      -0.63290895       0.32381336      -2.10629040
Cl       4.05199005       5.92913005       5.28737002      -0.09382231       1.15056696       0.43862242
Cl      11.24600006       0.30820700       7.61314006       1.15825856      -0.35751010      -1.24050643
Cl       6.38834998       0.49323403       8.67864996       0.62151533       0.71904511       0.20906808
K        9.47306999       5.68375004      10.99509995      -0.30839393      -0.01931438      -0.96435703
K        3.42584004       1.14110000       8.95962995       0.07796014       0.63242622      -2.05295146
K        9.36461997      11.07490000       8.28314999      -1.28727391      -1.03574460       0.23780445
K        8.74748003       6.38296005       6.12750006      -0.52749062      -1.53731718       0.18040327
K        9.28170001       1.83696002       5.07461999      -0.21253581       0.76657105      -0.46679375
K        5.11595004      10.17239999       1.23243005       0.04717484       0.65199872      -0.11253852
K        2.69817005       4.18501003      12.05739997      -1.22310020      -0.81650062       1.68779922
K        0.01974216       7.69975002       9.14362999       1.17731024       1.54817748       0.11909651
K       11.31720004       2.19494997       9.52284004       1.35805565       0.02737154       0.88285738
K        5.54465999       6.66594996      10.52339997       1.03208032       0.89099051       0.67055901
K        7.98165996       9.41784995       4.97771995      -0.58371512      -0.46761309      -0.09858266
K        4.36317005       0.74283700       3.33319996       1.26177344      -0.92707107       0.84084479
K       10.94569995      12.38803286       1.32823001      -0.26944658       0.77861972       0.36850785
K        8.24773999       4.07101000       2.17270997       0.07814822      -0.02733920       0.11090657
K        4.37778994       5.35467996       2.61104002       0.61102636      -0.19582008      -0.63419449
K        0.34927002       9.51360996       4.06998003      -0.34141958      -0.15628444       0.14761261
Li      11.23000002       9.28855001      12.12100006      -0.98326027       0.06862828       0.72649979
Li       5.26477002       8.58389001       7.97077002       0.19999401      -0.40197056       0.38100430
Li       0.82025101       1.37988005       6.10181997      -2.10959071      -0.43590885      -0.13717813
Li       5.72169996       3.87667000       9.09843000       0.91083268       0.06846768      -0.37584142
Li       3.19874002       4.08675999       4.99185005      -0.40999879      -1.44104139       0.19665052
Li       2.70697996       7.50806001       6.52662003       0.48497666      -0.52308747      -0.27583097
Li       5.94399998       0.00676065      11.10260005      -0.49936549      -0.17641066      -0.46892569
Li       3.48204004      10.56179997       8.77454994       0.23725534      -0.56237003      -0.16783606
Li      12.09830005       4.16186998       1.43905999       0.26709142       0.28639837      -0.84113994
Li       0.28820897       5.81052000       3.75494003      -0.40170960      -0.76220432      -0.44176233
Li       1.74887001      11.44299997       0.35011099       0.91347421       0.84246213       0.63190285
Li       7.88206005       2.10465994      11.45970002      -0.15491206       0.18391238       0.01433190
Li      12.30229998      10.84849998       9.96432996      -3.60958736       2.43724841      -2.39837159
Li       9.11023003       7.85536999       1.64940996       0.68241959      -0.34541230       0.79729766
Li       8.05611996       2.19151002       7.86327998      -1.32023780      -1.13564012      -1.01895788
Li      11.66169996       5.29953003       7.64290003      -0.53954261      -0.48356870      -1.54602022
64
Lattice="12.40919302 0.0 0.0 0.0 12.40919302 0.0 0.0 0.0 12.40919302" Properties=species:S:1:pos:R:3:forces:R:3 energy=-535.02731191 stress="-0.018098776198295155 0.005739420455036014 -0.0008040108894840766 0.005739420455036014 -0.011717987078494262 0.00583467461616826 -0.0008040108894840766 0.00583467461616826 -0.022918675390273178" free_energy=-535.02731191 pbc="T T T" config_type=melt 
Cl      11.71610000       0.87235994       0.71914301       0.05076440      -0.15295227      -2.23194583
Cl       3.79035996       4.95945002      10.26839999       1.10013036      -0.64497494       1.59551258
Cl       6.83939002       5.79432997       7.15836994       1.01798025       0.51032068      -1.05999076
Cl      10.19549995       4.49728005       7.44542001      -2.11242868       0.47992038       0.83610296
Cl       4.97921997       7.30015006       0.81182604       0.10954029       0.10826297       1.44239388
Cl       4.96585999       1.05166000       9.69938997      -0.11347229      -0.33095814      -0.55796982
Cl       1.13177995       6.90741995      10.39890003       1.27917986      -1.01598411       1.73904625
Cl      11.88030006       4.05346005       3.95560996       0.07967944      -0.49092313      -0.03281223
Cl       2.45983996       3.31201002       1.51401003       0.27505167      -0.24796601       0.82424580
Cl       1.03937998       2.46164996       8.98362002      -1.34814432      -0.32463857       1.43731319
Cl      10.72639998       0.54841200       5.36227997       0.73422758       0.19747427       0.15844263
Cl       0.84060295       4.87445995       6.91853995       0.71158917       0.36348638      -0.14714850
Cl       6.85857997       1.97095002       0.57099797      -0.31245303       0.34563708      -0.17183018
Cl       4.09658001       2.65152005       4.76523994       0.61941319      -0.97690606       0.46529292
Cl       5.24196006      10.07130006       7.78326004       2.54186676       0.96867497       1.42053537
Cl      11.40700004       8.95132001      10.78529996      -1.70862332      -0.93965055       1.62578287
Cl       7.50768996       7.46747996      10.59770002      -0.73386980      -0.15220074       0.35049566
Cl       8.46365002       1.69084996       9.11638002       0.03591044       0.18896959       0.39655322
Cl      10.43740005      10.22050001       2.43079004       0.25284489       1.16736088      -1.70517454
Cl      10.57009998       4.34727003      11.43199997      -0.07324756      -0.10736982       0.53806277
Cl       6.71192006      10.46369997       1.04773001      -0.66477203       0.06042376      -0.12323590
Cl       8.92445001       5.72427996       2.97876995      -0.25837983      -1.14392043      -0.74058534
Cl       3.20786003      12.36469998       2.80633999      -2.66786316      -0.42696196      -2.65189247
Cl       3.31073001       6.96660001       7.25753999       0.88727080       1.40165122       0.26301365
Cl      10.52090002       8.36152000       6.90360002      -1.46270510       0.51089975      -0.41192590
Cl       5.04836995       6.01401004       4.22765000      -0.31404125      -1.00194320       0.14201613
Cl      11.87166301       8.25732001       3.88553004       0.86230194      -1.79453112       0.15988525
Cl       7.63622997       7.99863003       4.11989005       0.25745677       2.51157866       1.14863163
Cl       4.02420004       9.19752001       4.08103997       0.03486692       0.74551913       0.36198843
Cl       2.05219003      11.14210000       7.30552001       0.51224211      -0.24230849       0.58000925
Cl       3.22106999      11.01639996      11.29800004      -2.39400028      -1.15376599       4.70828201
Cl       7.93683001      11.95014806       3.80745003      -1.47155910      -0.34041739       1.50710183
K        0.99471198       4.38128003      11.99050002       0.03984719       0.46002702      -1.11703753
K        9.09091003       0.53797699       1.64868005      -0.20344993      -0.70246878      -0.68526947
K        7.16398994      10.20799998      10.33489999       0.15183670       0.48651076       0.05934502
K       10.35720005       3.35873001       1.56746995      -0.44374497       0.14173712       0.36468782
K        9.65538995       7.89727000       0.75902604      -0.33030451       0.13082606      -0.02895351
K        3.34856006       1.34386994      12.05179995      -0.10643067       0.74353638       0.14711267
K        0.11516600       1.13623001       3.09100006       1.33431907       0.35557071       1.85891034
K        0.90346594       9.66956001       0.57839497      -0.33035219      -0.19216970       0.33790477
K        2.91465004       1.97370995       7.16529005       0.30562736      -0.17525956       0.01634772
K        6.34301994       4.36505004       9.27572995       0.15639331      -0.65346454       0.85523708
K        0.34306802       7.82282998       8.20004004       0.47843383      -0.11457788      -1.56189266
K        9.69552997       6.15702996       9.67046005       0.24364308       1.27491000      -0.98102563
K        0.05494555      10.69500000       5.43955996      -0.26749110      -0.57445851      -0.53881983
K        2.39463995       6.74288000       4.70076004      -0.96637738      -0.34856481      -0.74962778
K        8.29618994       1.59921998       6.02619004      -0.66819780       0.35100029       0.30379776
K       12.29324202      10.75159994       9.32990997       0.53918748       2.26054601      -1.23243246
Li      11.51769997       3.37451004       6.57426004       2.03255849      -0.87633412      -1.14963577
Li       6.75342000       1.69376004      10.78380006       0.57934858      -0.19513606       0.03975356
Li       6.13148998       9.36161000       3.33143996      -0.26119062       0.45130119      -0.69601326
Li       6.14816000       7.71193995       6.53217004      -0.56143445       0.21373144      -0.32436882
Li       9.35797001      10.16080000       4.19251002      -0.55867144      -0.14701019       0.61306856
Li       6.69269996       6.45903994       3.09867998      -0.23201409      -0.59272536      -1.27046678
Li       3.98947998      11.11049999       9.70032004       2.18490559       0.78129050      -5.20026069
Li       4.14468002       3.53197004       2.91002997       0.18050470       0.78876332      -0.51714362
Li      10.78790006       5.91068006       3.87103002       1.51910892       0.77965643       0.38072703
Li       8.69533995       6.55781004       5.31094004       0.03850809      -0.36196090       1.02391202
Li       4.10141996      10.96159997       1.08987994       0.87238725      -0.34889798       0.38126204
Li       2.68253000       5.67108001       8.79529997      -1.72865520       0.02719784      -0.71785965
Li       4.70817999       0.00004294       3.91515003       2.56685192       0.33994840       1.98116691
Li       4.59480005       7.40669998      11.27149996      -0.09478833      -0.67462768      -1.24410341
Li      10.69549997       3.29496996       9.56527005       0.22509967      -0.80268896      -0.87522909
Li       3.70829003       9.21665003       7.05428994      -2.42221562      -0.89801519      -1.33929017
64
Lattice="12.40919302 0.0 0.0 0.0 12.40919302 0.0 0.0 0.0 12.40919302" Properties=species:S:1:pos:R:3:forces:R:3 energy=-537.75194273 stress="-0.013056109225682693 -0.0008981838152659181 0.004163314158628372 -0.0008981838152659181 -0.012572369948790107 0.0009677138399546918 0.004163314158628372 0.0009677138399546918 -0.01615440628329508" free_energy=-537.75194273 pbc="T T T" config_type=melt 
Cl       6.47259996       1.33292999      10.61420002       0.99677838       0.21551381      -0.97343565
Cl      10.53429996       1.87071997       6.86329000      -0.98605859      -0.58659720      -0.32000886
Cl       7.55322004       7.71536997      11.53190005      -0.71892934      -0.65518919      -0.08984011
Cl       7.29185004       6.67248005       7.26659994       1.08122403      -0.17801971       2.04231014
Cl       9.56934994       0.64145005       1.99109994       0.41659139      -0.07108070      -0.34370523
Cl       1.81294004       0.99654295       3.47316002      -2.05428003      -1.31034480      -1.29217299
Cl       9.60480996       4.88198004       5.20536002       0.74829177       0.23766583      -0.58045047
Cl       4.59215999      12.07500005       7.61104998      -0.27343972      -0.10398350       0.17609338
Cl       0.80727906       4.40222004       3.78514996      -0.16683119      -0.37118036      -2.61453142
Cl      10.42519995       7.10856999       1.29063003       0.35559856      -0.00640729      -0.12057156
Cl       1.44479006       5.55116998       9.64868005      -1.70141384      -0.20189591       1.96793524
Cl       4.18130998       4.14796002       3.71820001       0.16007711      -0.04013859      -1.10333588
Cl       9.01203000       9.79784997      10.04319994      -0.30333210       0.40773748      -1.51668725
Cl       1.56184995       2.91662000       6.89516004       0.96243072       0.89147674      -0.45994832
Cl       1.34606996       3.25506001       0.60247898       0.46551159       0.55330962       0.32574212
Cl       0.94080495      10.93180004       5.97353994       2.88974582       1.23239815       1.58637699
Cl       7.19402006      11.59880000       5.03550000       0.34843713       0.34991618      -0.26381504
Cl      10.40619998       2.72287998      11.01210005      -0.50265385       0.11684165       0.63660334
Cl       6.21324001       2.35611995       6.46723001       0.81019470       0.38425109      -0.46626023
Cl       5.48352995       9.91530000       1.71076001      -1.52382129      -1.34824321       0.24708796
Cl       4.80206000       5.51392006      12.27619998      -0.09464232      -1.88751801       0.34175057
Cl       8.49718996       8.64443000       3.28500004      -0.05821582       0.38654534       0.00947427
Cl       4.48719001       8.03059003       9.08374000      -1.13340606       1.31132707       3.54395788
Cl       1.59329000       6.86537996       6.15543997       0.11748446       0.07206481       0.69925006
Cl       0.37615304      11.51419995      10.51970005      -1.42024990      -0.02947054       0.71304856
Cl       5.89106001       8.50603995       5.61249000      -1.60703417       0.63604100      -1.50970881
Cl       4.92320003       4.61462001       8.56634006      -0.69723872      -0.00889116       0.05289733
Cl       4.72134999       1.27160997       1.13382002      -0.33775970       0.50041178       0.71203258
Cl       2.74267997       2.17533005       9.97855003       0.25768325      -1.02839693       0.06770319
Cl       7.54916000       5.46198002       2.39082995      -0.29362070      -1.12085669      -0.54692689
Cl      10.97780005       8.31927005       6.01300999      -0.38099865      -0.27966701      -0.44096568
Cl       2.17149002       8.04752994       0.39872201       0.36073085       0.58471192       0.19696019
K        9.49563996      12.13289998      11.32839996       0.19600355       0.96475596       0.25476575
K        2.35659001      10.65629995       9.07588002       1.46629170      -0.33316056      -1.04473600
K        6.41504997      11.67700000       0.13740402       1.05424124       0.46903475      -0.79295162
K       10.88110005       4.28822994       2.03239004      -0.85055466      -0.61818385       0.15399711
K       12.21810001       2.49944005       8.95386005       0.60271137       0.15854724       0.99717201
K        0.35178300       5.93631001       0.19969494       0.52839965      -0.42811932      -0.60557054
K        8.43198002       9.32888001       6.54046001      -0.27945424       0.42225002       0.00373391
K        7.46120004       2.03765005       3.58125005       0.08603465      -0.29720939       0.35636979
K        2.54495995       6.45737003       3.57063001       0.73139815       1.19958007      -0.64995434
K        6.31933005       5.48106002       4.91618003       0.50168443       0.17739813       0.85422329
K        8.26466005       4.57400001       9.70222001      -0.58939422       0.17686203      -0.17776291
K       11.37579997      11.06509996       4.57712998      -3.13946244       0.42042793      -2.01848284
K        2.48624002      10.81940005       2.00412004       0.52609763      -0.08337067      -0.05044292
K       11.17920001       8.30658996      10.96800001       0.20592513       0.02147485       0.04595582
K       12.38257977       0.88428704       0.23590596      -0.25793696       0.20197525       0.42240830
K        3.56168000       1.84791994       5.04682004       1.83585519      -0.57414628       1.85861085
Li       2.73408995       5.84823005       8.21774995       1.59814730       0.01735828      -1.39579046
Li       2.12554002       3.08988000       2.95148995       0.74029713      -0.39828409      -1.38854849
Li       5.01806000       7.56330995       7.36954003       1.30081464      -1.16177033      -2.94554634
Li       0.47181998       9.04790002       6.43781997       0.49194825      -1.66857381       0.36697872
Li       7.77757006       7.37022998       1.29960995       0.40758754       0.34617256       0.15369599
Li       4.43594004       7.43006004      11.78859997      -0.28257608       1.42056319      -0.53433110
Li       6.49331004       9.71568001       3.52080003       0.51347688       0.17697032       1.49711245
Li       7.63501995       1.09952995       7.80332000      -0.47126445      -0.03819221      -0.41835942
Li       9.83313005       7.12928999       4.19845998      -0.04143482      -0.44648638       0.22750773
Li       0.06166860       4.77792003       5.42949002      -1.63890348       0.95893065       3.70455185
Li       7.03327001       8.48756005       9.19080999      -0.02265555      -0.59652359       0.49649198
Li       4.48423997       1.88414002       7.73738996      -0.17530810       0.31666211       1.09700745
Li       5.59358001       4.32575000       1.60400000      -0.05299207       0.14276887       0.12926326
Li       4.49419996       1.69229998      11.40999996      -0.29169464      -0.14293791      -0.33410280
Li       3.28478996       3.93681996      11.02059998      -0.19565790       1.33806671      -0.12324319
Li       0.10300896       1.72874999       6.09623001      -0.21447859      -0.79517217      -0.81688271
64
Lattice="12.40919302 0.0 0.0 0.0 12.40919302 0.0 0.0 0.0 12.40919302" Properties=species:S:1:pos:R:3:forces:R:3 energy=-536.45546355 stress="-0.017663271940561324 0.0003928327325646119 0.0008048631862797433 0.0003928327325646119 -0.01560704078150533 0.005155313560795656 0.0008048631862797433 0.005155313560795656 -0.02275913473995938" free_energy=-536.45546355 pbc="T T T" config_type=melt 
Cl       7.28476005       8.19085997       8.95489001       1.67600848      -0.27889227      -0.31798183
Cl       9.16267996       6.88397997       1.28267996       1.08329490      -0.83260909       1.52548096
Cl       4.25610006      10.05270005      12.22399996       1.82802417       1.24325096       0.77558489
Cl       0.39597102       1.50803004       4.95759000       0.71719866       0.27146370      -2.30457499
Cl       3.00173999       4.29119003       0.86076802       0.08869302      -2.41765480       1.71302346
Cl       1.27874997       8.06270006       5.66327003       0.33028004       1.28222682      -1.03839723
Cl       9.23744994      10.59409998       1.16696994      -0.20290948      -0.07376386      -0.16050362
Cl      10.88969999       7.20301995       8.00432002       0.10236884      -0.97695668      -0.54578603
Cl       3.06753005       6.49828004       8.90287005       0.35751428       0.27591859      -1.09041497
Cl       2.94668003      11.05670006       7.21570997      -0.73608877      -1.56260168       0.44539323
Cl       9.61394002       2.10820996       1.77705005       1.31618865       0.77913878       0.15420076
Cl      10.93100002      10.55330005       5.84688005      -0.21020712      -1.17228897       0.18806884
Cl      11.58100000       5.47047002       4.56137005       0.75852805       0.70803363      -0.40403124
Cl       5.17401005       1.21627005       8.31266004      -1.01462687      -0.55390394      -0.28193796
Cl       8.95458003       0.94395304       6.03068006       0.31707408       0.61042797       0.22200764
Cl       3.43221998       5.20534996       4.76907997      -0.16502792      -0.05208051       0.01193416
Cl       1.76709998       8.93868001      11.13810002      -0.96801600      -0.19120019      -0.03833655
Cl       6.66799003       4.73147006       2.90604004       1.02192729       0.00548130      -0.78394361
Cl       6.62938999      11.41829997       5.58423005       2.22228236      -1.68660462       3.48049822
Cl       5.83657000       6.27193996      11.98700001      -0.91124264      -0.52927124      -0.12619801
Cl       0.81780900      10.14219999       2.79359997       0.12862267       0.83610199       0.49144458
Cl       6.58847998       4.00276998       6.77407994       0.41025671      -0.22025212      -1.04240276
Cl       0.98469404       0.97300805       0.91252403       3.75242341      -2.36472072      -0.66695282
Cl       8.66482996       1.89097004       9.18811000       0.42656259      -1.02784414       1.26672446
Cl       5.71677996       2.66054004      11.92079994      -1.47069552       1.30990671      -1.96435071
Cl      11.71280003       5.26600995      11.78709995       0.01640853      -0.28554139       0.18864482
Cl       2.21455005       7.38010001       2.23336003       0.99094672       0.25677098      -1.39956043
Cl      10.09300002      10.74279997       8.92373996      -0.16232909      -0.64623669      -0.95436985
Cl       0.80109506       1.32052998      10.16780003      -0.38117582      -0.00441770      -1.01993886
Cl       4.95308001       1.66262997       2.92832000       0.33866127      -0.42126196       0.78635509
Cl       4.65167994       9.65973999       3.87366002       1.10578172       0.65653146      -0.88010034
Cl       7.04874998       8.00044996       5.54293002       0.98811604      -1.26259504      -0.02060424
K        3.40751005      12.35919998      10.24759995       0.05010721      -0.13902675       0.38147557
K       12.17339999       1.00653000       7.30864998      -1.19229684      -0.85531208       2.24094736
K        0.97124905       5.79719005       6.83925004       0.30107860      -1.92796395       0.92628656
K        7.63501995       8.17968996      12.15660005      -0.06539746       2.10754726      -1.06603808
K        2.30927004       2.64274997       2.87861002      -0.33304378      -0.10781977       1.07371184
K        6.07486001       5.39714000       9.03987003      -0.45289134       0.00709105       0.78611096
K        7.13692003       1.28697999       0.94061398       1.19451245      -2.06709435       1.31658570
K        4.46978003       8.06537002       6.31783995      -0.66284300      -0.39811774       0.59421006
K        4.99421995       8.85393006       9.92652995      -1.65129600      -0.03627517       0.05218979
K        9.17210003       4.26898006       4.44985000      -1.08141721      -0.91028127       0.23884240
K        5.64117001       7.28623005       2.53540003      -0.34850545      -0.00978436      -0.19674753
K        9.78180004       4.25740005       9.15562000       0.61475002       1.17449785       0.25668184
K        0.78832104       8.82903995       8.39544996       0.27997365       0.78775710       0.46588242
K       10.14520003      12.13899997      11.07440003       0.12830900       1.14220587       1.44569967
K        2.82615003       6.00060998      11.60450004      -0.58956943       2.41635754      -1.55816610
K       11.92480005       8.44028003       0.78928598      -0.33317841      -0.07317059      -0.10226303
Li       2.72368000       9.51357000       4.34609996      -2.43938352       0.06770379      -0.19619107
Li       5.28822997       3.82084004       1.37244000      -0.36025532       0.00164402      -0.47609786
Li      11.83849994       1.58418997       1.51684999      -4.73416632       1.47480161       1.87009995
Li       7.62406003       9.48928000       4.29146998       0.29446709       1.17532010      -0.31624609
Li      11.88249996      11.75439999       4.42685999       0.47991251       0.20603150      -0.86187290
Li       2.74694997       9.18443998       0.94382994      -0.91371814       0.03715262       0.33670994
Li      10.39089995       5.08652996       1.37988005       0.17774234      -0.32299148      -0.62291249
Li       1.36606998       2.40621996      11.89950006       0.47381603       1.32248080      -0.26596712
Li       5.47959003       4.00428998       4.38092996      -0.83592080      -0.54349094       1.40402668
Li       9.60234003       8.64871005       8.83113003      -0.87592825       0.25132794       0.04440283
Li       1.23281995       6.50986005       3.74148003      -0.38967147      -0.68927792       1.24016342
Li       7.08499004       1.93407995       7.84561004       0.22878621       0.48986836      -1.20888224
Li      11.11970004       8.07823996       5.68648999       0.17134602       0.34451135       0.01185823
Li       5.62176004      11.90470001       4.22978996      -3.08085690       1.55017646      -4.36091720
Li       7.93244001      11.52830002       7.25514998       1.18173832       0.41442022       0.32027925
Li       3.65021997       0.38999500       6.57327004       1.00895691       1.43515565       0.01716217
64
Lattice="12.40919302 0.0 0.0 0.0 12.40919302 0.0 0.0 0.0 12.40919302" Properties=species:S:1:pos:R:3:forces:R:3 energy=-535.51866543 stress="-0.018318714896329615 0.0031635514613046587 0.004408226389218823 0.0031635514613046587 -0.010375119836475898 0.002033805510389333 0.004408226389218823 0.002033805510389333 -0.014099555490155858" free_energy=-535.51866543 pbc="T T T" config_type=melt 
Cl      12.21639995      10.64259995       7.65180996       0.48553498      -0.53834253       0.07358322
Cl      10.25890001      11.14620000      12.13930002      -0.22383142      -0.59435278       0.14694025
Cl       9.84808995       1.28841996       8.91606996       1.71424205       0.47340436      -3.49657333
Cl       5.40344995       5.17176994       3.26732005       0.09841660      -0.20497787      -0.49075975
Cl       0.35624398       9.80871000       1.81446004       2.04624733      -1.39491365       1.32203964
Cl       9.68575996       3.93339999       7.21592998      -0.26871905       0.66180056      -0.09699548
Cl       7.12867995       3.16714001      11.54150005       0.01931879      -0.18560382       0.13229892
Cl       2.36012998       9.96492995      11.36139997      -0.53718623       0.27232804      -2.20464618
Cl       4.46939001       3.54360999       9.32647002       0.88117808      -0.00997385      -0.02595040
Cl       9.52040995       6.70699001      11.80769995      -0.08245530      -0.65104618       0.32226390
Cl      10.13249997       8.12666994       9.03536003       0.18189648      -0.28410461      -0.24389759
Cl       0.71310197       3.45982001       7.27363000       0.28946201       0.31600911       0.44706239
Cl       3.24834999       0.45298704      10.38720002      -3.29514004       3.31434056       2.24120325
Cl       9.79962994       4.45719004       3.28898005       1.89375243       0.41915881      -2.39936562
Cl       4.42638000      10.11840002       7.64973005      -0.06967142       0.43161883       0.62882696
Cl       2.28908003       0.36986195       5.28431996       1.05644384      -0.06615610      -0.13941415
Cl       2.24960006       8.19739999       5.45607002      -0.87143114       0.58022802      -0.93488843
Cl       6.35339998       2.83519000       6.57957006       0.60140258      -0.49197058      -0.69535273
Cl      11.42379997       2.79368001      11.19199997       0.08818563       0.99796023       0.49330989
Cl       2.27149000       5.08567000       4.20653998      -1.23909216      -0.03975004       1.06030188
Cl       5.15112998       8.62811997       4.30815997       4.08469848      -1.00032032       0.20637622
Cl       6.15099004      12.30480006      10.25980005       0.44033573      -0.26288324       0.01919959
Cl       2.66456000       7.52162003       8.30899995      -2.16512667       0.34028591       3.72001142
Cl       9.97346996      11.58650001       3.66249998       0.38392042       0.80770399      -0.83474765
Cl       5.96295999       6.77330995       7.89662001       0.09248997       0.33795286      -1.07176639
Cl       6.20111995       0.75078100       2.38909006       0.07932920       0.12900742      -0.36956278
Cl       7.77735004      11.14039994       7.13443000       1.18803544      -1.10433348       0.29416960
Cl       0.20065094       0.69254701       1.33306004       1.34048906       0.04176583       0.14688804
Cl       9.39346998       8.00476005       4.77279999      -0.02247287       0.18322031       0.14972620
Cl       3.20227999      11.73960004       2.20174996       0.61713227      -0.65821475       0.29535387
Cl       4.98177999       8.39918997       0.28553504       0.29163684       0.26604620       1.76478489
Cl       0.54200799       6.00000999       0.57052804       0.41957802      -0.54517470      -0.13038172
K        4.70279998       7.59092996      10.21549997       0.03565216      -0.09926907      -0.43214304
K        7.45039995      10.31520002       1.60108000      -0.15751262       0.32854154       0.11868801
K        5.61334003      11.94540005       5.80691004      -0.61405218       0.70145263      -1.08152035
K        7.76914000       4.06899003       4.59101003      -1.99862404      -0.14956452       1.27206887
K        2.21655996       4.51040997      10.36050003      -1.16387842       0.20996690       0.28226439
K       12.28080006       0.76734305       6.35520006      -1.47301115       0.45693911       0.54770742
K        7.64671996       6.63719004       1.61404996      -0.24334395      -0.28343273       0.34159001
K        0.16320695      11.81980003      10.24829995      -0.28362693       0.68282986       0.27507849
K        3.74949997       2.81535006       6.69527002      -1.71429638       0.22266254       0.18605660
K        7.78880000       5.09057994       9.14491000       0.11009118       0.05831423       0.49445300
K       11.48279998       5.06329002       5.31362998       0.67504315       0.02032371      -0.14649178
K        8.66960006       0.62742394      10.83529995      -1.25514278      -0.18927719       3.40307098
K        3.18176995       2.64841006       3.48838994       0.57585961      -0.83618784      -0.66718357
K       10.33889997       2.10198005       1.78527995      -0.83344219      -0.14039793      -0.12605225
K       12.07529998       7.53091997       6.78334005      -0.13029523       0.84091616       0.32356457
K       12.01610006       8.53204006      11.96689997      -0.70453721      -0.50204633      -0.97838383
Li       3.26799995       6.72603006       6.73890000       1.46663306      -1.23336332      -2.85348329
Li       1.37958000      11.78789997       3.49699001      -0.32556873      -0.20094616      -0.65300164
Li       3.38213995       5.93176998       2.68022996       0.51527374       0.57670069      -0.33132451
Li      11.40910004      11.20660001       1.71856999      -1.50756862       1.26262690      -0.02367026
Li       3.52379995       9.46201998       4.15392003      -3.06943593       1.45660776      -0.14711855
Li       9.36080005      10.31920000       5.19653001      -0.27697794      -0.82258618       0.84645470
Li       4.26487001      11.57529996       9.56988999       2.10195942      -2.69293281      -1.64488598
Li       2.65337001       9.28595003       0.79199503       0.44881081      -0.28880928       1.59935124
Li      10.83710003       4.84614006       0.05895074       0.36119463       0.46780317      -0.15613927
Li       2.55011994       0.18154103       0.36368404      -0.76877608      -0.24839256      -0.68709996
Li      10.82330001       3.90410002       9.17810000       0.26674459      -0.94481197      -0.22355156
Li       5.32189003       1.31654006      12.19253298       0.93718708       0.14672762      -0.33687946
Li       2.38371998       9.73611994       8.55128994      -0.50543026      -0.08376164      -0.32218907
Li       6.91510000       2.13932999       8.41708998       0.29097318      -0.61238590       1.36559588
Li       9.08818001       9.97056000       8.96602999      -0.11684707       0.49046982      -0.46885519
Li       6.40045006       8.75168997       6.68565997      -0.16165486      -0.13542976      -0.10600855
64
Lattice="12.40919302 0.0 0.0 0.0 12.40919302 0.0 0.0 0.0 12.40919302" Properties=species:S:1:pos:R:3:forces:R:3 energy=-532.96723462 stress="-0.0342233582478699 0.0054185843041855974 -0.005133344004166859 0.0054185843041855974 -0.02165437798778795 -0.003163906921490887 -0.005133344004166859 -0.003163906921490887 -0.020393148268313566" free_energy=-532.96723462 pbc="T T T" config_type=melt 
Cl       0.47534394       2.04768996       7.17863006       1.57681895      -0.81234885       0.52501556
Cl       5.43463996       0.44064399       1.91482001       0.65612728      -0.13462794      -0.99104753
Cl       5.54344004      10.10950003       4.09244005      -0.22510984      -0.48802276       0.03303143
Cl      10.08449997       8.79263001       5.54940998      -0.34005047      -0.43116320      -0.98532522
Cl       7.13513000      11.90169996       6.61367003       1.10285164       1.29414377       0.06589285
Cl       8.64647999       0.49941194      12.23349994       0.18510075      -1.15184431      -0.86823234
Cl       0.53861097      11.38469997       5.39312997       0.41385340       0.60729794       0.09382969
Cl       2.44476006      10.27239997      10.90399997      -0.36654402       0.00791320      -0.10636659
Cl       0.99317895       7.26655006      12.26760003       1.35062904       0.91042913      -1.36068291
Cl       9.95824003       2.68133996       5.92679997      -0.06270945       1.22773150       0.35087362
Cl       3.52490995       5.53480002       9.57578001       0.51427331      -1.05358284       0.45942472
Cl       3.86575003       2.02108006      10.89299997       1.35150730      -0.47960932      -1.03120220
Cl       5.85165995       2.79055997       6.10099998       0.10439017       0.32625909       0.04586150
Cl       0.88321699       8.28989997       6.97886004       0.55428703      -2.74898242       0.59608640
Cl       9.51121002       8.65775995       1.49701998      -2.32241747       0.46346046      -1.58236568
Cl       0.70589905       8.83263998       3.52705997       0.17247897      -0.59872223      -0.53471942
Cl       5.78462003       6.77284001      11.57360003      -0.29477029      -1.14787461       1.90240824
Cl       6.19646005       7.74015001       7.48580002      -0.10069904       0.08784334      -0.29574238
Cl      12.38350003      11.11490004       1.37862995       0.02957382       1.12709201       2.25906957
Cl       7.15267995       9.46164001      11.41860003       0.16033792       1.96263134      -0.92767881
Cl       3.56463004       5.69137003       4.31186995       0.24226124      -0.50146049       0.11392492
Cl       9.61657002      10.32770005       8.33179006       0.11040854       0.56129483       0.53929294
Cl       6.90862004       3.76924001      10.44620002      -3.64467460      -3.31630367       0.76926351
Cl       4.10083003      10.38740006       7.61256005      -2.21941455      -0.01852577       0.98952489
Cl       7.76121003       4.97305000       2.53267001       0.38102834       0.01935530       0.38395594
Cl       2.04449000       1.44218996       2.68972001       0.25966515      -0.37267510      -0.51190270
Cl       9.10669998       6.51854996       8.81615002       0.02326000      -0.20951294      -0.14949470
Cl       9.73146004       0.33641397       3.09688003      -0.20901871      -0.49120455      -0.26269038
Cl       0.88665000       2.37529005      11.12800005      -0.18798677      -0.75059059      -0.11114921
Cl       9.81962996       4.36022001      10.94120000       4.23453213      -1.38268241       2.80384674
Cl      11.05100002      10.85300005      11.25270003       3.22136234      -0.73231101      -0.46897120
Cl      11.68089996       5.00005004       3.17383006      -0.81426921       1.24535346      -1.18420378
K        1.96400000       6.52758001       2.13341006       0.42451715      -0.36089160       1.23489274
K        2.20234995       7.69785005       9.55878004      -0.54180116       1.00428954       0.05290755
K        4.57519997       0.82075594       4.42832005      -0.59919716      -0.17173794       0.80972334
K        0.81184999       3.36788998       4.40038001       1.17290048      -1.00125294       0.61182959
K        7.98616996       1.60594999       4.88987999      -1.86707548      -0.45709822      -1.47390619
K        8.88557995       5.77821006       5.44220001       0.04800502      -0.20062758       0.08207321
K        0.30018595      10.40119995       8.18562999      -0.81152951       1.97250414       1.56954148
K        3.37533004       8.10534996       5.77873001       0.58158132       0.29530788      -0.08997371
K       10.96849998       6.72624002      12.33579996      -2.03526068      -0.78980048      -0.23448151
K        3.87988001       3.70009003       7.70182000      -0.60435195      -0.32152824      -0.60741311
K        2.71759999      12.32780001       9.01310005      -0.26987213       1.22680955      -0.09826085
K        7.70260997       2.68823004       0.85498695      -0.51246121       1.05747488       0.39244985
K        4.79866001      10.87900004      12.16890004       0.58999462       0.18319154       0.36606233
K        6.37425996       7.14167002       3.50044002      -0.63274474       0.27369618       0.12443308
K        8.24165005       1.35879001       9.32536002       0.07695751      -0.13348273      -0.28852132
K       10.26300001      12.24710005       6.03371001       0.05203503      -0.67629332       0.11798925
Li       8.31208004       4.74413004      10.02500000       0.94809127       4.00612275      -3.08889130
Li       4.86968998       3.91201994      10.48509999      -0.89945623       0.88891798       0.43494988
Li       8.24867998       8.06993002      12.34689999      -0.52749081      -1.31826637      -0.07703202
Li       0.28196801       3.74763002       0.05671833      -0.61023180       0.43852311       0.43484279
Li      10.79720001       8.59473999       2.82333004       2.88270827       0.09168691       3.09941171
Li       1.24969000      11.52589996       3.09363999      -0.15428545       0.13216879       0.58763084
Li       6.25902000       7.81341004       9.95329000       0.47625484       0.63876407      -1.83087604
Li       5.78399994      10.44080004       6.66970001       1.22362899      -1.49448539      -0.98016435
Li      12.27139998       9.26108002       5.54568003      -0.56524879       0.35098141      -1.36389944
Li      10.53969994      12.24240006       0.99256097      -0.16987398       0.09538853      -0.17996473
Li       9.20787995      11.03499998      11.09879998      -3.17198406      -0.16418186      -0.60940657
Li      11.58359998       3.45030005       6.66604997       0.40531428       1.40051608       1.00966230
Li       3.02317004       1.42908002       0.24779396      -0.95590408       0.01911467       1.32089714
Li       0.79596498      10.12479994      12.33270002       0.10617828      -1.20510661      -1.53215665
Li       9.70618003       8.21419000       7.71242998      -0.18674836       0.57611180      -0.10600282
Li       7.21739997      10.95209999       2.97244995       0.27026761       0.62442312      -0.24787395
64
Lattice="12.40919302 0.0 0.0 0.0 12.40919302 0.0 0.0 0.0 12.40919302" Properties=species:S:1:pos:R:3:forces:R:3 energy=-538.03497914 stress="-0.015554246726903682 -0.001086078624172619 -0.005068932435142422 -0.001086078624172619 -0.008205025899975984 -0.0005178615011781353 -0.005068932435142422 -0.0005178615011781353 -0.011367151750664219" free_energy=-538.03497914 pbc="T T T" config_type=melt 
Cl       3.16234001       5.28081002      11.73960004       0.04273621       0.01851838      -1.39925551
Cl       3.13246997       6.27733994       6.24877001      -0.34365876      -0.76404775      -1.12140937
Cl       7.00097000      10.79800003       0.21951900       1.14090926      -0.25096831      -0.10747634
Cl       4.69449004      11.87209994       5.31779004      -1.44202709       0.92504671      -1.02474015
Cl       8.79341005       3.98882999      12.10770001       0.49449537      -0.54022109       0.31150990
Cl       6.34774995       8.44021997       8.88463003       1.51564685      -0.21338639      -0.41586857
Cl       1.69033994      10.06879998       0.10584396      -1.12781076      -2.49864496       1.66521889
Cl      11.56559995       2.40816001       3.17170994       0.17000426       0.68665355      -0.64583530
Cl       4.66366002       3.25789998       6.83949997      -0.06278432      -0.78544997       0.61256059
Cl       7.09355995       9.56042004       4.99515995       1.07316056      -1.29471801      -1.06484085
Cl      10.32119999       0.43420201       5.77384997       0.37322820      -0.27538591       0.19036776
Cl       2.58649997       5.03949006       2.36730002      -1.15332945       0.37935360      -0.22774245
Cl      11.02280000       7.02030997       6.53426000       0.38722157       0.72550802      -0.29292527
Cl      11.41940005       4.33280997       9.89823004       0.20507470       0.17378852       0.14525877
Cl       7.91633003       2.17045001       3.06181996      -0.26219789       0.50659049       0.04055011
Cl      10.44150004       7.84455997      10.65340004      -0.93380068       0.46511093      -0.69936494
Cl       6.74720994       0.90908197       8.76279000      -0.58812016      -0.48522721      -0.00446753
Cl       3.36230001       8.36823995       8.11690006      -3.53497235      -1.62106013      -1.24131797
Cl       6.46912005       5.05232997       9.58451000      -0.70744202      -0.04049948      -1.12547925
Cl       9.47824996      11.68680004       9.75852995       0.14103080      -0.41410044      -0.51681121
Cl       5.72929004       2.08244004       0.02370702       0.38321024       0.02581111       1.16364813
Cl       2.21498995      11.78179998       7.94819001      -0.05424918      -0.55931764       0.08328939
Cl       7.06277994       6.13903998       1.23458999      -1.38445737      -0.28878300      -0.45606516
Cl      10.74510001       9.86726004       2.61943000      -0.26674982      -0.36011435      -0.01619333
Cl       6.51507005       5.33199000       5.70633999       0.81729126       0.10542233      -0.92124178
Cl      11.58200006       6.02139004       1.89678995      -0.19738560       0.37500291      -1.27153945
Cl       9.87855998       3.74481003       6.82338005       1.13578290       0.99032524       0.42120557
Cl       4.79760994       8.51986999      11.88799996       0.37632772       0.26513871      -1.53197832
Cl       4.06988994      11.91460006      10.97780005       0.25980301       0.00209358      -0.54877242
Cl       0.42893803       1.17943994      11.70240001      -0.09466299      -0.99134334      -0.18420862
Cl       1.91034004       8.65831005       3.78224001      -0.23389948       0.22076214       0.22070141
Cl       1.68442994       2.36682995       6.67861006      -0.88294823       0.74896488      -0.55555871
K       11.29079998      10.09809995       5.57077998       0.01727905       0.36884777      -0.18106939
K       10.26850001      11.17650002      12.29851208       0.55518459       0.00545035       0.51365334
K        1.43719005       4.83108002       8.49030000       0.90982057       0.11554291      -0.37633423
K        4.05587996       7.87087999       1.86883998      -0.35198073      -1.05453570       0.76872668
K        7.91057005      11.76270000       2.85924001       0.44935340      -0.16987597       0.57194346
K        0.16737098       1.21636995       8.73923003      -0.75105969      -0.30950538       0.24182036
K        8.05324996       7.13839002       6.76396000       0.44272059       0.90091091       0.60648873
K       12.25470006       8.68267004       8.69395000       0.84275686       0.60772554       0.09263432
K        4.63735005       4.50685994       3.86462998       0.50619205      -0.66331561       0.83492918
K        9.00144000       2.30821004       9.69892003       0.18585228       0.10424227      -0.11983922
K        0.39558696       5.74354002       4.31661001       0.89933444      -0.50020473       0.77766677
K        4.60707001      11.41180004       1.57156994      -0.84425319       0.17312918       0.17246695
K        8.99110996       6.69163996       2.90331995       0.31116685       0.40179044       1.11232176
K        7.87998003       2.11959006       6.23548001      -1.18892789      -0.46121529      -0.51032395
K        4.61127002       2.54980996       9.98089996      -0.35669607       0.26387725      -0.67880364
K        0.88436906       3.71936995       0.12944501       0.45541076       0.69351786       0.63614704
Li       4.52709996       9.39650999       9.01293997       1.75506398       3.19258237       2.65459482
Li       0.23659901       8.70983997       2.38146995       0.09146772       0.26377067      -0.53810518
Li       4.23998995       6.80111002      10.45910000       0.23383521       0.16131706       0.24272693
Li       2.12627998      11.71319998      11.65260005      -0.59094306       2.16799542      -1.03737073
Li       7.41253999       5.48647998      11.33539999       0.16523791       0.55955932       1.15867201
Li      10.64910001       5.51498005       8.03795997      -0.34378217      -0.98722645       0.41816343
Li       3.34947002       8.87725003       5.45374999       0.04980598      -0.38209050       0.92892462
Li       3.51308002       1.01966004       6.89280006       0.26091700      -0.07058173      -0.17626211
Li      10.49280002       3.48334002       0.96887902      -0.00079364      -0.33186246       0.99522988
Li       5.26863002       5.50159004       7.50061995      -0.50432852      -0.39423217      -0.13456687
Li      12.19949999       2.23467999       5.41734006      -0.67280768      -0.42184155      -0.32114099
Li      11.27429997       7.15790000      12.34008188       0.48904122      -0.66827579       0.95406272
Li       6.10270003      10.81460005       6.17318003       0.60842580       0.16311442       1.77912632
Li       6.03195994       0.03826089      11.54519998       0.68060281       0.59332961      -0.64077676
Li       7.42275003       9.61045006      10.38650002       0.19390261       0.46791049       0.41182608
Li       6.92536004       3.49027006       1.55326998       0.25677422      -0.02067360      -0.63875033
64
Lattice="12.40919302 0.0 0.0 0.0 12.40919302 0.0 0.0 0.0 12.40919302" Properties=species:S:1:pos:R:3:forces:R:3 energy=-533.19927039 stress="-0.023305119513824826 0.008551712552863636 -0.002071666910445034 0.008551712552863636 -0.016572285767559244 0.005398260958071771 -0.002071666910445034 0.005398260958071771 -0.02682569841678219" free_energy=-533.19927039 pbc="T T T" config_type=melt 
Cl      11.60629999       1.74685997       1.71901002      -0.43529718       0.45347586       1.90901195
Cl       0.82541696       3.68716995       5.70985998       3.68532110      -1.22702222       4.21290797
Cl       9.65044005       0.06758146       0.40653695      -2.36205749      -1.41129200       2.44696570
Cl       5.93444999       4.33661996       5.41439995       0.51182784       1.16350275      -3.00232307
Cl       2.28006997       1.98588001       2.19776996       0.50591905       0.37916239      -0.54101284
Cl      11.52859995       3.29807003       8.47684000      -1.56483002      -0.39762378      -0.00027659
Cl       3.68842006       7.85654005       5.69786997       0.18299759       0.39482832      -0.67685484
Cl       1.42494999       9.15647003      10.53550005      -1.47795433       0.76727775      -0.16409449
Cl       6.44891999       4.69055000       8.46973003       0.48349926       2.90400003      -3.25511376
Cl      10.28790004       8.90337995       3.70373995      -6.04953386       1.69149267       1.73588795
Cl       0.30958504       8.41450006       6.89422004      -0.34228345       0.67733401      -3.19447359
Cl       4.59581003       1.35286003       7.14056994      -1.07759367      -1.02661873       0.54919623
Cl       4.08296005      11.07939995       0.49720894       0.72315685      -0.12094159       0.76190463
Cl       1.10010003       5.54433996       0.68373897      -0.49010169      -0.34814173      -0.54454604
Cl       6.73365997       2.15557995       1.86497998       0.02990032       1.83134050       0.26257531
Cl       9.21969996       7.28411006       6.72057001      -3.32844592       1.93198964       0.99501909
Cl       8.22549006       1.80230995       6.40385998      -0.01464175      -0.38469267       0.29125552
Cl       9.15468000       4.79545000       5.08684999       0.50877276      -0.54622459      -1.32078667
Cl       6.86853996       5.52604000       1.15760001       0.28396705      -0.09865804       0.50251860
Cl       7.17708995      10.46620005       3.99190995       0.79934724      -1.58005244       1.11481905
Cl      10.37290004       8.35149995      10.20500006       0.32698062      -0.29878444      -0.04146286
Cl       6.64004006       8.91833997       0.17353897       0.50248194       0.22714234      -0.02256449
Cl       5.51674998       9.97935005       8.98678002       0.68003933       0.27039996       0.96040410
Cl       0.49511501       1.76897005      11.44590000      -0.26499692      -2.05068079      -3.43987266
Cl       8.45630005       3.50525999      10.28529995       0.86003309      -1.23569044       0.77598090
Cl       0.71184405       7.21575005       3.81917001       0.44381097      -1.40285556      -1.17044320
Cl       1.39893002       6.29467000       8.57466005       0.14228684      -0.17976931       0.60907849
Cl      12.16330002       0.20698199       5.72282994      -0.17125304      -0.36188986      -0.49953716
Cl       3.80731998      11.45690001       4.63681001       0.79402299      -0.80888928      -0.42218079
Cl      10.22859999      12.04429995       9.27210001      -0.54709736      -0.18077072      -1.01135491
Cl       4.00493998       4.11036997       9.99992003       1.69057595       0.02850219       1.67589909
Cl       0.45874305      10.76840001       2.23524002      -0.90509600      -1.67823425       0.11456453
K        1.70719994       3.53928005       9.18390998      -1.24350180      -0.69241608      -0.52943844
K        2.46429995      11.95329999      11.04290004      -0.77838138       0.36213922      -0.74356537
K        2.42674005       1.29893005       4.81606005      -0.27534040       0.78470607       1.10833042
K        7.53245003       7.63429997       3.65096005       0.15493681      -0.72726255      -0.02619267
K        7.26358997       7.90442998       9.62110000       0.64156898      -0.67554352       0.15979640
K        4.15870998       9.07101003       2.90404005      -0.22663055       0.12442855      -0.20527035
K       11.89829997       4.30240000       4.00729003      -3.16884119       1.51032298      -4.88018683
K        4.10274005       3.45442995       0.67683697       0.63838521       0.66914833      -0.18878518
K        3.56805001      10.24930001       7.29153001      -1.28032667       0.31807995      -0.80587481
K        9.71810006       3.73630006       0.75036703      -0.66642339       0.14545753      -0.42557297
K        7.05291004      12.20009998      10.49270000      -0.04593883      -0.21187526      -0.03784660
K        3.74915003       8.22331001      11.13289995       1.57388145      -0.66994596       0.52430361
K        6.99152995      12.05380006       2.01683003      -0.25408379      -0.96395814      -2.07486382
K       10.58999999      10.36650000       6.81549997      -0.49308526      -0.08934672      -0.26206978
K        9.72733001       9.31847006       0.50470298      -0.18629020       0.11859151       0.11477919
K        4.13402003       5.50731998       6.90872998      -1.14663151      -0.32196805       1.42330850
Li       1.60453000       6.89168000       5.53114005       0.75455402       0.10030611       1.87976563
Li      10.43660003       0.34187401      11.14329997       2.04224796       1.07324246      -1.37972300
Li      12.12510006       7.08656998      11.05930003       0.68008136      -0.20848917      -0.05513927
Li       6.03601998      11.94790001       4.76641000      -1.03482959       0.92605133       1.21287895
Li       5.89647004       2.76421004       6.56584003       1.42064698      -0.96786664       1.07294927
Li       0.17135396       8.52858000       8.78311998      -0.08050923      -0.35632309       2.62455101
Li       0.97659294       0.25967701       2.10820996       0.21252076       1.30286299      -0.36790264
Li      11.67259995       2.10381996       6.64317003       0.01493878       0.43031685      -0.00638040
Li       9.58268995       1.85100996       8.74277000      -0.04335607       0.71197953      -0.37795930
Li       0.80739198       2.85042005       0.51493597       0.58405470       2.17375488       2.79634534
Li      10.94280005       6.57079006       6.58523994       2.82927717      -1.06602733      -0.10178318
Li       7.73010998       5.12181996       6.79648002       0.55471295       0.04650709      -0.35354770
Li      11.85410003       8.51891002       3.11364001       4.99252475       0.16627933      -2.52645527
Li      10.63080005      12.14130001       3.03417998       0.72233122       0.02598472      -0.21271649
Li       7.51747002       3.64966999       3.59201006      -0.33742419       0.20997954       0.19129426
Li       6.31499006       3.64408995       9.96297004      -0.67882717      -1.63073242       2.84188033
64
Lattice="12.40919302 0.0 0.0 0.0 12.40919302 0.0 0.0 0.0 12.40919302" Properties=species:S:1:pos:R:3:forces:R:3 energy=-535.50176677 stress="-0.017155803712998484 -0.005426892582952862 0.001319305101921008 -0.005426892582952862 -0.02015638522042276 -0.005563608221638582 0.001319305101921008 -0.005563608221638582 -0.014501884816168703" free_energy=-535.50176677 pbc="T T T" config_type=melt 
Cl       4.30685999      11.26310006       5.27111000      -0.19216845       0.42590723       1.40729488
Cl       2.10212995      10.52139998       1.47173004       0.81960801      -0.06506856       0.24150420
Cl       5.65326996      12.12770003       1.02690999       1.04518104      -0.51885834       0.17924710
Cl       7.89694997      12.01899997       6.99878995      -0.35158282      -1.01962682      -0.36677437
Cl       1.53637003       5.23713996      11.23859997      -0.15263739      -0.78875939      -0.21968658
Cl      11.43119995       7.71924003       4.39814995       1.85900703      -4.49052066       0.97109519
Cl       8.23721997      10.37960001       3.12737004      -0.00984745      -0.11856630       0.09020803
Cl      10.61700003      10.27649997       5.96576000      -0.54945608       0.19677332       0.47901281
Cl       3.55320998       6.62575000       2.54633998       1.06707973       1.63534185       0.83581788
Cl       3.80188996       2.41996004       1.56792996      -1.21958281      -0.73259223       0.21073512
Cl      10.09949995       9.45422006      12.13780000       1.19444094       0.73136133       0.39579453
Cl      11.39019997       7.39019005       9.12292997       1.93967327       4.66018022       0.03898289
Cl       2.22673004       0.86142496      10.52920003       0.44117965       0.47959574       0.11510387
Cl       0.58829006       3.61810994       4.45159995      -0.68535233       0.15529049      -0.44476952
Cl       1.04653997       8.61393006       6.77318003       1.17641102       0.38879153      -0.11924434
Cl       7.58460003       6.99731996       1.82217000      -0.65333674      -0.97756368       2.38152527
Cl       8.85064001       2.52869001       3.03643001      -0.20520571      -0.27996230       1.34498129
Cl       4.69794998       3.47073998       5.28631002       0.07044079       0.23271579      -0.63083261
Cl       5.46584995       5.80365995      10.75770006      -0.44993100       0.24939143       1.46215194
Cl       2.73801001       9.81509006      10.23710003      -0.31841283       0.52433982       1.18529107
Cl       8.27378006       2.53149995       7.00016998       2.56613831       2.44895525      -1.20733598
Cl       5.26914997       3.46163994       8.71487004      -1.87944958      -2.83244476      -0.71380639
Cl      12.12059999       2.70731004       0.37669197       0.17234124      -0.80963024      -0.27234887
Cl       0.42710296       6.60564996       1.41087995      -0.17479184       1.74236987       0.07724197
Cl       7.68533004       8.11400996      10.94519998      -1.51581936      -0.46657961      -0.05793778
Cl      11.67030003      11.69729995       3.29365000       0.46431896       0.27626058      -0.76287105
Cl       9.87256001       5.99577002       6.65400003      -0.42584095       0.19170238      -0.44806999
Cl       7.10453998       0.65971502       9.96714995      -0.09378887       0.00723720       0.27812332
Cl       3.72236999       7.20735002       8.18376998       0.13736486       0.05735327      -0.73134440
Cl      11.21309994       0.62391598       9.64325996      -1.22867665       1.90321954       0.92842995
Cl       8.40304997       4.09021000      11.21650006      -0.05471574      -0.00439092       0.79365929
Cl       1.52291995       0.34765806       6.17277003      -0.21783517       0.51874054      -0.27368014
K        8.43700996       4.83849004       4.52101002      -0.26548795       0.36474508       0.57659413
K        4.29315006       1.55757002       7.20245000      -1.51841082      -1.59589215      -0.23397466
K        5.07398004       9.98895998       3.19954004       0.43795422      -1.21773346      -1.94615037
K       12.26719996      11.17020000       8.31584002       1.14710702      -1.53620383      -1.12456906
K        1.64486000      10.06500004       4.44909006      -0.33858817       0.45198084      -0.10148548
K        5.22249004       4.38466997       2.63827001       0.80520705       0.37280198       0.35746738
K        9.35279997       1.70910996       0.64082103       0.08829833      -0.87026470      -2.08281943
K        6.59104000       0.23564499       4.38295006       0.17130631       0.83682127      -0.30172219
K        5.23655995       2.75902995      11.56140006       0.15826681      -0.12181773      -0.63223272
K        0.27896995      11.81449994      12.09299996      -0.58969551      -0.06720450       0.03499537
K        7.41122996       9.06672997       6.55911996       0.35358827       0.15478082       0.01410293
K       11.20890005       1.53570998       5.47407005      -0.06137685      -0.06829746       0.42263928
K        1.63251000       5.89423006       5.61185999       0.48553609       0.48050396       0.21980931
K       10.29029998       5.35976996       9.28872994      -1.88220577      -4.23397011       0.84137310
K        5.48548005      10.17899994      10.93549997       0.42449694       0.15073744      -0.07383269
K       10.95389994       4.77527997       1.71778002      -0.75118982      -0.04415293       0.41633895
Li       2.09657002       8.88417002       8.56276001       0.52752375      -0.88575693      -0.37623594
Li      10.81679995       9.17338997       3.57249995      -1.77057080       4.38806053      -1.78223282
Li       2.16906005       5.53338996       1.64236997      -0.67819496      -1.58755127      -1.10381987
Li       8.57567004       8.53095004       1.02608999       0.66430489       1.59686617      -0.99276235
Li       7.35868000       5.70008004       0.30600698      -0.28274059      -0.63149203      -2.49703285
Li       3.65385996       0.02990864       0.62201998      -1.22753103       0.47874865      -0.14092120
Li       9.47146002       8.53444000      10.11710004       1.58282434       0.28465773      -0.04983001
Li       9.66484005      12.12780005       3.75386006      -0.52387657      -0.59210289       0.03937006
Li       2.70138006       6.21190999       9.78858005       0.68437665      -0.05735229       0.14663836
Li       6.35606995       4.87156005       9.05550995       2.36492837       2.89058690       0.76338915
Li       9.07538998       0.87478904       8.71195003      -0.09494762      -0.08283147       0.12658436
Li       6.84788994       1.54819996       7.76570004      -1.53120065      -1.10821656       1.68068799
Li       1.98605995       8.33987005       0.89096306      -0.24453726      -0.38543552      -0.08613214
Li       1.88605004       2.00513995       4.07791000       0.71490230      -0.65942829       0.10758465
Li      11.54080005       7.98042996       6.63528994      -1.84922974      -0.27959687       0.20586929
Li       0.59888205       2.65832996      10.64009999       0.42440968      -0.14695397       0.40481089
64
Lattice="12.40919302 0.0 0.0 0.0 12.40919302 0.0 0.0 0.0 12.40919302" Properties=species:S:1:pos:R:3:forces:R:3 energy=-535.01991746 stress="-0.03075631622648129 -0.005691456392271431 0.005937060200797558 -0.005691456392271431 -0.011098301466364776 0.0016324693145840716 0.005937060200797558 0.0016324693145840716 -0.01078136129671828" free_energy=-535.01991746 pbc="T T T" config_type=melt 
Cl       4.92431996       9.71865003       7.02331002      -0.23193013      -0.71948603      -0.58531806
Cl      10.81990002       0.49788003       0.82527599      -3.51523261      -2.79931721      -2.30793392
Cl      10.89470003       4.39551995       5.78189001       0.72525553       1.00715126       1.31911394
Cl       2.13948001       2.01859003       7.89414003      -0.16907984      -0.25615719       0.10567801
Cl       3.01439997      10.35380006      10.55159999       1.08670173      -0.39447858      -0.85014310
Cl      11.41619996       4.65479006       1.91507006      -1.34413789      -1.89738556      -0.17175227
Cl       1.86147996       4.79379995       3.88847002      -1.59072547      -0.34124228      -0.15669817
Cl       5.46164001       3.05400999       2.65636001      -2.12788103      -0.33175903      -0.08557625
Cl      11.45350001       6.99159994       8.37470005       0.80768195      -1.12306175      -0.17687342
Cl       6.59134998       7.01892002      12.05990005       3.67197434       1.07890629      -2.20361207
Cl      11.47910005       2.82261006       9.30679003      -2.34906625       2.03421417      -0.71487336
Cl       8.82211996      10.07429998       3.24018003       0.02257568      -0.01576926      -1.17870573
Cl       2.41005998       5.22439001      11.15270006       0.34882827       0.24805265       0.15702977
Cl       4.26997999       4.86213005       6.75036994       0.26151955       0.11958810      -0.42663442
Cl       0.74619903       9.49467005       0.31690001       0.01638407      -0.97507444       0.74384928
Cl      11.56660000      11.09999995      10.19740005       1.27829552       0.03386990      -0.70621581
Cl       4.20537996       6.64759006       2.85174995       0.89691145       0.12746403      -1.90483752
Cl       9.11529000       5.70843999       9.97004998       0.31390584      -1.38003759       0.85812775
Cl       4.15146996      12.17764207       5.08901006       1.03214983       1.10437875      -0.69214792
Cl      10.14720002       9.87476996       7.09584994       0.08415136       0.11669969      -0.81645090
Cl       1.61435994       7.72932001       6.47341003      -2.00805899      -0.12211526       3.79641106
Cl       0.30742398       1.78418000       3.80277002      -0.37495549       0.57897800      -0.61628427
Cl       7.30205003       2.73232003       5.38029005      -0.22700973       0.23637348      -0.06262923
Cl       4.76972996       0.10100698       0.96246197       0.42017227       0.24954792      -0.72372551
Cl       7.68566000       7.72139997       5.65950000      -0.71451359      -0.66355325      -0.00231943
Cl      10.22159996       1.05601004       5.81315001      -1.15679826      -0.16151524       0.20913631
Cl       8.27134004       4.33564001       1.64667001       0.43467569      -0.03542555      -0.86625554
Cl       8.59545004      10.16700001      10.40479998      -0.44798673      -0.14296370       0.22419774
Cl       1.14516004      11.16680000       4.62032998      -0.40234260      -0.50273999      -0.39498398
Cl       1.21769004       0.94403705      11.85940000       0.87007077       0.64333350       0.38708863
Cl       7.52206999       2.37106000      10.16170004      -0.93932355      -0.55221826       2.73979925
Cl      11.77850000       7.51976994       4.27920995      -0.47000576       0.11308750      -0.63119978
K        9.19566000       7.54232005       0.80312694      -0.12697525       0.13930561       0.13345660
K        0.36840797       6.66129006       1.32430995       1.85003223       2.04016740      -0.26966842
K        0.30544906       3.54849002      12.05860006      -0.11743607       0.58458700      -0.28980275
K        1.32392998       4.97214996       6.91754002      -0.33574361      -0.79173196       0.15618336
K        7.61948004      11.35070002       5.30959997      -0.68534768       0.42774835       1.12471845
K        4.76774002       1.81021002      10.58649997      -0.79336997      -0.19814365       0.24951847
K        2.85748002       1.53731002       2.60711996       0.28388476      -0.08068401       0.28551996
K        7.35630004       0.91144406       2.22301994       0.28116308      -0.17074446      -0.15421649
K        3.37994005       7.84172000       5.06158996       4.17785112       1.21308745      -2.38257235
K        8.69772003       2.83580997       8.07835003       1.24040839       0.26783245      -2.66813035
K        5.84745001       9.83464000       9.46729996       0.25520302       0.51605181       1.47854193
K       11.67199997      10.31810005       2.58065996      -0.14116138       0.33005059       0.49104458
K        3.64678002      10.25939998       2.04423003      -0.35929019      -0.56248038       0.43802289
K        2.34806999      11.27289997       7.10892998       0.12362623      -0.01632612       0.77565699
K        2.94441001       7.27414002       9.08937005      -0.05853398       0.38675006       0.14754423
K        7.42335002       7.20444006       8.47586997      -0.22044483       0.52256631      -0.49231567
Li       3.74572000       4.93118994       4.19362002       2.43393126       0.02701956       0.19819852
Li       0.35410005       1.62396999       9.93414001       2.53095452      -2.69834024       0.07958978
Li      12.15949995       4.76661004       3.92429003      -0.50939429       0.14648871       0.47832239
Li       6.97871994       4.15749996       3.31817999       0.62380586       0.83390322       0.91731312
Li       4.98312998       6.66136004       0.31805295      -4.44024074      -1.27218971       2.35058238
Li       9.24434002       8.96640003       5.08478994       1.08773824      -0.36954441       0.19107070
Li      12.33130002       1.16545999       5.92768003       0.69449497      -0.19861722      -0.13649884
Li      10.75029996       4.77215000       8.46141996       0.06731735       0.82728104      -0.07005938
Li      11.82240001       1.68450998       1.70548003       2.38591354       2.82802429       2.83629868
Li       4.78487004       2.77974995       5.92626998       0.17496849      -0.52676764      -0.05055346
Li      10.96070006       8.91876995       8.86054006      -0.56866444       1.59251390       1.10686852
Li       1.55618999      11.22279996      11.80079994      -0.57416767       0.01368961      -0.46766850
Li      12.14729998       8.37171006       6.54134999      -1.97441136       0.43949567      -0.57284097
Li       8.49887004       3.98788999      11.64949999      -0.28791432       0.26791639      -0.00452447
Li       9.99966998      12.35190002      10.84649999      -0.49813287      -0.43510635       0.36862538
Li       9.55214000       3.20275998       4.89695000      -0.72227032      -1.36114833      -0.51348636
64
Lattice="12.40919302 0.0 0.0 0.0 12.40919302 0.0 0.0 0.0 12.40919302" Properties=species:S:1:pos:R:3:forces:R:3 energy=-537.97956955 stress="-0.01055825387812325 -0.0061182472723296894 -0.000939181548691339 -0.0061182472723296894 -0.01519155602073806 0.0049336919147235135 -0.000939181548691339 0.0049336919147235135 -0.013013016691998407" free_energy=-537.97956955 pbc="T T T" config_type=melt 
Cl       7.57797005       8.59432006       4.53035998      -2.60032537       2.42699011      -1.91452163
Cl       6.61345001       4.96211998       7.06068998       0.26557693       0.25693202      -0.15149552
Cl       8.85079004      11.75169999       8.51303997      -0.85367653      -0.44695792       0.27095542
Cl       1.55176996       2.43414995       5.66112002      -2.07651688       1.08092788       1.56691758
Cl       5.01956995       8.15495000       9.90819003       0.00023318       0.15641488      -0.74820068
Cl       6.51135995       5.10856000       3.56098000       0.35543431      -0.22274686       0.30198839
Cl       2.52049001       4.88067001       3.16910997       0.01679931       0.13185279       0.57045854
Cl       3.37683999       4.26533994       8.29119003      -0.78119880       0.42807635      -0.26266915
Cl       0.23196194      10.51099996       8.89930005      -2.25889890      -0.54855305       1.92392342
Cl       1.50296001       2.83529002      11.60889996       1.09162651       1.24545826      -3.26384562
Cl      11.94849999       7.56888999       9.56807006       0.69969684      -1.48789060       1.82349527
Cl      11.13750004       3.26170005       9.25435002       1.20806806       0.88760996      -0.16609299
Cl       4.67833998       6.20145996       0.79878695       0.76797725       2.00397122      -0.56418405
Cl       3.09182998       9.21192994       1.39184996      -0.80359275       0.49301800      -0.33780406
Cl       9.40911003       7.98184002       6.88527003      -0.26986872      -0.47478510       0.91097243
Cl      11.43700000       9.76643994       4.97776996       1.14848367       0.21947289      -0.24758095
Cl       9.65931994       2.69737003       4.98886005      -1.07318743      -1.35673036       0.10303215
Cl       6.63292996       9.74670002       0.76726797       0.19270623      -0.16412032       0.20705973
Cl       0.44792397       6.18017001       6.68649002      -0.71942078      -0.81340914       0.01575283
Cl      10.71720005       5.71501997       3.85825004       0.84313544       1.36500864       0.32981363
Cl      11.35760003       7.81001005       0.89162099      -0.29159144      -0.58950505       0.23739612
Cl      11.03289997       2.88117003       1.81692997       0.70342249      -0.07460930      -0.39287207
Cl       1.47474995       0.18726006       1.07560006      -0.06566496      -0.63339923       0.37010313
Cl       8.70226999       3.53850000      11.82569998       1.05848714      -0.97720474       0.63672176
Cl       6.40020001       1.47590003       1.39468000      -0.04655907      -0.64516320       0.52540256
Cl       4.96396001       1.98448001      10.62699998      -1.14538239      -0.69793526       0.61204772
Cl       2.98892005       7.49347002       6.03386996       1.47826602       0.59151264      -0.24055620
Cl       3.32907005      11.62450006      10.11459996      -0.11521371      -0.30676895      -0.20199332
Cl       2.95956995      11.95830003       5.96531004       0.01926326      -0.86967333       0.55192099
Cl       5.94599004       1.43458995       6.85474999      -0.29599873      -0.04082014       0.02033449
Cl       9.35382000      12.06919999       1.99594002      -0.34551426      -0.74970168       0.06790586
Cl       8.10925997       6.70736005      10.00600003      -0.43050844      -1.44186773      -0.68448737
K        1.95156003      11.14840002       3.36732995      -0.50322945      -0.58862116       0.40544411
K       10.65880003       0.82084603       9.92860005       0.23292198      -1.06311394       0.77238185
K        3.44344000       1.72080997       4.20976996       2.07577238      -0.05259559      -1.42929991
K        5.30768002      10.85500004       7.70351001      -0.22266942      -0.01200792       0.29552331
K        7.49150006       5.84540001       0.19568900      -0.49822460       0.36504463       1.09966170
K       11.94849999       5.12856994      11.77689996      -0.46649646      -0.03984971      -0.07801888
K        8.91367995      10.66840003       5.78366005       0.28572269       0.98439539       0.43022597
K        9.51462999       8.53061002      11.03600003       0.68898803       1.49135394       0.42446599
K        4.76343006       7.97741999       3.18890003       0.67209340      -0.88805752       0.49379788
K        6.95718999      11.98199997      11.21669997      -0.35391257       0.36921220       0.05773215
K       10.34460001       4.41698996       6.92225998      -0.14437686       1.47208369      -0.11286034
K        0.42176800       9.37785996      11.67780002       1.26879568       0.80725142      -0.18943554
K        6.92838999       3.43455998       9.83716999       0.75085376       1.11153752      -1.43264925
K        0.89143498       7.58947995       3.86150001      -0.37829843      -0.25650259      -0.02291513
K        9.60466998       8.91459004       2.86002005       0.80402892       0.05862400      -0.73070936
K        3.53896001       3.96283000       0.74027302       0.38949248      -1.57531026      -0.23604779
Li       8.97537995       1.81513994       1.41919994      -0.34348023       0.21822230      -0.15608477
Li       3.55115006       5.14810996       6.06734004      -0.04625993       0.27848844       0.11788969
Li       9.68471002       4.05411997       3.35053994      -0.52284488      -0.54139126      -0.56992068
Li       7.87554002       7.10154998       5.62427005       0.35603492      -3.03875326       1.24017578
Li       6.71640995       6.79984999       8.37095000      -0.45167783       0.18643669       0.26271092
Li       0.67213600       2.06351999       0.65466795      -2.51389265      -0.70587499       2.93927718
Li       4.71526005       8.77020002      12.04330002      -0.11502093      -0.32693198       0.32117438
Li       0.94758397       2.88503004       7.98881994       0.05957284       0.63579405      -0.07900347
Li       4.27512000       2.35582002       8.51274997       0.42979842      -0.71789096      -0.10447966
Li       1.33844998      11.20309999       7.58038997       2.23922670       1.21836577      -2.41946429
Li       1.93444999       7.17980000       8.08933006      -0.12125771      -0.19582150      -0.09471514
Li       0.83940596       4.19647004       4.29283003      -0.94232421      -0.02844510       0.42962294
Li       6.91588004      11.39069994       2.42160004       0.48833619       0.63178108      -0.80371224
Li       2.54609998       0.63931902      11.68649998       0.77920996       0.13990849      -0.83867197
Li      11.28780006       8.39587001       7.88861000      -0.03296664       0.70558957      -1.61108456
Li       7.05816000       2.94994997       5.60019994       0.46002695       0.61167488      -0.25090925
64
Lattice="12.40919302 0.0 0.0 0.0 12.40919302 0.0 0.0 0.0 12.40919302" Properties=species:S:1:pos:R:3:forces:R:3 energy=-539.16868188 stress="-0.008952378004890684 0.0005851142675717666 -0.001668726209888782 0.0005851142675717666 -0.008644160899741921 -0.002001464512944165 -0.001668726209888782 -0.002001464512944165 -0.012800015568670567" free_energy=-539.16868188 pbc="T T T" config_type=melt 
Cl       6.24516005       3.69698004       0.90403900      -0.18851617      -0.41430946       0.13153653
Cl       1.39888994      10.78609998       0.04079907       0.60426673      -0.71064648       1.01108020
Cl       5.19736999       3.44104999       9.41312999       0.39570530      -0.49365277       1.02462642
Cl       9.15724995      12.27209998      10.15290006      -0.19145262       1.02185932       0.62449335
Cl       1.09115995       7.02736001       1.73262005       0.68062189      -0.08429346      -0.96306648
Cl       7.82376005       4.16540003       4.79874005       0.64621312       0.47106827      -1.70724395
Cl       2.40469003       9.36791995       4.64552995       0.13888986       0.15064718      -0.11273963
Cl       0.66500903       1.44452996       4.39378998       0.95426202       0.64575366      -0.19182712
Cl       6.74663006      11.54750002       7.24469995      -0.42392106      -0.12022823      -0.93755499
Cl       1.89242005       6.74913994       8.23318996      -0.05074202      -0.51270305      -0.92333450
Cl       3.93365996       7.79312002      11.51650000      -0.05303336       0.50622942      -0.60369915
Cl      11.64370006      11.35369995       3.28435998       0.30391296      -1.01376829      -1.10397142
Cl       5.71482998      10.88069998      10.77559994      -0.38064666      -0.29924868       0.54930045
Cl       9.16863005       5.60842996       1.69646996       0.17459299       0.00657498      -0.15987060
Cl       4.86278997       4.07476005       6.32984994      -0.36781809      -0.14755205       1.54470640
Cl       1.55986001       3.12293995       8.54286001      -1.12369778       1.34375286      -0.00104285
Cl       8.36109002       8.79030999       5.82128001       1.04683463       0.63824455       0.04338183
Cl       3.32028000       0.78874903      11.91559999      -0.50394880      -1.38305470       0.47472615
Cl      11.36990002       8.02825995       3.48006995      -0.05045578       0.09388963       0.78853664
Cl       0.05540692       6.09122997      11.02240006      -1.32649408       0.59886375       0.49261058
Cl      10.36079996       0.28476405       6.64262998      -0.09678323      -0.09265565      -0.29041806
Cl       3.72267005       5.86111005       4.54979997      -0.79871621       1.55787230      -1.32874152
Cl       5.47858004       1.01804995       4.57073999      -0.67598090      -0.71849771      -0.40762072
Cl       8.30303001       0.69400497       2.89355999       1.46979528       0.28163130       0.67718147
Cl       0.49498298       5.07680003       5.73425000      -0.35286062       0.01845068      -0.48026009
Cl       0.20890306      10.79889994       9.23146995       0.51590173       0.58762117       0.65967488
Cl      11.60699999       2.82070004       0.81874304       0.33270750      -0.52463219      -0.50273511
Cl       2.88021999       3.93529996       0.71956604      -0.94563648      -0.18231228      -0.94708030
Cl       5.61411995       9.91798002       3.01318002       0.38517995      -0.17846122      -0.04731871
Cl       9.48125001       8.78776995      11.77769998       0.55832357       0.31963010       0.57107267
Cl       8.78368000       7.22455003       8.85930001      -0.81332293      -0.22002215       0.09102292
Cl      10.37649995       4.31498999       9.48912997      -0.09255672      -0.63579684      -0.67645392
K        9.95988996       9.97616002       8.98003004      -0.74280787      -0.81384924      -0.71381491
K        3.37663002       1.31533004       8.59733003       1.32040460      -1.22359996      -0.05977825
K       11.70390003       1.32363005       9.05362996      -0.25448286       0.01465750      -0.17741030
K        8.60555001       8.73395997       2.99886999       0.37946914      -0.16770187      -0.62697260
K        0.16746603      10.36629996       6.55952996      -0.17731811      -0.02691460      -1.48454721
K       11.24329995      11.61470002      12.30439999      -1.13317334       0.22986187       0.24865890
K        7.86611002       3.81792004       7.33184003      -0.04474496      -0.46436642       2.49236762
K        4.58578998       6.14371999       8.89262999      -0.05164788      -0.03410357       0.08939787
K        1.26391006       8.33319999      10.23910002       0.44842634       1.49106423       0.79655806
K        6.07064994       7.55920996       5.64713995      -0.95095514      -0.84907571      -0.15460561
K        6.87914994       7.52640005      11.25870000       0.47164157       0.07120345       0.03030107
K        6.31400998       0.04231498       1.28648003      -0.82727997      -0.08718178      -0.80324603
K        4.11648001       6.27364002       1.38926004       0.60025179       0.19140528       0.78876151
K       11.54439996       3.88188000       3.40210002      -0.20554047       0.49832180       0.25276885
K       10.42780005       6.01196997       6.93202998       0.11375195       0.37819378      -0.65170414
K        3.36067999       3.26010001       3.34327002       0.10940060      -0.63608291       0.62764418
Li       0.71358196       9.42332005       2.74388006      -0.65385861       0.04824098       0.14039769
Li      10.96369998       0.59825402       4.43237004      -0.16776510       0.16642098       0.36854026
Li       0.22915498       5.13838996       9.26696000       0.62434934      -1.11080127      -1.71404718
Li       3.56104006      10.63280004      11.81860006       0.46787989       0.04233381      -0.31774641
Li       7.67341002      11.77510001       4.69497003      -0.23358585       0.26502493       0.60507476
Li       4.42311005       2.45122004      11.73989997       1.01354801       2.14171071      -0.11142265
Li       7.07023997      11.75279994       9.31410004       0.33430721       0.25709927       0.33717284
Li       7.92480997       3.62592997       2.51299002       0.01734777       0.22285622      -0.39582506
Li       6.09653999       2.91757004       5.24634001       0.42581709      -0.62626077      -0.68940527
Li      10.61820000       3.45531001      11.46240001      -0.42790677       0.30658930       0.25199260
Li       0.98769805       5.40289005       0.20600005       1.27437730      -1.28278251       1.64836042
Li       1.91179006       0.05547865       1.83810005      -0.51072936       0.07566617      -0.22179716
Li       2.49500997       4.45169004       6.37087994       0.06645674       0.19275972       0.44335168
Li       1.83298002       7.18355998       3.76411998      -0.00279122      -0.33608351       1.08505294
Li       4.58561005      10.29280006       4.90793995      -0.35126408       0.56878651      -0.04170612
Li      10.97879998       7.16481999      12.33960003      -0.70220179      -0.01364637       0.65865630
64
Lattice="12.40919302 0.0 0.0 0.0 12.40919302 0.0 0.0 0.0 12.40919302" Properties=species:S:1:pos:R:3:forces:R:3 energy=-532.9515197 stress="-0.028187600208178 -0.001580449269529124 6.746381678321393e-05 -0.001580449269529124 -0.027895669934119665 -0.0018073092019993107 6.746381678321393e-05 -0.0018073092019993107 -0.013960415749189792" free_energy=-532.9515197 pbc="T T T" config_type=melt 
Cl       5.17444003       1.69439006       5.97124995      -0.48219139      -3.17196719      -0.19554915
Cl      11.44989998      11.88890000      10.84380000      -7.22877277      -1.50700253       0.84183939
Cl       6.23693003       1.75372995       9.39399998       0.68978925      -0.28545653      -0.12640722
Cl      12.24420002      10.14879994       6.30671002      -7.27167697       0.86125338      -0.72901533
Cl       2.87080997       5.68022000       8.39636005      -0.08104753      -0.67046827      -1.34494300
Cl       6.09047996       5.05958004       1.95180003       0.30608765       0.82002498       0.00849453
Cl       8.31654995      10.54300004      11.59960002      -0.38106847       1.32682697       1.72838357
Cl      10.88479997       9.99630002       2.25702994       0.08164904      -0.16357913      -0.31586803
Cl       9.85727002       6.90883000       0.52747000      -2.11153157      -1.61056970       1.70865003
Cl       5.79577999       5.18136002       5.34317006       1.13085446       1.89508895       0.13593774
Cl       6.96779998      10.54179995       7.46899996      -0.84905117      -0.19574837      -0.81410733
Cl       7.47999004      12.22640002       4.24466002      -0.05176457       0.52128739       0.37156056
Cl       8.89638005       2.74021004      11.80499996       0.35587446       1.09568320      -1.30065244
Cl      12.29869995       5.54462003      10.60019997      -0.47844478      -1.23517902       0.64575613
Cl       3.25468004       9.50014003       4.66304999      -1.82998747      -1.44544344      -1.62214811
Cl      12.07449996       5.68001996       3.04251995      -1.68945441       1.00038979      -0.40361505
Cl       9.73223003       1.81907998       3.41479003       0.27424509       0.49357631      -1.14348385
Cl       9.07284001       2.43460996       7.37256006       0.31505259      -0.08870143       0.00340559
Cl       1.52853995       2.02607997      10.01939998      -1.58419725      -1.44162344      -0.71689447
Cl      11.31819997       8.42031997      11.26249995       3.21229565      -2.15024731      -1.66005407
Cl       8.40851994       6.89337001       8.28291000      -0.43735224      -0.25274183       0.60735339
Cl       4.14673002       0.99979801      12.14840005       0.43811341      -0.71894764       0.00497118
Cl       2.52655004       6.93839999       1.91343006       0.33027010       0.12389622      -0.08691696
Cl       3.39598005       3.72708003       1.34560996      -1.22747442      -1.59434985      -2.73824683
Cl       2.53070998       4.07080996       4.85248004       0.24497088      -0.41682876      -0.01633673
Cl      11.79669995       7.08904003       7.43735999      -0.29430510      -0.24511355      -0.43514998
Cl       5.21486000       9.76294005       1.09709005      -0.18022050      -0.22421101       0.02735162
Cl       0.51851602       2.01068003       2.10637005       0.18232381      -0.11899473      -0.00098346
Cl       2.31783002      11.94959994       6.41830999       0.50908630       0.71452937       0.10775897
Cl       2.72955005      10.62940004      10.41120002       0.04855562      -0.06201738       0.07866353
Cl       5.34992004       6.04852001      10.32490004       0.66463167       0.13727826       0.17898848
Cl       8.64774995       8.03648005       4.23087006      -0.74284025      -0.87094800       2.57098346
K        9.16786006       0.61901597       0.75971797       0.37554674      -1.85779375       1.13107117
K        4.52075998       9.00302999       6.77091001       1.29791982      -0.59880322       2.13722683
K       11.34580001       0.01120699       4.13108997       1.26762691      -1.61159435       0.86362445
K        6.27868994       3.45305005      11.66290006      -1.13023556       0.55904631       0.32581110
K        8.44706997      11.75130005       9.29290005       0.73735591       1.53176156      -0.85951453
K        4.72377996      11.54719997       4.00001005       0.12202987       1.44972086      -0.24944296
K        1.14890998       6.49635997       5.33863996       0.52346574       0.91319623       0.22015517
K        7.61924997      10.01090005       2.81595005       0.18719903       0.03464355      -1.15814684
K        3.65754003       0.91434297       8.59890997       0.29980141      -0.50953124      -0.04396058
K        1.74127000       9.74900999       1.89331004      -0.04225164       0.10697388      -0.03123271
K        0.86888003       3.06536006       7.05995995      -0.11092730      -0.10540047       0.59851855
K        7.95676005       8.08506998      11.15590002      -1.04054517      -2.40401063      -0.74655726
K       10.98130006       3.96911005       0.74328696       0.46470804       0.10146467       0.05531854
K        8.22643005       3.82368994       3.67356005      -1.36634264       1.57879376       0.60338235
K        2.59404997       4.03028005      11.14189996       0.76183753       1.95406742      -0.15517826
K        1.66004997       7.52242998       9.96506000       0.46078819       1.19942878       0.24752061
Li       4.99426004       3.50582002       5.92737005      -1.42007388       2.16461503       0.41165154
Li       1.00246003       4.18757004       3.26493004       0.86691421      -1.58368199      -0.62322212
Li       6.50679995       5.61677006       7.66454998      -0.16121545       0.04094364       0.36002613
Li      10.42809998       9.96270994      11.48020000      -1.48571630       4.01606620       0.90896634
Li       6.77877000       0.41924595       6.32114998       1.08639124      -0.58951545       0.46743335
Li       2.56746998       1.74791996       1.03999002      -0.35556859      -0.07638449       0.18600534
Li       0.66789106      12.30860001      10.66819999       7.47579612       1.81149333      -1.07987230
Li      11.07329996       7.17498994       9.42711999      -0.39356841      -0.51411981       0.26802708
Li       5.13162000       7.35425004       1.71947003      -0.52488824      -0.42809175      -0.17097148
Li       9.25763995       2.74113006       9.55521997      -0.28577830       0.08976618      -0.26342071
Li       1.49812005       9.83197996       6.41374006       6.27392943      -0.37844524       0.13371990
Li       9.76096997       7.54931995       2.71074999       1.43856295      -0.20061298      -1.48813140
Li       9.44392005       7.31498996       6.49999996       0.66874523       0.46478791      -0.65186483
Li      11.88129999       6.95932003       0.93409195       1.20103612       0.16982142      -0.14697936
Li       3.80803996       4.46616995       2.95737998       1.47551777       1.97305005       3.18053817
Li       4.82529001      11.15670004      11.51499997      -0.53047989       0.17864886       0.19977252
64
Lattice="12.40919302 0.0 0.0 0.0 12.40919302 0.0 0.0 0.0 12.40919302" Properties=species:S:1:pos:R:3:forces:R:3 energy=-535.84251694 stress="-0.014707437372437784 0.002044651174827579 -2.331292287946985e-05 0.002044651174827579 -0.012182302891334264 -0.003360607476166713 -2.331292287946985e-05 -0.003360607476166713 -0.012857378301846708" free_energy=-535.84251694 pbc="T T T" config_type=melt 
Cl       7.66553999      10.65520000       7.64372003       0.39835202      -1.28877692      -0.11332016
Cl      11.33449995       3.02898003       7.03077005      -0.01303102      -0.58829864       0.97370111
Cl       7.80786003       2.97512003       0.82496601      -1.44828995      -0.32194068      -0.27245535
Cl      11.36530006      11.27969996       7.22031005       0.52104776       0.39433947       0.03295927
Cl       4.54624995       3.84631996      10.20449997       0.58828517       1.67485486      -0.21478423
Cl       5.95030001       8.71801998      10.10989997      -2.48902006       1.81010473       1.30323493
Cl       8.94464995       2.84330003       3.85989996      -0.35283251      -0.99738349      -0.79809690
Cl      10.30570004       8.10570995       1.52802000       0.80143809       0.50507882      -1.20728081
Cl       8.89228998       5.97602004      10.51179998       0.28646665       0.43127288       0.90473751
Cl       4.44428001       4.85378003       6.33078001       0.03428061      -0.67649833      -0.84068522
Cl       2.29783000      11.34479995       8.74222002      -0.39516679       0.43593351       2.47055241
Cl       9.03408002      10.15449998       3.67008001      -0.30492689       0.47277221       0.06542233
Cl       7.57531001       6.00873006       2.05542994      -1.21094925      -0.46612812      -0.34010556
Cl       7.56383995       6.70299996       7.78121005      -0.77358038      -0.23767771      -1.27245596
Cl       2.56080996       1.67868002       6.67450001      -0.75430711      -0.22020777       0.05271684
Cl       0.52924699       7.48978002      11.27559996      -0.20813903      -0.32541423      -0.82210865
Cl      11.58489996       4.66844997       0.61875202      -0.22316682       0.10561678       1.06242381
Cl       6.47242996       0.62697200       9.25590998       0.43292803       1.21652560      -0.67273120
Cl       4.17223005      10.36330004       3.82207997       0.24755740      -0.29678483       0.21681159
Cl       2.93336000       8.74218999      12.28340004       1.73783960       1.83826646       0.01051176
Cl      10.71329996      10.27379997      11.14140000       1.01785387      -0.91388003       0.13681707
Cl       5.54821994       2.01949999       4.60804996      -0.15491325       0.24078086      -0.44167077
Cl      12.05900001       6.98525996       7.14370997       1.38725730      -1.08589096      -0.45208521
Cl      10.10039999       1.30409004      11.49210005      -0.05521989       0.88083339       0.21948082
Cl       3.02035005       5.62005006       1.84282994      -0.04533955      -0.12252194       0.18404781
Cl      12.32769999       0.79711804       3.84165994       1.28886131       1.53351028      -1.40299197
Cl       3.21293006       8.76675994       7.41766996       0.05871215      -2.23070875      -2.00875631
Cl       0.65685197       8.42378002       3.97024995       0.41717684       0.90039835      -0.95406557
Cl       1.93473999      11.71729997       1.75548994       0.88284917       2.36851405       0.02062440
Cl       5.55490998       0.20344103       0.17936905      -0.57923891      -0.35331799      -0.03100609
Cl       1.64730995       1.86436994      11.16319997      -1.12206346      -0.13958892       0.36074351
Cl       9.46591001       6.29316998       4.49525003       1.31232584       0.27023025       1.53901717
K       11.50469997       4.04186998       4.50131998       0.28528595       0.33491926      -0.38483267
K        1.87896998       4.79596994      10.88770000       0.56519582       0.13656923       0.46862726
K        2.14414996      11.03940003       6.17229997      -0.33646165      -0.08665218      -1.95179096
K        7.67771005       0.25894598       2.03697995       0.47409278       0.04234072       0.42363178
K        8.72937005      11.79879995      10.17540004      -0.48431610      -0.64980774      -0.87492563
K        2.92196997       2.54211998       3.64627000      -0.78590047      -0.13131443      -0.23101120
K       10.28020002       8.56214997       8.08826994      -1.33714079       0.75760330       0.32796236
K        6.16869001       8.77676002       5.86649998       0.06674162       0.02496085       0.00016905
K        7.11864005       0.29396299       6.00954000       0.88372306      -0.28998023       0.20079137
K        4.00328000       1.25889005      10.01599998      -0.35492761      -0.94018103      -0.14999540
K        2.50870997       6.62571997       4.89645996       0.19614487      -0.07739434       0.44538409
K        7.32395002       9.14800994       1.02721997      -0.14086208      -0.06878302      -0.11867158
K       11.93929994      12.33659999       1.10420003      -1.73513792       0.58509140      -1.00082989
K        5.72635006       5.45928003       0.14959394      -0.65656587      -0.15947745      -0.88873010
K       11.49470002       4.45714003      10.33100003      -0.85677646      -0.51007422      -1.36889557
K        8.03425000       4.44175002       5.82423005      -0.57942225       0.15892603       1.42622738
Li       4.59617002       2.06427000       6.69112002       0.38328659       0.78498453       0.26435347
Li       3.22692006      11.75000006       0.16730694       1.07371737      -0.12229175      -0.73102931
Li       9.36991001       4.29469004       1.37344005       0.68952355       0.55534700       0.22892949
Li       6.42522998       3.23570999       2.99724004       1.09380373       0.35775855      -0.40899762
Li       0.38949702       9.92394003      10.01780006       0.10709362      -0.10136523       0.09598573
Li       1.66431998       7.70448996       1.03638999      -0.80208944      -1.63326752       0.37411613
Li       1.84121004       9.92363004       2.33549004       0.60882955      -2.52659037       1.42904272
Li      11.37460001      12.25489997       5.17770005      -1.51121017      -1.14601269       2.02879514
Li       3.97232006       9.40723997       9.07859006       0.75338153       0.91147774       1.93373018
Li       7.86095003       2.18756998      11.09830002      -0.03515242      -0.14771090      -0.20053241
Li       0.63631798       0.78457396       8.27416995      -0.12619304       0.15046369      -0.14434696
Li       4.82252003       5.95496003       8.03107994       0.54925584       0.41527263       0.95898357
Li       9.05254006       7.12739002       2.78635003      -0.04709667       0.64959576      -0.10711457
Li      10.93240003       7.31993006      11.85330001      -1.02946633      -0.18406988       0.31613841
Li      10.99060001       8.74343004       3.58156995      -0.69843692       0.00100276       0.27426067
Li       7.36515003       7.59758998       9.66059995       2.50403337      -1.90535366      -0.34462729
64
Lattice="12.40919302 0.0 0.0 0.0 12.40919302 0.0 0.0 0.0 12.40919302" Properties=species:S:1:pos:R:3:forces:R:3 energy=-537.92990244 stress="-0.009855004401522222 -0.004358795490670039 -0.0012756284815712124 -0.004358795490670039 -0.017159614441429254 0.000139809904283931 -0.0012756284815712124 0.000139809904283931 -0.013917624792743449" free_energy=-537.92990244 pbc="T T T" config_type=melt 
Cl       6.83257005       8.90441003       2.39424000      -0.41898516       1.15284026       1.10448326
Cl       4.53317997      10.46789998       0.19499694       0.53214712      -0.13184988      -0.05542163
Cl       9.84987005       2.81240002       6.45793999      -0.77381585       0.23944993       0.45929459
Cl       4.79577996       6.09623001       2.60849998       0.68248423       0.43796312      -0.24484554
Cl       4.90989998       2.40291006       4.12027995      -0.09008465       0.91704137      -0.21810889
Cl       9.86371002       1.76335005      10.30410000       1.07663122       1.33387702       0.81611090
Cl      10.34390000       5.12451996      10.45370002      -0.29684329       0.77222323      -0.73017134
Cl       0.90287104       1.37064004       6.71290994       0.41724332      -0.04448854      -0.02508833
Cl       0.84695497       1.30320998       2.34432005       0.10029300      -0.10810766       0.17035550
Cl       8.55785999       7.15111999       5.46273996      -1.10066331       0.58028359      -2.26577828
Cl       1.34324997       7.31546995       0.33949703      -0.31232130      -0.34709472       0.05290942
Cl      10.36159998      11.24170003       4.28511002      -1.39004495      -1.86133217      -3.81014521
Cl       3.67466000      10.34159996       8.75168004      -0.20158784      -0.15951654      -0.46938123
Cl       8.94978003       1.38103994       1.95158001       0.26997872      -2.44828726       1.62512113
Cl       7.38555000       4.23267994       0.20388106      -0.99617653      -0.25850685       0.09556571
Cl       0.79269404       4.73253998       4.32209004       1.17271465       0.59231987      -0.13043082
Cl       6.83619999       9.12010998       7.56180000      -0.48555980      -1.37250292      -0.76085245
Cl       0.10736806      10.79829996      11.39229998       0.86528507       0.48555128       0.17105067
Cl       7.87849005      10.95459995      10.81840000       1.18947341       1.29772107       2.07919991
Cl      10.32229994       9.09590002       1.46917995      -0.54894734      -0.50815756       0.40010841
Cl       0.19226804       7.08186999       8.34602005      -0.87640109       0.16781949       0.69032353
Cl       3.97116004      11.76309995       4.49204002      -0.20029398      -0.16590397      -0.59176145
Cl       3.59478996       1.71587000       0.41798195      -0.21411166       0.62626188       0.01013144
Cl       7.60477006       5.11930996       8.91375999      -0.42749957      -0.67323490      -0.29863653
Cl      10.84790000       4.15462996       1.38214001       0.02307401      -0.62042557       1.80152170
Cl       5.50248003       2.17530994       7.81922002      -0.10814654      -0.15483919       0.10037722
Cl       0.91142904       4.03124002      11.09290003       0.11817724      -0.10169739       0.16977767
Cl       7.84061000       7.61625005      11.62809996      -0.04344083       1.43440534       0.46387422
Cl       8.39995003      11.60650003       7.38302001       0.57854182       1.09534284       0.41061418
Cl       2.23930006       8.49735004       3.69326001       0.50156200      -0.09412636       0.08015472
Cl       4.89876000       6.76821995       6.45349005      -1.65327722       1.90507164       0.18410537
Cl       3.16635997       6.21893000       9.53874006      -0.27893183      -0.06251138      -1.33016088
K        6.74985000       0.43726298       5.07945994       0.42231181      -0.02153601       0.85249969
K       11.02650005      12.27059996       6.27483006       0.66787554       1.41404864       3.56912121
K        6.15362997       4.67705997       6.15931996       1.36951466      -2.44718136      -0.64256952
K        9.82784001       6.18691999       7.35324006       2.23043425      -1.02998494       1.79694301
K        2.83707000       3.38884005       6.95590006       0.31406476       0.56765771       0.11880665
K        0.65152396       0.60994596       9.78252995       0.12828596       0.54330477      -0.26357195
K       10.96960006      11.82769997       1.13346996       0.10287784       0.72528863       0.31212673
K       12.18419996       7.15185995       3.05245996      -0.48429615       0.00602235      -0.20083597
K        1.96140995       7.85024003       6.41639997       0.58010530      -0.33125111       0.35389934
K        2.32647005      10.54370005       1.84029995      -0.76554847       1.05729563      -0.53402145
K        3.49712006       5.24697995      11.87620006       0.84028365      -0.85769550       1.33582308
K        4.94718998       0.62201800      10.54599997       0.14778381      -0.41245747      -0.48948371
K        7.81782002       6.35411996       2.22325001       0.28255836      -0.58872274       0.11428760
K       11.38150001       2.67303002       4.29698004       0.20103221      -0.47553236      -1.05488199
K       10.72950004       8.90861005      10.93730004      -0.89115720      -0.95400043      -0.57783409
K        6.26014006       0.79976306       1.64434006      -1.11882202      -0.08676663      -0.29346368
Li       7.97536999       5.66969005      11.10289998       0.57145729      -1.05539941      -0.69696976
Li       0.65049697       6.52829006      10.66370005       0.47759551      -0.43795709      -0.84147949
Li       4.42602001       8.51645002       2.67539000       0.34214730      -0.40278832      -0.09224208
Li       9.03582004       0.26662206       9.40518004      -1.39039465      -2.14683418      -1.07800625
Li       2.93091005       5.32797004       2.45090000      -1.26819783      -0.30855035       0.76967074
Li       2.87731003       1.48193996       3.99350999      -0.26364603      -0.34879447      -0.28403456
Li       4.02408997      10.32729998       6.03077995       0.34747586      -0.39086576       1.17901484
Li       0.92439802       2.94437005       0.61333504      -0.03009003      -0.51813309       0.33103077
Li      11.24710001       5.33400997      12.26859997       0.81021906       0.55014983      -0.64161383
Li       7.17416994       6.88577000       7.79966996      -1.00075612       1.19375839      -0.60288630
Li       9.25787994       3.09410000       8.49429998      -0.27226984       0.27838729       0.80855136
Li       8.75411001       9.79412001       3.54244005       0.27611112      -0.45120825       0.26552184
Li       7.03566002      10.08649996       9.28824995      -0.70755936      -0.15739871      -0.67784283
Li       3.73331999       8.19027996       9.77874999       0.31594719       1.32774684      -0.15758738
Li       8.86466997       3.07428996       1.11638995       0.55182315       2.01781572      -1.26420376
Li       8.07215003       9.48863000       0.78437305       0.10235999      -0.18400672      -1.36806524
64
Lattice="12.40919302 0.0 0.0 0.0 12.40919302 0.0 0.0 0.0 12.40919302" Properties=species:S:1:pos:R:3:forces:R:3 energy=-537.50251274 stress="-0.01702184334482582 -0.003803121497901713 0.003628453270711963 -0.003803121497901713 -0.015176326114319993 -0.002725431717896155 0.003628453270711963 -0.002725431717896155 -0.014800739857356932" free_energy=-537.50251274 pbc="T T T" config_type=melt 
Cl       3.32777999       9.83127003      11.57550000       1.30828500       1.22892918       0.21326479
Cl       5.05193995       5.08322998       2.40609004      -0.13595538      -0.35767356      -0.92113754
Cl       8.67037005       7.33083005       8.87566004       0.21339881      -0.12470854      -0.49031114
Cl       6.81180997       3.06647006       7.90926001       2.84068032       0.02469938      -0.75197498
Cl       7.13818999       2.41337994       4.05107996       0.22023175       0.20613707       0.15559109
Cl       9.02665002      11.24129996       9.03420002       0.03795661       1.44062901       0.12130779
Cl       2.49210994       8.11914004       5.61590998      -2.08831362      -0.14773329       0.66358113
Cl       7.27253998      10.35630001       3.06480996       2.63904147       2.75291750      -3.68365013
Cl       5.93567999       6.40853006       5.06288995       0.58375744       2.54155942       0.02921758
Cl       7.76160005       1.13882006       0.50837399      -0.11018489       0.06043995       0.35718829
Cl       4.24618003      12.02630005       2.18638999      -0.61238164       2.48096535       1.06803675
Cl       0.53885605       5.07439004       9.84000995       0.26070490      -0.24527715      -0.56284034
Cl       5.48709002      10.73729996       6.12624003      -0.32145411      -0.00923985      -0.00863442
Cl       7.62004999       5.32558996      11.30200002      -0.44640296      -0.52005945       1.40109090
Cl      11.40020005       9.02214995       0.14576595      -0.35012773      -0.28280105      -0.00443355
Cl       4.00357000       8.86548004       2.90985996       0.92120328      -0.15262701      -0.08704854
Cl      11.42150005      10.29340005       4.16940000      -0.03984163       0.17047842      -0.05655639
Cl      11.59659997       0.86045394      11.18490005      -0.08020537       0.58774803      -0.35629057
Cl      10.21030002       3.83466004       0.93264901       0.40032245       0.10504051       0.02260185
Cl       2.49263001       7.18116997      12.30720000       0.32187481      -2.27379856       2.39071008
Cl       0.94921094       2.01159000       2.02298003       1.72061109       0.42727599       0.04559669
Cl      11.17559998       6.32806004       5.01932996      -1.42562657      -1.20641527      -0.23672819
Cl       7.68082997       9.13676001      11.81129998      -0.81752389       0.40782970      -0.56329111
Cl       8.42021002       8.87522001       5.95795002      -0.18803244       0.51948430       0.39420879
Cl       4.25901994       3.26556998      10.20410002      -0.59833654       0.16683010       0.34565001
Cl       0.55956997       0.50300701       6.54854000      -1.06473661       0.58902581       0.03475404
Cl       3.45357000       4.82846999       6.64356998       0.17007466      -0.27995388       0.17130136
Cl      11.82359997       9.46273003       8.76998001       0.59068630       0.58137402       0.50197871
Cl       2.90773005       1.82321001       5.15201997       0.67895020      -0.00921089      -0.29681301
Cl       8.61180002       7.41602996       2.82038000      -0.14703757      -0.77882290      -0.00004266
Cl       4.60481997       8.17983006       9.18161999      -0.70388541      -1.50604497       0.02773048
Cl      12.20920001       5.93366995       2.16672998      -0.51530070       0.20665490       0.78846127
K        2.45988997      11.16919994       6.48130005       1.09324575      -1.07290827      -0.37165146
K        4.62594005       1.92174000       7.79611001      -2.02330184      -1.34450042      -0.84978560
K        6.66090996       9.85899006       8.86924002      -0.08058120       0.04942619      -0.30968774
K       10.43870003      12.04639996       6.50236999      -0.84748930      -0.64749954      -0.08931381
K        0.94179198      11.09620001      11.79780002      -0.17920525       0.23802749       0.11737126
K        6.14600005       5.34288999       9.00319999      -0.85563719       1.41708332      -0.09678363
K       12.33779995       7.72761003       6.78001997       0.72545250       0.68023399       0.46774063
K        1.57743006       7.81283996      10.07940004      -0.46257590       1.11700321      -1.53885421
K       10.92249997       1.14924999       2.02510994      -1.30951559      -0.30583239       0.01703287
K        8.49805997       1.68336002      10.26880006       0.08766884       0.33985182      -0.51193013
K        9.64052001      11.39800002      12.07690002      -0.42396440      -0.50360093       0.11974474
K        0.92187299       8.46156006       2.61054005       0.33612260       0.45807633       0.00274418
K        5.04850000       2.51183001       0.52117295      -0.14577177       0.07620893       0.44487034
K        0.76863199       2.05810003       8.71135997       0.09632964       0.60190261       0.99910827
K       10.24069994       5.72012002      10.64920003       0.52937940       0.07492225       0.36126580
K        1.68180999       4.62352001       4.14729998       0.31848231      -0.29699863      -0.06072710
Li       8.75471000       8.06827005       0.79922500       0.75566139      -0.10969955      -0.00115066
Li       4.75887998       7.46651998      11.54620003      -0.42845865       0.47693410      -0.20537855
Li       0.81489495       5.31489001       0.58335505       1.20745244      -0.32716843      -1.46855239
Li       2.79226003       0.88154796       3.07537006      -0.62970707       0.67186526       0.42796441
Li       7.01545996       0.27206002       3.88586000      -0.49790881      -0.40925131      -0.28523846
Li       9.15259005       6.94116997       6.61396996      -0.07993235      -0.15673755      -0.17173407
Li       8.15809002       4.14960995       0.87910496      -0.99754462      -0.05348337      -0.13726251
Li       5.72685002       4.54586998       5.68968002      -0.25998770      -1.95770422       0.12684892
Li      10.03789997       5.61402006       3.07823000       0.37896111       0.01342759      -0.15060661
Li       5.61486996       7.24645002       2.72752003      -0.03195402      -0.59509226       0.20466854
Li       4.93750002      10.60060004       1.15459004       0.67263368      -2.41515765      -1.45394729
Li       9.44956996       9.16501004       4.10314000       0.14134581       0.10617167      -0.50521531
Li       2.21790003       5.34292002       8.26058003       0.16817830      -0.16607956       0.56059167
Li       9.76144003       9.28798998       9.38166003      -0.01690622      -0.65610087       0.20746885
Li       6.37736003       9.56710003       4.39493001      -1.92005684      -1.82298348       3.55277448
Li       4.42294997       8.32223001       5.29811005       1.41715289      -0.08398861      -0.11489444
64
Lattice="12.40919302 0.0 0.0 0.0 12.40919302 0.0 0.0 0.0 12.40919302" Properties=species:S:1:pos:R:3:forces:R:3 energy=-537.71191091 stress="-0.01959435804544727 -0.0005635700260993348 -0.0030437738990130698 -0.0005635700260993348 -0.01845330759179182 -0.003997011669538899 -0.0030437738990130698 -0.003997011669538899 -0.007954316661815067" free_energy=-537.71191091 pbc="T T T" config_type=melt 
Cl       6.08229994       5.62431001       5.60936003       2.96258864      -1.23432624       0.09449242
Cl      11.25970006       9.43104998       9.99466994      -0.16227446       0.36430898      -0.00699190
Cl       4.27026999       1.44838004       9.16778002       0.41200046       0.28230723       0.72660211
Cl       8.80335999       8.49065999       5.15527006       0.78430270       0.76758936       0.98024058
Cl       4.49245994      10.76009999      11.10079997      -0.79372614      -2.23605933       1.10192524
Cl       1.52995001      11.76259998       0.65516605       1.08744751      -0.15481400      -2.12221774
Cl       7.70236998       6.19491002       2.17562998       0.28691318      -1.01371368      -1.34571319
Cl       7.79674003       2.63740000       1.65700997      -1.06873788      -0.52432224      -1.14635315
Cl       8.23706001       7.03229998       8.25595003      -0.81539826      -0.64977487       0.48634503
Cl       3.48248999      11.58110002       4.46606001      -0.44288814      -0.09201137       0.02307358
Cl       6.72822996       1.22194999       5.37351004       1.34909325      -1.69038648      -1.18703817
Cl       2.69247001       4.27184000       6.15612000       1.56743826       1.51507055      -2.41225239
Cl       8.62148006      11.50749998       0.57966294      -2.43475557      -1.40290317      -0.29663947
Cl      10.42179995       6.28759999      10.88510003      -0.81396905       0.38276439       0.16043775
Cl      12.24500004      10.54939996       6.25126997      -0.86065695      -0.48047737      -0.92504268
Cl       8.14473003      10.73319997       7.89207005       0.27479301       0.69399645      -0.09954120
Cl       4.37096997       2.22813005       0.58701204       0.15236417      -0.86445024       1.35027452
Cl       0.58750902       1.74554000       5.05348006       1.83427439      -3.53818814       0.37082931
Cl       4.26859004       8.03062006       6.14388999      -0.24339668       0.47219115       0.43778022
Cl       2.04244000       4.00239001      11.08620006       1.91523064       0.08256978      -0.05672342
Cl       1.64323006       7.49938995      10.40119995      -1.40904255       2.12136236       1.61354027
Cl      11.38970001       0.81745199       2.23076005      -0.35679907       0.78834187       1.22520371
Cl      10.21949995       1.84359000      10.47310005      -0.33252964      -0.21385157      -0.23604541
Cl       7.19785996       4.08081996       8.55727998       0.04310535      -0.38089971      -0.41925837
Cl       1.45769996      12.13610006       8.68149005      -0.00451335       0.29222805       0.30338977
Cl       2.46861003       7.75390995       2.96725000      -1.24654953      -0.80803091      -0.91077728
Cl       9.81743006       3.66572004       5.88016002       0.08477030      -0.19923092      -0.21429428
Cl      11.70120004       9.49406994       1.89078005      -1.08620332       1.30156135      -0.21374669
Cl       4.88769001       6.10996003      10.15480003       2.24146621      -0.33949727       0.26972706
Cl      12.14109997       6.02568995       7.65112001      -0.19016887      -0.45111747      -0.24734715
Cl       5.52284004       8.69567996       2.62983002       0.70938085       0.74636919      -0.00069629
Cl      12.05710004       5.06435994       3.37079001      -0.05870531      -0.43409610      -0.57369363
K        5.73474996      10.81660004       6.32024994      -0.56283904      -0.21905488      -0.11497158
K        6.76018003      11.51499997      10.33360000       2.00366672       1.19591736      -0.40698901
K        4.33432997       7.54823005       0.21642799      -0.67322771       0.20917370       0.44528641
K       11.92410004       4.03657994      11.05959996      -1.61547079      -0.29118097      -0.11437077
K        7.78772996       8.12637994      12.24696007       0.39753896       0.12447978       0.05057155
K        5.42428002       2.92451001       6.72224004      -1.23701147       0.95448670       1.26985869
K        0.80730996      11.13730000       3.05684996       0.77665197       0.39769659       1.91265536
K        1.24487002       2.13307004       1.20478001       0.29369224       0.67209125       0.11319936
K        4.89107995      11.70260004       1.80466001       0.14250042      -0.12513030      -0.12729039
K       11.70130006       7.45474006       4.96502001       0.27335534       0.07045898       0.21573434
K        5.37618000       3.21625994       3.48172000       0.19955947       0.02486911      -0.37157328
K        9.10854002      11.33490002       4.59279001       0.13063945       0.09135791      -0.42189555
K        7.61876999       3.92398997      11.19679997       0.51893193      -0.20665993       1.09882036
K        1.82756006       3.01596998       8.07666995      -1.16450998      -1.59074484       1.90786280
K       11.44719999       7.21126996       1.08845996      -0.11034078      -3.08703076      -0.59216675
K        9.75681004       1.00875000       7.26353996       0.00993339       0.35983387       0.47341528
Li       3.30586995      12.37196048      11.02910003      -1.24239277       1.29397289      -0.59446770
Li       1.14089997      12.11079995       5.49115999       0.94961424       0.16677224       0.83846707
Li       4.31608002       5.88762005       4.97943006      -3.11549358       1.07849153      -0.21132712
Li      10.38330006      12.28970006       0.75282504       1.14312975       0.33551844      -0.92721127
Li      12.12599997       3.33652004       4.93627994      -2.17845041       4.01150612      -0.25842770
Li       7.89433994       7.61065003       3.60525997      -1.16118765       0.12511564      -0.09185076
Li      12.20479996      10.74549996       8.40996003       0.27187375       0.07376698       0.48931804
Li      12.17259997       7.44620998       9.23949001      -0.44435538      -0.00048945       0.37748697
Li       8.97000999       3.15638000       3.13849004       1.35315844       0.72495961       1.56485510
Li       9.06399002       8.80267004       8.08459000       1.10593883       1.16078176      -0.31279576
Li       0.68678604       9.71098003      11.84759997      -0.12529596       0.26940119      -0.10602705
Li       4.14782997       3.21251001      11.26080001      -0.32141240       0.41167311      -1.67525448
Li       6.12779999       6.28674996       7.79993006      -0.08864433      -0.08247168       0.05864695
Li       3.58981996       8.91246000       4.19920999       0.86931923       0.70689589       0.52388178
Li       2.97145994       6.27958998       9.81222999      -0.28214878      -1.67425958      -1.24927463
Li       9.18435994       5.05757000       8.05978005       0.49842273      -0.28470791      -0.49365542
64
Lattice="12.40919302 0.0 0.0 0.0 12.40919302 0.0 0.0 0.0 12.40919302" Properties=species:S:1:pos:R:3:forces:R:3 energy=-533.59609615 stress="-0.013580235254672368 0.0016141775484831743 -0.0031845991782431084 0.0016141775484831743 -0.017622622433413056 -0.00045892739942295384 -0.0031845991782431084 -0.00045892739942295384 -0.022802002129926474" free_energy=-533.59609615 pbc="T T T" config_type=melt 
Cl      11.27639998      11.78319999       3.02191994      -0.12242677      -0.26073661      -0.47937428
Cl       1.64385995      10.10210005       6.04232000       1.45928052      -0.04654210      -0.11905917
Cl       1.32464996       0.65736596       7.96231006      -0.42573055      -1.01551511      -2.46399169
Cl       5.78599000       7.46576005      11.64239995       0.19814297       0.26974010      -0.23294195
Cl       3.73881999       7.71664005       7.08731999       2.59091754       1.79635318      -2.24807417
Cl       0.74402804      10.79540005      11.86599995      -2.13528980      -0.48219948      -5.58951637
Cl       0.18521899       7.29503995       6.08188994      -1.45094188      -0.46719716       0.63956005
Cl       1.32857002       2.26836003      10.17579999      -1.39088296       2.91169057       1.34611661
Cl       7.28982995       3.59642004       7.01559994      -0.84523608      -0.25725541      -0.15420243
Cl       2.29682002       1.13648006       3.97446002      -1.17489824      -0.29458822       1.05619195
Cl      11.16989994       4.76813997       8.62049006      -0.39812525       0.15740487       0.12731944
Cl       4.30947994       3.18420005       0.56338903      -0.50068783      -0.60825077       0.30063845
Cl       7.68253996       4.77035005       2.79918001       1.51685299       1.71730416      -3.05097974
Cl       4.97176999       4.00770003       4.14734999      -0.21640568       0.19782255       0.17708847
Cl       8.88905999      10.49710005      12.39780002       0.10492838       0.26569364      -1.03921725
Cl       7.30702004       0.84703203      10.30249996       0.36774034      -0.67908405      -1.85052735
Cl       7.27101997       9.96289000       6.12668998       0.02787857      -0.18571008       0.02507403
Cl      10.07610006       6.51012995       4.22440003      -0.39866331       0.51953138      -0.08011014
Cl       7.12440995       4.89558995      10.22359995      -0.63408719      -0.76105776       0.14339071
Cl       9.24902995       2.91185003       4.82208000       1.29377344      -1.03015579      -0.39750856
Cl       5.78558000       0.49014104       4.87959003      -0.29489932      -0.08637883      -0.55806359
Cl       6.82755996       8.94739002       2.70005004       0.21968608      -0.98411439      -0.23873316
Cl       7.52823003       1.85650003       0.61737398       0.46442387       0.55860319       1.25718149
Cl       4.02391003      11.16389997      10.30290003      -1.11373557       1.00263206      -1.67232224
Cl      10.73119998      10.57539995       7.83890994      -1.29656379       0.64284600       2.56555054
Cl      10.87529999       2.43544001       0.90794901       0.76017073       0.30406508      -0.94486014
Cl       8.20619004       7.01154995       8.40253995       1.65820207       4.55251085      -0.02624632
Cl       1.67072002       4.87561003       4.13354004      -1.23373484       0.65870359      -0.20355777
Cl       3.72935997      12.16109999       0.84120095       0.16993985      -0.11021672       1.01943236
Cl       9.33566995       6.16336002       0.28574401       0.58162346      -0.01753678      -0.52238738
Cl       1.28038004       8.38237005       2.24253997      -0.24227094       0.14698448      -0.04314037
Cl       2.04761004       6.62498994      10.53060003       0.31940568      -0.21057053      -0.92610861
K        4.39681001       3.82747995      10.35739996      -0.16555155       0.27520063      -0.91323034
K       11.56800001      10.58010006       5.52523005      -0.48697158      -0.26689733      -2.41457478
K       12.10809996       2.76922000       6.28433004      -0.05856846       0.48203990      -0.05529406
K        7.62232001       0.40074695       7.07756996      -0.18758173       0.61937636      -0.33590315
K        7.88973005      11.69999995       2.50636997       0.02695911       0.66620582       0.30395448
K        6.29443001      10.40700000      11.25330002       0.69516483      -0.17540066       1.04206970
K        5.38506002       5.58345001       1.56987001      -0.91082517       0.42458079      -0.11901943
K       10.38629998       8.93992006       1.60210003       0.79830801      -0.35422889       0.57997130
K       10.57539995       0.65081403       9.87927003       0.60866914      -0.58459770       0.25161455
K        8.08826994       9.92201995       8.82308999      -0.11096843       0.11973984       0.20232423
K        0.88357897       4.27484998      11.69440005      -0.60561564       1.05230484       1.33416738
K        4.53290001      10.41680004       3.74667005      -0.25862112       0.18814676       0.09392374
K        6.24793996       7.15969996       6.01620002       0.54439480      -0.17068732      -0.83375474
K        3.15508994       8.92769005      11.76259998      -0.24151093       0.08253172       0.64995563
K        9.25322997       3.26587003      10.89740002       0.03495557       0.05898866      -0.30311312
K       11.79959998       8.38618005       9.17753997       0.81153708      -0.57195486       0.37960060
Li       8.24753995       6.70285998      10.71900000      -0.51538555       0.02552251       0.55469683
Li       9.14400003       3.64430997       1.27985997      -0.93063054       0.22817736       0.87112862
Li       7.77214997       5.27531994       8.04285999      -0.63617031      -3.74358027       0.26375977
Li       3.73084001       1.49804002       2.54235005       1.27035231      -0.10463306      -1.29940126
Li      10.07450002       6.74836995       6.81361997       0.64383377      -0.49364705      -0.66656740
Li       2.96103994       3.30304996       4.29245999       0.26912789      -0.46223511       0.33191871
Li       2.29675996      12.02830004       6.11023998       0.42184174       1.43411940       0.21579145
Li       7.16017002       3.76987996       4.23643000      -0.71595918      -2.64226365       3.44151157
Li       2.07499998       8.06805003       6.20832001      -1.37091251       0.15985163      -1.23325421
Li       3.51113004       6.74766002       8.57198997      -1.05001559      -2.22281477       4.23037163
Li       1.23870997      10.92060000       1.12796003       1.65314095       0.38933859       5.45390374
Li       5.75857996       1.42857000      11.77349997      -0.37315631      -0.14678332       0.79621191
Li       2.29368000       0.74430005       9.83438995       2.13592430      -3.65687104      -0.07460876
Li      11.41749995       1.49515997       2.71455006      -0.03974482       0.07798285       0.58198030
Li       8.06067004       6.68446000       2.02117995       0.20719338       1.04200026       0.41603229
Li      12.25540006       6.50368003       3.61362997       0.67840008       0.06571119       0.43721142
64
Lattice="12.40919302 0.0 0.0 0.0 12.40919302 0.0 0.0 0.0 12.40919302" Properties=species:S:1:pos:R:3:forces:R:3 energy=-534.59558923 stress="-0.021755582947275524 0.0026062914636183917 0.0009706458075911028 0.0026062914636183917 -0.019190539901055084 -9.138272154220664e-05 0.0009706458075911028 -9.138272154220664e-05 -0.009623476550482443" free_energy=-534.59558923 pbc="T T T" config_type=melt 
Cl       1.35158002       2.18908998       4.52871998      -1.42589623      -2.20488777       1.14910474
Cl       2.21483000       6.02752998       7.74821996       0.56452404      -0.64489600      -0.36805854
Cl       8.31203003       5.84820002       5.38998002       1.20014230       1.13582835       0.74960456
Cl      12.00270000       5.63565995       2.99548997       0.35797450      -0.08442175      -0.12143081
Cl       3.93331995       5.65833006       1.58736002      -0.12560915       0.52371231      -0.36718259
Cl       2.68521001      11.78579996      11.21389996       1.03655504       0.20630377       1.27510461
Cl       9.81130997       3.98609004       8.93483998      -0.48168227       0.25964689      -0.08650063
Cl       0.80984801       8.42585000       5.02846995      -4.10732219       1.18577615      -1.37849345
Cl       6.21421996       3.70141000       7.58115996      -1.58173222       0.17039730       0.21585908
Cl       7.22909005      12.21359994       5.31989004      -0.54364724      -0.75661652       1.16340526
Cl       4.67908006       3.82187001      11.33389996      -1.01490498      -0.21771808      -2.17888897
Cl       4.10997995       8.30928003       4.95666006       3.46614593       1.91886929      -1.60593261
Cl       0.29163204       6.30577995      11.63260003      -0.16451774       0.04271206       0.45957731
Cl       5.00899000       9.55531006       9.12524006       0.03411867       0.37742091      -0.17692754
Cl       9.83916997       8.45635999      10.22760005      -0.35211341      -1.14922831       0.20293985
Cl       3.81879997       0.03049199       6.98945005       0.18220287      -0.53029730       0.55677335
Cl       6.84757004      11.60879995       1.42706998       0.89782618      -0.44071682      -0.18761528
Cl      11.14850004      10.53200004       2.03318001      -2.01815027       3.10187581       1.80162580
Cl      11.49200003      11.23420004       7.27434005      -0.19803446      -0.24349524      -0.61447049
Cl       7.86421005       8.96076998       7.03752004      -1.28777031       0.18960120      -1.75310786
Cl       5.65548997       3.32313995       3.54372005       1.15835590       1.55279529      -0.92347335
Cl       1.59590996       8.89884004       8.67635004      -0.06873993      -0.02538406       0.37533862
Cl       7.98387004      11.16770004       9.18296006       1.63240611       3.18460354       1.06446980
Cl      10.96359996       2.05118004       1.62297999      -0.33796471       0.10714533       0.16735092
Cl       3.70945004       0.35942396       2.67725001       0.39678160      -0.88556547      -1.05453874
Cl       9.99191994       2.93751000       5.58246000      -1.22585667      -0.42209410      -0.71144958
Cl       8.13728005       2.52173999      12.02599999      -1.25675216       0.85592523      -0.42102549
Cl       8.35576003       5.96306001       1.98499995      -1.47057785       0.39820709      -1.42752184
Cl      11.14010001      12.13339995      11.59220004       0.04565789       0.77256676      -0.21243356
Cl       6.17251006       6.69028997       9.61568004      -0.07129983       1.47681357       0.32366742
Cl       1.04132997       3.19488995      12.29300004       1.75065596       0.53228813       0.89950897
Cl       0.91905499       2.41511003       8.95224003      -0.21998834      -0.06076275      -0.00151241
K        9.81769003       1.02091002       8.10930005       0.23438661      -0.07374060       0.13982658
K        4.96327006       1.23807995       4.86854002      -0.30691736      -0.10895818       0.67813561
K       12.25229999       4.33909001       6.57127005       0.31455467      -0.20732663       0.34930778
K        4.08554997       8.63452994       2.07028002      -0.25044468      -0.07711449       0.01288862
K        1.32872998       0.39868901       1.41227996      -1.04260703       0.11691402      -0.59967137
K        9.09957003       0.24472505       3.56998994       1.20072352       0.14180619      -0.44525210
K        3.73593994       2.96726998       8.11340998      -1.79158739      -0.25584199       0.38908860
K       10.29950003       8.16856996       7.09784001       1.74438425      -0.10839730      -0.01494839
K        2.58782006       4.05712994       3.56789006       1.33819234       2.04421553      -0.87092009
K        7.21293006       8.75259001       0.49262697       0.47093851      -0.27533743      -0.31211959
K        1.53876996      11.81049996       8.65746002      -0.37720859       0.11653492      -0.02770453
K        0.94812799      11.26760000       4.54916996      -0.21458622       0.48974536       0.59111807
K        5.70386001      12.34994582      10.09790004      -0.74833166       0.18868848      -0.29538212
K        9.43712999       5.61083003      11.54490005       0.23829012      -0.20805595      -0.40226120
K       12.37749994       8.68419997       1.25664001       1.95980935      -3.46591857      -1.28278326
K        6.02416002       6.98146994       6.23681996       0.01752312      -0.65967489       0.95450091
Li       5.52643994      10.77489994       6.35182004       0.27495057       0.08411252       0.45095584
Li       8.14331998       4.25118999       4.28788000      -0.83938078      -2.03093469      -1.20594597
Li       7.97569995       3.50561006       6.90847994       3.42944387       0.15384134      -0.74428847
Li       5.12087004       0.05919073       0.64739902      -1.47145739       0.35387776       0.50523549
Li       7.41472997       9.38359996       8.96702000      -1.25887763      -2.52518065       0.58127263
Li      12.07869998       2.04095995      11.67300002      -2.23499614      -2.00787214      -1.47589053
Li       0.67051697       7.11968999       9.65454004       0.33058630       0.12714260      -0.42804947
Li       9.84384998       5.57714999       3.20231995       1.41936149       0.14130104       1.29707967
Li       5.82322999       3.52435998       0.47027503       1.56892756      -0.04562062       2.03482209
Li      12.11320001       4.06641996       1.33477996      -0.39481614       0.23845666       0.50662306
Li       2.67012999       4.39667003      12.36953237       1.18620020       1.26169568      -0.12844121
Li       2.44391003       7.80984997       5.44023005      -0.33351876      -2.57917054       2.63917459
Li       3.80250000       7.61945001       8.71212996      -0.44303822       0.31432983       0.27276426
Li      10.13599998      10.35259996      10.96610004      -0.02667619       0.87345824      -0.37798121
Li       9.05184006       0.99517695       0.63455699       0.90977397      -0.71734569      -0.06017830
Li       6.44716000       4.76342001       9.44589001       0.32561073      -1.62603463       0.45525747
64
Lattice="12.40919302 0.0 0.0 0.0 12.40919302 0.0 0.0 0.0 12.40919302" Properties=species:S:1:pos:R:3:forces:R:3 energy=-538.73005116 stress="-0.008278675551623678 0.00020237679528621418 -0.0019765188362434005 0.00020237679528621418 -0.012635681170963196 -0.003952243340586387 -0.0019765188362434005 -0.003952243340586387 -0.004342489048757938" free_energy=-538.73005116 pbc="T T T" config_type=melt 
Cl      11.26280000       4.40598003       9.17557994      -0.04002536      -0.37633256      -0.26530266
Cl       4.36674005      10.64949996       9.32356006       0.23969330      -0.11058831      -0.12492334
Cl       2.39089002       3.79623001       4.48013997       0.13200765       0.18932439      -0.45899593
Cl       1.91005997      11.57609999       3.23975997       0.00148734      -1.08534951      -0.35045714
Cl       1.42749003       8.56580001      11.08769996      -0.27397834       0.39461707      -0.04936635
Cl       9.23735998       8.77778005       4.00618003      -0.28798698      -0.55845722       0.09057690
Cl       5.36618006       9.87874996       4.96462006       0.31052745      -0.40641765      -2.60783563
Cl       8.25831001       9.79214000      11.31150000       0.78410000       2.94415078       2.36263606
Cl       8.24732999       4.51107001      10.90280000       0.26959877       0.31007105       1.60955620
Cl       5.22010996       7.51931006      11.47249998       0.00738453      -0.30294139      -0.39098693
Cl       7.73998001       3.27374999       7.47087003       0.23348349      -1.00423951      -1.29757305
Cl      12.16140005       1.57976994       1.05191997      -0.34331383       0.48023818       1.37381389
Cl       0.02090701       7.54176002       5.86000997      -1.50484510      -0.55762766       0.63895025
Cl       2.55448003       7.53113006       3.73142995       0.74539557       0.25288784      -0.19743644
Cl       5.47882997       0.14640701       6.81481001       1.81041845      -0.50168867      -2.66871269
Cl      10.45380004      10.42669997       7.15617997       0.18389655       0.20993457       0.57731757
Cl       6.40269004       1.10157995       2.93658006       0.08971997      -0.16964697      -0.26837885
Cl       8.41975002       7.65332003       7.95425997       0.05456495      -0.10062171       0.54288987
Cl       5.56204006       4.40238000       1.71766995       0.30397843       0.10380791      -0.19536542
Cl       1.27317005       1.12883997       6.65899001      -0.00823256      -0.69954819      -0.49957002
Cl       4.75450996      10.29499996       0.67416105      -0.29627327       0.15012196       0.84016804
Cl       2.11544006       8.42732000       7.99817995       0.84956387      -0.10470284      -0.54953477
Cl       8.64082996       1.46363999      10.88609996      -0.25302317      -0.78291031      -0.19292317
Cl      11.94600004       4.93159994       2.20820994       0.39990537      -0.70935147       0.38407070
Cl       0.92293199      12.14279606      10.14479996      -0.00603328      -0.12482464       0.08186823
Cl       1.97329995       4.82749004      11.83950000      -1.14213414       0.30966247       0.50984706
Cl       8.95590000       4.02184998       3.02365003      -1.21161224       0.57204185      -0.07866211
Cl       4.34192005       2.06471996      10.27799999      -0.15478061      -1.16973635      -0.57224274
Cl      11.56530002      10.11160003       1.42691995      -0.35719771      -0.15164626      -0.17985042
Cl       5.88848994       6.38486994       5.97452995      -0.13621001       0.19406273      -0.54901208
Cl       9.41526003       1.20143002       5.32838004       0.37506610       0.11649882      -0.11822040
Cl       4.18055004       5.14950996       8.34951994      -1.29554774      -0.66128378       0.25819678
K        9.40303002       5.95679994       5.50545004      -0.23989623      -0.61569561      -0.12331134
K       10.93990002       4.75110004      12.07290004       0.10743059       0.22432903      -0.18609157
K       11.57650006      12.21420005       4.65623002       1.19512332      -0.91795681      -0.17409864
K        2.05364997       3.01882000       8.46045999      -0.25671145       0.57228553       0.24801124
K        4.55941995       4.50927006      11.33560002       1.21811793       0.82666901       0.24145355
K        8.24451000       0.33911098       7.99608999       0.17537790      -0.61114614      -0.05309363
K       10.75789997      10.47360002      10.78510005       1.25906221       0.43399965       0.29244920
K       11.39989999       7.38507994       8.64048003       0.40129198      -0.05012582       0.08589480
K        5.91109006       0.38882494      12.01479995       0.46342355      -0.11961294      -0.02208490
K       11.43329996       1.79765998      10.93349998       0.37837662      -0.07201620      -1.05436235
K        6.81418000       5.26919005       8.85069995      -0.47461160       1.51811477      -0.44617982
K        2.41376996       0.72945803       0.68872796      -0.05410379      -0.43172217      -0.38607201
K       12.04060003       7.44825005       3.17045004      -0.16677685       1.34129256      -0.69468719
K        7.63045002      10.78609998       2.41822002       0.29671066       0.23387814       0.09218884
K        3.54912997       1.02830999       4.16436001       0.70360586       1.09439566       1.11190393
K        6.61630003       7.41318999       2.68991000      -0.31687728      -0.48136141       0.25049913
Li       7.84684003       3.40336004       1.07364996      -0.71658962       0.27757700       0.16887482
Li       7.58733998       2.10427997       5.31646995      -1.17389011       0.51066859      -0.40404364
Li       3.75012005       5.50709997       5.06009006       0.09514010       0.20227144      -0.09084150
Li       3.93514000      10.25890001       3.07602998      -0.48136339      -0.17807164       0.02030495
Li       7.43696997       8.44506998      10.44989995      -2.20813781      -3.22405745      -2.11632359
Li       1.31306995      10.07629997       9.23913002       0.48368904       0.57020298       0.21441606
Li       4.24527999       7.24076996       8.18117000      -0.32464823       0.44269728      -0.26438282
Li       3.83157995       9.29962000      11.12230002       0.14341344       0.57239405      -0.39988814
Li       1.73390006       4.50869005       1.68204998      -0.05791213      -0.09668255       0.56040306
Li      10.66560002       2.89904002       3.16155004       1.22031197      -0.47052254      -0.20743885
Li       1.76480999       8.80177000       5.74598996       0.28932267      -0.13058051      -0.37421628
Li       2.65687002       7.63603006       0.09599652       0.27946163      -0.90948386       0.60638721
Li       4.86733000      10.06679999       6.84644005      -0.39592118       0.83020331       2.04535029
Li       9.54286996       8.60319996       6.26827999       0.09013883       1.02292687      -0.20324709
Li       4.50210995       0.69784896       8.30108003      -1.91836523       0.62016297       2.87875323
Li       9.05053002       3.15323998       9.16206000       0.50620915       0.36546218       0.72893161
64
Lattice="12.40919302 0.0 0.0 0.0 12.40919302 0.0 0.0 0.0 12.40919302" Properties=species:S:1:pos:R:3:forces:R:3 energy=-537.10348808 stress="-0.01578862744693472 -0.0013895521199706175 -0.0029582837113384997 -0.0013895521199706175 -0.02273804669038896 -0.00390449750594688 -0.0029582837113384997 -0.00390449750594688 -0.009948973229955648" free_energy=-537.10348808 pbc="T T T" config_type=melt 
Cl       3.97039005       4.46498003       7.51911995      -0.09857178      -1.65835167      -0.32779958
Cl       7.51373994       1.74933995       3.08465995       1.31281076      -0.03483215       0.28158093
Cl       0.31299298       3.17342998       6.46866997       0.27741438       0.49434468      -0.09016667
Cl       0.07785515       0.61290704       9.46182999       1.56450343       0.73224402       0.32954813
Cl       8.81839001       9.98089003       6.78201996      -0.06127520      -0.41332059      -1.15265829
Cl       1.10463000       9.27816004       4.14311994      -2.92382060      -4.26710156      -0.46615637
Cl       8.93393002       6.30300997      10.79660002      -1.20543541      -0.62037269       1.39538379
Cl      10.08519997       4.39776998       2.04913997      -0.53674327      -0.80793195      -0.06886058
Cl       1.97175004       6.63270995       8.90803004      -0.35840774       0.00051600       0.72314492
Cl      12.05799995       4.76109006      11.57739997       0.44270291       0.44895188      -0.19796077
Cl       5.57098994       4.32564999       2.95445004      -0.18510405       0.30747795      -0.80300062
Cl      10.86810005       6.42239001       6.04983997       0.10209236       0.10864719      -0.32006216
Cl       9.64274002      11.17780001       9.63020996       1.11610878       0.31039989       0.81477683
Cl       5.44269998       5.68725006      11.79409997      -0.03367629      -0.38308787      -0.47011191
Cl       3.08197994      11.29650002       2.07764004       0.61255835       0.56436001       0.20108032
Cl      10.69059995       7.35857006       2.16570994       0.05453030       2.70628142       1.91992303
Cl       3.86561998       7.48373997       1.35778995      -0.91027553       0.16761133      -0.55785161
Cl       7.33334006      10.06030006       1.45726998      -0.83140805      -0.62206206       0.50446254
Cl       0.70784606      12.37530004       5.77022003       0.89972330      -0.36203724      -0.57325976
Cl       5.60224001      12.04979996       8.99728999       0.93949423      -0.47625053       0.64905081
Cl       6.58627003       8.92004003       9.67333997      -0.64212018      -0.60631093       0.29618331
Cl       4.05977000      10.80280003       6.08661003      -0.39984275      -0.56886586      -0.20355940
Cl       2.48212004       6.46420005       4.38545001       0.39299111      -0.95209501       0.11466131
Cl       1.33412996       9.93678999      11.12829998       0.55705990       0.10393996      -2.97248785
Cl       6.53767005       7.53817997       4.19087002      -0.66530335       0.24694423      -0.49168804
Cl       9.04950998       2.57243998      10.50920001      -0.44768058      -1.22089872       0.37865644
Cl       2.01558998       3.71099995       1.41360998       0.14469357      -0.28509545      -0.26145645
Cl      11.04579995      11.64830002       1.78428994       0.67011042       0.36275692      -0.36706016
Cl       6.41641995       1.52588004      12.06860001      -1.62423221      -1.62266769      -0.63723391
Cl       7.15217999       5.15391994       6.42297001       0.10281235      -0.05215468      -0.03604967
Cl       8.63108999       1.83300000       6.26547998      -1.92529532       2.02143889       0.17392508
Cl       3.29156004       1.19919004       7.95787005       4.17077783       0.30451500       1.84728393
K        1.09923002       9.57320995       1.12694000      -0.94674680      -0.68547500       3.02779838
K       10.99190000       6.92210002       9.43571001       1.72301663       0.71684960      -1.50629221
K        8.58563995      11.91529994       0.06960701       0.69866395       1.07618895      -0.76333715
K        5.87958994       0.58441095       6.24713994       0.10040298      -0.20408669      -0.23679817
K       10.76059996       2.24352998       8.39566998      -0.53696438       0.94769895      -0.55165197
K        7.36723006       3.60923005       0.72796905       0.75958486       1.26467278       0.22038200
K        4.82826996       6.90599003       7.59868000       0.43709100       1.77882521       0.19462942
K        6.95749005       2.45341001       8.74917004      -0.83166478       0.13166290      -0.08456243
K        2.88370995       3.81881995      10.52609996       0.15569973      -0.07668776      -0.21582243
K        4.86876004       1.62730000       2.91566995      -1.00491440      -0.96735310      -0.49955036
K        0.18785297       4.73159006       3.46981996      -0.16207029      -0.28342144       0.55536506
K        4.76892001      10.75840006      11.61379998       0.36220403       0.07825127       0.39517052
K       10.47690000       0.22499803       6.29974995       1.25345527      -2.48348364      -0.10130287
K        9.73652994       9.83609994       3.39923994      -0.31004600       0.02410400       0.74704428
K        1.14945002       0.91344901       1.34333001      -0.61892894      -0.11992434      -0.13567992
K        7.73897002       7.31252996       1.53777996      -0.08496748      -0.61568410      -0.30657939
Li       1.63987002       1.35614995       7.35227996      -5.07587208       0.24782948      -1.92346291
Li       0.24925800       7.30337000       4.85595995       0.05756273       0.50165358       0.35101365
Li       1.79075005       4.74890001       7.14958994       0.00821680       0.35264775       0.03100587
Li       2.44917004       7.13854998      11.73420005       0.43919090       0.11183909      -0.36289301
Li       1.94459997      10.83110006       4.27717000       2.61010620       4.55964483       1.00184011
Li       5.44503005       5.09972999       4.83019996       0.11946698       0.62528654       1.44523216
Li      10.00009996       4.18088000      11.02259997       0.62597979       1.64529748       0.73467965
Li      12.19760002      11.04420003       9.68853999      -0.65899297      -1.11293164       0.31826180
Li      11.12199996       6.08919995       0.85940797       0.36055691      -2.29745645      -2.19878569
Li       3.45907000      11.41129995       8.56508003       0.24251254       0.14819036      -0.99201923
Li       7.97876998       7.09837000       5.57306997       1.23273482      -0.15177272       1.20502170
Li       3.48974999       4.89225994       2.41120002       0.19159260       1.06926036       0.12308138
Li       7.90726995      10.39050000       8.75266000      -0.54681912       0.13345322      -0.42171987
Li       8.88536999       3.62332999       3.81129005      -0.41130917      -0.66930845       0.36546487
Li       6.85514994       7.15482004      10.92130000      -0.08114296      -0.14281016      -0.31026952
Li       4.65729994       8.12744998       3.27931006      -0.61879102       0.47004643       0.26249874
64
Lattice="12.40919302 0.0 0.0 0.0 12.40919302 0.0 0.0 0.0 12.40919302" Properties=species:S:1:pos:R:3:forces:R:3 energy=-535.03137954 stress="-0.013172271256499914 -0.003921260845051522 0.0011951539144566202 -0.003921260845051522 -0.021703525783965803 -0.003547223181400701 0.0011951539144566202 -0.003547223181400701 -0.01786349441031614" free_energy=-535.03137954 pbc="T T T" config_type=melt 
Cl       5.84432996       8.90433000       7.58687005       0.94491825       0.39844333       0.56967774
Cl       9.79933001      11.04389998      10.08700005      -0.64478693      -0.91475877       0.46558607
Cl      10.05489995       3.12090001       7.12701997       0.23176237      -1.02480586      -0.40305564
Cl       9.72386003       2.15082996      10.67219997       0.77722521      -0.34275292      -0.31864218
Cl       8.45603003      11.42389999       6.74689003      -0.09970601       1.94021422      -1.38489704
Cl       6.59507001       3.97208006       6.64076004       0.04667254       1.25331103       1.55088211
Cl       5.40159999       1.56117997      10.27490005       0.05756755      -0.20298839       0.20139415
Cl       7.79889997       9.58842002       3.66603002       0.21722424       0.09640359      -0.23664495
Cl       7.47408004       3.87532000      11.85769994      -1.19683619      -0.14549877      -0.56721589
Cl       4.48413002      11.51779998       2.35939995       2.45989756       2.67939503       0.31471247
Cl       1.32155995      10.30570004      10.11910003       0.89859952       0.30890732      -0.62199092
Cl      10.34280005       7.89238996       1.13727996      -0.37603276      -0.97525244       0.03051631
Cl       9.75654001       1.06923998       1.73799000      -0.24295734      -0.26854505      -0.51319153
Cl       3.62443999      10.23770002       5.17085005      -0.10891484      -0.95764911      -1.09620699
Cl       3.98568004       4.77718999      10.71010000       1.76591397       2.08872176       0.24222673
Cl       2.97247998       5.02866006       4.28882000       0.21568369       0.29266414       0.11197678
Cl       0.37437803       0.28708805       5.16074996      -0.46736948       1.21718562      -0.63249575
Cl       6.32888997       9.35390004       0.07471463       0.94965614       0.32913327       1.00789302
Cl      12.15819997       5.96798000      10.76339997       2.53672892       2.23838362       0.68310220
Cl       3.75706002      12.11349994       7.91199003      -1.10686686       1.52216627       0.84433344
Cl       0.56118602       3.47381001       8.63930004       0.57309273      -0.39120661       1.32964262
Cl       1.08529003      11.50370004       0.78957300      -0.13279749       0.09235227       0.34747386
Cl       1.52621000       8.07150996       1.10985998       0.59752443      -0.52281480       0.56832068
Cl      11.66330001       9.62229997       7.80482995      -2.47738881      -0.58706114       0.36557237
Cl       3.12505994       3.10870996       1.34797999      -0.04187373      -0.83055599      -0.05672259
Cl       2.37686998       7.60042994       7.83475001       0.14944770      -0.59568071      -0.30944790
Cl      12.08330006       6.83293004       4.60594003      -0.34114371      -0.34446226      -0.74933515
Cl       8.42392000       5.10654003       4.23069000      -1.02070294      -2.26816914       2.42245520
Cl       6.86252001       6.23042997       1.23484997      -0.86547191       0.18337491       2.13356835
Cl       9.38149995       5.43125994       9.29519004      -0.18200263       0.25529659      -0.82771918
Cl      10.87060001       4.55784001       0.80137898      -1.67858919      -2.20277328       0.83560953
Cl       6.33067999       0.51329001       5.25143994      -1.78545179       4.24174504       0.99004398
K       10.83129997      10.46540002       1.64803998       0.24575722       0.42149958       0.50225892
K       11.60500000       6.91228001       7.24462996       0.00639243      -0.31615047       1.23692485
K        8.34023005       6.82273006      11.52700003       0.40675762       0.52755156      -0.42907159
K        3.83466997       5.73976005       0.94696599      -0.09631048       0.84844053       0.61055080
K        0.40616195       1.65753996       1.75020003       0.13222910       0.49138380       0.17941738
K        6.86829004      12.17389995       1.08406003       0.05197734       0.00394430      -0.61564116
K        1.28103996      10.62800004       6.66452004       1.77547657      -0.27011736       0.18945472
K        3.06888998       1.65382999       5.18327004       0.35668666      -0.73714476       0.00399204
K        9.77353006       0.71460596       4.62490996       0.03487766       0.11450465       0.67843658
K       11.84219999       8.68043006      10.97659996      -0.51021491       0.22828634       0.21432893
K        2.29335996       0.33027005      10.68880000       0.88426778       0.70164915       0.12670473
K        4.57131999       8.70428003      10.68290005      -1.35966503      -0.13457116      -1.44022493
K       11.56009994       0.22503699       8.59514999       0.14155230       0.36797860      -0.46252562
K        5.76474001       3.55008001       4.24749999      -0.33968136       0.01904798      -1.67175919
K        7.10600997       1.60010004       7.70397994       0.05787858      -1.40674622       0.92018704
K        0.83139298       4.01059001       6.04715996      -0.42567666       0.37892988      -0.94888935
Li       3.17887005      10.23430002       2.17036004      -2.95716421      -2.20493602      -0.47974297
Li       2.38995995       4.63867002       9.78368996      -3.44043893      -0.04812458      -1.92961652
Li       4.86423999      10.92200000       6.78956004       1.09739003      -1.03603910      -0.48995494
Li       8.95125995       9.99374000       7.86976999       1.08152243      -1.92877838       1.77822714
Li       4.46177002       7.55279999       6.82762002      -0.92039208      -0.20363417      -0.06310296
Li       6.50387001       8.10961996       2.55646997       0.23569561       0.32423090      -0.66928193
Li      12.29510005       5.83426003       0.75063903       1.61957467       2.37413532      -0.22165288
Li       8.86082994       4.69531997       6.36048998      -0.67879365       0.16989348       0.18408144
Li       6.76348001      11.42890003       4.34570002       0.51896119      -4.03483837      -1.88443975
Li       1.67492003       7.34180995       4.14514003       0.52706927      -0.19466884      -0.27194774
Li      11.28760002       4.37426995      10.28939994      -1.66302642      -2.70031558      -0.93307643
Li       9.94531995       0.11446401      11.54519998      -0.10778913       0.82420247       0.37914528
Li       9.03780005       3.36079006       0.75452497       0.41393464      -0.49753000       0.04320581
Li       9.03724002       6.19496003       2.90751004       1.55535030       2.69681507      -3.45982126
Li       8.22537006       3.46694996       9.33147998       0.28661111       0.44650992       0.67932427
Li       4.99957998       3.33468000      11.54309997       1.41616817      -1.78813125       0.94708738
64
Lattice="12.40919302 0.0 0.0 0.0 12.40919302 0.0 0.0 0.0 12.40919302" Properties=species:S:1:pos:R:3:forces:R:3 energy=-537.27159927 stress="-0.007049338820310915 0.0013539233826273544 -0.0038843862650376785 0.0013539233826273544 -0.01860367216887553 -0.002162774294053661 -0.0038843862650376785 -0.002162774294053661 -0.014493882302692006" free_energy=-537.27159927 pbc="T T T" config_type=melt 
Cl       5.51182005       9.14798003       8.06598005      -2.26040945       0.90605573      -0.36423653
Cl       9.61917000       9.41741997       8.06192994      -1.84086713      -0.66658118      -0.47438102
Cl      10.64489999       5.68635994       6.31624003       0.20643549       1.01227679       0.88606924
Cl       3.12845001       9.45443995       5.30496005      -1.60740314      -0.14859811      -0.17132881
Cl       2.13413996       5.99365003       0.11212996      -0.13444109      -0.03601306      -0.16399081
Cl       8.33875000      10.06760001       1.82044996      -0.59510651      -0.37541517      -0.38646585
Cl       5.00972003       2.75162997       6.28889998       0.93082712       0.91375435       0.21066540
Cl       6.53354002       6.44104996       0.97399198       0.22393283      -1.06894870       0.53345978
Cl      10.26040003       1.79227005       1.45617996       0.91608101      -0.00475013       2.99817340
Cl       8.87998998       3.57105999      12.21999998      -0.27197175       1.42784419      -2.96488651
Cl       0.72714198       2.88987000      12.22990004      -1.68925115       2.07498234      -1.60206774
Cl      10.77559994      12.33499994       6.27436000       0.36726563       0.37387246       0.09855754
Cl      12.34585216       9.28923003       8.94423995       2.22345938       0.00049398      -0.35040037
Cl      11.88090004       8.63744002       4.74536997      -0.04268779       0.01963915      -0.03211798
Cl       7.28589996       8.15329002      10.69879994      -0.58006100      -0.47324457      -1.47648813
Cl       6.19235000       2.55342004       1.53227996      -0.96607521      -1.27990688       2.93464079
Cl       7.01084002      12.13639999       5.16388005       0.67597998      -0.35905218       0.01665700
Cl       2.47717002       5.56462998       8.42532001       0.17762441      -1.33888014       0.76159016
Cl       3.76309002       3.17397996      11.18979995       0.95883258       0.53915464      -0.06934944
Cl       7.20649006       5.85370002       8.54935994      -0.05200515       3.63683963       0.68411854
Cl       4.52231001      12.20889996      11.22370000       0.15885504      -1.21416226       0.68868701
Cl       7.95046995       4.09666997       3.62423996       0.21803713       0.24039225       2.18345164
Cl       3.09104994       5.16938006       3.43601000      -0.07843365      -0.11685680       0.07999562
Cl       0.04910702      11.00069998       0.85847902       0.73828078       0.94954922       1.26541072
Cl       0.27055404       2.57754997       3.40222994       0.39021974       0.64640624       0.71430787
Cl       8.81138998      12.25990000      10.76920003       0.18118639      -0.69070668      -0.27111083
Cl       3.68210998       0.44988102       3.90140003      -1.08504012       0.15754711       0.69600248
Cl       3.86339005       9.03476005       1.19465994      -0.58146253       0.89173262      -0.47169086
Cl       8.58001996       2.59674004       8.53679005       0.10445394      -0.13111305      -0.63869502
Cl      10.80500005       6.91482004       0.01724878      -0.20915182      -0.47511128       0.49100170
Cl       2.56442005       1.02994999       7.86517003      -0.59512079      -0.00099051       0.63009250
Cl       6.13948994       7.51501002       4.16217996       0.54957118      -1.89974730      -0.73891913
K        1.73587994       3.72998006       6.07009997       0.02255690      -0.34569398      -0.30906507
K        5.31712999      12.16390001       1.93636994       0.90356012      -0.60520634      -1.01818108
K       11.62490001       0.40032305       9.01245998      -0.09615554      -0.18111980       0.20568215
K        1.73908003       1.12055001       1.26530002       0.87785059      -1.83492808       1.11365597
K       10.24439999       3.14536994       5.63232002      -0.22457862      -1.34918569      -0.49788497
K        5.64646005       9.80741001       5.02099999       0.66662526       1.61789592       0.55179726
K        7.50327999      11.88039995       8.34389994      -0.00093416      -0.15522241      -0.34485043
K        3.50601001       9.32783999      10.61370006       0.06495665       0.42205571       0.09140549
K       11.51820006       9.37836005      11.49429995      -0.88219567      -0.26610636      -0.29838427
K        9.68143995       6.56991000       3.49301994      -0.27821497       0.34292706      -0.18967807
K        1.85028005       7.97166994       3.01716995      -0.05496994      -0.14080768      -0.41292749
K        4.52647999       6.00130005       6.09587994       0.51395735      -0.11785985      -0.19425907
K        5.10171000       6.17754000      11.11099996      -0.59029525      -0.06106906      -0.96565427
K        2.06018998       7.86951002       7.28997998      -0.64528136       1.26178346      -0.12383055
K        9.74169998      11.47239996       3.78478997       0.11251752       0.21539795      -0.34234288
K        0.85842802      11.30109998       4.55627000       0.16713393       0.48379664      -0.06606545
Li       7.99880996       9.20908997      12.16550005       0.72737287       1.12654138       1.52594990
Li       9.72704001       0.68508598      12.40799392      -0.35682385      -0.80462506      -0.85710193
Li       5.51978998       8.10845002       1.91002994       1.03780846      -0.40628030       0.87554604
Li      11.55209999       8.95243994       6.95182997      -0.83508878       0.17096917      -0.19859193
Li       7.16212000       4.13506005       7.94815998      -0.16499103      -3.97962642      -1.29465310
Li       9.51080002       6.26556995       8.40424001       0.10013221       0.15211175      -0.27633193
Li      11.26040006       4.85778001      12.06650000      -0.46975978      -0.85180989       0.18092128
Li       6.20736004       3.35335000      12.28330002       0.47672513       1.00541531      -3.51477414
Li       1.07798995       4.25967999       1.83856006       0.39747251      -0.09173958       0.03149750
Li       8.18501995       3.66528994       1.66052003       0.06420034      -0.55917795       0.40328574
Li       1.65124999       4.32091997      10.64329995       0.81582023       0.20561393       0.37233896
Li       6.95703004       1.73264003       5.29225005      -0.43437054       1.68039849      -0.14766928
Li       7.26264997       8.30125004       8.10949004       2.16019735      -0.73735134       0.67628882
Li       3.74232001       1.02214002       6.08806997       0.16760346      -0.47901441      -0.50009029
Li       4.32711998       1.37993999       9.98108002      -0.60422829       0.76964321      -0.87873651
Li       4.96703005       4.88468996       1.82693997      -0.07015749       0.00181149       0.70595124
64
Lattice="12.40919302 0.0 0.0 0.0 12.40919302 0.0 0.0 0.0 12.40919302" Properties=species:S:1:pos:R:3:forces:R:3 energy=-536.90331518 stress="-0.012695854948777943 0.00014219399224927202 -0.005314723638738544 0.00014219399224927202 -0.013122839789973799 -0.003957710016286364 -0.005314723638738544 -0.003957710016286364 -0.01171248123108301" free_energy=-536.90331518 pbc="T T T" config_type=melt 
Cl      11.92760006       8.03361998       0.18890899       0.37213761      -0.16489805      -0.64718506
Cl      10.21669994       2.99102998       2.19829996       1.89395987       0.97228168       1.22227027
Cl       6.82941998      10.07699998      11.07900000      -0.13216703       0.50195779      -0.02946443
Cl       3.21849000       8.60744005      10.59710003       0.68860796       0.30972064       0.89543493
Cl       9.69682995      10.54990005       8.11562005      -0.35433414       0.14416662       1.12923050
Cl       5.70504000       0.40951094       0.87098401      -0.58735216       0.39419788      -0.66947512
Cl       9.51534005      10.57219999       2.26629005      -0.07242509      -0.41815663       0.77038737
Cl       2.31771003       2.71929000       5.43736006      -0.39003460       0.10026979       0.19085143
Cl       2.24897005      12.33789997       0.54514602      -0.46350344      -0.16477428      -0.54545805
Cl       9.97155001       0.66173101       0.75843102       0.10120068      -0.63402621      -2.00228472
Cl      11.40239995       5.37983997       5.50591005       0.02080518      -0.29022477       0.54973020
Cl       2.04139006      10.36289997       7.68002003      -0.44183209      -0.72378740      -0.00389781
Cl       3.41424998      11.34289998       3.15108003       0.04167791      -0.64983835       1.64229103
Cl       0.59607100       3.67679996       0.44774801       2.29334009       5.28826131       2.25918694
Cl       0.02709361       0.10414502       3.95953002       1.94616894      -0.20285586       0.38376753
Cl       5.69193999       1.80230995       9.47604001       2.47140977      -0.24293923       1.84177001
Cl       4.15814995       4.68040003       2.55795994      -0.48140915      -0.32700532       0.51346602
Cl       7.99057001       6.37223999       2.36036998       0.42082682       0.84738904       0.38890627
Cl       1.07714997       1.90365000      10.46820004       0.85201656       0.41567161      -0.50701633
Cl      10.36250002       3.89438995       9.86024997       0.12125381       0.00005883      -0.03651270
Cl       4.23204000       5.09171005      10.28199997      -0.63300382      -0.16732008       0.12990050
Cl       7.01258004       0.28860904       3.81828995       0.80572711      -0.39259876      -0.25365054
Cl       4.90152998       8.21169004       2.48021995       0.50737138       0.25598533      -0.86927008
Cl      11.33939996       1.69120002       6.54445998      -0.58633029       0.81761004      -0.08211271
Cl       5.05200001      12.14190000       7.06512999      -0.07898575      -0.11181610      -0.32731979
Cl       2.51140996       6.72171004       6.25830002      -2.77550501       0.35548693      -1.38507407
Cl       6.82179999       7.34938006       8.92050997       0.29212510       0.47250447       0.46475234
Cl       7.01063999       9.42997001       6.02964004       1.32779837      -1.03472229       0.59295408
Cl       7.03981003       3.86245998       6.08289000       0.73945618       0.35375238       0.33143911
Cl       0.64916695       6.51852006       9.48273005      -0.75740009      -1.23084317      -0.56717617
Cl       0.42704004       9.02501002       4.53705995      -0.19419625      -0.06133306      -2.02325726
Cl       7.53988003       4.30140999       0.07647475       0.51884339      -0.23252961      -0.59470975
K        7.44313995       4.41003002       9.52626001      -0.50057419       0.38672237      -0.35703901
K        3.56342002       2.26072006       8.40639996      -2.44671916       0.68259306      -1.48190353
K        5.21754994       2.02047995       4.92677003      -0.59766405       0.07951943       0.50410813
K        4.62362995       8.48184996       5.20751996      -0.90647057       0.14277797       0.07744713
K        0.54181105       0.17100402       8.58189002      -0.78719107      -0.71377056      -1.02211493
K       12.15720003      10.91170000       0.75933403      -0.05647603       0.24164432      -0.14819131
K        3.99699995      11.94030000      10.80060000       0.37789380      -0.22659992      -0.73186222
K        7.84079998       3.59589004       3.01246004      -1.15504128      -0.10412611       0.58755890
K        8.39990995       1.31665000      10.23500003       0.48301023      -0.39188175       0.15571240
K        2.67938005       1.70435005       2.72405997      -0.24809633       0.42729893      -0.11272816
K       10.70929998       8.02760003       2.58733995      -0.42181373      -0.92848634       1.42708523
K       10.85109996      10.60460002       5.68689999      -0.71616491       0.61549735      -0.16326005
K        4.93118001       3.28845005       0.28111898      -0.28976572      -0.48411986      -1.05105055
K        4.59781995       6.39584997       7.47943994       2.13534860      -0.95954280       1.58543592
K        2.33312001       7.53525004       1.66734000      -0.41582159      -0.33176533      -0.21728844
K        8.64188996       8.49716998       0.35079697      -0.28437189      -0.13541801      -0.44448256
Li       0.44487999       7.82969003       6.09192997       0.65009735      -1.69314936       1.66138293
Li      10.72569997       0.25947101       3.03863004      -2.45145571       0.49849367      -1.48466356
Li      12.15020001       2.79152999       4.50353999       0.27029345      -0.00614885       0.23806659
Li       1.37242002       8.44751000       9.62115001       0.02031711       1.08709115      -0.61638266
Li       7.75055996      12.37030000       1.12034997       0.98809701      -0.28895146       0.76086616
Li      12.33449998       4.85561994       7.78977003      -0.07617941       0.14300329       0.01376324
Li       4.65688994      10.95329996       1.48700005       0.17514583      -0.33165751      -0.13018680
Li       1.56886002      10.73100006       4.21232998       0.59642998       1.12977167       0.17135884
Li      10.35040006       4.67596994      12.07213402      -0.14120000      -0.45303089       0.27165694
Li       5.76687004       6.00841995       2.19585001       0.51760234       0.85921132      -0.08668477
Li       6.13179996      11.08299998       5.29722999      -0.30504295       1.81930366      -0.27749943
Li      12.24939997       2.22391998      12.18950005      -2.35893193      -4.11174365      -1.53244530
Li       1.75175999       5.21342004      10.92630004       0.36819718      -0.48819165       0.09637546
Li       7.31283995       9.87295003       8.41838004       0.37595816      -0.20653421      -0.21658135
Li       9.92035997       3.59114005       6.19863005      -0.34656037      -0.00716931       0.06026491
Li       5.45540997       8.39939000      10.55279996       0.08090204      -0.43028580      -0.29919211
64
Lattice="12.40919302 0.0 0.0 0.0 12.40919302 0.0 0.0 0.0 12.40919302" Properties=species:S:1:pos:R:3:forces:R:3 energy=-535.70808809 stress="-0.021993790530038426 0.0012827012785730446 0.004360125543781746 0.0012827012785730446 -0.00921170814652796 0.002563634156606962 0.004360125543781746 0.002563634156606962 -0.013970998689784403" free_energy=-535.70808809 pbc="T T T" config_type=melt 
Cl      10.21050006       4.25602995       4.27158996       0.67786026      -0.61193749      -0.99132741
Cl      10.94670001       8.39112002       9.68327998       0.50607250       0.43228905      -0.07925125
Cl       0.74787700       1.15664003       4.97923002       0.63119954      -0.23554263      -0.96543793
Cl       3.24826995       0.44414003       7.86519000       0.98176461       0.24521867       0.01369731
Cl      11.43510003      12.14369995       9.23412006      -1.03020268      -1.01693686       1.24732683
Cl       9.79876006       7.91869001       3.45075001      -3.24177124       0.24010340      -1.63069907
Cl       6.28491005       3.87861998       3.34826000       1.30719525       0.83037476      -0.28324261
Cl       9.83667002       6.16433004       6.71860998      -0.13566157       0.94383149       0.70728059
Cl       1.85438004       2.88990995       2.07742003       0.41419333       0.26622719       1.56401610
Cl       7.20005999       5.57439006      11.55240004       1.93950287      -1.66995192       0.09100922
Cl       2.20464999       0.75210195      11.57669997       0.10635228      -0.30830126      -0.30463754
Cl       8.55311000       3.42654004       8.03380997      -0.01622866      -0.59539845       0.59952280
Cl       7.16649002      11.90080005       0.19054403       1.04124706       0.80513638       0.13153689
Cl       5.99549999       9.55784997       3.26464996      -2.08878229      -0.78532992       0.38075514
Cl       8.96196003       3.09609006       1.46153999      -1.25891912       0.78465103      -1.77172818
Cl       2.82644003       4.56581006      11.39919999      -0.03060524      -0.71884564       0.21910943
Cl      11.69529996       5.26104999      11.41170002      -0.05762244      -0.21756910      -0.05997709
Cl       5.40781004       8.03129003       6.89383002      -0.39721006      -0.13510080       0.08187341
Cl      10.10159996       9.95378997       6.94142002      -0.99927681       0.92294530      -0.77172023
Cl      11.92480005       1.20368006       0.57007597      -1.78962184      -0.03443166      -0.36470122
Cl       5.30257996       6.42076006       0.77097696      -1.88278667       1.22894016       1.89311253
Cl       0.59375904       9.39768005       1.71749994       0.38696257      -0.13373429       0.32569369
Cl       8.55136006       0.55576197       3.67276003       0.21827983       0.87058681       0.65176080
Cl       0.21132397       7.71654996       5.79745002       1.67712581       0.19588034       0.41373486
Cl       2.76037001       5.56438006       8.14931995      -0.65020523      -0.94297220       1.23059823
Cl       3.75984005       9.55142002      10.58089995      -2.74501265      -0.22401590      -0.54326997
Cl       3.14321000       5.52284996       4.74505999       0.61407687      -0.94726581       2.12633098
Cl       8.23574998       8.65744997      11.94200006       2.78179101      -1.67615748       1.23694111
Cl       5.17524005       2.57573996      10.65489994       0.48189606      -0.26877286      -0.67584924
Cl       7.31406002      12.29280000       8.64803995       0.59543615      -0.34354176       0.27545899
Cl       3.79452002       0.13373201       2.87270002      -0.62090517      -0.04196574       1.09401677
Cl       0.55430103       2.68789003       8.57557002      -0.20400001       0.20120974       0.19184153
K        4.65375004      11.06460000       0.94389894      -0.59735040      -0.71364445      -0.75255965
K        2.02356003       7.12153995      11.07329996      -0.55184175       0.53045413      -0.05440391
K        7.13564002       6.84294997       4.81186997       0.14970105       0.02081010      -0.09405859
K        5.80153004       3.87282997       7.93761998      -0.58669152       0.29597782       0.07610519
K        2.90502001       6.87958997       2.70420998      -0.11058515       1.15801039      -2.49200001
K        1.66822999      10.88489999       9.46155997      -0.22800545       0.35928418      -0.12399576
K        6.05463997       9.41690995      11.29120005       0.36834532       0.48275010      -0.31851781
K        2.30980003       9.91757994       4.50628006       0.00695140       0.50176023      -0.13503478
K        4.04654999       2.69368003       3.92287004      -1.27001667      -0.25399940       0.46703696
K        9.21197995       1.58150996      11.28620002      -0.71049128       0.29880592      -0.25564419
K       10.60450001       9.96022997      12.19589996       0.93533263       0.25076118       0.31948305
K        0.77734300       3.95852004       5.27174002      -0.40536889       0.06548040      -0.01516969
K       11.43220000       0.03170698       6.62909006      -0.58451047       0.35967056      -0.82623022
K        8.82583006       6.35114995       9.81579999       1.83399679       0.50101543      -1.84106337
K        8.36837000      10.37099994       3.04389004       1.66274489      -0.25565650      -0.64068073
K        6.30117006      12.23293905       5.94808000      -0.13436775      -0.36741409      -0.46757238
Li       8.68170001       6.32929004       0.95264705       0.71834673       0.81668204      -0.47202213
Li       1.26371003       0.56462995       1.73621003       0.88928487       0.22029751       0.26049774
Li       3.40579001       6.86272005       6.80329999       0.79190396       0.94788698      -1.34646609
Li       9.54276002      10.70080006       8.97986997      -0.00894759      -0.25538912      -0.25388238
Li      10.19959995       2.27396005       2.83783006       0.78092103      -0.28788703       1.18944360
Li       2.59819998       2.32581000       9.92698996       0.16764307       0.15341809       0.10803402
Li       0.56993699       4.99129002       8.46710002      -0.14048953      -0.24263264       0.66020861
Li       9.44054996       4.11887002       6.21262997      -0.04076173      -0.10064852       0.20691147
Li       0.98540694       3.21022994       0.31915303      -0.47689040       0.58018736      -1.68915383
Li       5.36111996       0.73815402       9.14226994      -0.68741825       0.02084721       0.52779038
Li       6.87912004       4.87153002       1.27980996      -0.84407930      -1.06847221       0.53771481
Li       5.24449998       5.00511994      11.42270002      -1.81245212      -0.80742871      -0.01228126
Li       7.48911005       1.24161000       1.82697000      -0.16239045       0.21108475      -0.05128653
Li      11.50520006       7.55729000       4.07083999       2.25639883      -0.70472590       0.30746529
Li      10.98629998       8.11480998       7.24657994      -0.02919257      -0.87417370       0.51974086
Li      11.83798397       1.21504005      10.57320005       1.60813638       1.09726535       0.62781586
64
Lattice="12.40919302 0.0 0.0 0.0 12.40919302 0.0 0.0 0.0 12.40919302" Properties=species:S:1:pos:R:3:forces:R:3 energy=-536.72826419 stress="-0.014433370316222256 -0.0005631114436993287 0.0034155294984067218 -0.0005631114436993287 -0.0168033112520125 -0.00021109878624437858 0.0034155294984067218 -0.00021109878624437858 -0.014254739429786592" free_energy=-536.72826419 pbc="T T T" config_type=melt 
Cl       3.26059005       1.28557006      11.44820005       0.23965656      -1.04893621       0.61610675
Cl       6.91084997      11.83249997       6.32456003      -0.39522184      -0.31535767       0.21874609
Cl       2.18215002      11.66499994       3.30065995      -0.98370803      -1.72366971       2.43186522
Cl      11.69749999       9.57333999       7.96402004      -0.55935755      -0.05667725       0.19899813
Cl       5.04981004       1.52159006       3.94750998       5.73702682       2.03368501       0.98280639
Cl       4.96751004      11.45259997       2.27878996       0.12897028      -0.09676900      -0.75730121
Cl       1.82727998       9.90578997      12.31029994      -0.19705540       0.46763529       0.43657597
Cl       9.90129995       2.89022006       0.42879805      -1.49078938       2.14489320       1.51007720
Cl       7.97743997       3.41962006       5.24690004       0.30490000       0.60382578      -0.16427332
Cl      10.22289995       0.62486504       7.06765998       0.89845285       0.28374030      -0.86528905
Cl       1.84560004       2.04790004       2.42556999      -0.56635903       0.84664404      -0.68200997
Cl       8.88118003       4.60792004       8.43121996      -0.66126157      -0.24014300       1.72398609
Cl       8.06598005       9.18416003      10.16720004       0.11728155      -0.44300883      -0.63181357
Cl       0.21584004       7.63265004       3.21980996       0.39853261       1.61583323       0.62417936
Cl       3.31438998       6.17251999       2.32842003      -1.18463255      -0.86319576      -0.50585331
Cl      10.21870006       6.89434996       6.65813998      -0.15578448      -0.03377573      -0.31912221
Cl       9.37913997       6.65844996       2.49432002      -0.18200478      -0.33667363      -0.00049819
Cl       6.75811998       2.82212995      10.65000005      -0.13393452      -0.16587047      -0.18782760
Cl       4.55403002       5.46370006      10.49070001       1.15302521      -1.04092392      -0.19812439
Cl      12.16396404       2.86069995      10.33619997       1.75402135       0.71327259      -1.17599579
Cl       2.18647003       4.45311002       0.05960694      -0.03880505       2.96220210      -0.37183448
Cl       5.77591002       8.61795995       0.84973203      -0.05874409      -0.65228218      -0.48812330
Cl      11.90927007       6.94712006      10.17439998      -0.48093337       0.44146085      -0.60295762
Cl       1.25264996       4.96635002       7.59973999       0.54256222       0.31096882      -0.30876398
Cl       8.81068998       0.02270696      11.74939995       0.30988780      -0.47293160       1.36484893
Cl       3.14425001       9.09976995       8.79604998      -0.36055279      -0.07714610      -0.00182411
Cl      10.86089999       3.36139004       3.59483005      -1.50681377      -1.47342230       0.98095882
Cl       2.91393006       0.38173098       7.47656001      -0.16157370      -0.89450490      -0.70044263
Cl       6.63232005       4.50352001       2.03982005      -1.11394830       0.09637796      -0.63469375
Cl       5.34727999       3.95970003       6.96603005      -0.18174995       0.42719648      -0.25300445
Cl      10.20690003      10.08220005       4.40673004      -0.05715223      -0.01184546      -0.41159685
Cl       3.89918995       8.49721006       4.58392004       0.21211191       0.41490140       0.31833888
K       10.65540003       3.55187997       6.54338001       1.00206854      -0.31368118      -0.14245790
K       12.06250002       7.85089002       0.34170103      -0.36000686       0.36125983       0.78777717
K        3.66155006       4.60977000       4.64805000      -0.03481070      -0.37668867      -0.00709011
K        3.45883001       2.57276002       9.03480000      -0.27333697       0.68331284      -0.14630943
K        8.07401997       5.55203998      11.98549999       0.07947386      -0.00169387       0.14587130
K        0.07213886       5.05724004       2.77243994       1.55761554      -0.03239105      -1.31402258
K        4.14241001       6.63495005       8.07698999      -0.07664641      -0.06064606      -1.08300455
K        7.53764998      10.58519999       2.20550995       0.85514960      -0.50516442       0.10373591
K        5.47084006      10.74499999      10.69320005      -0.07877274      -0.08227823       0.29913565
K        8.62302004       0.41567297       9.12755003      -1.09045152       0.20935932       0.11751694
K        1.05270994      10.96660001       9.23428001       1.06476356       1.82951043       1.38744410
K       10.95119995       0.87913201       1.89237004       0.29156194      -0.57312786       0.92027172
K        9.34182999      10.21279998       7.16955000      -1.68030106       0.02078275      -0.53601504
K        0.61747102      10.50460005       5.70869004       0.14950351       0.51014222      -1.06659795
K        6.62344003       1.70550001       1.00449005      -0.08579852      -0.36905044       0.08752002
K        3.29221003       7.41158995      11.80960005      -0.40192755       0.75801720       0.50105165
Li       2.00182000      12.22010000       1.40955006       0.65401581       0.49769530      -1.73845513
Li       3.33483996       1.22352000       3.92004000      -5.44438533      -1.33380566      -0.29130736
Li       7.67669002       4.95595000       6.78896005      -0.53295878       0.11753474      -0.85055865
Li       4.50261004       4.48300004       0.38538796      -0.12223756       0.09801058       0.13300424
Li      10.33290000       7.16087002       4.50664998       0.29603355       0.85410316      -0.80213919
Li       1.82215002       2.61015003      12.33303644      -0.84833078      -2.34831215       0.04536482
Li       7.23951998       1.55137994       5.78940005      -0.62021305      -0.81001717      -0.16265671
Li      10.77909996       2.00306005      11.39579999      -0.73364991      -1.63214543      -0.90531113
Li       4.90243995       7.31479005       2.41974995       1.56694076       1.28998192       0.47300954
Li       0.73820403       8.23508000       7.99183997       1.17978476      -1.88627510       0.47937183
Li       9.47100994       6.72183004       8.70218995       0.40816961       0.58609135       0.48155694
Li       4.84546997      10.99190000       5.52233002      -0.08061917       0.09947777      -0.31731086
Li       8.32108005       4.46939994       3.36238005       1.08585978       0.31312164      -0.43126718
Li       6.14388999       3.97757994       8.87725003       0.61380014       0.13228594       1.38196483
Li       2.44975997       9.41748996       2.69841997       0.19983085      -0.16574799       0.15888258
Li       0.59011098       5.24412001       9.68264004       0.13382834      -1.28516502       0.14488649
64
Lattice="12.40919302 0.0 0.0 0.0 12.40919302 0.0 0.0 0.0 12.40919302" Properties=species:S:1:pos:R:3:forces:R:3 energy=-539.54689045 stress="-0.012820266145029497 -0.002397035745086813 -0.004904702826131764 -0.002397035745086813 -0.012071606743545363 0.00026665415938142745 -0.004904702826131764 0.00026665415938142745 -0.010380057862594421" free_energy=-539.54689045 pbc="T T T" config_type=melt 
Cl       9.29213006       1.00401999       8.60099000      -1.00963063      -1.48654770       1.10049657
Cl      12.12490002       6.57928998       9.28739000      -0.82887679       0.81542156      -0.00328885
Cl       0.44737796       3.22168003       8.32395998       0.51950458      -0.48600697      -0.05549325
Cl       4.98931001       3.89378997      10.12489996       0.26526168       0.49045447      -0.15924561
Cl       2.45881000       2.73656000       2.87704001       0.13848842       0.23083308      -0.05859480
Cl       6.59700994       8.24310999      10.89810002      -1.47077751       0.41572504      -1.02758598
Cl       8.80956000       8.15382002       0.54250795       0.86655796       0.43539496       2.35527945
Cl       6.12750998       5.14335997       0.90086299      -0.85170420      -1.57464194      -1.15966908
Cl       5.23870997       7.65894996       2.11833996      -0.73991211       1.46533812       1.30580359
Cl       8.37938006       8.39390998       8.17201003       0.23340337       0.02447708       0.18271796
Cl       2.32722999      10.63439996       3.42145004      -0.13839557      -0.05251566       0.74935146
Cl       6.92259006       1.33323998       4.33497996      -0.15209733       0.02966999       0.17665007
Cl       0.84643701      10.89140005       9.64836002       1.65957983       0.45904819       0.58921225
Cl       1.37946000       5.70502995       6.10518994       2.51257030      -0.44659760      -0.26299001
Cl      11.38450006       0.35214895       6.20019001       0.32825710      -0.14847608       0.20777095
Cl       8.82091999       6.60035000       4.32949001      -0.37504399      -0.52563340      -0.35230276
Cl       3.23434001       1.06549004       5.85348001      -0.04576695      -0.55221943       0.44119200
Cl      12.35380000       7.08977006       3.28531995      -0.27467282      -0.00506500      -0.77772399
Cl       3.49145005       7.95429000       8.60901999       0.87142611       1.85422993      -0.83942155
Cl       9.57147998      11.35719996       3.36161006      -0.86240217      -0.51669821      -3.08116754
Cl       8.38644995      12.33456128      12.00410000       3.19161917       0.80716725       2.81943257
Cl      11.97940000       0.67356306       1.75321000       0.65715040       0.18695309      -0.22211767
Cl       6.21949995       6.33518006       7.03564997      -1.53211490      -0.23331544      -0.38807773
Cl       9.62762004       4.54730001       0.83812397      -0.01316723      -0.14517017      -0.41015424
Cl       7.64118000       9.84049999       4.98177999      -0.84304117      -1.01939129       0.87210023
Cl       9.88644999       4.08628000       8.71366001      -0.93268624       2.54895352       0.94790896
Cl      11.17180004       9.35423000       6.05921996       0.33411115      -0.64461348      -1.02862546
Cl      10.19709999       2.95594001       4.18325003      -0.19548152       1.10769800       0.34743299
Cl       3.27214995       0.21719103       0.62020005       0.27671065       0.04549664      -0.48999517
Cl       5.36137000      11.54140003       9.68056001      -0.82619878      -0.26416602      -0.61738596
Cl       0.76015701       3.91337999      11.70460003      -0.00769757       0.81836222      -0.46407569
Cl       2.76508998       8.07358999      12.29720005       0.06924756       0.40098043      -0.03311471
K       10.91600004      10.33209998       8.55649002      -1.47536211      -0.07557348       0.29215600
K        6.09220000       2.43511005       1.87604004      -0.02450169      -0.19253737      -0.34089175
K        2.73237004       5.42701997       2.17856004      -0.14926318       0.94658564      -0.34947272
K        3.70173996       3.75923001       5.89230006       0.12631496       0.57301130       0.16241371
K        7.99077997       4.35723995      10.84629996      -0.59745296      -0.24724067       0.32716619
K        8.00743001       4.37696994       6.67221995       0.49289193      -1.13407474      -0.82320435
K       11.62199998       9.93593004       1.53584003      -0.00840249       0.00798818      -0.07799169
K        4.26234002       7.91973995       5.20331002      -0.15079345       0.08829534       0.09199272
K        6.92044997      10.90889999       2.39128004      -0.15124565       0.03117171      -0.36461230
K       11.28020005       6.10584998       5.87175999      -1.05289083       0.21691305       0.63134415
K        2.30433999       5.98043002       9.84514004       0.11831629      -1.25363796       0.58513797
K        3.65612004       1.59687998       9.52696001      -0.50626497      -0.49897606      -0.10100366
K        2.08145996      10.93079998       6.79665003      -0.43740275      -0.03057454      -0.21642876
K        0.43948398       2.60897997       5.27319003       0.33006042       0.14444113      -0.04029075
K        7.27810004      12.40649998       6.93023003      -0.33385431      -0.50614797      -0.29047860
K       12.12469998       1.37355000      10.37169995      -0.33332051      -0.73429726       0.59030738
Li       2.34494001       0.46918402       2.63734999      -0.34894321      -0.29309720       0.08966049
Li       6.93894997      12.01409995      10.99960002      -2.87763948      -0.77205703      -2.19715689
Li       9.75925998       8.61397002       4.46988005      -0.17197183       0.48235569      -0.14624506
Li       8.50818996       7.55802997      11.08439998       0.87456992      -0.26177965      -1.36598723
Li       5.88887003       7.91829999       8.61554003       0.23051564       0.24640001       0.50876644
Li       3.07999000       9.94165998      10.17159997      -0.06716232      -0.30505649       0.02980541
Li       5.14892996       7.62493003      12.27020001      -0.65860888      -0.51329924       0.39446400
Li       1.47783003       2.68584996       0.66345105       0.41102342      -1.70812744       1.67758766
Li      10.59110006       2.40129004       8.10399003       1.96193821      -0.84019531      -1.62755482
Li      10.48429997      11.21449995       4.98346999       1.50254874      -0.37309890       2.88334711
Li      10.62549996       5.63396994       2.38501997       0.18266519       0.20640079       0.36761237
Li      10.21590005       0.93693403       3.40372004       0.46224038       0.85415823      -0.42560599
Li       3.04598000       9.59443997       1.74246004       0.31463135      -0.42403104      -0.83102874
Li       7.78044006       7.51713001       6.13054006       0.30067993       1.09961805      -0.00556593
Li      11.74450006       4.64062000      10.20270001      -0.31180033       0.22994307      -0.64799256
Li       7.13436994       6.52083003       1.94266996       1.52426376       1.00137496       0.55543119
64
Lattice="12.40919302 0.0 0.0 0.0 12.40919302 0.0 0.0 0.0 12.40919302" Properties=species:S:1:pos:R:3:forces:R:3 energy=-537.08252704 stress="-0.020546350079408176 0.00021302995285849076 0.004276354105441207 0.00021302995285849076 -0.01819252767865629 -0.00024713933211825836 0.004276354105441207 -0.00024713933211825836 -0.00975264890720842" free_energy=-537.08252704 pbc="T T T" config_type=melt 
Cl       3.91187004       5.97824005       3.43823000      -1.33088825       0.30790674      -0.84695637
Cl       9.04028995       4.23964001       4.27312001      -0.53690272       0.01866517      -0.41948931
Cl      11.66670000       3.08202995       8.02806004      -0.14206003       0.32599121      -0.30504890
Cl       5.29176994       5.22625995       9.96352994       0.61633856      -0.53532550       0.79157203
Cl      11.83150004       9.36381003       9.08553995      -1.24085929       0.15923352       0.41629012
Cl       8.94865005      12.07700004       7.82195997      -2.99061754       0.05519385      -0.14087997
Cl       6.65552996       0.87358498      10.15890003       0.38833081       0.36673275       2.42508657
Cl       1.28544001       1.29410994       5.77044004      -0.98611679       1.50658348      -0.35452607
Cl       1.91000996       0.90990197       9.85199996      -0.26930048       0.02581673      -0.14597897
Cl       7.81807999      11.46889994       4.36777994      -0.66492498      -0.16916947      -0.63900156
Cl       4.56766003      11.73439997       0.49076199       0.63693484       0.26902516       0.42690368
Cl       9.97889004       0.32033600      11.97350005      -4.69599763      -1.74902475       1.00188729
Cl      12.15310004      10.81870005       4.98273996      -0.81243374       3.18206801       0.22699566
Cl       3.64849000       3.41940997       1.14301995      -0.74677565       1.83644681      -0.16757475
Cl       9.71887005       9.59641005       1.62111998      -0.07067437      -0.00770391      -0.37798786
Cl       4.69020006       8.61783995      11.14780004      -0.02242968      -0.79782263       0.37218404
Cl       8.14119999       7.89651999      11.34100001       0.01049051       1.09826881      -0.70254635
Cl       6.74600997       6.57623000       6.68683996       0.59847284      -0.98628947      -0.55261158
Cl       4.31336005       1.51526000       4.35704003       0.46403997       0.43191563      -1.30615536
Cl       1.51439000      12.26229994       1.88600996       0.30122129      -0.29600909      -0.54129799
Cl      10.87420004       7.38623002       5.55738003      -0.24378499      -0.78708531       0.26553801
Cl       2.00407003       8.76109999       6.74916997       0.42380100      -0.43120371       0.15189825
Cl       7.12841005       5.75503006       1.46968997       0.24354262       1.43503672      -0.03813000
Cl       6.57846998       2.40983997       7.42282995       0.08955981       0.29612816      -0.88065793
Cl      11.74170005       2.62110003       3.07973003       1.02711495       0.60580040       0.32113212
Cl       4.88085999      11.10419997       8.54930001      -0.01341230      -0.39669267      -0.22718414
Cl       1.35631003       5.75083005      10.17219996       1.06911347      -0.19257546       0.86444202
Cl       3.10692006       3.21047999       7.67013995       2.61124536       0.77048975      -3.48879009
Cl      10.41210006       4.96389003      10.80020005      -0.03266752       0.42309528       0.84881451
Cl       1.21658996       8.51522995       3.13159003       1.25108523      -0.40681133      -0.94540177
Cl       6.71742999       1.89167004       2.15383000       0.48452379      -0.38460645      -0.32774051
Cl       4.93319005       9.66833001       3.43870999      -0.00056256       0.12041089       0.20223427
K       11.35999997      11.97940000       8.01892998       2.98887770       0.26125282      -0.22726243
K       10.84130004       4.95147996       2.00701994      -0.29107151       0.89082552      -0.24915311
K       11.98980002       1.37956995      11.61210005       4.61502118       2.42060289      -0.61325763
K        2.29543999      11.84219999       7.23031000       0.48387906      -2.00570453       1.05125081
K        3.39880997       6.24402995       0.32118206      -0.06741706      -0.15064615      -0.29239822
K       10.99369995       0.14673002       2.65120001      -1.00409407      -2.17667513      -0.37572174
K        8.48191995       1.54254000       5.21395003       0.20881659       0.17912207       0.43915340
K        8.98131005       3.31500994       9.12724998      -0.82679633      -0.80508636      -0.09442517
K        1.93361994       4.21600000       4.38984994      -0.53404236      -0.45311559       0.09625495
K       12.08289999       6.62720002       8.31389997      -0.48807729       0.00975353      -1.11523695
K        8.80202005      10.37640005      10.69559999       0.54809456       1.22139962      -0.59757782
K        6.91093001       8.88593002       1.31345004      -0.21032596       0.36948807       0.57828340
K        1.77856000       8.92482006      10.30869996       0.67023139      -0.03355553       0.18575731
K        5.92947999       4.61990000       3.97929998       1.89520861      -1.32068586       1.12684054
K        4.60722996       7.27400997       8.10787002      -1.01423199       0.65890000       0.40281916
K        8.04644004       8.75669001       5.66006995       0.63944988       0.74026646      -0.34748031
Li       4.89684998       3.13279000       8.68713996       1.11070175       0.29052111       1.01926508
Li       7.37446003       0.57591598       0.18656701       0.03928343       0.00241545      -0.48220628
Li       1.09858995       0.63508599       3.78898999      -0.19449761      -0.10337773       0.05388703
Li       6.94876006       3.81228006       1.16409994      -0.42416655      -1.39433090      -0.53310270
Li       4.91748994      10.70239998      10.86510001      -0.06644764       1.04211456      -0.39768593
Li       6.62175995       0.20137899       8.17577002       0.19215359      -0.36166177      -0.62547964
Li       9.76270999       4.78926004       6.16045999       0.50895713       0.79105974       0.15601134
Li       3.04782004      10.41800001       2.47334997      -0.74365924       0.09453033      -0.28312320
Li       0.18933996       8.95697997       4.97911002       0.42822139      -2.29764658       0.50886722
Li       3.36399995       1.68471002       6.05882001      -0.30278335       0.48539205       1.48299100
Li       7.11630997       6.29545997      11.65539994      -1.74259452      -2.06571166      -0.27510225
Li       9.96811998       7.05981998      11.19679997       1.34094837      -0.27909374      -0.00230897
Li       1.72372005       3.16734005       8.83750004      -3.76433293      -0.30437498       3.09318199
Li       3.69645004       7.88358006       4.04390000      -0.92286311       1.52598502       0.55253849
Li       4.48937998       1.69253997       1.33832005       0.40303020      -2.09536171      -0.02692056
Li       5.54747998       0.07036645       3.47876997       1.10912020      -1.23109031      -0.11567794
64
Lattice="12.40919302 0.0 0.0 0.0 12.40919302 0.0 0.0 0.0 12.40919302" Properties=species:S:1:pos:R:3:forces:R:3 energy=-537.25776186 stress="-0.015881633684864716 -0.0020690606309963205 0.008780726873280313 -0.0020690606309963205 -0.01258702323338758 -0.0002857133939274618 0.008780726873280313 -0.0002857133939274618 -0.014096165857621284" free_energy=-537.25776186 pbc="T T T" config_type=melt 
Cl       6.21978003       9.14181999      11.48069997      -0.56388499       0.05531462       0.31879595
Cl       7.40353005       2.16332999       2.66360003      -0.50480572      -0.39224071       0.00705834
Cl       6.36496002      12.34939994       0.34606398       0.55001537      -0.10546839      -1.58506729
Cl       0.37319705       3.24358002       0.24008202      -0.10065896       0.32652189      -0.10815579
Cl      10.21069997       8.57787006       0.87353906       0.89606049      -0.27387163      -1.49711886
Cl       8.52567997      11.14440004       9.98116006       2.95784158      -1.35571382      -0.45365703
Cl       8.63602004       6.74417999       9.13790005      -0.23150238       0.40795484      -0.12873994
Cl       2.98781005       9.27599004       6.06269999       0.52713505       3.34475813       2.02972339
Cl       7.70520002       4.51040004       5.49083995      -0.11519761      -0.00345993       0.56669612
Cl       1.51095004       0.56634204       5.77979000       1.60533509       1.08097203       0.15812993
Cl      10.58530001       3.45037004       2.84825006       0.38044065       0.78923934       0.09227107
Cl       9.99370004       0.81271900       4.47972005       0.77636575      -0.30072856       0.64883037
Cl       6.80451994       9.82464998       5.79405002       0.55223121      -0.17177417      -0.86532943
Cl       8.27062006       4.00287000      11.50630001       0.11545071      -0.44881957       0.18381856
Cl       8.68293001       1.50161002       8.15346003      -0.19514655       0.11479692      -0.13399099
Cl       4.35233000       6.66035006       1.32406003      -1.12763439       1.03740848       1.05461239
Cl      10.83380005       4.19280995       7.87279001       1.22117723       0.30791030      -0.11441101
Cl       4.78139001       3.28789995       0.62756602      -0.33181478      -0.27652308      -0.58476216
Cl       5.46820000      11.95809999       7.67040997      -0.28291802       0.99349852       1.57454442
Cl       3.72517000       5.86564002       6.10021001       1.32538237       0.75900617      -0.46704529
Cl      12.19150004      12.28149994       8.47972005      -0.58679306      -0.87763884      -0.12188975
Cl       1.94589002       2.49977001       9.32908004       0.87500063       0.04757172       0.29574914
Cl       1.08700001       8.08781999      11.93760000       0.85813944      -1.66769966      -0.69323722
Cl       8.28427997       7.40066005       2.71223997      -0.35113133      -0.97486517       0.83047319
Cl       4.34660998       0.57103706       3.53947996      -2.05998655       0.43339759       2.78692784
Cl       3.10031005       9.87813000       3.17127997       0.55970326       0.08595013      -0.86611715
Cl       0.16082699       5.88812995       4.49749001       0.51760989       1.30421816       0.08248544
Cl      11.93550000       8.71806999       7.06591996      -3.48449995      -4.73247329       3.67918136
Cl       4.13779999       6.61445999      10.00660002      -0.92795861       0.13495452      -0.70904553
Cl      12.15510003       0.09910180       0.74209605      -0.06938625      -1.47055643      -0.57791777
Cl      11.92320001      10.38390004       3.82243996       0.74706368       0.83840130       2.83087706
Cl       3.33970994      10.72149996      11.13550005       0.27165660       0.11739997       2.42743390
K       11.73890004       6.36663997       9.75811002      -0.24015255      -0.01000407      -0.23722702
K        2.88508005      10.67460003       8.71919005      -0.63805771       0.00369348      -2.46555725
K        6.01213005       6.05075999      11.82889994       1.86128349      -0.88626961      -0.39100292
K        2.33802996       5.07572006      12.12990006       0.60834817       0.27171541      -0.22139458
K        0.65511294       9.02882001       2.00887003       0.34665602      -0.74134517      -0.29763302
K        2.86175995       3.63723002       6.94371001      -0.63741622      -1.58123162       0.38477571
K        5.90214998       7.80856003       7.69078996      -0.30541475      -0.36870569       0.13423707
K        2.31448996       0.94569504      11.81980003      -0.10641984       0.13335709       0.71780638
K       11.65019999       2.23691005      10.11290002      -0.93089862       0.05526838       0.07457537
K       11.95020005       9.92290001      10.85150003      -0.94406426       1.24079517      -0.26744742
K        9.53777003       7.07406995       5.54049000       0.23584894      -0.07872729       0.00543842
K        6.19597001       9.15987995       2.10711994      -0.63564308       0.16436319       0.03909014
K        9.62224996      10.62710000       2.69382001      -1.23228745       0.60298919      -0.41716406
K        4.82435002       4.81960995       3.42391004       0.54292916      -0.47256835       0.05494756
K        7.47615001       0.46469301       5.52672995      -0.58064090       0.11754762       0.23389144
K        5.13045006       1.80954997      10.09790004       0.08489414       0.37209719       0.05578536
Li       7.80451004       8.40733003      10.40069998       1.11245099       0.06830871      -0.31130071
Li       9.82697000       6.03485004       1.45936999      -0.22342156       0.22918659       0.27587569
Li       7.63123006       2.09884003       0.35795695      -0.17489708       0.44424939       0.26837686
Li       3.34530004       8.21589998      12.37788723       0.28464145       0.42930651      -0.55666195
Li       2.65248002       7.52545000       5.52397002      -1.34074476      -2.27305308      -1.32168400
Li       0.03620692       3.88437995       4.61125005      -0.96196154      -0.97343534      -0.36738693
Li      11.83939998       1.89442004       1.71658998      -0.45101691       0.68947469       0.44098695
Li       8.78147005       3.86543000       7.61904001      -0.66209878      -0.26101359      -0.10796710
Li       5.65480994       0.27024294       2.24263999       1.80718326       0.50691329      -1.29440440
Li       4.93861994      11.09140001       5.86118004      -0.54064539      -0.77583429      -0.93320166
Li       0.39886398       9.94555994       6.25475000       3.41749294       4.34020580      -3.65617183
Li       2.36632006      11.82419996       4.28424001       0.47836932      -0.82116176      -1.24650894
Li      12.02350004       0.24902198       6.16679997      -2.25213293       0.03895777       0.03555551
Li       8.72970994       2.99521995       4.20542997       0.68227709      -0.03320532      -0.29287470
Li       9.69856997      11.78220005       8.25875997       0.27332642       0.55056154      -0.04623214
Li       6.76004998      11.60059995      10.44270001      -2.68107691      -0.10987721       1.04935493
64
Lattice="12.40919302 0.0 0.0 0.0 12.40919302 0.0 0.0 0.0 12.40919302" Properties=species:S:1:pos:R:3:forces:R:3 energy=-538.51806425 stress="-0.00573411427974321 -0.0028619975790873803 -0.0033774820639300143 -0.0028619975790873803 -0.010819578281790391 -0.004118656722568498 -0.0033774820639300143 -0.004118656722568498 -0.008981525078561427" free_energy=-538.51806425 pbc="T T T" config_type=melt 
Cl       6.77371002       7.42652999       4.05768004      -0.68728276      -0.17646252       0.07676508
Cl       9.06484005       3.82298001       4.77433997      -0.51179428      -0.36448158       0.01150014
Cl       4.81424000       3.39991004      10.08379997      -0.15502286      -1.34467751      -0.67975628
Cl       0.53820196       4.97016995       5.30103005       0.38262217       0.12613500      -0.26995318
Cl       3.67891002       6.07014998      10.83380005      -1.35629645       1.65009471       0.82978963
Cl      12.29860006       9.12485997      10.40959998      -0.21551751       0.27112994       0.82305719
Cl      10.13169995       3.26937005       9.61129004      -0.48852208       0.60355380       0.55313775
Cl       1.18797995       9.31203999       4.25677003       1.70888795      -1.15961537      -1.05323379
Cl       6.85160997       5.83207005      10.84250001       1.23231367       0.11038079       0.13865521
Cl       1.33021995       0.70564802       3.68748999       0.38341738      -0.23932066       0.35727810
Cl       9.74690998       5.77179004       7.34629004       0.07871225      -0.04432035       0.58085772
Cl      11.14840002       0.95693194       5.93135005      -0.53658505      -0.05335885       0.14339283
Cl      10.54440005      12.33470001       9.70500004       0.76144777      -0.17370292      -0.11839673
Cl       9.13011005       1.72700005       2.19298001       0.32754418       0.30771836       0.16975676
Cl       7.24469002       0.66544906       8.26145996      -1.23798955       1.05228118      -1.08189404
Cl       6.45877004       4.94672005       1.48502997      -1.05474061       0.46176556      -0.51201487
Cl       9.41919002       9.53577997       6.82912997      -0.35053988      -0.55970340      -0.42089408
Cl       2.75767995      10.81230001       0.05281824       0.12024959       0.08620992       0.45445924
Cl       0.54651004       3.43061001       8.26965003       0.50057459       0.31658820       0.46307166
Cl       2.73522005       3.77318998       1.56416997       0.35874144      -0.03741539       0.13689083
Cl       8.11967997       0.42215405      11.73680003      -0.29663414      -0.30775155       0.42438806
Cl       2.40640002       0.64383497       8.85371997      -1.94301625      -1.27937335       0.01731489
Cl       5.03932998       6.59020002       7.41669000      -0.36315538       0.30730714      -0.69804856
Cl       5.02233000      10.59990004       6.11831005      -0.21589449      -0.34620569       0.01690390
Cl       3.92082997       3.76924001       6.65226001       0.76079279       0.13640258       0.43205479
Cl       5.81065998       9.34437996      10.42659995      -0.19542018       0.12901432      -0.88459809
Cl       8.70917000       9.82746997       2.38950006      -0.52029877       1.02158171       0.66529664
Cl      12.33560005       2.33653998      12.39539995      -0.69133393      -1.62451760      -0.02907377
Cl       3.20808005       7.35579003       2.01915005       0.67886409      -0.80011838      -0.25467905
Cl      10.06780005       6.52534995       1.81369005      -0.09095515      -0.03439062       0.11644514
Cl       4.82201994       0.73440905       2.92946004       0.74021959       0.11381029      -0.01738546
Cl       0.92749796       9.81431995       7.50927995       0.59006200      -0.45900866      -1.65469884
K        4.59335996      12.22150000      10.12190004       1.19135151      -0.37101231       0.88298700
K        2.74412005       9.13812999       9.50140998       0.62427752      -0.12165678       0.95522767
K        9.26089004       4.35721997       0.13299702      -0.28533015      -0.45862054      -0.44312091
K       10.09100003       9.58007000       0.05013786       0.53843016      -0.11684358      -0.50937277
K        4.05134999       5.23626995       3.83095006       0.55814991      -0.14526859      -0.33811189
K        2.68171000       7.08653995       5.79449998      -0.59447347       0.38738798       0.02022937
K       11.24650003       7.28259998       8.65852994       1.15460500       0.96085537       0.55887574
K       12.09340003       2.99849002       3.24937995      -0.60894634      -0.07122045      -0.09476906
K        7.96773995      10.64160002       8.95699002       0.29665114      -0.56316716       0.71444838
K        0.75613494       4.74114005      11.90099996       0.75869328       1.49166356      -0.44798723
K       11.37420006      10.41419994       4.82450004      -1.61877860       1.24887161       0.24511532
K        5.54262997       2.59932996       0.60205496      -0.17729089      -1.18747444      -0.50823223
K        9.28387000       6.56376000       4.97055004       0.80549609       1.46360132      -1.53388990
K        6.32673002       8.43311000       0.53925501       0.04295300      -0.31553542       0.84913036
K        7.76565003       4.21613997       7.66282002      -1.85416523      -1.20790702       0.43991909
K        8.12442996       0.66732198       5.03572002       0.16269175       0.26398807       0.36910882
Li       6.76578005       9.13544997       5.74197001      -0.06599317      -0.01555500      -0.18879531
Li       4.37892997       5.74157998       0.46152395      -0.23258523      -0.17741263       0.31486027
Li       2.72212997       2.98096998       5.24121998      -1.66024712      -1.11833681      -0.71546521
Li       8.93924003       1.72902002       8.78711996       0.94896772      -0.67728606       0.55718167
Li       2.33635000      10.63340002       5.52834997       0.47519669       0.66481961       0.50100834
Li       8.03491004      12.31640005       2.12677995      -0.21178609      -0.74577486      -0.98994215
Li      10.93829998       4.03102001       6.71517995       0.93625730      -0.78013305      -0.10631305
Li       3.62117005       2.14438996       8.37035001       0.83198691       1.74336949      -0.22733596
Li      10.55580000       0.95793200      11.77710000      -0.66199499       0.18910885       0.06328253
Li       3.66541006       5.23708995       8.98106001       0.33831770      -1.06315935      -0.97514831
Li       2.80319997       0.76868994       2.04654000      -0.13878146      -0.14329963      -0.21533452
Li      12.13359998      11.11260000       8.59654999      -0.57100777       0.48132991       0.61865703
Li       0.32661095       1.65668001       9.97640001      -0.03319376       0.38705778      -0.53948732
Li       6.25097996       6.73326002       9.03234000       0.31329711       0.78409202       1.21329489
Li       2.45732002       9.27756998       2.30768997      -0.30296073       1.03453065      -0.47140260
Li       7.62300996       5.43080999       3.00332005       1.32676207       0.48943834       1.26499312
64
Lattice="12.40919302 0.0 0.0 0.0 12.40919302 0.0 0.0 0.0 12.40919302" Properties=species:S:1:pos:R:3:forces:R:3 energy=-538.20139823 stress="-0.01096569850159681 0.001314059800066707 0.0007016905036591083 0.001314059800066707 -0.013883359925008337 -0.003929643591264168 0.0007016905036591083 -0.003929643591264168 -0.02623795532543075" free_energy=-538.20139823 pbc="T T T" config_type=melt 
Cl       2.87418999       0.60434396       6.26629005      -0.08352142      -0.54278497      -0.36974888
Cl       3.88984000      12.02350004       1.30088003      -1.91239491       0.30001284       1.51923779
Cl       8.19145003      12.32901958       2.02959996      -0.16156242      -0.93498136       0.14754829
Cl       5.80276996       3.17899005       5.63215994      -0.83505652      -0.93228753       1.48084342
Cl       3.95174003       6.38023002       0.89515302      -0.22084030      -0.00451137       0.45244418
Cl       3.74447002       1.31777998      10.64090002      -0.54042764       0.39607442      -0.83518570
Cl      11.69230004       6.47153004       4.43934996       0.13443490       0.00756921      -0.51832953
Cl       8.96691998       1.43989997       4.74910998      -0.72926437       0.18446272      -1.06405485
Cl      11.88049997       6.31778001       7.88117999      -0.23626076       0.03813319       0.28639732
Cl       0.55322702       5.01553001      12.14130001      -0.49140878      -0.27189138       0.06855384
Cl       3.14780996       2.28513999       3.08190995       0.23172388       0.06222955       1.03136700
Cl       5.49713005       6.48029999      10.48960006       0.32567459      -0.03239065      -0.23511888
Cl       0.91735294       8.89761005      12.08920001       0.35000405      -0.00815758      -0.29767063
Cl      11.58930002       1.18626003      11.87569997       0.54849751      -0.84694174       0.39050532
Cl      11.42270002      10.33619997       1.99355001       0.51463791       1.57448385      -1.26166134
Cl       4.96958994      11.94839997       8.38651001       3.18036172      -3.34693632      -0.48846790
Cl      12.19384004      11.30569995       5.25696997       0.34217175       0.08094329       0.24925338
Cl      11.63590001       3.11056997       3.46971001      -0.62831331      -0.61485651      -0.94991634
Cl       8.31283005       4.00413003       8.80505000       0.50378605       0.11561330      -0.45771598
Cl       9.72738995       9.35101999      11.43469996      -0.07298741       0.44459656      -0.06593403
Cl       2.88399995       9.07560999       4.72179995       0.10061821      -0.26661358       0.80471303
Cl       8.05493997       5.96459006       1.14542001      -0.02606700       0.60599421      -0.88268042
Cl       8.66335997       9.21598998       6.51866996      -0.49831314       0.91818468       0.58560010
Cl      11.96699999       2.05175000       6.62265006       4.97067385       0.94902066       2.74107826
Cl       6.90534997       1.16219997      11.56089996      -1.19380517       0.08426889      -0.21329936
Cl       2.73020997       4.50722006       5.62349001      -0.79674234       1.15628797       0.33574868
Cl       7.12153002       9.05669999       2.43733006       0.22324921       0.06402818       0.56286495
Cl      10.09949995       0.26880695       8.10671000      -0.94148729      -0.98302769       0.69144172
Cl       9.33340998       3.21476997       0.72358898       0.48813403       0.58445156       0.63715144
Cl       1.86308001       9.97508005       8.33596997      -0.00884322       0.30811132      -0.47599340
Cl       5.30607998       9.63363999      12.20710000      -0.00477414       0.22134921      -0.94238893
Cl       7.64946003       5.23602996       4.28429995       0.12173985      -0.34148200       0.02556946
K        1.04378996       0.17150001       2.58473998      -0.02957325      -0.07158568       0.33997507
K        7.18530000       3.95063995      11.36240003      -0.51884887       0.89909693       0.20893425
K        3.08487004       8.96184003       2.24721998       0.32955790      -0.10167738      -2.66427595
K       11.29549996      10.07100001       8.39904999      -0.28170432      -0.57456323      -0.43962370
K        7.63414001       1.58283005       7.06726003      -0.02575306      -0.17318625       1.25163235
K        7.33486006      11.53240002       9.97674995       0.70656575      -1.39217991      -0.85362797
K        6.09498003      11.86259996       4.25060006       0.15673211       0.05728396      -0.38654989
K       11.60219999       2.31588004       9.12967995      -0.18769081       1.09078877       2.01039515
K        5.69451998       5.11276994       8.08506998      -0.19232174      -0.00785058      -0.52861587
K       11.28840004       7.77207998       1.40011001      -0.22769216      -1.66716123       0.05265465
K        1.88026996       7.34510000       6.58861996      -0.56630012      -0.58709649       0.40012383
K        9.91319999       9.94999002       4.07731995      -0.71529142       0.07625595       1.14607165
K        3.12682999       2.89412995       0.45459205      -0.18280094       0.73160186      -0.44371858
K       10.55880005       6.35414999      10.39779995      -0.13779209      -0.14433135       0.23120857
K        9.27392999       6.65203999       6.11575997       0.75833229      -0.86771666       0.52938120
K        2.78990005      10.96209994      10.93170002       0.26121323      -0.16013296      -0.02070171
Li       6.10783000       3.66572004       3.70026997      -0.27281071       0.34836061      -1.00538433
Li      10.86629998       2.01804005       5.29196998      -3.07177940      -0.47701548      -4.25829827
Li      11.39629996       2.79759002       1.34323000       0.16857427      -0.03677038      -1.01730633
Li       0.44680900       4.06972006       4.78856004       1.13314509       1.18122575       1.12485146
Li       8.17893002       1.51563005       0.65558697       0.64195641      -0.46265009       0.64791657
Li       6.05747994       7.67524001      12.36109995       0.07873601      -1.13682161       0.15332751
Li       3.48660997      10.45650003       6.00434998      -0.20516197       1.33194584       1.85097071
Li       9.25534003       3.73265995       3.35972994       0.12592760      -0.12109357      -0.21165432
Li       0.80120600       0.09560700       6.92218999      -0.46605358      -0.38005267      -0.46260705
Li       3.50420000       2.61963996       5.91128997       0.46311768      -0.00591426      -0.95485655
Li       5.48960996      11.67479998       0.24975598       1.69191171       0.61016610      -0.68123992
Li      11.51460002      11.11900004      11.84489998      -0.24716391      -0.18347099       0.67420888
Li       1.90240002       6.74199002      12.18810004       0.52174321       0.11463828      -0.03866409
Li       7.18750002       6.83336995       2.88677998      -0.16409343       0.48788784      -0.20641217
Li       3.77342005       0.90545402       8.25028995      -2.23474914       2.54409047       0.69116652
Li       8.66636002      10.20119999       1.09802000       0.03643027       0.10897549      -0.09143369
64
Lattice="12.40919302 0.0 0.0 0.0 12.40919302 0.0 0.0 0.0 12.40919302" Properties=species:S:1:pos:R:3:forces:R:3 energy=-537.62245684 stress="-0.011760620112276701 -0.001201925433812946 -0.006997199562431663 -0.001201925433812946 -0.015354062542565845 0.001229538831378259 -0.006997199562431663 0.001229538831378259 -0.01326510632104213" free_energy=-537.62245684 pbc="T T T" config_type=melt 
Cl       6.17171997      11.94040002      10.44259999      -0.03993474      -0.48816339       0.04179560
Cl       1.07111004       4.45403004       9.11974006      -0.16204490       0.11378678       0.12168487
Cl       7.90842003       3.11150997       1.61611001      -0.62949320      -0.52730094       0.82391314
Cl       9.71877996       9.25305996       9.58526002      -0.14122413      -0.07799224       0.23675811
Cl       0.35460597       3.38129005       5.55135003      -0.31803907      -0.12652122       0.19116681
Cl       8.19709000       1.87912000       4.79162995      -0.37004378       1.73814427       1.34649916
Cl       7.92868003       4.98500005       7.77048999       0.12633137       0.46832629       0.89755774
Cl       3.72787000       9.03623997       1.23744994       0.58714971       0.68581877       0.09590456
Cl       0.19340695       7.47336006       6.59141004      -0.15739760      -0.06901527      -0.01342987
Cl       5.16981004       7.37154002      10.27480003       0.06463792       1.07866760       0.89450432
Cl       9.84256997       9.64991005       4.94507000       0.23517220       0.05509990      -0.12104071
Cl       6.61184004       5.65005995       4.35854006       1.05336793       1.51386057      -0.89227564
Cl       5.12085999       2.70839001       4.48423004      -0.79995277      -0.03161995      -0.04244036
Cl       9.62880996      10.52129996       0.65620594      -0.79062556       2.54984788      -0.76376115
Cl       8.66289004       0.41098602       7.66079000       2.31033786      -2.15294897       1.72626010
Cl       2.47534003       9.14817995       8.70737004      -1.43133005      -1.19775370      -2.02958676
Cl       5.15760001      11.95509995       6.56562994      -0.22777308       0.22030729       0.15393765
Cl       1.65850999      12.09420005       9.20449001       0.18475008       0.38356200      -0.20128407
Cl       6.39907996      11.41749995       3.31838996       0.52622999      -1.43626999      -1.24692972
Cl      12.02130001       1.36678004       1.94078004      -0.42349056      -0.11955710       0.07042888
Cl       3.58721006       5.62699002       1.76226003       0.09854703      -2.36250600       0.91095148
Cl      10.42440005       3.51723995      12.36290003       3.42184077       3.13078022      -1.32573334
Cl      11.14999994       1.33682995       9.83137005      -2.24451063       0.12389239      -0.66110417
Cl       5.15524996       2.32545001       9.00676999       0.21065383       0.48812473      -0.47964452
Cl       5.28885006       8.26673002       6.36527000       0.33863225       0.47790711       0.42523692
Cl       2.66920005       1.63215001      11.87860000      -1.33003398      -0.15171128       0.07807981
Cl       0.11302094       6.45976997       2.96620006       0.47277567       0.00653570      -0.42780237
Cl       8.56925002       7.51969995       1.47400006       0.02969887      -0.29804922       0.25171650
Cl       6.84005999       4.54745004      11.66120000       0.23589386       0.00570994      -1.59027769
Cl       3.09867006       5.50675996       6.39692994       1.50495570       0.90226261      -0.43505228
Cl       2.76648998      11.46260005       3.86175005      -0.37395642      -0.15719719       0.92597286
Cl       0.49253204       8.34674996       0.10225597      -0.20990331      -0.27311729       0.91463059
K        5.17369995       2.47300996      12.28229996       0.50448588      -0.42635908       0.22560476
K        4.39317002       7.18921001       3.99301003      -1.32750840       0.30379575      -0.54155547
K       11.48489999      12.27180005       7.20682995       0.08647846       0.13840198      -0.14092698
K        7.26003002       8.63460998       4.00486999      -0.05923557       0.57243409      -0.01326118
K        8.84616004       7.96993997       7.29402997      -0.27768841      -0.09263271      -0.28646862
K        6.74378004       9.70647004      12.29973997      -0.17387952      -0.04937090       0.13070214
K        0.04980504       5.39203002      12.22710003       0.69344775       0.48797597      -0.11615586
K        9.03213997       0.02110692       3.25113995       0.96076542      -1.20978881      -0.95592359
K       10.44369994       4.36522005       8.49211001       1.23552585      -0.55635748       0.14383048
K        1.96176002      11.54050000       0.95928199       0.01370056       0.03871936       0.24197745
K        4.14041002       5.04315002       9.20842000      -0.07849874      -0.16118956       0.17973416
K       10.05540004       5.72273005       3.73564001      -0.64212970      -0.35402239       0.32953598
K        0.40444501       9.35715001       4.06520001      -0.00846367      -0.33513344      -0.01551735
K        3.15357999       2.76187997       6.69115998      -0.24266653      -0.88875987       0.14294654
K       12.35270004       9.82567001      10.39369996       0.11070494       0.55350192      -0.93190532
K        1.48707997       3.63470004       2.80461996       0.14688338      -0.14395564       0.12395301
Li       3.67841006       9.91994005       9.97013002       1.94190422       0.66492980       1.65585073
Li      10.45390005       8.87640000       1.17946997       1.21110613      -2.13678681       0.32491221
Li       3.21777994       7.77739000       7.08528997      -0.15220315      -0.39656164       0.22019562
Li       8.97125997      11.25639996       9.79938995      -0.62584934       0.86510734      -0.25608867
Li       4.71738997       0.24660901       8.62726002       0.17052824      -0.19650486       0.57920716
Li       3.55066995       7.07045999       0.49638298      -0.10155037       1.47894158      -1.89440593
Li       5.40665996       0.42841399       4.30053998      -0.79881319       0.88390503       0.86690854
Li       6.65017998       3.86520998       3.34906002       0.16804522      -1.49951890      -0.47533237
Li       6.82142995       4.77667998       6.14513997      -0.87245333      -1.05235835       0.03822657
Li       0.43558402       1.23498001      10.81139997       2.31586995       0.15135629       0.77010502
Li       9.93226995       2.58147996       1.48960003       0.31740636      -1.83004401       2.71842057
Li       1.08321000       5.23151003       6.69821001      -1.29336167       0.18634201       0.35786538
Li       9.05926001       2.74503002      11.38360002      -2.87232141      -1.24679061      -1.79986718
Li       7.19570995       6.22851002       0.36154804      -0.05123805       0.26537920       0.05367335
Li       3.09522998      10.99900004       6.45585003       0.24349810      -0.02698691      -0.28980694
Li       7.23135994       1.46133002       7.06858000      -2.29371064       1.53942130      -1.26307064
64
Lattice="12.40919302 0.0 0.0 0.0 12.40919302 0.0 0.0 0.0 12.40919302" Properties=species:S:1:pos:R:3:forces:R:3 energy=-532.48674583 stress="-0.020766967535318565 -0.0012106595208157965 -0.007699337239012095 -0.0012106595208157965 -0.016429869190611523 -0.0029828811305545673 -0.007699337239012095 -0.0029828811305545673 -0.014928658351073102" free_energy=-532.48674583 pbc="T T T" config_type=melt 
Cl      11.34629997      10.63499994       8.49679001       0.19554038       1.01597247      -0.07917402
Cl      10.09899999       1.37023997      11.25540003       0.18635523       0.29497680      -0.35245815
Cl       3.05424006       8.95294996       6.47930998      -0.82273877      -0.21825136      -0.83658120
Cl       7.29334994       9.81031997       9.87146999      -1.12592126       0.47884852       2.11402491
Cl       1.47276001      10.77789999       3.46573001       2.15968134      -0.22515903       4.17446464
Cl       5.97018996       1.80259003      11.46299999      -0.03697932       0.30711228      -0.10496855
Cl       2.75275003       2.52491997       0.43875097      -0.14717710       0.16576687      -0.00741647
Cl       7.35377006       4.46877998      10.67069995      -0.03154720       1.97433933       0.15870820
Cl      12.18499998       9.88557998       0.71952795      -0.66061310      -1.40592397      -2.26714084
Cl       3.92586004      11.08390002       0.97791403      -0.35588849      -0.62176712      -0.13960618
Cl       4.81820995       5.32628996       5.92818000      -0.35849326      -0.65922422      -0.38231167
Cl       7.27655001       6.41398005       3.01099998       0.36655648      -0.45660325      -0.20868415
Cl       0.67598595       6.87740000      12.00080002      -0.25498537       2.13971626      -1.07453465
Cl      11.13000004       0.81291606       2.86870996      -0.39116277      -0.37648543       2.02474289
Cl      10.49579994       4.96999001       6.78674997       2.27382801       0.30018602       1.31419423
Cl       9.22886005       7.40364000       0.25490294      -0.09626904       0.00241399      -1.45650847
Cl       4.26984001       7.81541003       2.55521999      -0.43955159       0.51409633      -0.37245955
Cl       0.34329797       8.03903002       9.42723999      -7.63956042       5.21933606      -2.62411754
Cl       7.49484000       1.80286998       4.09304996      -0.05766516      -0.12452831       0.11584175
Cl       7.57609998      12.07230006       0.48220498       0.53016756      -0.26139918       0.31830482
Cl       8.86726994      11.26020003       6.68787005      -0.57420469       0.94011793      -0.46493855
Cl       3.66094995       7.56156001      10.29740003       1.84401977       0.22849305       0.72593956
Cl       0.31333796       6.90283003       4.37860994       0.57752167      -0.25863067      -0.20184932
Cl       2.01490003       4.11593996       4.28340003       0.37815420       0.73978449       0.29225185
Cl       6.63063997       6.96909004       7.60776005       1.70972494       3.88588199      -0.30295077
Cl       7.88580999       2.42146006       7.79283001      -0.11032044      -0.25274490       0.20048700
Cl       4.65925997      11.98939995       4.97752996      -0.58073689      -0.00168004      -0.11615131
Cl       1.35474995       5.33402002       8.36864002       0.70835274      -0.64982062      -0.48993181
Cl      10.98250003       4.34853998       1.83930002      -1.71883991      -0.04339001       0.31738878
Cl       4.21511994       0.05844916       9.38902997      -0.15221086      -0.38063847      -0.85482149
Cl       9.83300000       9.23891001       3.88082000       0.56615607      -0.00482925      -0.21019463
Cl       0.96676995       1.74480004       6.74518005      -1.51022720      -0.24693090       0.27255401
K        3.47205994       2.33187003       7.06504003       1.11400633       0.73044745      -0.03946952
K       10.72169999       5.00501000      11.35299994       0.00889253      -0.02685332      -0.33761725
K        1.66556995      11.38459995       6.96060004      -0.19868511      -0.14165107       0.22008472
K        8.71610996       8.56433002       8.38420004       2.65495120      -1.01418554      -2.22308354
K        0.96623300       1.71981004       3.88170999       0.80695944      -0.36908915      -0.18965992
K        5.04561995       9.29008999       8.20962006       0.11812040       0.51099294       0.40191287
K        4.29479999       4.23144994      10.51309997      -0.43279523      -0.26519536       0.29249349
K        1.72478997       0.63992000      10.76310004      -0.15660038      -0.03209320       0.21117632
K        8.37129001       4.88967002       5.57043996      -2.33796937      -0.34250247      -1.35557766
K       10.82390000       9.18348000      10.94010005      -0.62207482       0.15850324      -0.17178506
K        7.93225996       9.53437997       1.55012003      -0.22748302       0.16002196       0.83239168
K        1.01812999       5.03833997       1.05767995       1.83485528      -2.56801607       2.64995092
K       12.06979998       7.83531003       6.89519999      -0.58360721       0.04780189      -0.25339943
K        6.21493002       7.27925000      11.94209995      -0.03351679       0.02248071      -0.06614376
K        5.02839996       0.92967006       1.98692996       0.38377124       0.57657820       0.05163591
K        7.37316004       3.37342994       1.29289000       0.45506626      -0.16918775      -0.01183842
Li       8.20088002       2.59192006      10.26539994      -0.22134074      -1.12345657      -0.21387256
Li       2.67537002       6.92119998       5.79999006      -0.04205155      -0.86364433      -0.27347024
Li      10.52790004       0.37969202       1.12468003      -1.44956529      -0.43246795      -3.00966966
Li       6.16619006       0.75198295       6.01529998       1.26726894       0.10989234      -0.05301546
Li       6.13036000       5.27505004       7.90459006      -1.09988663      -3.97764246       0.41447486
Li       0.13041305       4.52443000       5.86489001       0.45522223       0.09060773       0.11454818
Li      12.31869997       8.93114006       3.80451997      -0.64860182       0.09857431      -0.31775610
Li       3.58031998      10.40910001       3.48156005       0.93949750      -0.45373809      -0.11871444
Li       9.34835996       0.09220986       4.58211003      -0.25579489      -0.17943257       0.14942446
Li       0.34616201      10.88660005       2.09981006      -1.90211012       2.92676328      -0.62888288
Li       9.24478998       6.57804001       2.12159998       1.01657216      -0.59674152       1.07577671
Li       6.64027000      11.57739997      10.64199997      -0.67331869       1.80324418       0.97457239
Li       5.26098000       6.21078001       3.68485998      -0.60399215      -0.09888707       0.64612596
Li       9.85069005       0.63790797       8.33658001      -0.17577151      -0.57467257      -0.24594648
Li       1.71634998       7.26678000       9.81576996       6.52811185      -5.26018519       2.07557301
Li       2.78114003       9.35990001       0.33466104      -0.34909558      -0.76530161      -0.08234241
64
Lattice="12.40919302 0.0 0.0 0.0 12.40919302 0.0 0.0 0.0 12.40919302" Properties=species:S:1:pos:R:3:forces:R:3 energy=-535.18774648 stress="-0.01860866827847798 -0.006680079275314813 0.0013969913372487031 -0.006680079275314813 -0.012136350460719444 0.0020752677681314473 0.0013969913372487031 0.0020752677681314473 -0.01608564181714965" free_energy=-535.18774648 pbc="T T T" config_type=melt 
Cl       4.19818995      10.19229999       7.14517996       0.84839540      -0.57879402       0.46776112
Cl       4.10228997       0.75989902       2.67829996      -1.32701419      -1.97721121       0.89873773
Cl       2.42493004       2.33752006       6.35295995       0.57465720      -0.88325989       0.30326422
Cl       2.09464001       5.42846006       3.41161998       0.21045238      -0.41630764      -0.14942323
Cl       1.18148001      10.59830000       7.44523003      -1.14413346      -0.81332815       2.05478290
Cl       5.62395002      12.03370002      11.48549997      -0.60877909      -0.17340737       0.21131352
Cl       8.43452006      10.90420001       2.64264003      -0.49070888      -0.41041156       0.26377599
Cl      10.15400001       0.85156797       0.67499098      -0.15122812       0.50218249       0.25560603
Cl       9.31390000      12.37200006       9.91188996      -0.27221751       0.01194873       0.57842581
Cl       1.90470999       2.21852000      11.94979998       0.97643037       0.03870908      -1.29360016
Cl      10.56330000       3.64184004       9.84010004       2.54190889       1.85177231      -0.68136405
Cl       3.70856005       7.10175002      11.97089995      -0.29199879       0.53778844      -1.16018137
Cl       9.57050995       8.95974995      12.35040000      -0.83738090      -0.67529043      -0.06442547
Cl      12.26789996       5.90004997       0.48899405      -0.85018612      -0.52726290      -1.52140961
Cl       2.00644006      10.90490001       0.15404598       1.22681706       0.70979136      -0.03958751
Cl      11.98650004       2.08594005       4.62417000       0.36463923       0.61820797      -0.09536400
Cl       8.75419998       2.14810999       7.24399995      -1.22538404      -0.94721989       0.32466996
Cl       7.56227006       5.72611999      11.62129997       3.86257373       0.47073087       0.25806241
Cl       8.90330003       6.40225994       2.83626005      -0.39908472      -0.53478650       0.20071133
Cl       8.30457000       5.15558997       7.69558004      -1.70847927      -0.33065446      -1.36062505
Cl       5.34464998       0.51809895       6.02942995       0.14210974       1.59333603       0.76621789
Cl       5.53719003       5.35679995       1.84856001      -0.00357077      -0.44448714       0.09936929
Cl       0.91428899       8.60580998       3.35136999      -0.79119013      -0.00069080      -1.17836321
Cl       1.58592999       5.53645999       9.34956998       0.36104774       1.29222641      -2.22266209
Cl      10.27680002      11.67599995       6.78797997      -0.87267007      -0.21596598      -0.73675706
Cl       4.40000997       5.99145001       7.25716995      -2.66634996      -1.36938880      -1.93303250
Cl      10.61910004       8.08074997       6.65229997       0.65057840      -1.10598225       0.94684918
Cl       5.14957002       8.28150999       3.11451002      -0.90840363       0.65320291       0.68568150
Cl       1.73394002      11.77170001       4.70233998      -0.00640753      -0.20304908      -0.72008795
Cl       7.38155002       2.64928999       3.95847003      -0.94012315      -0.21437798       1.29980591
Cl       5.85963000       3.29537004      10.97609999      -0.49023105      -0.22579308      -0.59918525
Cl       7.56171996       8.47239999       8.63069004      -1.12885716      -1.02161219      -0.03559116
K        7.93500003       3.25987999       1.51462999       0.77390264       0.78202590      -1.86373004
K       12.12890000       9.67420005      12.04989998      -0.07363468      -0.18959361       0.06084730
K        9.67405003       0.56696101       4.45811998      -0.93083295      -0.27755087      -1.05309568
K        9.60933000       3.60978002       5.25722995       0.92191853       1.62092185      -0.43482015
K        9.83672996       9.87175006       8.64461998       0.81717068      -0.28694983       1.09628412
K        6.59515998       5.54334995       4.77843004      -0.49295338       0.39336558      -0.20209367
K        0.96872502       4.51464001       6.77757003      -0.54097978       0.98937818      -0.65386000
K        9.77606997       8.65696005       4.20947996       0.32871670       0.90905545      -0.70987316
K        5.89114005      10.60839997       4.87122996       0.55154497      -0.50903798      -0.87039326
K        2.43515001       8.51045005       5.61115006       0.20865888      -0.44375391       0.13597501
K        5.36581994       1.90771004       0.96626303       1.79147016       1.81934947      -1.81373835
K        0.37900703       3.01584006       1.51064006      -1.13028216       0.13575296       1.28811975
K       11.42530000       1.55417002       7.74059997       0.60828630       0.34381254       0.77178676
K        3.10689996       9.35477998       9.64101998      -0.05772957      -0.23622553       0.55926636
K        6.67388998      11.17860003       8.70392997      -0.16039470       0.90850036       0.00794757
K        3.30164003       2.85420002       9.15831999       0.63680625       0.08608827       0.15122139
Li       2.71085001      11.86790005       6.80751006       0.85359349       0.85030826      -0.74969041
Li       3.24575994      11.06870000       1.97923998      -0.13288152      -0.30686140       0.64832016
Li       5.69291994       6.06514994      11.65300000      -2.37854973      -0.27133144       0.48902631
Li       9.47576006       6.65584999       0.74880694       0.03322728       0.11935061      -1.06841014
Li       2.72344001       1.32131003       4.16297998      -0.59048219       0.23487378       1.20874279
Li       3.36908002       6.62609001       1.56529002       0.69594688      -0.46208552       1.35412842
Li       5.85240003       6.70176996       8.13134002       3.54569793       1.42863538       1.80078360
Li       8.67466003      11.04200000      12.22518802       0.10141150       0.85069966       0.28811986
Li       9.58408995       6.37857005       8.61528006       0.59716751       0.89502971       0.45745660
Li       6.93749995       7.82899003       2.16739003       0.61026517      -0.46513445      -0.69998945
Li       3.29552006       0.49346099       0.01260700      -0.12726358      -0.55679061      -0.44745923
Li       1.39145001       4.65109001      10.99029995      -0.69727865      -1.13529064       2.92108467
Li       6.65217997       2.90351006       6.38930003       0.24238302      -1.13315161       0.20990577
Li       0.76982402       6.57949995       2.12241998       0.28478181       0.99316291       1.72225521
Li      12.12801101      11.28949999       6.06613002       1.14967677      -0.29159145      -1.00906190
Li       9.13599995       2.54459996      10.43079997      -2.08457516      -2.00557735       0.58156869
64
Lattice="12.40919302 0.0 0.0 0.0 12.40919302 0.0 0.0 0.0 12.40919302" Properties=species:S:1:pos:R:3:forces:R:3 energy=-533.4372659 stress="-0.016432484882255998 -0.005449183333882787 -0.007718538336819051 -0.005449183333882787 -0.024524854838026605 -0.0011387162041404818 -0.007718538336819051 -0.0011387162041404818 -0.023469281533533164" free_energy=-533.4372659 pbc="T T T" config_type=melt 
Cl       8.96838997       0.67311397       7.13473005      -0.07804858       0.26347896      -0.22662602
Cl      10.69059995       8.51114000       3.83196005      -1.01407833      -2.92543278      -3.58857866
Cl       7.30521996       6.12518003       4.18656998       0.21980512       0.53527092       0.10277631
Cl       4.05700994       3.94077998       0.72824801       0.85606712      -4.04862197      -3.51795265
Cl       1.77869997       0.66270998      12.34279999      -0.88988649       0.41872999      -0.96429408
Cl       3.21215994      11.57210001       9.87708999       0.02031539      -0.22146223      -2.10992308
Cl       5.51474006       1.88094999       9.26571995      -0.21130518       0.33188097       0.77732425
Cl       4.45905998       8.55560996       7.75366995       0.21980990      -0.11740459       0.19546451
Cl       1.41070995       7.12242001       5.79953997      -0.77327652      -2.98269289      -0.44466426
Cl       7.18232998       5.74636001       0.65668295      -0.17761393      -0.47006086       0.99724821
Cl       0.05446407       9.31357004       0.27651095       0.42605006      -0.85815815      -0.65311578
Cl       4.84753994      12.29420001       5.25455998       1.19118491       2.79451783      -0.62756439
Cl       2.07311999      11.91549998       2.68326003      -1.37292670       0.07701616       0.14715399
Cl      11.78760004       3.16804005       6.80861001      -0.93024873       0.34549267      -0.02516558
Cl       4.51460005       8.00010995       0.87330403      -0.69157531      -0.48649848       0.11390037
Cl       7.33729003       2.81752998       3.22962005      -0.09863780      -0.49969887      -0.48431465
Cl      10.33879995       4.80894003       1.91909001       0.34863814       0.29771510       0.98965429
Cl       9.57298000      11.38539997      11.49649998       0.13810784      -0.03709748       0.00387541
Cl       6.29161002       3.03870002       6.60156995       0.69279650       2.22024865      -1.92283681
Cl       9.12236001       3.16980997      11.22850000       0.47362367      -0.22786222      -0.77236203
Cl       2.78491006       9.61884996       4.83982006      -0.67540892      -0.67555336      -0.78391182
Cl       9.21728997       8.88407000       6.84144995      -0.30830108       3.71867604      -1.60720782
Cl       0.78125400       8.44870004       8.84507002      -0.79996668       0.48386714       0.01945717
Cl       8.90439998       6.70781001       9.11933006       0.18229150      -1.89032928       1.59872769
Cl       1.01510996       3.42724005       2.30695001      -0.07887609       0.33272099       0.89337918
Cl       2.35163999       2.69351003       7.30955995       0.74578675       0.58044758      -1.94599729
Cl       4.04079994       5.03452998       3.85376002      -0.02755581       0.16640543       0.44422088
Cl       5.65266998      12.21099997       1.33055003      -0.30102500      -0.61525704       0.59372332
Cl       8.13545999       8.83543006       1.64310001      -1.05651751      -2.29330702       0.33531893
Cl      12.18330004      10.26390004       6.56461996       2.25587116       2.27332077       3.08428874
Cl      12.27539995       5.26699003      10.19679994      -0.72835774      -1.40960782      -0.40808588
Cl      10.20529999      11.53269995       2.67250995       0.03072833       0.94999199       0.26157369
K       11.48370002       0.28505803       5.40327994       0.03400907       0.30477623      -0.19843513
K        9.76409001       5.90303004      12.00049997       0.17903552       0.37530487      -1.34427278
K        9.92076005       3.17395998       4.23431994       0.04598685       0.36799850       0.25708165
K        2.54691005       2.03412001       9.77253000       0.26856670      -0.18620713       1.89939420
K        9.91554000       9.14164005       9.40554003       0.54760460       1.38124786       1.32959848
K        6.49874005       2.01365005      12.32699999       0.40634370       0.59062954      -0.33746858
K        7.37273999       7.32210999       7.14980003      -3.26271665      -1.25522790      -1.38429786
K        4.09099004       5.32896997       7.24595005      -0.07234303       0.38397730      -0.67514575
K        0.13982704      11.21780005       9.52141000      -0.08391789       0.20156724       0.30105313
K        1.19152004       7.72800005       3.04068003       0.17412936       0.19812535      -0.37152308
K        1.38957002       7.14394003      10.94410003       1.58339104       0.64043183       2.14698031
K       11.47649996       2.09575002       0.76451897      -0.65041876      -0.10814962      -0.40851222
K       10.97459997       7.16362002       7.01234997       2.20923979      -2.15279448      -0.05316597
K        7.38621004       0.12697198       3.83546006       0.34988448      -0.53503715       0.15811863
K        5.65288999       6.44207000      11.02189996      -0.31926996       0.33840503      -0.56603889
K        5.36748997      11.78880001       8.01197003       0.92151350      -0.56411628       0.66243038
Li       3.96921999      10.74790002       5.87732998      -0.69787045      -2.08794169       1.33218303
Li      11.07020002       3.82708001       9.15363006      -0.49043684      -0.33623435      -0.07049072
Li      11.31010000       9.41869998       5.23334994      -0.80937654       0.44229036       0.40595593
Li       9.50685998       7.22264000       2.25772994      -0.04592442      -0.43890269       0.81727290
Li       1.83339002       8.61849999       7.02910995       1.04204672       1.49770132      -0.04026217
Li      12.06510000      10.97059999       1.47019999       0.09817668       0.60906101       0.54493799
Li       8.57348999      10.63820002       1.22130000       0.85453316       2.47487258      -1.12805933
Li       4.55375999       2.20471998       6.68434001      -1.80321270      -1.15263994       0.07003695
Li       2.89750996      11.22959995      11.77100001      -0.03305662      -0.36564278       2.25285315
Li       6.44133996       4.66284995       2.61980004      -0.09505481       0.07042078       0.26938209
Li       7.82820006       2.63859004       7.76092995       1.18621688      -1.05174795       1.29528944
Li       3.77528999       5.38217005       1.73276003      -0.87907304       3.94420354       2.61914219
Li       2.48559995       2.20068004       1.32157000       0.41408105       0.00534022       0.35243935
Li       1.18250005       3.94291002       5.62038994       0.19378880       0.17243815      -0.16406115
Li       4.05403000      12.19550002       3.10838000       0.73993444      -0.20696157      -0.29296859
Li       6.14619996       7.26772000       2.42893002       0.40671937       0.41207570      -0.15493373
64
Lattice="12.40919302 0.0 0.0 0.0 12.40919302 0.0 0.0 0.0 12.40919302" Properties=species:S:1:pos:R:3:forces:R:3 energy=-534.17991719 stress="-0.017344925796086114 0.00044369918445385923 -2.416071954705682e-05 0.00044369918445385923 -0.02166138519277038 7.844756836936115e-05 -2.416071954705682e-05 7.844756836936115e-05 -0.018359153814959974" free_energy=-534.17991719 pbc="T T T" config_type=melt 
Cl       6.43229006       2.86107000      10.41480005      -3.70985067       2.90142513      -0.36952931
Cl      11.71210003       5.74822002       3.01436994       0.36238821      -0.14167156       1.02351833
Cl       3.94639005       8.89549999       7.23126998       0.95563968       0.99833501       2.48665287
Cl       8.34925004       5.72869999       8.11579999      -1.87265627      -1.01238379      -2.97056606
Cl       4.73400005       0.12622395       8.26246002       0.17177509      -1.42945842      -0.74776631
Cl       7.48091998      11.40059999      10.82099997      -0.14337926       0.58149824       0.46889611
Cl       1.06380996       5.20900000      11.58370000       0.07018727       0.51173958      -0.31617494
Cl       9.32011006       2.04062999       8.64531998      -1.10150357       0.30806130       0.14870056
Cl      11.14370004      10.40749997       4.38097997       0.15738653      -0.29732730       0.27592462
Cl       2.47652002       1.90006995       3.91293003       0.49433025      -0.15488302      -0.37611005
Cl       0.50294000       4.26659005       6.87500006      -0.28151939      -0.67436576       0.13791497
Cl      10.59570003       1.38795000       4.18240000      -0.90753716       0.58680888       0.98361298
Cl       2.21141995      11.54589998       1.20474998       0.00655723       0.38235173      -0.53309395
Cl      10.50969998      10.19889995       7.85938002       0.06996365       1.54586067      -0.54897490
Cl       4.60292000       8.68076002      10.90140000       0.45440520      -0.72393841      -0.56811287
Cl       7.70043005      11.50749998       5.46167996      -1.86847120       1.82061928       0.01960043
Cl       0.27820703       1.59771003       1.30715995      -1.27848804       1.14155451      -0.49766963
Cl       6.01085004       1.74145006       4.00353004       0.15834812       0.21423624      -0.37702918
Cl       0.85320697       8.10633003       6.92644994      -0.02172115      -0.50216825      -0.38831276
Cl       7.79033006       8.75001002       6.07896001      -0.00502521      -1.73469769       0.02413143
Cl       4.28856995       4.98131998       8.61306998      -0.40031344      -0.30210660       0.82821484
Cl       9.13302001       5.82292001      10.72569997      -0.11106466       0.79653000       1.54329205
Cl      11.08380000       7.71101000       0.11571101      -2.64969674      -0.88073136       2.67264479
Cl      12.03009999       9.66126000      10.79909998       1.87930885       0.97636630      -1.56531501
Cl       1.97513005      11.97611901       6.61480001      -1.16265848       0.12951651       0.14112104
Cl       3.40169994       2.78823995       0.23843396       0.24774450      -0.28582828       0.19844992
Cl       7.14768004       6.32396997       2.52517994       0.23669457       0.05986760      -0.67964891
Cl       8.59082998       2.93506998      12.29189996      -1.26267010      -1.08200824      -1.29614443
Cl       7.06313000      10.04300003       2.30329005       1.33440722      -0.22592269      -1.93228453
Cl       4.56004004       9.46225004       3.88363999      -4.19506100      -1.56222355       0.11834248
Cl       2.99321996       5.49013995       5.03042998       1.91316235       0.14105223      -0.32159589
Cl       0.75872995       1.03710004      10.48860000      -0.91980906       0.05927868      -2.66684287
K        0.56168003      12.23545203       3.35411999       0.13091321      -0.19488355       0.47735022
K        9.92713999      10.66189997      12.21460000       0.08971269      -0.07156496       0.20184693
K       11.64379995       0.96854099       7.87733004       0.53282317      -0.84707246      -0.58531910
K        9.14029006       4.68359998       5.57819000       0.33544707      -0.36532867      -0.40543126
K        3.01813005      10.70600001       9.54541000      -1.25247677       0.03026436       0.19961652
K        5.76832999       4.34918998       0.66852095       0.56042858      -0.08326428      -0.10862410
K        9.38593996       1.32845003       1.66587001       0.64239156      -1.42519925       0.89275020
K        6.70555005      10.64390006       8.29561006       0.84945639      -1.04612339      -0.66306655
K       10.08779995       7.56492005       8.27358995       1.55778722       0.97128413       0.44101684
K        9.91251004       4.79992004       0.79080102       1.83358842       2.37977187       1.69328944
K        2.22022998       5.02364004       2.12438001      -0.60133326      -0.33802015      -0.38253046
K       11.05839999       3.66712005      10.39970005       0.21788277      -0.21628691       0.07907838
K        5.59754996       6.58282003       6.98091997       1.32007788       0.25937573      -1.10462963
K        4.08775000       9.79132000       0.90341395       1.02619057      -0.39534000       1.00067727
K        2.08890995       3.31995004       9.29763999      -0.32743000       0.49892605       0.50548852
K        9.79401999       8.13424997       3.43898994      -0.26175180      -0.32303566      -0.37762762
Li       4.00150002       1.83462994       2.30452997       0.11208219      -0.41034170       0.02337345
Li       7.60841998       4.67099001       9.69887003      -0.24622478      -0.77769644       0.51770959
Li       1.97250005       3.01263997       5.52424997      -0.34261726       0.97030526       0.76471858
Li       1.01155001       5.71107000       5.13956002      -2.06182731       0.68024487       0.30252317
Li       0.47119294      10.28560000       6.47158998      -0.83035558      -0.53076311      -0.00732801
Li       3.99574005      12.23789999       6.21196000       0.61430677      -0.02252029      -0.92997131
Li       6.24518996      10.13680000       4.22788999       3.19486381       0.96178735       1.20860432
Li       8.16950995       0.95940398       4.64793001       0.22696193       0.63749833      -0.21370811
Li       0.35270699       7.68793002      11.51810004       1.03895212      -0.25804821      -0.77324058
Li       4.68660996       1.89346999       8.89375004       0.73979785       3.26414244       1.34007112
Li       7.37743997       1.33011000      10.10880002       2.85945834      -3.43913060      -0.47744115
Li       9.36461997      10.48219996       5.77128995       1.60350387      -1.02838642       0.76560809
Li       1.70915005       0.87707097      12.15906998       0.89867245      -0.00469472       2.49410963
Li       3.45018998       8.08122996       5.52060005      -1.05247923      -0.56897460      -1.99048770
Li       3.62906006       7.46277005       9.33940003      -0.16322095      -0.51003580      -0.49514900
Li       7.36445996       7.88423005       0.48126995       0.13354476       0.05772377       0.69087649
64
Lattice="12.40919302 0.0 0.0 0.0 12.40919302 0.0 0.0 0.0 12.40919302" Properties=species:S:1:pos:R:3:forces:R:3 energy=-537.33937182 stress="-0.010667659980873939 -0.004931373212807775 0.0022744183398335106 -0.004931373212807775 -0.015363029425376073 -0.005189027765146628 0.0022744183398335106 -0.005189027765146628 -0.006055640747744458" free_energy=-537.33937182 pbc="T T T" config_type=melt 
Cl       0.43553401       7.05831995      10.99039997      -0.80291488      -3.37912875      -2.15212985
Cl       2.35942998       2.44982003       7.69758995       0.85798721       0.48169491       0.32133646
Cl       8.33852006       9.98699002       7.30249006       0.90574575       0.23526532       0.08155111
Cl      10.19670005       4.63209004       3.51096003       0.16595999       0.21279820       0.38002969
Cl      11.84329994       9.86837005       5.63951996      -0.29002576      -0.09592506       0.33512101
Cl      11.66820002       4.27524000      11.97600000      -0.51638469      -0.44977338       0.11877263
Cl       0.35243498       9.80560001       1.55984003       1.36776374      -0.98955016      -0.80481617
Cl       8.21109998       6.93662995      10.63099996      -0.14178917      -0.08379854      -0.22063699
Cl       6.70653000       6.59124996       2.22617994       0.50281632       0.48347955      -0.21720810
Cl       3.11517999       9.40031998      10.00380001      -0.12341180      -0.09694016      -0.31784798
Cl       3.39759002      11.56270004       6.04319994      -0.77525740      -0.20353658       0.70184708
Cl       5.72190000       5.49122005       5.52808999       0.60718733      -0.76615427       0.85940308
Cl       5.71149005       2.39000996       4.32115997       0.32114863      -0.05974506       0.36794649
Cl       4.65676994       0.43279902       0.66719602       1.13271955      -0.11702598       1.17463346
Cl       9.04892998       1.22978999       3.82272996       0.11386956      -0.01261901       0.31566363
Cl      10.34120001       9.60615002      10.91219997      -0.52619138      -0.93282725       0.61103462
Cl       2.36118005       5.02164998       9.33819001       0.24428768       0.28901844       0.57064294
Cl       1.32519001       5.06667004       4.92443003      -1.09911052      -1.57540141      -1.04348057
Cl       1.14168001       2.18517004       1.45499997      -0.63086887       0.39775005       0.94428745
Cl      10.73080003       0.03580424       0.36701504      -0.36810727       0.79986345      -0.57063122
Cl       0.06224116       1.18612006       5.22189998       0.53662077       0.63370309       0.62259056
Cl       4.76721002       8.29367001       6.78867005       0.41635329       0.88334551       0.20865989
Cl       6.85285995       4.10935006       9.35330999      -0.48045450      -0.40352366      -0.45737432
Cl       9.72292996       9.17724004       2.12728004      -2.81330213      -2.65679653       2.81438470
Cl       6.34909002       0.47331206       7.84962999       0.06965040       0.20281527      -0.04549735
Cl       4.40770999       3.69671994       0.01456256      -0.20537354       1.62863424       2.93178011
Cl      10.05380000       2.38653997       9.23653998       0.85413920       0.17542531      -0.54975173
Cl       1.98094997       0.13292703      10.96029999      -0.10077095       0.57906482       0.09803173
Cl       2.88016005       7.25613999       3.16912995       0.41916588       0.36890465       0.08212766
Cl       6.48858995      10.16139999      10.93090000       0.86479270      -1.44772535      -0.76942947
Cl       5.26593003      10.45399995       3.38080001       1.38589210       0.44843475       1.53988907
Cl       9.33745997       5.82266004       7.07826004       0.13804484      -0.29029797       0.09969347
K       10.01789995       0.02901282       6.34964000      -0.25029517      -0.14931629       0.13619998
K        3.84732995       9.46816997       1.47696995      -1.01078285      -0.49970957      -1.28945344
K        4.54931998       4.92704999       2.94899000      -0.85171168      -1.07242763      -0.58713592
K        2.92934004       5.99508999       6.71049995       0.87567974       0.40004939       0.67203897
K       12.20209997       7.19565001       4.11468006      -0.24989139       0.94758252      -0.48631134
K       10.48909997       6.78582996       0.09977723      -0.11940173       0.39981370       0.50436370
K       12.34959998       3.66193003       7.05028996      -0.27474826      -0.00416366       0.46139510
K        4.94052997       6.99996994       9.42223002      -0.21414375      -0.48544787       0.54181807
K        4.47680004       2.63412000      10.25350002      -0.53236764      -1.50777191      -3.08497925
K       10.76180005       8.00565003       8.46963001       0.10119431       0.27034044      -0.03106644
K        8.05336003       1.10181001      10.55610006      -0.38141015      -0.40371878      -0.01179083
K       11.88719994      11.91650003       3.08610997      -0.43007941       0.27434477       0.06631866
K        8.13475999       9.30947004       4.64434995      -0.06478196      -0.09741242      -0.81845869
K       11.87140006      11.45700003       9.90177001       0.86180437       1.08847511      -0.24835928
K        8.00217000       3.33093999       1.97696997      -0.26229096      -0.19305679       0.18174110
K        3.64056003       0.50666400       3.76871002      -0.50104467       0.67804268      -1.36369828
Li      11.66200002       2.09821994      11.80680004       0.21766019      -0.68950780       0.29430693
Li       5.47812996       7.21244002       4.38227003      -0.58658022       1.17806547      -0.46159259
Li       9.27502994       4.07063995       5.75579000       0.29590951       0.03584143      -0.91895470
Li       1.39235005       4.55580999      11.40430004       0.38933701       0.40049931      -0.23898979
Li       5.51000000      12.12239994       5.81373001       0.75245545       0.19246318       0.22658554
Li       2.81857000       1.21902998       0.62512203      -1.12760094       0.39544158      -1.16531392
Li      12.26179998       3.57447003       3.28929003       0.40368292      -0.29968738       0.04095525
Li       5.68782001      11.75180001      11.76920006      -0.43365297       0.09960964      -0.20405721
Li       0.85821495       8.58969999      11.82130006       1.18584797       4.17917527       2.04447400
Li      10.67409994      10.14380003       0.92987394       1.88860973       2.34057619      -3.34401232
Li       7.44186999       7.52695995       0.23570704      -0.20578562       0.39609157       0.25229023
Li       6.88761003       9.30621003       8.58529002      -0.65726756       0.16166446       0.72811430
Li       3.52065000      10.25000001       7.73140997       0.17406715      -0.86757089       0.83831772
Li       8.76063005       5.08172003       9.27837000       0.22933493      -0.08111842      -0.05302440
Li       1.91121998       0.66320994       6.96354995      -0.42159815      -0.98186817      -0.82394837
Li       6.49697000       3.49897002       6.37990006      -0.83033030      -0.36472760       0.11160412
64
Lattice="12.40919302 0.0 0.0 0.0 12.40919302 0.0 0.0 0.0 12.40919302" Properties=species:S:1:pos:R:3:forces:R:3 energy=-540.92578836 stress="-0.008726569417183697 -0.002974107984187607 -0.0034990322647454274 -0.002974107984187607 -0.011141346658202341 -0.0018208482461461218 -0.0034990322647454274 -0.0018208482461461218 -0.004816750500420235" free_energy=-540.92578836 pbc="T T T" config_type=melt 
Cl       2.55489996       5.62694994      11.27349995       0.12344224      -0.13948246       0.30787050
Cl       3.42582999       2.12571003       3.79214999      -0.69977860      -0.81152437      -0.18846583
Cl       3.63263999      10.52010000       4.91382998       0.71045168       1.20486037      -0.95119620
Cl       9.08761005      10.09380004       4.22655005      -0.19670020      -0.16513870      -0.42403112
Cl      11.43739995      11.63450001       6.23951995       1.26660319      -0.64795926       0.85373897
Cl      12.09950002       6.21882998       1.39273995      -0.52121245       2.06964536       1.11936078
Cl      12.31750000       3.28821998       1.91873995       0.38130624      -1.36868846       1.26765425
Cl       0.32539101       8.49233002      10.65789999      -0.43095563      -0.58376427      -0.56696538
Cl       8.79888002       9.71897999       0.35745301       0.12280960      -0.66462778       0.38380783
Cl       0.42156498       9.18406001       3.56535995      -0.48478573      -0.39636666       0.26335608
Cl       9.30988004       7.72120998       7.78895003       0.57304540      -0.35328564      -0.01870043
Cl      11.67230002       3.58166005      10.16570002      -0.45379807      -0.34122441       0.88132476
Cl       5.09812995       4.85793004       2.54017000       1.12980091       0.11446401       0.79993829
Cl       6.53839003       7.68549000      10.27649997       0.58439545      -0.61007614      -0.45136077
Cl       7.34122002       1.82273002       0.53882404      -0.26152916      -0.22807021      -0.22983069
Cl       5.92575996      11.12139998      11.50990004      -0.56818343       0.18265202      -0.40788733
Cl       4.00184004       4.69632003       6.98856006      -0.20912320      -0.26525398       0.14759927
Cl       1.10377005       1.68476995       6.50091005      -0.00101935       0.48019937      -0.10739020
Cl       2.62622999       1.94056996      10.94999998       0.03378626      -0.47510544      -0.01888311
Cl       7.86918998       6.54225996       1.05432003      -1.16939983      -0.46770696      -0.18839458
Cl      11.25560006      11.48279998      11.69070000      -0.37640887       1.92864638      -0.98613363
Cl       6.63234996       7.17084006       5.70982002       0.35925221       0.10252685      -0.45483468
Cl       6.85128001       2.85252999       5.10589003       0.26210606      -0.29314776       0.15856616
Cl       3.76353005       9.25542999       1.28561002       0.04497562      -0.31412158       0.02293835
Cl       5.02125003       1.30066001       8.65300003       0.29312437       0.85121625      -0.30785232
Cl       9.77524005       4.68144997       4.32954002      -0.13254281       0.45773160       1.56446481
Cl       7.96860003      12.35349994       6.84786004       1.07302712       0.03105855       0.27738084
Cl       1.15210001       0.11470698       3.00612999      -0.96024021      -0.37473748      -1.11780194
Cl       0.05994298       5.79637005       5.67584998       1.04672728       1.14964197       2.81004121
Cl       7.07841999       4.21188995       8.69485996       1.23329664       0.47475917       0.77118417
Cl       2.82825004      10.50359999       8.76070997       0.12966519       0.70381190       0.00505192
Cl      10.09940006       0.47153606       2.65938996       0.61783907      -0.92205144       0.57622096
K        7.93029000       1.18313999       9.78216996      -0.39889875      -0.01665060       0.13251740
K        2.78691998       6.07310994       2.09764999      -1.14999857       0.78988722      -0.58203724
K       10.34229996       3.68859006       7.64557000      -0.38014942       0.08732337      -0.85099147
K        5.27148997      12.00669998       6.38891001       0.14234344       0.41560618       0.56006102
K        0.39755704       5.80683000       8.97419996       0.85385567       0.91855629      -0.23532792
K        9.43796997       7.13745995       3.16478996       0.81631470       1.20622828       0.29744112
K        0.09767189       0.28740696       9.25522996       0.76389170       0.26964616      -0.13888334
K        2.56557001       8.26003005       5.14333999      -0.80466288      -1.91834113       0.70561627
K        6.05207996       9.28096998       3.10405006       0.12860099      -0.11770861       0.24483042
K       10.80690002       9.93005999       8.59970999       0.37398173       0.14154458       0.62920947
K        3.97043001       8.52361000      10.56039997      -1.23611578       0.17563433       0.30439141
K        5.43554000       4.65332999      12.22570002       0.26375795      -0.18466711      -1.03228729
K        9.43362998       3.04768999       2.38981997      -1.12045442      -0.45134867      -1.48281822
K        0.17782994       9.83597002       0.82551400       0.75423873      -0.76614931       0.41319269
K       10.01850006       6.41805002      11.74049995       0.31220746       0.44085402      -0.84749536
K        4.41145000       0.43381298       1.12979001      -0.32031799       0.16725681      -0.00664852
Li      12.17651606       1.22893996       0.94449495      -0.17460235      -0.87817166       0.18829040
Li       0.56632703       1.98301002       4.13470005       0.35024697      -0.15498436       0.30216920
Li       2.64747999       0.08237260       4.50577004      -0.01521687       0.13988343       0.56776479
Li       0.07331984       4.58189995       0.34951597       0.96480366      -0.67252159      -2.15222958
Li       7.31800006       7.03492999       8.30050003      -0.57123761      -0.61838822      -0.30229388
Li      11.44779997      10.91130005       4.01347998       0.37197892      -0.06866072      -0.31524398
Li       7.12435994       4.97470997       4.60462006       0.10427100       0.60023852       0.08570436
Li       3.25533004       3.13388995       8.66586005       0.14273935      -0.23345346      -0.00411823
Li      12.13800003       5.08305005       3.96771004      -0.93024055      -0.87025392      -2.67926689
Li       5.92027001       3.39528005       7.15537002      -0.67198319      -0.26908161      -0.29710759
Li       7.59148999      11.46079997       0.43842994       0.40840200       0.93831537       0.02406278
Li       5.01877998       3.31877005       4.04861004       0.36409411       0.45355684       0.33388731
Li       8.77872998       8.83260995       5.91548006      -0.50475653      -0.33688442       0.46878743
Li       9.85332998      12.24350399       5.21673999      -2.17458339       0.63387643      -0.65651993
Li       7.06109998       8.40687002      12.20240002       0.27641283       0.28834958       0.37954826
Li       3.93601001      12.38200597       9.96405994      -0.45889988      -0.43837280       0.15502420
64
Lattice="12.40919302 0.0 0.0 0.0 12.40919302 0.0 0.0 0.0 12.40919302" Properties=species:S:1:pos:R:3:forces:R:3 energy=-533.78423598 stress="-0.01932214159668757 -0.00278610611467487 -0.0020074218773670923 -0.00278610611467487 -0.021422823953617387 0.0026980081433478874 -0.0020074218773670923 0.0026980081433478874 -0.02478411592984843" free_energy=-533.78423598 pbc="T T T" config_type=melt 
Cl       3.97374004       4.62442997       4.72659995      -0.97763262      -0.21452627       4.24572233
Cl      11.89979999       7.09637994       6.00226003       0.36720133      -0.88737215      -0.68357281
Cl      11.03919999       2.32372997       2.56114005      -1.41289698      -0.88954659      -0.66181665
Cl       6.50723998       4.41481997       9.05032998       0.06261982       0.95324316      -0.95452300
Cl       2.23119996       4.80650001       0.82918501      -0.90525963       0.08417017      -0.46476121
Cl       3.11632002       1.75587996      10.70270003      -0.40471411      -0.55029238       0.33840730
Cl       5.76438994      10.93660004       3.99169999       0.13297966      -0.23926048       0.53497069
Cl       9.01505003       7.96141002       5.10152994      -1.60570688       3.79791800       0.33778736
Cl       7.45319996       8.65860998       0.22954898       0.01435612       0.02170195       1.05869246
Cl       6.09650003       2.15524006       5.63165005       0.94246843      -0.50942562       1.18219102
Cl      11.15439999       7.10238996       1.63819006      -1.11236459      -1.42133365       2.95438930
Cl       7.43349999       5.60277001       3.32919998      -0.23470872       1.71423126      -3.01417057
Cl       9.83224006       2.27188002      11.05430000       0.28389955       0.20793451      -0.03900243
Cl       1.04209003      11.53320004       1.42245996       0.76766405      -0.32560938       0.22012197
Cl       8.81272000      11.33519995       6.09817999      -1.38103525       2.16669984       0.64384354
Cl       9.08859001       6.51019994      10.89969994       3.34554626       0.22239172       2.15862926
Cl       0.33600695       9.58657005       4.58667997      -0.02257297       0.77680161      -0.51213585
Cl       7.90746999       7.85420005       8.29768004      -0.19925851       0.21676389      -0.37988662
Cl      12.33444041       7.95985999      10.35119996       1.59086835      -2.56906925       0.50560381
Cl      11.97560006      11.30190000       8.31188000      -0.03258570      -0.23004626      -0.28498522
Cl       9.74347003       3.70093001       7.10759003       0.61591892      -0.43911173       0.17992916
Cl       6.05352997       3.49082996      11.68390001       0.04722218       2.27227319       0.84655668
Cl       3.32173002       7.87113004      11.39099999      -0.42849608      -0.80109201      -0.92477546
Cl       1.25541994       1.45576996       5.98736006       0.20598592       0.39672291      -0.02202396
Cl       3.47507997      10.96279994      10.89470003      -0.80676927      -1.11576859       0.85573833
Cl       3.99641995       6.93409996       7.36378998      -0.16123773       0.63609043       0.38212346
Cl       6.48595002       0.88889606       9.94404999       0.98071858       0.17715311      -0.60744400
Cl       5.90710001       1.78532003       1.85390006      -0.42572184      -0.31180835       0.70003725
Cl      10.28090002      10.90300004      11.48440002      -0.40497143      -1.61931056      -2.13534060
Cl       9.65768999      10.45870005       2.19118006       0.34398475       0.24679555       0.99711551
Cl       1.67439996       4.77828002       8.64207002       0.35186933      -0.53023144       0.18020819
Cl       5.15456001      10.54469998       8.23432999      -1.18267521       0.51123377       0.29978792
K        4.33897001       4.67751998       2.44492001       2.07627124      -0.34901307      -3.97764895
K       11.89230000       0.01460699       4.31297995      -0.24873446      -0.33188907      -0.40234007
K        9.39363999       4.58493002       0.69918705      -0.17936404      -0.61822123       0.31902333
K        1.81598004       9.51362001       7.06137001       0.24945787      -0.20314680       0.19569465
K        5.97303005       8.73422999      10.39439996      -0.41248703       0.20961771      -0.99377017
K       12.32725487       4.08416002       3.75525994       1.58664292       1.57540878       1.19105243
K        6.34379006       7.51142004       5.70939997      -0.58952493      -0.28783491      -0.12384480
K        7.33671002      11.73929998       1.04658997       0.02609291      -0.26366508      -0.24517683
K        7.73724006       4.33044006       5.34630003       0.02778952      -1.45797044       2.45328994
K        0.83414496       1.56746995       8.82404003      -0.35009642       0.28537968      -0.03851407
K       11.17679995       5.98427005       8.31193994      -0.56190936      -0.46285356       1.01362989
K        3.89137998       0.95211705       4.83950995      -0.75993201      -0.56559645      -0.81836734
K        4.70199004       8.07367996       1.22184997       0.74063084       0.25987810       1.07759413
K       11.15730002       0.30743900       0.58426501      -0.22127796       1.31926688       0.69653038
K        0.92323403       7.54169996       0.64666203       2.66709464       0.68058118      -0.91813294
K        9.29147994       0.70795997       8.43003997       0.11553238       0.11036530       0.39827448
Li       9.70729004       7.55481996       0.42753405      -2.20470787       1.56265985      -1.60549585
Li      11.50900000       9.51269006       9.68254002      -1.77361674       2.95054181      -0.38009001
Li       3.72629006       3.58086002       9.95967999       0.32266380       1.45181248      -0.01756440
Li       7.73000004       2.71467006      10.71450006       0.06623424      -0.27778745      -0.53433958
Li       4.61291002      12.39380004      10.12559996       0.18967534       0.51064759      -0.82917409
Li       9.91410996       6.42090996       4.74634000       2.14545324      -2.64790422      -0.53618804
Li       1.62243994      11.70990000      11.71799998       0.11051508      -0.14396869       0.31205297
Li       6.50231998      10.26679995       6.83252004       1.34061051      -0.05529860      -1.04302671
Li       2.02583005       6.70056999       9.88993003       0.11285641       0.21865426      -0.01404307
Li       2.93745999       5.23511999       6.53058005      -0.33955614       0.08194314       0.36508000
Li       5.87980996       2.87041995       7.97289001       0.04497920      -1.57753212      -1.12936775
Li       9.93204000       9.84395000       6.18054005       2.19678897      -3.15617267       0.03825472
Li       4.72900001       2.23860998       0.00182862      -0.97548525      -1.19079722       0.82535463
Li       7.44904995      12.20407204       4.85603999      -1.12080711       0.81214902      -1.07713585
Li      11.13870001       9.03613995       3.09309001      -0.21133530       0.13595425       0.06204699
Li       7.61682001       6.02720002       9.91994005      -2.42515021      -0.32352881      -2.20107519
64
Lattice="12.40919302 0.0 0.0 0.0 12.40919302 0.0 0.0 0.0 12.40919302" Properties=species:S:1:pos:R:3:forces:R:3 energy=-536.53233394 stress="-0.009623443901148205 0.001014378195824938 0.0013689711056355468 0.001014378195824938 -0.027019362758136187 -0.0018164562584534751 0.0013689711056355468 -0.0018164562584534751 -0.013668542815875796" free_energy=-536.53233394 pbc="T T T" config_type=melt 
Cl       3.14527998       3.87988001       7.19712000       0.46163914      -0.06729497       0.11981666
Cl      11.13169998       8.35936006       1.70138996      -0.76714933       1.45212792       0.22267017
Cl       4.71315000       7.37603004       6.31557999      -0.36694381      -0.47283391       0.13512106
Cl       7.92137002      10.48089998       0.68068395      -0.93845790       4.98485643       0.11252791
Cl       3.72124001       4.47760006       2.19716005       1.37229894       1.04127946      -0.72985735
Cl      12.00830002       5.60569994      10.23679998      -0.64070532       2.09994008       0.22801218
Cl       8.83164005      11.37330002       8.96830001       0.11430861       0.03801097      -0.87327847
Cl      10.47430002       0.42366995       2.14392995      -0.28707217       0.07166586      -0.03115537
Cl       3.49084994       6.77979003      11.27390002       1.74643235       4.06135054      -0.41107400
Cl       4.35815004       9.88144996       9.82867006      -0.14752069      -0.11557612      -0.02962249
Cl       1.16064994       1.98610003       3.40121996       0.40534945       1.59544188      -0.29983803
Cl       9.01913005       8.12505997      10.14129995      -0.77860841       0.17251891       1.34189570
Cl       5.50531999       3.86556997      11.28329999      -1.11796460      -0.67257631      -0.99051619
Cl      11.09049997      10.20770005       5.37674996      -2.79660109      -0.00320294      -2.29038082
Cl       2.24057001      11.28070001       6.68418998      -0.01772521      -0.54985218      -0.14020853
Cl      10.10730000       6.86341000       7.39340998      -0.26067343      -0.11773986       0.01968407
Cl       1.32179994       3.53086996      11.93679998       0.64646957      -0.94997277       0.83250640
Cl      11.07669995       3.14780004       5.82126003       0.80397727      -0.03079744      -0.20069940
Cl       0.32056495       0.51656306       9.36237006      -0.95274507      -0.20124773      -0.24400177
Cl       5.66032000       0.39372099       8.28340996      -0.00394366       1.79665504      -0.78526963
Cl       7.25337001       7.03757004       0.27410704      -1.56353393      -2.03793211      -0.22327063
Cl       7.11570999       8.38177999       3.40341005       0.08056602       0.71183248      -1.09813735
Cl       0.26210499       6.00330997       1.16349003       1.66256152      -1.02906186       1.39538134
Cl       9.23544995       4.21823006       0.59884495      -0.01126249      -0.12756229      -0.60814252
Cl       4.82199003       1.03220003       3.16451001       0.38024126       0.43571221      -1.12201529
Cl       7.56882001      11.95109997       5.03375006       1.06792608      -0.26081609      -0.35796288
Cl       2.24713001      10.15220006       1.39271004      -1.07912944      -0.91303023       1.36992324
Cl       8.73721006       4.55686006       9.05671997      -2.10866026      -0.67941737       0.19809236
Cl       3.41359999       0.83284100      10.55229999      -0.35837392      -0.00729582       0.69053603
Cl       9.94587005       6.25210002       4.34334004      -1.30176147       1.59679794      -0.36179848
Cl       0.88380295       7.81563997       5.24760004       0.61328109      -0.13437549      -0.41950797
Cl       0.09926846       9.37570002       9.11122003      -0.01685802       0.04446559      -0.43109830
K        2.45153995       5.05618998       4.29444000      -1.65055451       0.58738727       1.82667533
K        6.01345994       6.17629995       8.81717998       0.16846531      -0.07712579       0.74242811
K        4.92990001      12.37860002       5.46751005      -0.74619816      -1.11097989       1.66642667
K        9.62984997       2.41236996       7.94902999      -0.18937451      -1.74750018       0.05897969
K        1.53070002       1.52091003       6.52529002      -0.66909365       0.67973818      -0.13683018
K        5.42025994       3.68518994       4.91637001       0.03799258      -0.07600761      -0.25145621
K        2.61167003       7.54396005       8.66829002      -0.36737891       0.33466420      -0.77739984
K       10.38440001      12.39370002      11.58730003      -0.18413352      -0.27457486      -0.13273865
K        4.58208000       7.63248996       1.76735003       0.33827659      -0.23246005      -0.17145540
K        0.99225496       8.50635005      11.85289994      -0.27378806      -0.17806142      -0.40302617
K        7.43679997       7.67165995       5.86473998       0.85291594      -0.29989529       1.18784037
K        0.52982700      11.84050005       3.45522998      -0.35943118      -1.14914390      -0.13769431
K        3.72274996       2.16650004       0.93311696      -0.33623587      -0.37860400      -1.15064056
K        4.25103003      11.29759997       0.24679105       1.63295469       0.53582738      -0.89940482
K        0.31917996       3.26179001       9.48793000       0.22952445      -0.63702732      -1.31286624
K       10.39400001       4.08161998       3.11275995       0.37058818      -1.60476111      -0.43420657
Li       8.18335005       8.72599996       0.49991700       1.71535361      -3.14927150      -0.45409364
Li       0.29860502       3.13251998       1.48641000       0.25161869       0.09815937      -0.06998705
Li       9.72215997       6.13563006       9.69665995       1.21458280       0.91508254       0.19681211
Li      11.18900005       6.46921995      12.19659997      -1.08108121      -0.22876601      -0.14120382
Li       9.52081995       8.52837997       3.52162003       0.15328518      -0.40156585      -0.41655440
Li       2.78862997       5.14964001      11.53650002      -1.53187436      -4.13017065       1.05964342
Li       4.62123994       2.11949004       9.31188996       0.30585936       0.32558194       0.12900636
Li      10.13970003       8.62181995       8.50022003       0.93454901       1.26184089       0.08565587
Li       6.04824998      10.86810005       8.66212004       0.54308910      -1.07114918       0.70404257
Li       0.07236235      10.26279997       6.61490995       2.98992607      -0.33306562       2.79787112
Li       7.08200997       4.71608998      12.30549994       1.17997192       0.65188423       0.51038874
Li       7.89004003      11.65260005       2.51374003       0.41787305       0.36836573       0.65749904
Li       2.16278001      11.77580001       9.32464996       0.42611107      -0.58215933      -0.29346084
Li      11.34899996       6.83807998       5.71371998       0.84052301       0.07210476       0.22476693
Li       9.42192004      11.37859998       6.20562002      -0.52022525       0.29634231       0.49937098
Li       0.79908105       8.27472005       2.92056997      -0.53345249      -0.19675907      -0.18272031
64
Lattice="12.40919302 0.0 0.0 0.0 12.40919302 0.0 0.0 0.0 12.40919302" Properties=species:S:1:pos:R:3:forces:R:3 energy=-536.10043322 stress="-0.021094766670059252 0.00012930160589695708 -0.0018556584158090346 0.00012930160589695708 -0.020135430795321214 -0.0004799758216519346 -0.0018556584158090346 -0.0004799758216519346 -0.012875306768425916" free_energy=-536.10043322 pbc="T T T" config_type=melt 
Cl       7.32936998       8.12990006      10.19709999      -0.51175619       0.12353457      -0.22698372
Cl       8.69193003      12.07280002       7.62189003      -0.64151565       0.62623537       1.94845434
Cl       7.77747004      10.17559995       0.46863504       0.76378192      -0.50035891       0.53476835
Cl       8.69020999       4.38798000       0.02941115      -0.51293550      -2.41437473      -3.41312053
Cl       3.25554000       7.90000995       9.36793000       0.36767630       1.64076391      -0.45348340
Cl       9.13105997       3.42957000       3.46520994       0.33266626       0.65288625       0.54401338
Cl      11.33030005       2.32541005       1.24938994       1.27433318      -0.37514651       0.29148148
Cl       4.07331004       7.59613003       1.03295996       0.32238788      -0.31850784      -0.55134171
Cl      11.36329995       1.80208001       6.85645005      -2.50819029       2.49955968      -0.05376593
Cl       0.64185695       5.64349003       7.28264999      -0.02065767       0.29384557      -0.37060534
Cl       5.94943000       4.00225996       2.61111001      -0.01706611      -0.90654534       0.85741175
Cl       2.23983998       0.52467297       5.95260005       0.31365164       0.50498685      -0.53384838
Cl      10.09739995       2.04987000      10.20830004      -0.70360094       0.14202431       0.92213176
Cl       6.84702006       2.20577005       7.15188006      -0.14436349       1.57657012       0.46616876
Cl       4.50927006       4.69436000      11.13050001       0.26690456       0.17452293       0.52609503
Cl       8.56257002       6.76829999       1.44303999      -0.75051869       3.60048312       1.31303000
Cl       3.96701004      12.39850002       2.10740002      -2.05825982      -2.76424538       0.35841393
Cl       1.22731994       2.59148003       9.99889006       0.86939177       0.56671317       0.10647493
Cl      10.48639998      11.18429994      10.65969994       3.19074611       0.07562612      -0.55932989
Cl       9.06038999       5.55535001       7.61868995      -0.81390997      -1.59883293      -0.19583369
Cl      10.53660000       7.47707996      10.44099995       0.52893326       0.10031796       0.16871963
Cl       1.04727000      10.57510002       8.39631997       0.14798125       0.14318412       0.31835852
Cl       8.05088998       0.41636106       4.35147004      -0.09706969      -0.63344818       0.03922226
Cl       4.55123001       4.84491999       6.54843006       0.41619498       0.88224570       0.97156717
Cl       8.13926999       8.18156995       6.34919997       0.01323369       1.54193729       0.17369216
Cl       3.79872996       8.97991997       4.10466000      -0.07358031       0.21587249       1.22142624
Cl       0.72768898      10.61599998       0.73542698      -0.56121329       0.23539121       0.64919571
Cl       2.25297995       3.20330995       1.40998004      -0.19986597       0.37629430       0.71917232
Cl       6.05747994       0.39180104      11.90999997       0.37376446       1.68535118      -0.10509635
Cl       4.77819005      11.92379999       8.11373001       1.20733962       0.41594830       0.30547381
Cl      11.76239994      10.99290005       5.40668006      -0.56265838       0.10220301      -0.31148138
Cl       0.27412503       6.20092004       3.80036004       0.63788940       0.10844544      -1.24406873
K        6.90582003       3.53141001      10.31079997       0.70357825      -0.68814580      -0.59135238
K        3.55008994       2.38035995       7.84653998       0.09011874      -0.53169126       0.15678935
K       11.11900004       4.39980000       9.00557995       0.63166371      -0.26263662       0.69359227
K       10.83350000       5.11303996       5.53787005      -0.06733946      -0.56397772      -0.36472514
K        8.20088995      11.45669997      10.43289998      -5.69780328       0.52445211      -0.70078004
K        0.18851401       0.11134198      11.01769995       1.91726748       1.29824532       0.23199913
K        1.94181001       8.76188003      11.52640005      -0.57098270      -0.22451508       0.10177769
K        4.79792997      10.40800006      12.14789996      -0.18110112      -0.36773755      -0.01371745
K        2.47110006       5.43859998       9.33076000      -0.56996246      -1.31247018      -0.15664491
K        9.82165998      11.94069995       1.81694995       0.10546120      -0.28331592       0.65030595
K        6.38327003       9.51893003       2.99328995       0.16905360       0.24672307       0.10368608
K        1.06426004       0.46830396       3.04982003       0.16072673      -0.12129545       0.11890872
K        5.49541994       7.20287998       8.07413997       0.77395771      -0.07781278      -0.54456052
K        0.68626994       8.43587998       5.85235003       0.27831566       0.01357244       0.31586998
K        7.22137997       6.18152000       4.78374999      -0.30991511      -1.17818291      -0.54668424
K        3.63853001       3.68456998       4.37651998      -0.79497926      -0.61765592      -0.90470419
Li       5.08066996       1.46493998       2.07571997       2.32641752       2.61518965      -0.41376941
Li       3.11179997       3.17117002      11.84419998      -0.52701512      -0.47201091      -0.37460775
Li      10.08459999       0.29875405       9.13076997       0.69755976       0.31411300      -0.94327268
Li       9.76052994      10.95030004       6.52947005       1.66291885      -1.79199636      -2.16847228
Li       6.97186002       0.22038702       6.62028003      -1.24262046      -0.59796796      -0.93769515
Li       3.40338995      10.46150006       7.78861995      -1.30779531      -0.45554194      -0.04870948
Li       9.05611006       4.94189994       1.78756994       0.74186443      -1.35517357       2.85830310
Li       8.62651000       7.32532000       8.50646000       0.22007164       1.25546472       0.48717155
Li       2.76428995       7.87168001       2.70591996      -0.56927357      -0.32650304      -0.05168946
Li       8.98857005       2.18731001       6.26631003      -0.04086665      -0.35171791      -0.44152656
Li       0.27799595       0.46387499       6.95691997       2.08318743      -2.56915619      -0.07737163
Li       8.73380001       7.44456006      11.78049999      -0.35290874      -0.36097180      -0.00670002
Li       9.36555997       2.11056002       0.71070303      -1.06598711       1.23571169      -0.66404107
Li      12.40320000       4.65153004       2.03562996       0.24642431      -0.54485197       0.06945365
Li       5.46258000       5.10821006       1.00536006      -0.46019341       1.06600936      -1.31756279
Li      10.37469999       9.48340995      11.51439999       0.10044242      -2.28763565       1.06441720
64
Lattice="12.40919302 0.0 0.0 0.0 12.40919302 0.0 0.0 0.0 12.40919302" Properties=species:S:1:pos:R:3:forces:R:3 energy=-537.12895675 stress="-0.016242379642892366 -0.00072664155429923 0.004861567488177893 -0.00072664155429923 -0.01129128497766181 0.006829152877375453 0.004861567488177893 0.006829152877375453 -0.017862611168118228" free_energy=-537.12895675 pbc="T T T" config_type=melt 
Cl       1.20604997      10.81090000       4.53464996      -0.19110835       0.21022586       0.31777614
Cl       5.28477997       6.87060001      11.21100006       1.08913961       0.00207196       0.28446637
Cl      12.24500004       5.16083000       6.60817002      -0.22694106      -0.27454953       0.35477181
Cl       5.16270999       1.25189002       9.70107998       0.61721286       0.36516779      -0.44847250
Cl       2.85830994       9.15087001       7.68540003       0.64747481       0.47806584       0.14468181
Cl       4.44450003       5.76926005       5.35455996      -0.04192962       0.00916708       0.84722936
Cl      10.49739998       4.38630004       9.55724999      -1.98660006       1.54752898       0.43133562
Cl       0.96169695       9.96873994      11.52500005       0.01564674       0.11798078       0.35197791
Cl       8.95239006       1.67714996       4.33883004      -0.63964762      -1.06820676       1.04933429
Cl       2.51504995       3.09881996       0.42643894      -0.39411172       1.39420802       0.07371256
Cl      10.95840001       4.70496005       3.24624998      -1.47815845      -0.05422745       2.25552353
Cl       1.95277998       3.15665995       4.72980996      -0.75239400       0.76497590       0.60039296
Cl      11.91090001       9.03160997       7.46851005      -3.16892223      -1.27300608       0.07352475
Cl       4.43345994       1.68524994       2.24503000       1.43418417      -0.33035564      -0.08387488
Cl       7.94354996       9.07820997       3.68598004      -0.37972409      -1.53533271       0.93692971
Cl       8.60254996       7.45946002       7.84009998       0.05546807       0.17628747       0.49955867
Cl       2.27374004       5.31135996       9.13256000      -1.33165774      -0.65401675      -0.39020729
Cl       2.92205001       1.58640997       7.37964000      -1.10363986       0.17133661       0.64885124
Cl       0.32912803       1.98494002       9.86253003       0.44503356      -0.15346704      -0.56966112
Cl       8.93487994       0.89827604       0.87013199      -0.61025874       0.89588170      -0.56705806
Cl       6.98916997      10.70400002       6.80929996      -1.02523379       0.18536799      -0.44074249
Cl       7.59880000       5.40115003       3.88476997      -0.16616305      -2.12743623       3.62340236
Cl      11.91650003       1.51064999       1.64832006       0.38945699      -0.41406416       0.21331362
Cl      10.29320001      12.33983829       7.00947005      -0.56309390      -0.15319290       0.68071904
Cl       9.14210999       8.04294996       0.27918103       0.59447595      -0.56346470       1.00355165
Cl       6.01731995      11.43349999       0.05033553      -0.07604634      -0.08258484       0.14452785
Cl       6.98716998       4.61428000       8.14999997      -2.44926168      -1.73219645      -1.34840542
Cl       5.49073001       1.15601995       6.07979006       3.35467443       1.76801370      -4.10789407
Cl       8.48831999      10.94169997       9.84697995       0.04062403       0.10410900       0.85532721
Cl       0.31654797       7.41125999       3.22855001       0.24572112       0.38809731      -0.07118873
Cl       3.43310004       9.24330001       2.69619997       2.13967935      -0.44240553      -0.48337789
Cl       6.90122999       3.81230996       0.65510699       0.39765659       1.20647679      -0.15217782
K        4.41133000       5.97409004       2.56340001      -0.15421327      -0.24493437      -0.34634767
K        9.03078997       4.04051006       6.21004005       0.61270770       0.14973650      -0.28491758
K       12.33770006      11.20950004       9.02948006      -0.08592196       1.11486219       0.78330590
K       11.34969997      11.05629999       1.53451994       0.36966578      -0.13100680      -0.68091137
K        4.34648006       6.92444002       8.50227003       0.88952342       0.35392384      -0.98165280
K        4.46177002       4.37523998      10.43610006       0.51244409      -1.54893425       0.73493277
K        2.79535997       0.90963194      11.11589997      -0.50441392      -0.52014104       0.25841956
K       12.18149996       6.85160005       9.05917997      -0.02646052       0.10541004       0.64959166
K        5.30674995       9.03300005       5.18284006      -0.28314344      -0.88327819       0.17160061
K       11.56200004       0.42074697       4.63460998       0.72352505       0.80856870      -0.48980214
K       10.25210002       2.10473998      10.96429997      -0.56077186      -0.93106584       0.76936400
K        8.30304999      11.17339996       2.31501003      -0.54113646       0.63489765      -0.67653717
K        3.87386999       8.97465004      12.02260000      -0.66172793       1.23738309       0.34841512
K       12.04120001       4.33832002       1.04969997       1.32436281      -0.15305582      -2.12099772
K       10.11179995       7.65595004       5.29343997       0.21334399      -0.17303712      -0.39613769
K        4.69794998      11.87890005       3.75839996      -0.33271197      -0.39468022       0.12335827
Li       8.19666995       5.47474995       9.34782996       1.88783083       1.47421597       1.33462629
Li       6.84902998       0.31770698      10.59249994       0.39982052      -0.99228104       0.46758229
Li       2.00501003       3.71688997       7.14666000       0.28757239      -0.04912877      -0.41111043
Li       8.00934996       8.91217000      11.28420003      -0.73502653       0.95352851      -1.06279637
Li       4.74246001       0.27971401       7.46467002      -1.87318045      -1.86905896       3.74047770
Li       8.08325005       0.10155696       6.23992002       0.22552087       0.51528535      -0.15295332
Li       1.05393001       9.85630000       6.85025005       2.49737841       1.13515544      -2.14248242
Li       8.86717005       2.96817995       2.75806004       0.23865975       1.04199182      -1.12620923
Li       2.73182999       2.72188998       2.90662998      -0.29374594      -0.10833574      -1.25293408
Li       0.56997595       5.42462996       4.49885998      -0.03765199      -0.28579843      -0.39767443
Li      12.15220000       3.89175995       8.57231000       1.40683664      -0.82174454      -0.45871796
Li       8.59754000       9.96029003       7.89672995       0.82710358      -0.65303298       0.26569456
Li       6.52886002       1.82869996       1.10628005      -0.36667316      -1.03510773       0.12539441
Li       5.52545999       3.25135996       6.60721997      -0.36580565       0.79210106       0.05285573
Li       7.61856002       6.26168997       2.30606995       0.73849207       2.14322504      -3.96454534
Li       1.45117000       9.43460000       2.83278001      -1.21375882      -0.59211940       0.39326066
64
Lattice="12.40919302 0.0 0.0 0.0 12.40919302 0.0 0.0 0.0 12.40919302" Properties=species:S:1:pos:R:3:forces:R:3 energy=-535.56118719 stress="-0.008604025068794714 -0.001155854789015281 -0.0014265222949382337 -0.001155854789015281 -0.01875402091125059 0.0020991557150051754 -0.0014265222949382337 0.0020991557150051754 -0.01831932165215627" free_energy=-535.56118719 pbc="T T T" config_type=melt 
Cl       4.14410995      11.85429995       4.15455998       0.33254470      -0.22073930      -0.03704532
Cl       2.25811004       8.91316001       2.19711997       1.62587242      -2.39673352       0.19849786
Cl      11.21770003       7.46585001       9.34579002      -0.21785893       0.89953708       1.16157543
Cl      12.01219998       4.59535995       6.93074005       0.14706046       1.00201894       0.52457855
Cl       0.89083102       1.83872001       5.20725006      -0.75557660      -0.14632362      -0.23140460
Cl       5.90915000       1.47312000       9.25450998      -0.18222064      -0.30176579       0.06081364
Cl       5.65932999       9.10806996       7.18068006       0.08365149      -0.86980135      -0.53978335
Cl       8.53225995       5.60142001       2.51362996       0.39056329       0.01265981      -1.65989423
Cl       3.67472999       3.68405003       6.33329002       0.02847794       0.29241119       0.25623962
Cl       8.88866004      11.29269995       9.74371995      -0.18292384      -0.44746311       0.05592512
Cl       6.38108998       9.53232004       2.82002001       1.06820779       0.44165019       0.71915206
Cl       2.65581996       9.91466999       9.33480999      -1.10234463      -1.25963790      -0.78542477
Cl      11.88729996       7.21305006       0.49878801      -0.72265587      -0.47388013       1.14757571
Cl       0.04277101      10.86520003       0.09033074       0.42161055      -0.18658934       0.32696884
Cl       0.56517496      10.75309997       4.51742997      -0.23248367       0.42672535       0.03517364
Cl       9.13368005      11.73019995       1.40414995      -0.39595262       0.07841843      -0.25011790
Cl       6.90951003       1.80450005       0.10384199       0.24726225      -1.19958931       0.26522113
Cl       2.29969002       6.31901994      10.59030004      -0.21095055       0.72598483       0.32006709
Cl      11.74520006       2.99155005       2.21409004      -0.17671747       0.06559443      -0.13879457
Cl       3.02344999       2.72837006      12.15320005       0.19880734       0.17208878       0.19146528
Cl       9.47968000       1.65191004       8.38902994      -0.12289062       0.19198003      -0.18058994
Cl       6.17465002       5.90207999       8.92325004      -1.18557441      -0.13786109       0.18973277
Cl       2.03150005       8.18103003       5.24791002       1.22277843      -0.64656118       1.37106641
Cl       1.01182996       5.41842003       4.30180994      -0.33957905       2.12915430      -3.20855689
Cl       7.50143002       0.63626400       4.43237004       1.68905553       3.24295221       1.50733015
Cl       0.86624196       1.93405997       8.94462004       0.94992361      -0.72769644      -1.87011524
Cl      10.27950001       3.86085001      11.35840005      -1.99863958       1.14633870       0.09032508
Cl      10.71450006       7.83193994       3.99041998      -0.15683855       1.34064637       1.00531786
Cl       8.73219997       7.55320999      11.52270000      -1.22365644       1.04539907       0.89574330
Cl       4.90735002      10.98590003       0.19950694      -2.20664167      -1.36207523      -4.22138986
Cl       4.81044998       5.39758003       2.37422000      -0.20217709       0.62297086       0.45881535
Cl       8.73981003       5.28052002       6.27524006       0.56229590       0.35558588       1.92792147
K        3.46793997      12.25689996       9.98986002       0.45272766       1.97280591       1.02875998
K        4.71321006       8.43621999      10.49049998       0.36306640      -0.30797068       0.05689493
K        8.90516005       8.99505001       1.93675003       1.08216520      -0.77150758      -0.42913180
K       10.62539994       0.03210693       3.78511001       0.82615572       0.30729755       0.12225403
K        6.61577003      11.51400004       7.74551004       0.45626024       1.29825061       0.12140923
K       11.77790002      12.29669996      10.23450006      -0.54591983      -0.32806698      -0.47150957
K        0.43140795       7.58759996       7.38087000       0.72715348      -0.20749524      -0.78473349
K        8.66515000       2.31462001       2.25816005       0.54334246       0.28288101      -0.19395103
K        6.06129006       4.25679001      12.36607728      -0.77992614       1.01098758      -0.45378386
K        1.70020997       5.33788995       0.84515998       0.22115553      -0.39304752       0.73122107
K        2.91803005       2.66592005       3.41904005       0.29969860       0.07911364      -0.64188299
K        8.90192001       6.09518999       9.29731996       0.22556099      -1.45239692      -0.91883126
K        6.93529000       3.25461006       7.25706000      -0.28072073      -0.17376760       0.12488920
K        4.46402999       6.94246003       5.49050999       0.49685029      -1.08224827       0.30892542
K        0.22299295       2.78051001      11.30070003       0.77293209       0.18265005       1.70978033
K        8.90924999       8.66889000       6.37497001       0.05262869      -0.35078008       0.17383935
Li       2.80990999      10.05930000       5.03459004      -0.18685707       1.60738154      -0.38818792
Li      11.13639996       2.84130997       7.58074996       0.15676959      -0.67856012       0.33010383
Li       1.81301003      10.67120004       1.54383999      -0.86836105       2.14360158      -0.80446498
Li      11.02949998       6.05077004       3.06403004       0.39654435      -1.64843782      -0.67503960
Li       8.14888004       5.45757004       4.48290003      -0.81434652       0.09794636      -1.19421693
Li       9.35380003       5.79523994       0.02500701       1.13734989      -1.07704542       0.67120557
Li       8.11953999       0.86562795      10.88450004      -0.23476705       0.19505662      -0.44235131
Li       8.94320998       9.62280006      11.09140001       0.39348318       0.40374702       0.08648969
Li       3.08460002       5.18033998       9.08310006       0.74998386      -1.05899527      -0.88074563
Li       1.33033002       4.08563001       5.60150998       0.29384192      -2.00482293       2.12138907
Li       4.67123000       8.52456005       2.83396000      -2.10917523      -0.95086960      -0.73653462
Li       0.81798298       7.88304001       3.61215998      -0.87203269      -0.07809505      -0.61766580
Li       6.80505999      11.43770001       3.95565004      -1.93027393      -3.06248009      -0.59405829
Li       5.68402999      11.43370003       1.74263998       1.61311466       1.53476183       3.30077509
Li       0.53114300       7.78077994      11.17590004      -0.07222866       0.43227904      -0.80891620
Li       2.13389997       1.03908005       6.66705003       0.08139463       0.26242764       0.56167886
64
Lattice="12.40919302 0.0 0.0 0.0 12.40919302 0.0 0.0 0.0 12.40919302" Properties=species:S:1:pos:R:3:forces:R:3 energy=-537.06367818 stress="-0.010285912293347079 -0.003047894118915357 -0.0009562865292810046 -0.003047894118915357 -0.01568007825345494 9.411426183756733e-05 -0.0009562865292810046 9.411426183756733e-05 -0.009750932279987492" free_energy=-537.06367818 pbc="T T T" config_type=melt 
Cl       3.17546000       1.28448004       1.31902996       0.59712324      -0.83077373      -1.85383173
Cl      12.17440004      10.90949998       4.29163006      -0.06213907      -0.40108602      -0.58469862
Cl       6.99630997       8.55476998       7.48341001       0.44447450      -0.13871464       1.11643752
Cl      10.65849997       5.36372998       2.74066000       0.60647024       0.39909062       0.04572527
Cl       9.97146997       6.54240999       8.67121995      -1.34743348      -1.05278226      -0.05853480
Cl       0.29446395       2.15567004       3.36942996       1.51340039      -1.23593254      -1.46785807
Cl       6.48892996       2.90080001       5.91955002       4.91615847       3.84291227       1.42113052
Cl      11.67259995      10.35529996      12.25598006       0.97162679      -1.03222159       2.98915027
Cl       4.31029001       5.72644002       6.76959997       0.43464304       0.03505769      -0.25176692
Cl      10.47710003       1.39259004       4.93268004      -1.86592110       0.13336495       0.87271383
Cl       5.20643999       8.99658999      11.66410003       0.07602427       0.34802397      -0.63953072
Cl       2.56854995       9.53143998       6.95163998       0.31710858       0.58166788      -0.05686306
Cl       7.02213003       7.58125997       3.17156004      -0.92490992       2.16864914       1.16486710
Cl       0.15986106       7.77778995       5.15603000      -1.04050590      -1.60367359       0.44921969
Cl       0.80345603       4.07784994       6.09382002      -0.35362196       0.19234548      -0.50477268
Cl       5.11843995       0.72196102      10.59959999       0.28375489       0.66790586       0.98686455
Cl       6.70637997       1.16928004       3.53971995      -0.13148079      -0.88038965      -1.15616714
Cl       2.62122995       4.68194001       2.71657996       0.34910330      -0.12645262      -0.01917070
Cl       8.53891004       0.88296298       0.16847403      -0.68456007       0.21385981       0.37208989
Cl       6.46518001      11.53400006       6.20297996       0.51573535      -0.08861582       1.18909137
Cl       8.24683002      11.22559997      10.24969996       1.12041048      -1.25802819      -0.97966796
Cl       8.06641996       6.08876004       0.04650693       0.16505394      -0.07633863      -0.18447572
Cl       0.85453004       4.43160998      11.61779996      -0.09717897       0.93701335      -2.25192895
Cl       7.94892004       4.16673004       2.96241004      -1.41667206       0.82898480      -0.66442840
Cl       4.45487002       4.65363997      10.90790006       0.50069020       0.07522069       0.17492589
Cl       2.76368004       8.37190997       1.97759005      -0.27320734       0.76087059       0.38866248
Cl      11.17170002       2.67026004       0.19464303      -0.07410383      -0.62981976       2.30287472
Cl       3.81216999       1.64460996       5.52581998      -1.47417868      -0.24323717      -0.11614211
Cl      11.52830002       9.66245004       9.24690997      -0.09633043       0.07013224      -0.68372967
Cl      11.90881701       1.05804999       9.33810004       0.39959938      -1.14067444      -0.57196961
Cl       1.30703002       6.20844001       8.71713000       0.09884157       0.23773899       0.42180881
Cl       7.90032998       2.09734001       8.90964994       0.00617362       0.26724282       0.03500413
K        3.66408004       7.88249003       9.13855004       0.26575271      -0.32001083      -0.25472631
K        1.47286995       3.03359004       8.62827000       0.46346717       0.57339258       0.29788895
K        5.84863000      11.01550005       1.47006994       0.25446910       0.47975441       0.06557389
K        3.57085995      11.72940005       9.19210005      -1.43625899      -0.98625245      -1.31556326
K       10.19800003      11.24290000       7.12901996      -0.39744538       0.46130089      -0.07366288
K        0.57241597       0.31823301       6.24644999       0.47715704       0.78179515      -0.09685106
K        7.19061994       5.08643006      10.01910005      -0.16628401      -0.42142976      -1.02862783
K        1.99608000      11.11430006       0.57049503      -0.04685228      -0.30451707       0.19678200
K        5.70709000       2.95691997       1.02822003       0.02975673      -0.55423228       0.04351448
K       11.50310005       8.18643001       2.38841997       0.52133316       0.15584182      -0.35355111
K        4.75185005       6.60658996       0.85977305      -0.27376028      -0.07157126       0.34450902
K        8.42914005       8.55883002      10.55299999       0.26559128      -0.97539128       0.02950384
K        9.03789002       8.04026002       5.20150994       0.34787623      -0.19382405       0.35011220
K        9.32046000       4.03279998       6.69457002       0.19872309      -0.26457868       0.09238932
K       10.27299995       3.07368005      10.21370002      -0.41576585       0.65840041      -0.65374948
K        5.29828998       9.20090003       5.41147001      -0.87630481      -0.64985352      -0.65795524
Li       5.93542002       1.17770005       6.05400996      -1.19564480      -3.33246112      -0.30831789
Li      11.70660002       7.61864999       8.37733999       1.37994638       0.08340526      -0.10811071
Li       8.42265997       2.63939006       4.14049999       0.01186488      -2.25360752       0.91274572
Li       7.20265996       0.42910704      10.68389998       0.24479584       2.16622811       0.65211314
Li      10.82050000      11.21589995      10.79060005      -1.11413493       1.51037325      -2.09066561
Li       2.76875999       1.88199000       3.13813005      -0.71542309       1.02762451       2.21058933
Li       7.51576996       6.07417006       2.09283001       0.97356398      -1.32894040      -0.63283568
Li       6.67986004      10.89320000       8.74370999       0.20122695      -0.20783660      -0.99425930
Li       4.95661998       3.81568998       5.33986996      -2.71747707       1.34279590      -0.55664200
Li       2.47635995       5.39162002      10.77709997      -0.44814575       0.44964667      -0.61890822
Li       9.32708005       3.83808994       1.25266001       0.89866508      -0.10617482      -0.24898299
Li       1.50499003       9.25633996       4.88410996       0.42244574       1.04322562      -0.20687582
Li       2.41296994       5.89844000       5.69552004      -0.91778024      -0.26020318       0.00173714
Li      11.15069994       0.65899603       2.15258003      -0.00743685       0.57949175       0.12278874
Li      12.21989996       4.10269997       3.82458998       0.17138964       0.91754568       0.60886747
Li       1.10430004       3.81377996       1.01689006       0.12654066      -1.02127765       2.38614104
64
Lattice="12.40919302 0.0 0.0 0.0 12.40919302 0.0 0.0 0.0 12.40919302" Properties=species:S:1:pos:R:3:forces:R:3 energy=-536.27803973 stress="-0.016926047845124068 0.0007371610062630119 -0.003298368058423737 0.0007371610062630119 -0.024823601951039033 -0.0005865176272081576 -0.003298368058423737 -0.0005865176272081576 -0.013937261959826995" free_energy=-536.27803973 pbc="T T T" config_type=melt 
Cl       4.14494000       0.38419705       0.51395304       1.26989326      -0.00648461       1.00278951
Cl       3.04772002       5.87922002       7.07865998      -0.73328384       0.60661048      -1.52844437
Cl       7.23241001       7.72971996       7.95989994      -2.99350617      -1.64610801       0.27147551
Cl      10.77429996       8.99310995      10.33809995       0.08938606      -0.10275672       0.58939430
Cl       0.15069203       2.15931003       5.63292000       1.16156314      -0.40857877       0.74523294
Cl       4.77491998       3.47483997       7.79165002       0.76294315      -0.91674100       0.98993077
Cl      10.40020002      12.22049995       3.61996003       0.78974926      -0.60595973       2.03408537
Cl       1.82025998      11.75649999       4.77155994       0.19792249      -0.56064149      -0.64454942
Cl       9.36068005       2.05484001       2.19757998       0.55055178       0.68559981      -1.85548847
Cl       1.06448006       5.87693996       3.70593005      -0.18418871      -0.34007061       0.43073002
Cl      10.50819995       4.02673995       5.47976996      -1.76568925       0.97529180      -0.77037280
Cl       6.82601006       7.30782006       0.57413899      -0.00424522       0.82144353       2.82592165
Cl       5.12198004       6.59664995       4.68754995       0.28449202      -2.46017647      -0.61729309
Cl       1.51818994       0.24106694       8.58462004       0.67991865      -1.38747769      -1.27438853
Cl       2.10256006       2.96397000      11.95420003      -0.71295365       0.59900872       0.18425244
Cl      11.56649999       7.13109999       7.06999005       0.32317560      -0.15288223      -0.36288170
Cl       2.67848994      10.28230002      11.91910001      -0.62787531      -1.37238015      -0.29904015
Cl       4.64675994      12.38470000       7.25880995      -0.34435966      -0.88057416      -0.29235776
Cl      12.00490002       9.43306995       1.87589994      -0.38142061       1.96033198       0.01709836
Cl       7.94132003       0.36217098       7.30735000       0.04994824       0.12289361      -0.04615169
Cl      11.56000005      12.10959998      11.56569996       0.59705307       0.94885571       0.96215156
Cl       5.05794997       3.76488004       0.85864902       2.10157325      -1.04276565       0.93385947
Cl       4.54670996       9.37782000       4.24671002       0.17092083       1.39957337      -0.26015382
Cl      11.14230004      11.12380004       7.29662001       0.15217602       0.58712416      -0.78020673
Cl       8.42513002       3.74148996       9.86379999      -0.59623202      -1.10794874       1.64022329
Cl       8.07227003       9.73315005       4.97755999      -0.10865017      -0.16523287       0.00619309
Cl      10.03190001       5.95383005       2.14776005      -1.17351020      -0.05521278      -0.09388360
Cl       4.05836999       9.19528996       8.29512995      -2.28988752      -3.05348137      -0.13870242
Cl      11.86939995       3.80875001       8.51544996       0.41670450      -0.18861791       0.63643638
Cl       7.50649000      11.49649998       1.06904999       1.03344595       0.44190940       0.01480353
Cl       2.28737997       6.04428996      12.27510002      -2.09558789       3.54472085      -0.16119863
Cl       4.69871004       2.31916004       4.39414997       0.18969907      -0.16250247      -0.12077041
K        2.22391005       0.45252294      11.04690002      -0.18002721      -0.22405527       0.71167408
K        9.33055004       8.87450996       7.76739998       2.68249505       1.48685254      -0.65269361
K       12.39969999       7.02355994       1.30131000       0.47526742      -1.36806505      -0.95006548
K        9.68350000      11.78260000       9.72135002      -0.95101053      -0.09773822      -0.56681489
K        6.00537995       1.79605994      10.93269996       0.06841331       0.39960793       0.12341958
K        7.24438997       3.40898004       2.97165005      -1.13370542       1.29952719       0.20991909
K        9.11607004       5.33656998       7.95690002       0.68649607       0.62245805      -1.30562190
K        5.91782999      11.74350000       3.95142000       0.46283812       0.31496919       0.18937487
K        2.20010996       8.69475995       5.56664995      -0.51516913      -0.57280574       0.34196235
K        3.44318003       7.65921999       2.40358003      -0.31365150      -0.69705101      -0.38515512
K        0.69405200       9.50154003       8.70857001       0.49646692      -0.26870240      -0.16434497
K        5.45366995       9.79253995       0.62638405      -0.96866094       0.22512672      -0.14315384
K        0.50505502       2.78896998       2.93494006       0.20045557       0.26140130      -0.51316075
K       11.30779995       2.80681005      11.40610000      -0.13923934       0.33315522      -0.03182815
K        2.43667001       5.36193996       9.53224000      -0.49141404      -0.64180200       0.58113759
K        6.88978003       6.55378996      10.67270006       0.08450526      -1.27150903      -2.84321657
Li       8.61971994       8.12184996       1.67589999       0.42201477      -0.20880235       0.29292183
Li       4.24898996       1.62962002       2.30416006      -0.12347004       0.56587248      -0.41118746
Li       0.33208204      10.18269999      11.72349998      -0.27519565      -0.39771279       0.95386818
Li       0.25789802       4.55539999       6.29777999       0.12917110       0.34467299       0.26487702
Li      10.77110000       5.91726003       4.20115997       0.49904414       0.13589288       0.42024380
Li       2.72233001      12.31570005       6.58596005      -0.98609177       0.36903984       0.15817495
Li       9.86062001       2.10941998       4.26406006       0.63475611      -0.25171897       0.76765055
Li      12.26869998       0.09656722       5.32042004      -0.49598930      -0.90995034      -0.06352629
Li       5.02885004      10.73360004       8.38391996       2.02908414       1.90123402       0.48623314
Li       4.43203003       4.35268999       5.82770003      -0.24897675       0.77857907      -0.27516200
Li       9.42395999      11.39909997       5.71549996      -0.14811583       0.03480810      -0.10918064
Li       5.81711003       1.51575997       7.32760006       1.52776657       1.89945207      -0.18775950
Li       9.83180996      12.21029996       1.53818996      -0.29426020      -0.27843383      -0.48149434
Li       5.89604999       8.15426005       5.81380000       0.52633247       0.71515404       0.55336103
Li       3.59456002       4.79830994       0.13521603       0.65419931      -2.01268707      -0.04598956
Li       0.18450497       1.66677997       8.28683999      -1.12405481       1.43646047      -0.96315760
64
Lattice="12.40919302 0.0 0.0 0.0 12.40919302 0.0 0.0 0.0 12.40919302" Properties=species:S:1:pos:R:3:forces:R:3 energy=-537.76576146 stress="-0.016858350708246712 0.0029511861542699655 -0.0008062196596995807 0.0029511861542699655 -0.008312072262888435 -0.0056468041865962056 -0.0008062196596995807 -0.0056468041865962056 -0.012880249594264958" free_energy=-537.76576146 pbc="T T T" config_type=melt 
Cl      11.89219998       4.19958003       0.02594651      -0.23477947       0.00224203       0.13887437
Cl      11.94759995       0.76628703       7.89518005      -2.30255911       3.69343227       0.07811556
Cl       1.25633996       0.11017502       5.33277004       0.13051793      -0.57074124      -0.15024419
Cl       2.56859996       0.72407803       2.06524996      -0.09964626      -0.11668636       0.00240726
Cl      10.23020003       2.23093998       3.23681999       0.52381204       0.25689104       0.56942330
Cl       6.43079004       5.36813004       0.18788201       2.45539984      -0.11600035       0.76611081
Cl       7.39091003      10.72969995       0.75652596      -0.25426129      -0.36167855       0.41712137
Cl       3.01677000       9.29041002       4.68525003      -0.12059349       0.01292437       0.07701068
Cl       9.55217996      10.31240001      10.25300006      -0.82318274       0.20481580      -0.26234482
Cl       8.51619004       1.52844006       8.37241006       0.35921363      -1.02890839       0.81637475
Cl       4.02348006       2.72509006      11.05069996       1.49700946      -0.88132394      -0.98679637
Cl       5.16961000       6.71486997       9.18906997      -0.22108064      -0.66131766       0.33837702
Cl       9.29517006       0.94203495       0.37864704      -1.93076748       1.42029681      -0.58717792
Cl       8.76451003       6.50754003       8.67182999       0.29294426       0.00730739      -0.08876547
Cl      11.95929996      10.15039998       2.40184994       0.07091563      -0.60936515      -0.49881333
Cl       9.09241998       6.53248995       1.98480997       1.23093712       0.12119921      -0.41447771
Cl       3.25434996       8.56402004       0.24976603       2.47739785      -0.73539308      -0.02319851
Cl      12.22660006       7.81136004      10.92410001       0.15477887      -0.47764158       1.17948439
Cl       2.35426999       4.52115000       3.60243998       3.04066666       0.84664628       4.30273438
Cl      10.19320003       9.97867003       5.40634998      -0.78850875      -0.31071152       0.88845697
Cl       1.29253000       9.29606998       7.80603005      -0.53608161      -0.11807386      -0.51762207
Cl       2.62043998       4.47033001       0.33916496       0.64395904       1.24447367       0.35009714
Cl       6.61370998      12.11429996       5.28824002      -1.01045988      -0.58622181       1.75323030
Cl       3.90432996      12.12350002       7.72660997       0.99963566       0.69756169       0.26272597
Cl      12.13060006       5.28207998       5.53278005      -1.15215178       0.19981594      -1.16676520
Cl       4.94274005       3.87349994       6.92967000       0.66152420       0.29758333       0.83668658
Cl       1.34264999      11.41489998      10.11549999       0.16061243       0.58077555       1.05396917
Cl       7.69676003       4.44183999       3.98768996       0.73804652       0.55784403       1.11097845
Cl       6.47703997      11.21729996       9.13918998       0.16691844      -0.72320122       1.05832362
Cl       6.12574006       2.47204006       2.55523997      -0.94585432      -1.09677975      -1.21555346
Cl       6.15323002       7.66389006       5.07260002       0.32137249       0.10038587      -0.68230374
Cl       1.87838004       3.80849004       8.66134000      -0.03277425       0.31537555       0.43808424
K        0.97692104       3.01465002       5.66684004       0.48605500      -1.24349306       0.57165377
K        3.92697997       6.50224999       6.34121999      -0.75888749       0.30311057       0.04282374
K        8.39124995       8.86900003       3.55554006      -0.26528415      -0.12834961      -0.41786390
K        8.04337001       3.74595999       7.12735006      -0.43315153       2.04107990      -0.93449561
K        4.26418006       9.35945006       9.85177002      -0.74275341       0.43787481       0.09324595
K        4.61387000      10.76230002       2.70899000      -0.23014024       0.07888732      -0.15650983
K        8.22749997       7.51844005      11.70069995       0.09016344       0.24398144      -0.57087774
K        8.17659002       0.30691397       3.41964996       0.72918980       0.34647803      -2.29710099
K        6.99798000       1.03288005      11.18789997      -1.02829752       0.07117451      -0.35841028
K       11.47459998       7.23649996       7.11574995      -0.40048313       0.87321607       1.09562564
K       10.14370001       0.34640300       5.86417003       0.11450751       0.41341027      -0.09662671
K        4.91777995       6.19672995       2.39205003      -0.35469207       0.15752385       0.83334069
K       10.94190001       2.03094003      10.26450003       0.17199482       0.34597093      -0.02129116
K        7.15166997       8.85028002       7.44610004       0.29919053      -0.18285819       0.29912005
K       11.63590001       0.96710698       1.08572001       3.55808613      -0.16799108       1.05934705
K        4.47096995       2.13965002       5.02678999      -0.40077302      -1.04466062      -1.03845664
Li       0.57189503      11.70250003       8.09347002       2.45363231      -3.74087918      -0.08063246
Li       1.43024996       9.07152005       0.51415506      -2.44366045       1.03955117       0.15469854
Li       1.46731994       4.24572002       2.09906997      -2.88421124      -0.86054162      -4.00828436
Li      11.33510005       9.48118995       9.85206995       1.61406821      -0.18948040      -0.33571372
Li      11.45119997       7.18924997       1.02436002      -0.49645551      -0.23697601      -0.28826618
Li      10.02009998       4.38757000       3.72018995      -0.11310482       0.59269503       0.25871984
Li       7.08277996       0.03074055       7.59755995      -0.31294822       0.31788640      -0.72978700
Li       3.02664995      11.13509997       6.23802998      -1.28346180      -1.15994974      -1.51794669
Li      12.17770002       9.77992005       4.83528996       1.62327196       0.40344652      -0.69028445
Li       9.16376006      11.53619996      11.91590005      -0.36882231      -1.40502884       0.19220916
Li       4.51826995       4.17391000       9.09711004      -0.53675663       0.03375927      -0.15761224
Li       2.71679997       0.72071700       9.06214999      -0.70608132       0.68312458       1.02191178
Li       7.83799005       3.77557999       1.83979999      -0.18368423       0.28807746       0.04846784
Li       3.75012005       2.18579000       1.04961000       0.36927280       0.45197172      -0.25227084
Li       1.57807000       5.04310001      10.84320002      -0.60706990      -0.32721479      -0.33062547
Li       4.74463001       5.07574997      11.76770004      -2.43167449      -0.60132309      -1.23263130
64
Lattice="12.40919302 0.0 0.0 0.0 12.40919302 0.0 0.0 0.0 12.40919302" Properties=species:S:1:pos:R:3:forces:R:3 energy=-537.55438874 stress="-0.015188433037956361 0.0024176117412485465 0.0019620239299399968 0.0024176117412485465 -0.006382789966622886 1.8482356823565503e-07 0.0019620239299399968 1.8482356823565503e-07 -0.012026443495585928" free_energy=-537.55438874 pbc="T T T" config_type=melt 
Cl       9.51806002       3.55927001       3.22718996      -0.11646777       0.77924747      -1.17564051
Cl       5.65292995       9.84295999       8.91355995       0.05538522      -0.79145101       0.28006419
Cl       1.95084998       3.24344997       1.44411003      -0.08685273       0.21386428      -0.24816083
Cl       7.13586004       0.30887499      11.84440002      -0.84663098      -0.49512346      -0.49073452
Cl       7.59401005      11.01569996       5.37163005       0.32733594       0.70650171       1.07406755
Cl       5.80032002       3.04109996       0.97686098      -0.80713767       0.72360548       0.21194079
Cl       6.41007004       5.94683995       8.45594006       0.17181614       0.25159230      -0.83054359
Cl       3.63528004       5.87348003       1.64457000       0.51141014       1.60232635       2.61282201
Cl       0.80292405       8.59919005       9.52819994       1.11577586       0.21045003      -0.25600037
Cl       1.11884002       8.16417996       3.88280994      -3.68255556       0.62678092       3.21001384
Cl       4.50837995       3.11784995       8.65997003      -1.14544911       1.33176902       0.62241089
Cl       6.22808997       5.15312004       5.16667994      -0.52231046      -0.75064844      -0.21859185
Cl      11.34650001      11.30089995       3.67438005      -0.85155987       0.76603642       1.08608952
Cl       3.29909999       9.59083001       1.23496996       0.27886339      -0.02909779      -0.38564752
Cl       1.46842994       1.17381001      10.01459998       0.01395747      -0.24480192       0.02573184
Cl       0.42550304       4.92568001       8.62931994       0.07604117      -1.09442657       0.92797290
Cl       6.40443999       7.31153996      12.36129999      -0.36301308       0.10521377      -0.71671419
Cl       4.99805005       8.91097003       4.38454997      -1.69064830      -1.56610359       0.54411981
Cl       0.28164599       0.81552000       1.24326998      -0.81266994      -0.27161099      -0.44866167
Cl      11.43580004       7.68379006       1.16023001      -0.00531956      -0.48496773      -0.46185736
Cl       9.63015995      10.62670005      10.04040005       0.26916413      -0.44624743       0.81809437
Cl       8.92011995       6.76419006      10.39589998       1.05792700       0.07130715      -0.00256773
Cl       3.91619005       0.59233397       3.25082997       0.71137151      -0.08409163       0.13710962
Cl      12.16029997       0.98473102       7.04794996      -0.43441803      -0.24821789       0.50818839
Cl       8.19411006       6.87876997       2.68546006      -0.85483078       0.09995398      -0.21696550
Cl       2.65398005       3.80326999       5.93034999       0.33706399       1.40126163      -2.59750529
Cl       3.90330000       5.98653001      11.12290000      -1.29569619      -1.31532902      -0.69219074
Cl      10.49070001       2.57218001      10.75379997       0.28748414       0.14845713      -0.09474676
Cl       7.27981003      10.24400004       2.01143997      -0.54515497       0.91030285      -0.56739819
Cl       7.87552004       2.53844004       7.13403998      -0.32551876      -1.48798335      -0.86487401
Cl       9.90718005       7.42475995       6.98802994      -0.10273639       0.19114064       0.38037214
Cl       2.58700006      11.61190001       6.47640003       1.18259058      -0.23873484      -1.05996937
K        0.52063402      10.20119999       1.84905997       0.09997536      -0.12826284      -0.59104091
K        9.65915006      11.04529998       7.39506996       0.14006435      -0.12799420      -1.41028825
K        8.80780000       8.65910995       0.48307599       0.79235848       0.18426893      -0.45874139
K       10.07909998       6.24849006       4.33593001       1.20661319      -0.17091581       0.22995290
K        1.04721999       5.88709006       0.22217605      -0.10297438       0.41586866      -0.33308656
K        3.94574006       6.84492005       7.01935000      -0.03335453      -0.30523771      -0.39689422
K        9.21272996       4.44219998       8.28779996       1.13138319       1.27240068       0.89566024
K        6.88753000       2.36105000       3.59485995      -0.27121920      -0.32676586       0.28713262
K        5.64402003       0.87623198       8.32486995       0.86247151      -2.41648540       0.08098343
K        0.28602904       6.92370999       6.96960998       0.31593553       1.03562825      -0.91808320
K        9.42349998       4.84693996       0.26798099      -0.34010560       0.16158072       0.34205075
K        1.60610001       1.72451002       4.22262998      -0.72188071      -0.48365102       0.07037525
K        7.22286995       7.60354999       6.06032003      -0.04773952       0.65076626      -0.11503896
K        9.65133996       0.85233498       0.57555302       0.16661070      -0.45621286       0.43263767
K        2.98233002       0.20976897       0.44090694       0.38128860       0.05908978      -0.13462703
K       10.47350000       1.70497001       4.77092000       0.33310166      -1.50716079       0.70818700
Li       3.48805998       4.33104997       0.37320698       1.06758383      -1.01872449      -1.45260985
Li       0.51190999       2.43793997      11.85589999      -0.16265684      -0.76151356      -0.10578229
Li       5.93576996       5.84514004      10.47129998       0.48046736      -0.08057328       1.18149218
Li       1.43384999      11.86669996       8.05336003      -1.04400354       0.60710035       1.41367123
Li      11.30000003       8.06515000      10.15839994      -1.18043303      -0.07915697       0.25981648
Li       7.72773002       8.46963001       9.49683000      -0.28468538       0.36545648       0.04247359
Li       2.39984995       3.04181002       7.66654004      -0.63552422      -0.72949403       2.64077466
Li       5.99946994       3.69814998       7.20398005       0.03210548       0.98500603      -0.55489897
Li       2.57172000       7.71370999       2.96250001       4.37715311      -0.87641029      -2.77437785
Li       6.73292994       9.79195994       3.98874002       0.94055636       0.47341879      -0.93703825
Li       4.03334996       3.65626002       2.63237006       0.16948181      -0.12134310      -0.01821168
Li       3.75955997      10.65439998       4.86751998      -0.06355854       0.58449113      -0.40239991
Li      11.10699998       0.81417100       9.14924999       0.42513955       0.49302394       0.52123129
Li       5.93238994      10.75010005       0.00955198       0.48856611       0.02914917       0.51235973
Li       6.06167003       6.71630001       2.08208005      -0.32218274       0.02954248      -0.03250060
Li       3.76211999       7.81169000      10.26810006      -0.10775450       1.65213511      -0.09340698
64
Lattice="12.40919302 0.0 0.0 0.0 12.40919302 0.0 0.0 0.0 12.40919302" Properties=species:S:1:pos:R:3:forces:R:3 energy=-537.24669711 stress="-0.015027177882534735 -0.0029682351984548446 0.0020830027892515357 -0.0029682351984548446 -0.021338315343117007 0.002043256990209603 0.0020830027892515357 0.002043256990209603 -0.012027893167220034" free_energy=-537.24669711 pbc="T T T" config_type=melt 
Cl       9.24514997       1.27095997       1.01133000      -0.29239882      -0.44520031      -0.35508586
Cl       8.05095004       6.66259004      10.66879998       0.11299307       0.58015683       0.20921866
Cl       4.66339000       4.66967004      10.66420001      -0.07638881       0.17764252      -0.67246892
Cl       7.35794997       0.19766901       3.67009999      -1.27312624      -3.57160960       1.11841647
Cl       4.64514005       0.62075598      10.82070004      -2.53453702      -0.61754659      -1.03499206
Cl       8.63165002       5.80290994       7.18386004      -0.31502352      -0.70518158      -0.06697633
Cl       7.12086005      10.73830002      10.99690003       0.43627422       0.76152134       0.80919009
Cl       4.78918000       9.01097001       0.07757681      -0.30561558      -0.57112445       0.38190526
Cl       8.29087000       2.53188004       9.30869000      -0.29713979       0.16986249      -0.36464695
Cl       6.26619004       3.84850001       5.29557001      -0.71231748       3.72138549       0.97010197
Cl      11.88799996       4.23931998       9.84087003      -1.68020909      -0.26496174       0.64985991
Cl       1.24232005      11.96710001       2.06647996      -0.05731619       0.60032913       1.26057734
Cl      11.61880002      10.15210004       8.15267998       0.22277528       0.00288921       0.78400869
Cl       4.37289997       1.25305996       5.37032001       0.15599418      -0.23767325      -0.03413290
Cl      12.05230004       0.35488505      11.02939996       0.21738691       0.22029145      -0.15642285
Cl       2.61823996       5.01464003       1.58546998       0.99118480       0.40297830       0.03066409
Cl       6.31132996       6.64088004       3.38828002       1.11923542       0.03803275      -0.79208522
Cl       3.85794998       8.31922004       4.31787004      -0.02749623       0.02506453      -0.37245083
Cl      10.32830003       6.48653995       4.58628995       0.03236453       0.24563848       0.63004516
Cl       0.61803601       7.87009995       1.08261994       0.09196567      -0.32323284       0.11735378
Cl       8.49518004      10.65040000       7.19635001      -1.14982245      -0.86283210       1.32685788
Cl       9.19492997       9.94225004       1.97175997      -1.45185805      -1.13168055      -1.48998035
Cl       0.36640699       7.44267001       6.50853004       0.73411631       0.83762944       0.35600009
Cl       0.12701504       3.54697995       3.12711999       0.85739790       1.69291157      -0.99767354
Cl       5.31492004       7.32163000       7.15788002      -0.06880779       0.34601706       3.58472444
Cl       2.64206002      11.31590006       7.40348004      -0.08130608      -1.20298095       0.54331571
Cl       5.36958005       2.17359003       2.12508001       0.55168262       0.54097509       0.28640634
Cl      10.79460003      11.33869996       4.23067002       0.30327849       0.85114076       0.54244935
Cl       9.13520005       3.75728996       2.94048002      -0.33410467       0.89560498      -0.00552437
Cl       8.84773005       1.90366998       5.62600994       0.80670847       0.47793524       0.54217064
Cl       1.04897006       2.14679995       6.05316005       0.08762602       0.56261394      -0.36093659
Cl       2.07609001       8.02664999       9.53198003      -0.98511095       0.28026544      -0.47599914
K        2.16563003      11.57140000      12.06940003       0.44607112      -0.63750994      -1.46512948
K       12.20310003       4.94949995       5.88282005      -0.15102401      -1.22960392       0.01141906
K        9.41524005      12.00030006      10.04380005       0.58799710       0.34238527      -0.23033462
K       10.39540002       7.57837000       2.24451998       0.20701034      -0.14699287      -0.99742223
K       11.27159998       7.42427003      10.47199998       0.32494292      -0.12212530      -0.00340139
K        1.68274006       5.01838003       8.92047994       2.06945207       0.74306517      -0.61093631
K        5.79495999       5.01389994       0.95798399       0.16210985       0.01987864      -0.07836538
K        2.75553998       2.20131999       1.46087001      -1.09731683      -0.56712793      -0.61646819
K        6.17504005       9.82563998       8.73971001      -0.99609349      -0.54228005      -1.07790395
K       12.30190003       0.44993798       7.86032994      -0.45456027      -0.13843462       0.79004247
K        2.14185997      10.42389996       4.44206001      -0.97315547       0.56696207      -0.10038783
K        5.34674999       2.36465003       8.57393002      -0.10556935       0.00004435      -0.12715249
K        6.49394005       9.86856996       3.17517000      -0.09373940      -0.11879645       0.11409776
K       11.32190002       2.96257000       0.22300697       0.18045013       0.17286291      -0.27379065
K        6.76983997       1.33337002      11.86590006       1.91316304       0.73080149       1.04986641
K        9.73534002       8.30545006       7.28820000       0.70112028      -0.61965115      -0.63104195
Li       8.35034006       5.64168995       4.49479002      -0.53717788      -0.66909039      -0.30252621
Li       2.63974000       0.65061200       6.39987005      -0.19580288       0.91980410      -0.40378225
Li       7.08164998       5.34408003       8.71390001      -0.09097727       0.46744996       0.73641150
Li       3.84221997       8.12987995       2.06095998      -0.24031332      -0.35621945      -0.30751027
Li       4.15209998       3.05047002       4.00285995       0.47208453       0.29883823       0.09397781
Li       7.82513003       9.17572997      12.18100000       0.08298294      -0.67571072       0.51855620
Li      11.76389997       1.94792004       3.97053003      -0.85828233      -1.96469069       0.88113872
Li       6.42838998       2.05193005       4.87798999       0.48458029      -3.51308723      -0.43981264
Li       7.91454000       1.87681996       3.08380000       1.51478046       2.90588239      -1.79344337
Li       9.65833006      11.90960003       2.18447004       0.56311606       0.77476019       0.81613081
Li       8.66311998      12.26599999       6.19250996       0.45482688       1.31951998      -1.90318738
Li       0.86744702       5.90247001       2.49709000      -0.11368660       0.12986016      -0.22055097
Li       1.26866005       9.32560001       7.52276999      -0.09773852      -0.29101650       0.47931912
Li       8.77503005       3.65547998       6.90198000      -0.18275249      -0.40462730       0.54541143
Li       3.72812004       7.64924002      10.62380002       1.14287043      -0.38641426       1.02644925
Li       5.53413004       6.98990001       5.33639005      -0.19777351      -0.50559822      -2.44356292
64
Lattice="12.40919302 0.0 0.0 0.0 12.40919302 0.0 0.0 0.0 12.40919302" Properties=species:S:1:pos:R:3:forces:R:3 energy=-535.23165088 stress="-0.01333621797535095 0.001705857921354085 -0.0015577238162131097 0.001705857921354085 -0.02329077465964232 0.003849517418947473 -0.0015577238162131097 0.003849517418947473 -0.013781895674507149" free_energy=-535.23165088 pbc="T T T" config_type=melt 
Cl       0.92129001       4.38762001      12.16960004      -0.17715549      -0.17211892      -0.19975272
Cl       9.23158002       4.16408006       8.93926001       2.28582921      -1.13554119      -0.48773228
Cl      11.86729994       8.82296006       9.68900000       0.60965446       1.43075171      -0.49854556
Cl      11.60160001      10.81879994       1.39119997       0.26909897      -0.02690666       0.74394543
Cl       3.33790006       7.38322998      11.64090005      -0.74967378       0.78975668       0.66957759
Cl       4.37807002      12.24949998       5.14673998      -0.03281903      -0.07450231      -0.18546474
Cl       9.90734000      11.37410004       4.73930001      -0.66075465      -5.86686178       0.57740941
Cl       4.35649998      11.43459994       9.92669003      -0.67874367       0.38629634      -1.08360468
Cl       6.34526998      11.88936398      12.11979997       0.56793052       1.26577056      -0.18603268
Cl       7.65467003       1.98965005       4.02985999       0.48438931       0.19629274       0.89395638
Cl      12.34430001       3.61478006       7.90569001       0.24241276      -1.12367534       1.10485773
Cl       0.26340696       2.91503001       3.19122005       0.15067475      -0.36274394       0.41941009
Cl      11.14819999       0.87806606      10.08140003       0.86528896      -0.02093069       0.89150757
Cl       4.53667005       2.35187998       0.89674798       0.44609762      -0.25500356      -0.21488820
Cl       2.95180006       2.35372001      10.36870002      -2.22256662       1.07556695      -1.09498315
Cl       6.56280003       9.49754998       2.16648999      -0.06202535       0.01942345       0.31830977
Cl       9.31092006       4.51694005       4.02492995       1.67946839       0.12518526       0.72530722
Cl       0.55004803       7.80772998       4.38741004      -0.69683103       0.12292455       1.02276704
Cl       1.07316997      10.99309997       5.43849996      -1.18707878       0.62075051      -0.14933688
Cl       5.99519994       3.73952000       9.68742006       0.48066216      -0.79579690       0.40061806
Cl       4.36650006       9.02593996       6.81400999       0.55648574       0.79355594       0.29243854
Cl       9.27613995       8.30067996       5.14661006      -0.24538920       0.12763513      -0.01675406
Cl       2.37150003       6.79289004       8.18752003      -0.66638163      -0.78450511      -1.61415958
Cl       5.83834005       6.41215999       5.53707996       0.35142068      -0.45313063      -0.39197370
Cl       3.70185003       3.50845995       5.84248000       0.18320147       0.10779989       0.38718479
Cl       3.62927002       8.59118004       3.74126001       0.27962113      -0.63311553       0.17200322
Cl       8.99515003       0.52827002       7.53704999       0.22638161       0.57023206      -0.21612817
Cl       2.99070002      10.55349996       1.11974998      -2.02729421       0.91640419      -0.73275392
Cl       7.04208004       5.85638996       1.87753001      -0.53309361      -0.37145156      -0.31321088
Cl       8.27264002       9.73471001       8.31608002       1.42992417       1.00163444       1.17802381
Cl      11.08520000       6.53994006       1.87746995      -0.00739987      -0.04723556      -0.37032366
Cl       6.32109997       7.49678005       9.73510003       0.27220906      -1.11542464       0.22779636
K        8.78636002       7.69459003       0.72162597      -0.03978391       0.72694640      -0.27319428
K        1.79386996       1.47921998       6.05511996      -0.31339771      -0.29110811      -0.02765424
K        1.90332997      10.61440006       8.37518997      -0.17946468      -0.20178832      -0.00340918
K        1.78986999       6.85543002       2.23208002      -0.24322014      -0.51434594      -1.24933921
K       11.95249997       6.40587002      10.58730000      -0.23865373      -1.44149569       0.41060156
K        8.59805002      12.07579995      10.55030000       0.49269608      -0.32650857      -0.45597832
K       10.09609996       3.06372006       1.04612997       0.58520252       0.48777052       0.30730893
K        2.14817997       0.44120600       0.43328695      -0.86405319       2.06261878      -0.81500945
K        6.16057006       0.30253203       7.50975001      -0.59516041      -0.38311264       0.05585458
K        4.59371002       5.17082995       7.90311002      -0.23702493       0.57870673       0.36780610
K       11.99820005       4.74165999       5.68066996      -0.34810118       1.31376340      -2.03718848
K        3.38601001       3.46764004       3.13935000      -0.38942327       0.02000783      -0.45831440
K        6.75989003       3.50741001       6.16134005       0.23148946       0.08109340       0.69793058
K        4.92616000       5.32761998      12.17170005       0.61694449      -1.26182947      -0.05773089
K        5.41924995       9.48598995      11.68989998      -0.21715187      -0.96259232      -0.22463307
K        7.03086002       0.41030699       2.10996996      -0.70073532      -1.00324118      -0.22073319
Li       7.67319001       5.16660995       9.28356002      -2.31918594       1.68685444       0.70717182
Li       3.31725005       7.13333998       5.96844001       0.07631800       0.47813824      -0.17380296
Li      10.04640002       0.65917894       4.59610003       0.09727504       6.97299863      -0.42348971
Li       1.13271002      10.73169994       2.72578001      -0.36473691      -0.32500219      -0.08112025
Li       6.14518005       9.25172002       4.71224003      -0.25975471      -0.48741986      -0.34205386
Li       4.48088006       1.26321999      10.74060006       2.15204040      -1.32505076       0.79444054
Li       2.21214006       7.75738005       9.88916004      -0.47175424       0.96011432       1.07393899
Li      10.86540006       9.67453994       3.80297006       0.33511216      -0.73181640      -0.16032855
Li       2.91872000      10.32519997       4.87513005       1.47401947      -0.01624233       0.44769751
Li       6.62013000       8.86639000       8.05092001      -2.74153776      -1.41183216      -0.56565180
Li       0.93246598       3.20446997       9.72951999       0.36793631      -0.20470742       1.22325506
Li      10.34979995       2.15152003       8.61525003      -0.12814756       0.47345838      -0.48508919
Li       9.87131003       6.72386006       3.82959001       0.31082287      -0.36618474      -0.30886873
Li       9.59976996      10.65709997       7.10364999       0.88770863       0.54968304      -1.02788967
Li       7.35075003       4.94423002       3.83910997      -1.20707997       0.64269630      -0.35570266
Li       4.16304997       9.33376997       1.83347998       2.79725798      -2.09160839       1.39170824
64
Lattice="12.40919302 0.0 0.0 0.0 12.40919302 0.0 0.0 0.0 12.40919302" Properties=species:S:1:pos:R:3:forces:R:3 energy=-538.25303297 stress="-0.011310925852201776 0.003603302953651488 -0.000490719212721644 0.003603302953651488 -0.014463165058811974 -0.0057333981352276145 -0.000490719212721644 -0.0057333981352276145 -0.01543646385106458" free_energy=-538.25303297 pbc="T T T" config_type=melt 
Cl      11.80610003       5.09597000       2.42772000       0.24058726       0.97585319      -0.50721625
Cl       4.67232996      10.16269997       1.34606004      -0.44756588      -0.36506829       1.77763215
Cl       6.89412002      11.92800000       3.58694996      -0.41140106      -0.63720324      -0.00961332
Cl       8.16038001       9.78160001      12.35950003      -0.76993816       1.05308561       0.32914773
Cl       5.49119002       4.49629997       8.71610003      -1.36276313       1.02842788       0.19407933
Cl      10.70659999       9.27247005      10.27620004       1.26282354       0.82597212      -1.00416903
Cl       9.07154995       2.12076000       4.08168997       0.83670811      -0.08067262      -0.17353395
Cl       3.88907001       7.44849005       7.20410005       0.03612036       0.50557219      -0.20550522
Cl      12.03370002       0.51334399       4.58344005      -0.01351757       0.19831963      -0.27282178
Cl       2.87931002       3.59847003       4.81849002      -0.30854843       0.50865067      -0.18144950
Cl       6.31347005       0.38437302       6.89118004       0.05327315       0.10921227       0.19916512
Cl       0.77313306       8.26512005       0.39657994       0.84757651       0.87542162       2.30337440
Cl       0.10471696       6.48065005       9.29555996       0.13257640      -0.76927195      -0.71199620
Cl      11.34870003       9.00738003       4.23776002       0.81596069      -0.00324805      -0.06937152
Cl       1.58551999      11.46130006      12.19459998      -0.16983974       0.45847962       0.12709597
Cl      11.19119995       4.97730002       5.37052005       1.67564987       0.10597984       1.66985926
Cl       4.57420997      12.20170002       9.92525999      -0.61738392       0.64013693       0.78774986
Cl       0.02251052       3.02855998       0.73969797       0.99427796      -1.04526630      -0.57532134
Cl      10.39579996       6.14916998      12.09639995      -0.21907375       0.02028771      -0.52005514
Cl      10.21879995       0.65363203       1.10483997      -2.50683328       0.84469054      -2.84892336
Cl       9.24424000       2.32852997       9.77150997      -0.54072524      -0.38958225      -0.10327627
Cl       9.12627995       6.75986000       3.22323006      -1.47639544      -0.20024651       0.05979336
Cl       6.70130002       6.20546999      11.13229996      -1.53605033       1.62561353       1.24426869
Cl       3.45372002       6.71959998       2.36793003       0.36145917      -0.50547462       0.34117280
Cl       7.36006003       8.85624996       6.26064995      -0.40263200       0.21165592      -0.17115163
Cl       6.30095005       3.40188000       3.89224006       1.82255520      -0.67147127      -0.29999972
Cl       2.20739999       2.06650999       9.13033999      -0.56402434      -0.01910627      -0.33301747
Cl       2.88180998       6.02771004      10.77410004       0.50558374      -0.24572251       0.27398864
Cl       8.08472997       3.85321997       6.63861995       0.64956459      -0.19459972       0.66169073
Cl       2.31918002      10.80519996       3.95189006       0.23650523      -0.05852287       1.69780967
Cl       3.83840997       3.01900999       0.74797503       0.31960126      -0.41780435      -0.11916291
Cl      11.74020002      10.72060004       7.20844004       0.02690052       0.28335534       0.70178212
K        7.12852000       8.46876000       2.23283996      -0.45693975      -0.03418933      -0.05410748
K       10.95430002      10.74549996       0.86018404       1.11588782      -3.17310536      -0.50815933
K        3.52931000       1.22278997       6.23768004      -0.16690836      -0.31535302       0.16322106
K        1.64200006      10.99369995       9.25582002      -0.05247939       0.06793329       0.28823292
K        9.29620995      10.86650001       4.97366996      -0.15534143       0.33230763       0.24072721
K        6.17658003      10.36120003       8.90964001       1.02539506      -0.59759290      -0.51266111
K        5.85078001      12.21869999       0.51051904       0.94620782       1.45335490      -0.54561733
K       10.99140003       7.83439994       7.40022995      -0.53851900       0.03610269      -0.35900485
K        2.38291996       4.97767006       7.99571995      -0.32029710      -0.47147062       0.09666867
K        8.74154000       3.24853005       1.25614997       0.16961153       0.62653742      -0.02669086
K        3.79942004       8.21005004      12.39149999      -0.50040923      -0.74221664      -1.17312691
K       11.45819999       1.43287004      11.24409997       0.73687700      -0.51783528      -1.11026412
K       10.83399996       1.47723005       7.18159995      -0.30304291       0.43664766      -0.15929043
K        1.97582001       7.63332994       4.90807000      -0.16006561      -0.06672469      -0.44897227
K        8.48082000       5.05200994       9.73045006       1.45516073      -0.24695774      -1.08475608
K        5.71411000       4.93676998       5.89413997      -0.87103822       1.50017127       0.54816361
Li       7.06897995       1.47773994       4.99614003       0.21809737      -0.00755827      -0.11696528
Li       0.09843505       7.55778004      11.12599994      -1.34069881      -0.19332484      -1.28287579
Li       0.10912806       4.90854006      12.09150006      -0.39939123       0.57306460       0.21656662
Li       4.70987000       6.85898004       9.15616005       0.28435672      -1.00491596       0.78355687
Li       0.43954503       3.89525003       3.75180001       0.41203396      -0.41344435       0.68395570
Li       9.35539002       4.93070995       4.47877000      -0.97235735      -0.57827119      -0.04022110
Li       9.28040995       8.38401998      11.34979998      -0.33498256      -1.76770716       0.48953528
Li       0.21257903      10.87179998       5.26721997       0.32035460      -0.06689872      -0.91531434
Li       6.49145002       2.78242003       8.64752001       1.27502357      -1.66410130      -0.54565255
Li      11.20169999       6.93903001       3.17023995       0.35853417       0.56877506       0.13653908
Li       4.73682996       3.42666004       2.81491996      -2.63056777       0.05524389      -1.15359728
Li       3.64434000       5.22908999       0.56633497      -0.21795721       0.20943238      -0.29280815
Li      10.64049994       1.12326005       2.80702995       1.16454210       1.25355859       4.04924463
Li       3.08074001       1.77037006      11.18589998      -0.00958210      -0.27275235       0.11489834
Li       5.70519995       9.94107005       5.00548998       0.39303633       0.54850364      -0.02900438
Li       1.95361003      10.15830005       2.03596004       0.08442794      -0.19466711      -1.71424552
64
Lattice="12.40919302 0.0 0.0 0.0 12.40919302 0.0 0.0 0.0 12.40919302" Properties=species:S:1:pos:R:3:forces:R:3 energy=-536.2847435 stress="-0.013432970797722429 0.0014202681093073155 -0.002357776403024642 0.0014202681093073155 -0.01763183084390193 -0.004766897732028122 -0.002357776403024642 -0.004766897732028122 -0.01814313899767523" free_energy=-536.2847435 pbc="T T T" config_type=melt 
Cl       9.76154998      11.31630000       4.86287001       0.09015693       1.10423120      -0.05701002
Cl       0.73618394      11.14570003       5.27522998       0.01307133       0.09304454      -0.21931098
Cl       4.49486001      11.06109999      10.69020000       1.02330575       0.77332866       0.15710614
Cl       1.10386994       2.82229995      12.01880006      -1.48332345       0.39751457      -0.55482356
Cl       3.15366003       0.39736296       7.19621996       0.62967917      -2.08228245      -0.69784296
Cl       7.76760994       7.93966005       9.91562996      -0.69674292       0.41181971      -0.36984514
Cl       6.54478002       9.41683997       5.30578005      -0.65795321      -0.08966310       0.34561101
Cl       3.72956001       5.64252000       3.70691000      -0.45680534      -0.72100671      -0.77041393
Cl       5.60661996       1.40043005       3.28862998       2.38575452       1.31997710       1.29788886
Cl      10.18389996       7.01526005      11.86790005      -0.00232991      -0.02053949       0.51236609
Cl       9.41008006      10.94029997       0.56615404      -0.19929406       0.57363374       1.56649618
Cl       0.49446700       5.76053999       3.13207002      -0.83648610      -0.51608425      -1.90468769
Cl       4.17664002       2.96508000       5.64364006      -0.47875605       0.93859781       0.33271143
Cl       2.56746005       8.21548998       1.86116998      -0.00035062      -0.00061908      -0.08540469
Cl       7.60860003       0.90746704      11.07630001       0.12577381       0.47341829      -0.14466123
Cl      10.32610001      11.04960001       9.61320999       0.52185143       1.78430317      -3.37238099
Cl      10.93870005       7.81438999       8.09716994       1.36760036      -0.11602543       1.04297445
Cl       9.24765998       4.00601995       2.79996006       0.91672804       0.80400764       0.45127050
Cl       2.10198998       7.45978998       6.41959000       1.78290860      -1.16845627      -2.83620817
Cl      12.40509997       0.92296103       8.18388997       0.07306436       0.60411974      -0.13754523
Cl       5.31649005      11.03610005       1.87034000      -2.53805673      -1.09228317      -1.10989647
Cl       1.65700004       9.99546997       8.82782000       1.11470291      -0.37724835       1.42762701
Cl       8.97747003       4.37332003       9.59739000       1.91724072       3.39326767       0.32109515
Cl       4.06836001       3.22262002       9.59921999      -0.13313342      -0.10745966       0.18271643
Cl       8.65929000       7.62814997       3.08173002      -0.00355218      -0.23636612      -0.43135662
Cl       8.74077001       1.97934000       7.44945002       0.09820774      -0.58764519      -0.71477440
Cl       2.30907000       1.28291003       2.10873003       0.28261849      -0.12414530       0.86007312
Cl       0.37111503      11.27639998       1.17975997       1.14479341      -2.20579928      -1.40407175
Cl      11.19860005       6.89670002       5.29176994       1.32938620       2.93394054       4.50919457
Cl       6.60484994       5.33072997       0.86611005      -0.49897099      -0.27129206      -0.36004016
Cl       0.52384999       3.06615003       5.63727997      -0.08928033       0.20165227      -0.47550454
Cl       2.76257997       7.06331006      10.35030004      -1.31473302       0.92862048       0.35356503
K        6.91313004      11.69650006       7.94807994      -0.02461728       0.37442555       0.33147010
K        9.12125001       9.32823994       6.79410999      -0.23729257      -0.19706592       0.03468886
K       11.12380004       9.33094999       3.10462002       0.16616499       0.22660085      -0.17349034
K        3.66130994      10.36480006       5.61361006      -0.23003353      -0.02093980       0.06200259
K       11.08569997       1.70785999      10.51190000      -0.57603567      -0.27344159       0.22805424
K        0.23568495       5.72565006      12.18069994       0.48205739       0.10764229       0.05470612
K        8.06129000       1.88098002       1.73467005      -0.58876408      -0.80626046      -1.21389739
K        3.29219998       3.69471003       0.92250698       1.07711824       0.63819344       0.39091509
K        5.36861002       7.32815004       2.54784000       1.18222121       1.20800808      -0.50645243
K        5.07796997       5.89697001      10.19990000       1.84577382      -0.56810357      -0.00642076
K       11.38319995       5.04964003       7.34887997       0.00012191      -0.74353306       0.17288837
K        7.55790004      10.88920003       2.93776005       2.03679346      -0.25232916       1.33470713
K        2.74646998       0.87566401      10.85469999      -0.06772549      -0.36449390      -0.15588471
K        6.80333002       9.94179996      12.12929995       0.31873257      -0.23477042      -0.73648962
K        6.89972997       3.31522996       4.73354996       0.43395249       0.48169208       0.67238535
K       11.73470002       0.76936600       2.38561995      -0.72229009       1.59431285       1.17762722
Li       0.58016402      11.27610005       7.73200995      -0.58770524       0.73374897      -1.11219686
Li       3.33582003       9.46138996      10.68589997      -1.36419572      -1.73568512      -1.00836513
Li       1.83218000       4.71677001       4.31760995       0.10577382      -1.12559933       1.09781096
Li       4.39088995       0.48494295       2.23367001      -2.25485114      -1.13039356      -1.48976537
Li       1.28844006       8.07714001       8.03390006      -1.46757830       0.28514878       2.16569572
Li       2.33172000      10.14489998       0.94483099      -0.25606945       0.68315521       0.35721670
Li       8.80277006       5.85093997       1.20912000      -0.05328822       0.34540899       0.01774550
Li       1.51196003       7.50285001       3.75851996       0.47051171       0.40616005       0.61444898
Li      10.77699995       0.80315102       6.39963006      -0.09306161      -0.07337604       0.26865686
Li       2.78049996       2.06546005       8.12871994      -0.21902978       1.96537085       0.12531224
Li       9.76340006       6.77133999       9.50545997      -0.91220067      -0.11410904       1.05914522
Li       1.99512002       1.53167997       4.90928002       0.61463211      -0.26249132       0.30028646
Li       9.94135000      10.15080005      11.16350003      -0.25768294      -2.34343973       1.94231001
Li       8.17942998       2.70335995       9.55677000      -1.77981994      -3.22933522      -0.05030250
Li      10.68589997       6.22357004       3.78278006      -2.22141921      -2.61847006      -5.21453183
Li       4.36816003       6.11970001       5.56028999      -0.24726825       0.02540809       1.54480577
64
Lattice="12.40919302 0.0 0.0 0.0 12.40919302 0.0 0.0 0.0 12.40919302" Properties=species:S:1:pos:R:3:forces:R:3 energy=-539.0296348 stress="-0.01123284704467459 -0.0012277756175332153 0.0035784935415779603 -0.0012277756175332153 -0.016501952910034624 -0.0012045046625611079 0.0035784935415779603 -0.0012045046625611079 -0.008063433707795121" free_energy=-539.0296348 pbc="T T T" config_type=melt 
Cl       3.96001994      11.37239998       4.95740995      -0.16535433       0.44420205      -0.73561469
Cl      11.71980005      10.38670005       7.82689995      -0.17926839       0.10530350       0.17226515
Cl       5.45199000       9.36905006       1.00564001       1.25358404      -0.58547655      -0.56035555
Cl       2.12691000       3.86857995      11.72160001      -0.46318336      -0.84949394      -0.65338347
Cl       1.27309994       1.54155000       5.45470004      -0.13962300      -0.59644731      -0.67508132
Cl      10.57460005       5.60179998       8.68197004      -0.06800397       1.05383299      -0.66594406
Cl       3.59579002       8.04272001       5.35407005      -0.60318621      -1.22677441      -0.68871546
Cl       8.15771998       9.76981996      11.15959994       0.26786528       0.51371394      -1.20858702
Cl       4.65763995       0.69094201      11.53720002       1.40883413       0.15527995      -1.03958194
Cl      11.98799994       1.70042005      10.29960005      -0.69964153       2.24979586      -0.50025389
Cl      11.25449999       0.69890399       1.76226995       0.14109028      -1.14970343      -0.95729956
Cl       2.07932000       8.38596003      11.03200006      -0.22371305       0.31738570      -0.26264828
Cl      11.45539998       8.49258999       1.89220997       0.01769356       0.83870650      -0.12692359
Cl       1.42710001       6.05795000       2.42895000       0.22600318       0.04574414       0.90455285
Cl       9.08517003       2.77309999       9.37238999      -1.61243752      -0.12160879      -0.91489081
Cl       9.23742004      11.77470006       4.16557996      -0.35836142       0.13591891       0.09332080
Cl       6.16189002       6.89502006       8.63214998       0.56184940      -0.14691860       0.35990700
Cl       7.85854997       3.54106002       1.53362003       0.42671972      -0.33635976      -0.24905927
Cl       7.73292004       6.44000002      12.09550004       0.19741900      -1.47765603       0.66591229
Cl       5.31950995      10.59590006       7.70677003       1.87268012       0.07757643       0.31679074
Cl       3.50305004       3.10144996       2.08688998       1.47153038       0.11500612       0.62632913
Cl      11.03940003       7.35796002       5.45277004       0.31912081      -0.42799671       0.12115758
Cl      11.07959998       4.36625994       0.75374803       0.25267763      -1.14151218      -0.22168365
Cl       2.47471002      12.31399999       8.02198003      -0.41962386      -1.38203331      -0.35859652
Cl       8.18926005       8.02871004       4.13117001      -0.30856739       0.46292321      -0.08510464
Cl       6.01124999       2.31933005       4.28275004      -0.30743552      -1.10122139       1.39714254
Cl       9.77577004       3.26548994       5.39140000       0.27713193       0.03976201      -0.29996145
Cl       1.78453006      12.35660001       0.66361398      -0.19439948      -0.78220916       0.62167750
Cl      12.14049999      10.36699996       4.48596001       1.03292302      -0.32057144       1.88082869
Cl       5.79736005       5.64549995       3.63692997      -0.92573733      -3.99950442       0.30502819
Cl       1.71250003       5.10546006       6.54064999      -0.33158563       0.60281090      -0.13626790
Cl       5.29760003       3.15824001       8.42224997       0.04145686       1.12654259       0.79844295
K        1.70013005       7.82617997       8.18393998      -0.48985845       0.19272265      -0.14425310
K        8.33456996       8.55632001       7.21469005       0.10687993       0.19608549      -0.07632253
K        3.20108995       6.15128997      12.33833814       1.07726140       0.93511838       0.79442380
K        0.13572406      11.69469998      10.56810000       0.69231709      -2.39181912       0.16793978
K        8.38869005      10.45609996       1.38682002      -0.15078833      -0.07362432       0.77471462
K        2.38038998       2.08594998       9.46738000       0.37427915       0.91961975       0.41923710
K        9.31644997       2.15748004      12.03580003       0.88293796      -0.50420699       0.39207297
K        4.38567995       5.47322002       6.76976005       1.23229061      -0.03678871      -0.11844950
K        5.23993004      10.63109998      10.36979997      -0.19172919      -0.53956293       1.17757466
K        6.02539994       3.40164001      11.69350001      -0.43371363       0.16946442      -0.00557205
K       10.18719994       0.46984506       6.87468995      -0.04054381       0.17260433      -0.00623623
K        3.33427000       9.97566005       2.29912999      -1.30529168       0.41861311       0.72214613
K        6.19269001       0.95482300       7.21715005       0.08972122      -0.77193432      -0.71265254
K       12.10739996       6.56917997      11.87060004       0.13759501       0.45697483      -0.19449573
K        9.86241004       6.21320998       2.34092006      -0.88111831      -0.07635162       0.39385466
K        1.00034004       2.40513006       2.36262994      -1.22374381       0.24355459      -0.25386684
Li      10.03830005       1.76793996       2.94094003      -1.26615361       0.59561234       1.26170412
Li      10.25189998       5.34092003       6.21430000       0.16368790       0.11414277       0.31045204
Li       2.88754005       4.78887995       3.86110006       0.26678352       0.23775725      -0.70774450
Li       3.35198003       1.42563994       0.41950704      -0.93976126       0.97105800       0.96959725
Li      10.26160000       9.38743998       3.89455996      -0.43885626      -0.24950799       0.08951286
Li       5.99013004       7.45544999       3.60308005       0.61437931       4.08250486      -0.18826742
Li       7.31361006       7.82906002      10.73399999      -0.45939356       0.51288488      -0.81084899
Li       0.18224699      11.14269998       2.73574000       0.00169775       1.04307018      -2.13004486
Li       0.60369905       7.56468998       4.24584994      -0.09376096       0.01665380      -0.39652656
Li       7.19611995       3.67382995       3.45225996       0.19335716       1.28625364       0.36456429
Li      10.97059999       3.78582006       9.62837005       0.62475339      -0.81954763       0.58448091
Li       0.58638599      11.71980005       6.36646004       0.82710342      -0.20054485       0.20018882
Li       0.69384700       3.41875998       6.00274994      -0.92216895      -0.11366937       0.09392835
Li       3.99675996       9.56946001       6.63152996      -0.42892225       0.99844662      -0.60340657
Li       4.32484997       1.09091995       4.23870994      -0.72191226      -0.50768530      -0.16680019
Li       7.55206003       4.63209997       8.98509994      -0.06578584       0.08308387      -0.12430711
64
Lattice="12.40919302 0.0 0.0 0.0 12.40919302 0.0 0.0 0.0 12.40919302" Properties=species:S:1:pos:R:3:forces:R:3 energy=-539.49258071 stress="-0.016731073816702642 -0.0019608906716110284 -0.0019464166993292328 -0.0019608906716110284 -0.007165655771626149 -0.002541941073866405 -0.0019464166993292328 -0.002541941073866405 -0.009377489238669585" free_energy=-539.49258071 pbc="T T T" config_type=melt 
Cl       3.19274005       4.64564994       0.61909898      -0.36943425      -1.09032976      -0.76769265
Cl       1.13838003       2.03639002       2.93672996       0.32396091      -0.19744222       0.10561531
Cl       7.84014999       1.77348997       1.47952004      -0.42084757      -0.75582603      -0.53860553
Cl       3.72190999       8.74862999       0.84749899       0.08256551      -0.58423078       0.44921483
Cl       0.13300099       2.19921005       9.48104997       4.01160166      -0.27490469       0.51588621
Cl       9.10676004       9.36311995       1.56452003       0.52126273      -0.23374213      -0.59563989
Cl       3.80386005       1.86680996       5.87280000      -0.74953322      -0.62004703       1.28281541
Cl       3.17178998       0.75626995      11.38780004      -0.34219776      -0.12570889       0.78891499
Cl      10.65830006       1.32066996       7.45370005      -0.36087361       0.16515499      -0.83058161
Cl       7.69937005       5.27661000       4.51300001       1.59281010      -0.35032448      -1.39360000
Cl       5.31359002       5.18951000      10.12720000       2.24349783       0.42638155      -0.77203287
Cl      11.00889997       4.74408996      10.42280001      -0.10369080       0.25079006       0.64954027
Cl       0.66179306       9.69373994      11.39720000       0.10327169      -0.35422236       0.02535145
Cl       2.92143005      10.68589997       4.03585996      -1.80240459       0.81962879       1.64864073
Cl       9.04969997       9.24396998       5.53422001       0.17414902      -0.48014016      -0.70358186
Cl      12.39528852       7.31081998       3.80786995       0.12137325       0.61509128      -0.31527981
Cl       9.02258998       1.36345996       4.55751005       0.60135503      -1.92946139      -0.11711675
Cl       5.19260002       3.51294004       2.96725000       0.13485695      -1.22690087       0.58253181
Cl      11.73359994      11.37039999       2.52665006       0.84063044      -1.58872592       0.25453069
Cl       7.94064001       2.07829996      10.23850004       0.00237746       0.07608839       0.39819740
Cl      10.46359995      12.27795799      12.04660000       0.42402980       2.04952044      -0.67895484
Cl       3.76486999      10.79930001       8.48895000      -0.33740037      -0.32072300       0.39009341
Cl       5.91680995       7.25526005       6.88124995       0.53373255       0.66258061       0.23349851
Cl       8.68470006       4.57591996       7.70446006       1.11131484       0.71605796      -0.53586026
Cl       2.67612003       5.30693001       6.42474006      -0.65863901       0.17444945       0.35003167
Cl       9.85505995       9.69593997       9.40807995      -0.38680302       0.09583941       0.20431543
Cl       6.65972997       1.95142998       6.96644998      -0.62827341      -0.71492500       0.47421754
Cl       5.25741000      11.65569999       2.11447003       0.67634568       0.68842389      -0.86171732
Cl       6.46897002       8.67490995       3.37152004      -0.77878290       0.23163489      -0.64461753
Cl       7.69879005       5.93685998      12.39977643      -0.47610660      -1.20439513      -1.53944353
Cl       9.96868001       4.05090003       2.12858003       0.84446947       0.20731124      -0.41200235
Cl      12.39559887      10.24569998       6.24077998       0.10421309      -0.35888009      -0.20294489
K        7.93661000       7.13116005       9.50123005      -0.54171884      -0.25853957      -0.29447321
K        5.87011999       0.09699484       4.80636004      -0.05510191      -0.09577068       0.01704689
K        3.33790999       8.47038995       7.11702003      -0.31147064      -0.63188851      -0.65999951
K       12.16340004       4.51190999       5.66134003       0.05617707       0.11976816      -0.26121557
K        2.91082999       4.59400003      10.08070003      -2.39608468      -0.67572030      -0.51947825
K        7.99540997      11.40160005      11.62059997      -0.77040862      -0.03190093      -0.30680803
K        8.96006998      11.59309996       7.04418005      -0.19305763      -0.44308277       0.28383613
K        5.17396004       5.93417997       1.90534001       0.54183957       1.96914687       0.33800700
K        5.92906999       3.63644998      12.39980001      -0.54030555      -0.98469018       0.07133028
K        1.19330002       6.30574000       0.86407805      -1.19500555       1.19675977       0.48328029
K        5.52069995       4.73793996       5.78459000      -1.39284100      -0.86331288       0.77805806
K        4.42306004       0.93844597       8.88777005       0.45117663       0.96017481      -0.31189752
K        0.96854397       0.50998805       6.16647001       0.42240405       0.38080802      -0.44584185
K       12.37081647       2.70053996       0.03130703      -0.11719459      -0.13902172       0.26755551
K       11.25569996       7.18386004       8.98278997       0.22641196       0.24741622      -0.33453007
K        0.21576397      11.59779994       9.06409004      -0.22082515      -0.19552057       0.36769747
Li       3.56665001       2.47524002       3.97600000      -0.85494245       0.48874828      -1.35414335
Li      11.30770006      10.57279998       0.22826400       0.51284945      -1.21297686       0.62604377
Li      10.76180005       0.61381006       3.27962004      -0.24920628       0.99107869      -0.01584219
Li       7.51856997      10.70000004       2.32818003      -0.57850455      -0.30017929       0.40341629
Li       7.39417997       7.35386002       4.81364001       0.23671181       0.68125593       1.10647731
Li       0.89254995       9.72109005       3.87209001       0.16506876       0.01900647       0.38505297
Li      10.63400001       2.28462004       9.50752995      -2.70704012       0.54988349      -0.04433699
Li       8.28753999       7.07997002       1.41885001       0.97209371       1.56035364       2.03842292
Li      10.91720000       9.13334004       3.81594995      -0.94714816      -0.04457159       0.40358929
Li       8.48466002       2.87548997       3.32024997      -0.60423713       1.61851030      -1.09869520
Li       2.75311002       0.29641504       1.16646998       0.20718203       0.17425149       0.33578633
Li       7.18840999       3.44733003       8.48261002      -0.57313929      -0.23991622       1.12046951
Li       8.54839997       3.31476995      12.36290003       0.93148712       0.09278450       0.13080067
Li       8.50451002       2.43154998       6.22398997       1.11103896       1.30657740       1.07839239
Li       2.91298001       9.84109998      11.65660003      -0.24212438       0.49134243      -0.60611238
Li       4.28145998       9.89452006       2.91574999       1.62308446      -1.49879743      -1.42561293
64
Lattice="12.40919302 0.0 0.0 0.0 12.40919302 0.0 0.0 0.0 12.40919302" Properties=species:S:1:pos:R:3:forces:R:3 energy=-536.67781837 stress="-0.012688368714211612 0.0027758128550018097 0.0014205745486808694 0.0027758128550018097 -0.02176735863402258 0.0026885377829625116 0.0014205745486808694 0.0026885377829625116 -0.006237260973768417" free_energy=-536.67781837 pbc="T T T" config_type=melt 
Cl       0.71094203       4.68477997       4.89650997       0.58985895       1.28239526      -0.96141612
Cl       3.56326999      11.92050001       2.15340995      -0.58226876       0.43705052      -0.38358712
Cl       9.72343998       4.32867001      10.73100006       0.42711471      -0.68247089       0.46334389
Cl       3.32718001       7.78518000       3.37120001      -0.46511684      -0.14678225      -0.72294031
Cl       0.53025698       1.61003000      12.15510003      -0.65955016      -0.08845767       0.46186572
Cl       5.45682003      10.26980000       4.49721999       0.95172035       0.06345395      -0.12083019
Cl       7.38537999       4.85564004       7.63884000       1.42714692      -3.30825325       0.04514845
Cl       5.35552006       9.60249006      11.46959995      -0.41610127       0.00380121       0.05697983
Cl      11.12930004       4.16936005       7.07208001      -0.33184460      -0.41185859       0.59781636
Cl       9.44520999       7.92601999       1.67999998       0.30824231       1.09104862      -0.47435963
Cl       5.58510999       4.11984005       1.82442996      -1.58389759       0.58573361       1.76620580
Cl       9.24437998       4.81316995       1.88096997      -0.54331248      -1.23609317       0.47786081
Cl      11.32919998      11.24889997       9.95578996      -1.29205991      -1.62339300       0.78277744
Cl       3.06603003       5.43270003       8.30361995      -1.61556490       2.49722079      -0.07055421
Cl       8.90817002       7.84520996       5.75433006      -0.03243965       0.56041413       0.06416996
Cl      12.15940006       5.64863004       1.35508003       0.78446012       0.08429373       0.12413888
Cl      11.03279995       1.88909997       3.01812000      -0.60037368       0.02518395      -1.13061945
Cl       7.25786002      11.92909996       8.71345998       0.46405584       0.25878354       0.60354685
Cl      11.73909995      10.79130006       2.11109994       0.66171044      -1.39980467       0.69363334
Cl       4.79775997       1.84758005      10.66449994      -0.88711252       1.41167585      -0.87019230
Cl       8.47678006       1.05263002      11.96829998       1.03154466       0.22998134       0.64905142
Cl       1.20519001       2.01353005       8.93864998      -1.18157792       0.25174981       0.26876935
Cl       4.57130001       7.33322006       6.28654000       1.10075096      -0.78365347       1.30121094
Cl       3.20168001      11.91590005       8.39464994      -0.53475572      -2.47865547      -0.13273928
Cl       0.43175405       5.74427998      10.17320001       0.39512804       4.26537795       2.98912993
Cl       7.43206003       6.98450995      10.37739998      -1.45849947       0.02534141       0.24780234
Cl       7.58981996       0.41397403       4.21864998      -0.00526534       0.44191610      -0.42111042
Cl       3.24952005       2.35768996       6.66802006       0.68375337       0.10636304      -0.68076479
Cl       0.80232295       9.31680003       7.01123004      -0.17089864      -0.77564977       0.23751578
Cl       1.50721996       9.05090999      11.79150000       0.24709777      -0.28758141       0.03145913
Cl      10.49820000       7.81628997      10.04139999      -0.75546261       0.57208943       0.39313024
Cl      10.99210003       0.09804094       6.14418000      -0.20451345      -0.83923887       0.38075947
K       11.01190002       7.08438000       7.41236999       0.89841550      -0.38141607      -0.08695103
K        9.46389004      10.51560005       3.79819004      -0.31927886       0.05294548       0.37089523
K        5.48446002      12.17570003       6.64652001      -0.18721371       0.45481822      -0.48980640
K        0.24011106       2.04566006       5.11952004       0.82539116      -0.65734607       1.12852155
K        9.40827005      10.36209995       7.86068001       0.37770791      -0.38396399      -0.28575149
K        4.36647995       7.06138999       0.12121995      -0.15814231       0.03795689       0.28695789
K        0.39537600       8.50297996       3.15419003       0.36872507      -1.13101757      -0.38680856
K        6.80136999       3.73316996      12.08139997       1.40714469      -0.16847956      -1.94146951
K        7.31607999       7.65407005       3.43259002      -1.04314652      -0.57901701       0.11461788
K        8.28748998       9.50385000      11.35640006       0.42704891       0.32149232       0.12812611
K        8.87400999       2.35314001       6.82248994      -0.40001926      -0.25655004      -0.34896290
K        3.01747000       8.48813000       9.09299999       0.04881341       0.01214937      -0.14722386
K        5.96830996      12.35450000      11.96870005       0.24372075      -0.88718628       0.46207107
K        2.36561001       4.07468994       2.37389004       0.21253682       0.07776991      -0.45092456
K        2.66946995      11.69630002      11.77380002      -0.04725270       0.08208042       0.12152567
K       10.63859997       1.39912001       9.53302004      -0.71458281       1.17975117       0.16535308
Li       6.54481998       6.49770996       7.54514997      -1.92956640       3.36904941      -0.34212992
Li       1.06325006      10.65660000       5.52747996      -0.12126551       1.14001961      -0.29816813
Li       0.41228700       4.25841996       9.24183994       0.00876101      -4.45572590      -3.09069007
Li       5.49776999      11.62520006       2.80321995       0.63594501       0.24952085       0.64018055
Li      10.23269998       6.44572004       0.01111864      -0.35378101      -0.54006186       0.20882000
Li       2.49256002       4.32100994       5.89683003       0.97301105       0.44851586       1.10633275
Li      12.30089998       7.67466000      11.20940002       0.61907489      -0.01524170       0.03520626
Li      11.30010005       4.93868001       3.79850002      -0.82435775       0.00466711      -1.15037405
Li      11.23970004       0.08679585       1.39509000      -0.21515728       2.51946936      -1.13214334
Li      11.18729999       3.15629996       0.07766504      -0.02305301       0.50083136       0.13575213
Li       4.04803003       8.93377999       5.17681006      -0.72111914      -0.20926051      -0.61980620
Li       3.25960997       1.33489995       9.13980002       0.22367438       1.25284941       0.31340828
Li       8.65982000       5.65637995       9.36622001       0.49343578      -0.35585694      -0.25427292
Li       8.91307997       2.45768994       2.46224995      -0.31976463       0.22203976      -0.05173274
Li       0.51679797      12.21179999       9.41649003       2.16282751       0.84719241      -0.88826740
Li       3.95360997       3.82223000       8.34194996       1.69949816      -2.88397718       0.08051252
64
Lattice="12.40919302 0.0 0.0 0.0 12.40919302 0.0 0.0 0.0 12.40919302" Properties=species:S:1:pos:R:3:forces:R:3 energy=-533.89847242 stress="-0.016271782967961782 -0.0025819866276256174 -0.0026939844296597045 -0.0025819866276256174 -0.015141196510461528 -0.00446588154333902 -0.0026939844296597045 -0.00446588154333902 -0.013524936788292448" free_energy=-533.89847242 pbc="T T T" config_type=melt 
Cl      11.70920000       4.99629006       3.81433006      -0.06602455       0.25521481      -0.40107338
Cl       6.37671996       8.18427999       3.30909001      -0.39080230       0.28865896      -0.55577364
Cl       7.68837005       0.65020498       3.57978998       0.86010028      -0.10933656       0.13542285
Cl       0.01954795       2.29685005       7.32116006       1.28815068       0.17340338       1.05131198
Cl       1.12784003       9.23428994       6.05757003       1.27074750       0.02921057       0.90056767
Cl       5.39211998       3.04324005       3.10235000      -0.20313155      -0.17815449       1.58928618
Cl       7.62549999       5.58167004       6.79916004      -0.65275763      -0.20073298       0.23118215
Cl       6.17239999       8.21485997       9.39951996      -0.66791970       0.13071517      -0.26862259
Cl       0.05498985       9.41956006       2.48506996       0.92376669      -0.34170977      -0.34918991
Cl       6.99184999      12.27110005       8.67483996       0.48923964      -0.59269758      -0.10829251
Cl       3.34851997       6.62621001       5.00757994      -1.27853452      -1.63742463      -1.83741282
Cl       4.40202001       3.59080004       7.05156004       0.33516414       0.28667847       0.62943627
Cl       6.59814004       6.48955005      12.20903596       0.07500863      -0.01513347      -1.08423349
Cl      12.31760002      11.65940004       9.36138006       1.11813695       0.15991652      -0.19945674
Cl       4.26789996      11.26900001       5.74994999       0.22472192       0.04845638      -0.95751897
Cl       9.97816001       2.76384000       5.90713004      -1.79950411       1.18716405       0.05462040
Cl       8.56313998      11.22850000      12.11579999      -3.53008622      -4.03919158       2.31568209
Cl      11.18299996      11.86010000       5.32375997       0.28155355       0.11174785       0.62716198
Cl       9.99918999       9.00118002       4.94558001      -1.45664824      -1.02835544       0.13608575
Cl      11.50210000       6.25268995      11.97719997       0.55778144      -0.13582824      -0.05669990
Cl       1.60430999       1.94780998       3.13613006      -1.54552746      -0.98767878      -2.55244949
Cl       3.87656005      10.96070006       1.92792002      -0.99137791      -1.57314503       0.41471957
Cl       4.45249006       4.38531004       0.29488797      -2.01533000      -0.55367824      -2.34421471
Cl       9.57487005       9.28151002       9.15230005      -0.97478719      -0.19396240      -0.10187925
Cl       8.38598001       5.10917996       1.94370005      -0.39102843       1.48022538       1.52371534
Cl       2.90936000       5.80271995       9.00113994       0.39996071      -0.54351751      -1.51427493
Cl       2.52404996       8.03879995      11.39800002      -0.81929627       0.32243757       0.61037197
Cl       1.29565998       2.17904995      10.66949998       0.69291590       1.64068337       0.48508032
Cl      11.53889995       0.56570806      11.93860006       0.47212321      -0.53157055       1.88959501
Cl       4.25233002       0.06187770      10.29239999      -0.83610848       0.64689588       0.84248693
Cl      11.74259996       6.14604001       7.77245002       0.40519671       0.26570521       0.31574313
Cl       9.87061996       2.81013001      10.86219998       0.27503069       0.02362421      -1.16265420
K        0.39485903       2.92500005       0.83820302      -0.53545381       0.67746170       0.07424367
K        1.54829005       7.00604002       2.19477997       0.18387440      -0.60144238      -0.07074320
K        6.01078998       4.84109994       9.42875999      -0.15938092       0.04331511      -0.38988011
K        5.22920999       0.61371501       1.33622997       1.47945810       1.59044009      -0.37130884
K       10.13550002      10.70789998       2.84627997      -1.30003767       1.55519742      -0.59840786
K       10.20330000       7.63311998       2.06382997      -0.38043473      -0.83206154       0.14309658
K        6.69771997       1.85899999       6.58398997       0.54484545      -0.29007639      -0.44645224
K        2.01389004      12.23940002       0.25022195      -0.50751275       0.00811240      -0.61977059
K        1.29302997      11.54989996       4.09333997       0.67223578      -0.06052019       0.26529321
K        4.66357006       7.82269001       6.71339998       1.42347393       1.17370046       1.51902213
K        8.04839995       4.06076000      12.11219996      -1.56212057      -0.46749390      -0.73890886
K       12.09929998       9.09318997      10.18510006       0.35616209      -0.77642792       0.33652050
K        2.98440000       2.35230003       5.07212996       1.17956380       0.08205504       1.90205150
K        3.76919000      10.64500001       8.31908999      -0.22739481      -0.63089802       0.54498934
K        7.62517996       9.83400006       6.52363996       0.28299074       0.14272471       0.20692224
K        9.58698998       5.82328000       9.68975001      -0.16037592       0.56381176      -0.33621638
Li       9.59236999       0.07058560      11.41419997       2.39663934       3.43759616      -2.34023428
Li       5.33496001       4.69799998       5.32688994       0.29793706       0.32904084      -0.24495789
Li      11.07290001       4.52060002       6.48697998       0.15062698      -0.17258252      -0.64768253
Li      11.68779997       2.30220002       9.81660001       0.34019357      -0.44297067      -0.47402026
Li       9.47819002       3.68586997       2.78058000       1.10212020      -0.81977044       1.61170563
Li       2.35397999       1.12980999       9.28542004       0.50416299      -0.56790786      -0.56552697
Li       1.48007994       5.68452003      10.49119998      -1.25600094       0.18474353       1.01478859
Li       5.64735003       4.61207997       1.79982005       1.43386909       1.16233411       1.08088383
Li       3.86594001       6.70176003      10.57910000       1.57445736       0.57557871       0.90824055
Li      11.97060002       8.50707996       4.99035995       0.12275166      -0.47128639      -0.31417423
Li      11.53570000       0.29970695       7.78955002      -0.37428284       0.02629533      -1.41285113
Li       7.39033995      10.14850001      10.15359994       0.55803975       0.29343844      -0.45087953
Li       1.49090994       6.03885995       7.25378001       0.06234373       0.18576641      -0.61532785
Li       9.97756003       1.07784005       4.90774997      -0.84157403      -0.86910419      -1.02238158
Li       4.16892002       9.27256994       3.19867003       0.77439669      -0.27613488       0.74943051
Li       6.64643997       8.23084003       0.83674097      -0.18630782       0.85844452       1.04381298
64
Lattice="12.40919302 0.0 0.0 0.0 12.40919302 0.0 0.0 0.0 12.40919302" Properties=species:S:1:pos:R:3:forces:R:3 energy=-534.66556176 stress="-0.01967856647680775 0.003742176712706155 -0.006006486697574461 0.003742176712706155 -0.014732658387072129 0.003424535072332021 -0.006006486697574461 0.003424535072332021 -0.016540427095214794" free_energy=-534.66556176 pbc="T T T" config_type=melt 
Cl       7.35710999       1.94049997       5.58944998       0.28217693       1.04197288      -0.30286711
Cl       5.29229994      11.61050001      11.44099998       1.82588904      -0.73271024      -0.35927647
Cl       5.85595006       9.16510000       5.28703000      -1.99037824      -0.28317743      -0.31802612
Cl      11.78239997      12.29080001       6.55559004      -0.98221590       0.17049335      -1.73398771
Cl       2.74797000       7.19997995       5.29989002      -1.50043014      -0.60245909      -0.60077131
Cl       6.65636001       5.80097001       4.10725005       0.19993887       0.49090912      -0.55151561
Cl       3.38990997       2.56092003       4.58573997       0.15915238       1.17118113      -0.53421930
Cl       1.97337999      11.88929995      11.53889995      -3.67727332       0.44866013      -2.25896436
Cl       3.28835003      12.28480004       2.27087004      -0.16053025       0.08853681       0.10891571
Cl       5.91596997       3.76924001       8.20778003       0.49130290       0.88304481      -0.02704278
Cl       9.39502001       1.43963999       2.35602006      -0.47621195       1.52918663      -0.10639920
Cl      10.11700002      11.01330002      10.04819998       1.09075998      -0.55317034       0.41191575
Cl       5.50902997       0.43398497       8.40846001       0.71961991      -0.65098980      -0.24049779
Cl       9.44428004       5.10664997      11.57760001      -0.50943843       1.46028961      -0.82714793
Cl       5.89032005       5.05905997      11.79030003       2.23405718      -0.15860930       1.80394028
Cl       7.88980997       8.51957006       9.23474002      -0.51956776      -0.40414988       0.22443111
Cl       3.52478003       0.02670694       6.20514996       0.48574232      -2.20142988      -0.77898245
Cl      11.34089999       4.57760996       3.30663994      -0.00986152       0.90523035      -1.11884492
Cl      10.93870005       9.28402996       4.60370997       0.04933859       1.47052665       0.68881816
Cl       0.65907396       8.67551006       2.12065006      -0.00585679      -1.65433168       0.54269034
Cl       2.33592002       4.31471997      10.15830005      -0.21562238      -0.24669738      -0.06854057
Cl       0.04450694       8.84568005       8.47311997       0.39795478       0.68677978       0.45082577
Cl       0.19036596       1.33419002       9.49129004      -0.36229638       0.60947747       0.00880795
Cl       3.75081000       7.40077000       0.71573396      -1.01124115      -0.27276443      -0.87537695
Cl       8.46430001      11.54210004       6.52735999      -1.02608398       0.91959122       0.70431980
Cl       8.58312002       1.58408995      10.00600003       0.13889643       0.47621121      -0.29046940
Cl       4.69164995       7.25224995       8.94505995      -0.15432423       0.00876424      -0.39565280
Cl       7.51986003       9.65714995       1.45752003       0.38437286       0.03015008       0.95472794
Cl      11.50150001       3.50773004       6.55412005       1.20832236      -0.74797207       0.70846643
Cl      11.65170002      12.03220000       1.06633002       0.19553945       0.50252436       0.26150579
Cl       9.76887996       5.99274999       6.18982002      -0.87844500       1.36832442       0.18629506
Cl       3.63525994       3.55481003       0.84480905      -0.17952241       1.12401965      -1.83783407
K       10.48110001       2.97391001       0.07950694       0.87828409      -1.68747712      -0.06568162
K        1.59817997       1.60306001       6.71973003      -0.60906339       1.75128574       0.40474317
K        6.26344003       8.27170996      11.85519999      -0.25325715      -0.18115864      -0.87625089
K        4.13030000      10.25360004       7.92986994       0.34463254      -0.13884548       0.54315090
K        7.80952001       3.87858995       1.73052004      -0.71275897       0.51319664       0.00246042
K        8.95745003      11.92390001       0.35758405      -0.55394763      -0.43411149      -0.94714496
K        1.51140000       5.93405004       2.52484998       0.61586386      -0.05332059      -0.02936216
K        4.98910997       7.95068996       2.85597999       0.91172518       0.51241236       0.94971230
K        1.72955002       9.76378003       4.71933995      -0.35069029       0.98803658      -0.16164249
K       12.08230001       1.92859000       3.04357001       0.78445518      -1.17237146       0.46257356
K        8.49885006      11.84170002       3.86443999      -0.15549768      -0.83760228      -0.39318580
K       10.35879997       7.81111000      10.70350005      -0.03471807       0.58660120       0.15090349
K        2.42305998       7.19035997      10.73580006      -0.49620069       0.34565990      -0.33507919
K        4.83875002       1.88769997      10.62349997      -0.21628834       0.66025064       0.58414447
K       12.31560003       6.29953006       7.63511997       0.43272803      -1.02555723      -0.52897572
K        9.62557004       9.43186005       7.35821999       2.50053905      -1.25524069       0.47664930
Li      10.28430001       4.24464997       5.10452006      -0.91136914      -0.01153652      -0.30659670
Li       3.54340995      11.65129994      12.40746243       2.36025354      -0.41284037       3.01635920
Li       0.29352804      11.76510006       8.21401999       0.21645037      -0.79405610       2.07355244
Li       1.33171005       2.34289994      11.25400002       0.65745973      -0.32891219      -0.51991735
Li      10.70109999       2.10183002       7.95136006       0.15652542      -1.09049773       0.66252024
Li       5.44816002       0.97459606       5.23363995      -1.16996364      -0.10334070       0.25854675
Li       4.59631000       7.34373995       5.96389998       1.81815094      -0.09503458       1.05387959
Li       3.05431997       2.57992000       2.33768002      -0.10011700      -2.31489614       2.41245010
Li       7.92916994       4.90837998       8.88265002      -0.44057562       0.07388933       0.35081985
Li      10.40020002       7.51043004       3.96906004      -0.47352772      -1.69635401      -0.29814878
Li       7.56043995       9.62875995       6.02600998       1.21250632       0.41870213       0.73852870
Li       8.23827003      11.52430004       9.42730005      -1.21846725       0.46761213      -0.46360350
Li       7.14541003       1.81612002       8.16793001      -0.01375860      -0.06503166      -0.31248589
Li       0.53420000      10.33689998       1.07830005       0.45591101       1.66202023      -1.09419445
Li       6.22422004       4.26890002       5.39083005      -0.26702578      -1.34098225       0.92254956
Li       4.83779004       5.17975998      10.22480004      -1.57202249       0.18208802      -2.56051779
64
Lattice="12.40919302 0.0 0.0 0.0 12.40919302 0.0 0.0 0.0 12.40919302" Properties=species:S:1:pos:R:3:forces:R:3 energy=-534.3169025 stress="-0.020150100844612204 -6.937512915679665e-05 -0.003000268333462378 -6.937512915679665e-05 -0.01365960834522246 -0.0010915208706058783 -0.003000268333462378 -0.0010915208706058783 -0.02377357641193213" free_energy=-534.3169025 pbc="T T T" config_type=melt 
Cl       7.68836000       1.56413994       7.67175997      -0.15652222      -0.56701250       1.27954408
Cl       5.93202995       0.60476500       4.49706003      -0.75730464       0.02222429      -1.18743141
Cl       8.31239995       7.27393998       9.61686003      -0.50622199       0.25439233       0.55244417
Cl       1.56377002       3.96641998       6.08094002      -0.23714003       1.06296579      -0.14981518
Cl       8.63631997      10.92610000       6.49201005      -1.40333641       1.27462334       1.04423370
Cl      11.86329996       0.28743898       5.97959004       0.80789412       1.10171072      -1.08382032
Cl       7.39585000       4.50468995       1.26827996      -0.57844244      -1.18090438      -0.77764881
Cl       4.47397000      10.71900000       9.41109004       0.80361140       0.61784439      -0.53002531
Cl      12.02039997      10.74339995       8.14365999      -0.47297735      -1.23988114       0.76247759
Cl       5.80493003       1.80763995      10.26949994      -0.00286977       1.26022905       1.50318991
Cl       5.12548998       7.53347999       1.24343998      -0.47990752       0.23296309       0.58249797
Cl       1.72741005      10.98880006      10.87579996      -1.07234748      -0.30972206       0.47422605
Cl      12.20030002       8.21858000       3.34701002       0.12192732       0.12594075       0.57731104
Cl       3.81896005       3.32422997       2.54285994       3.10917878       2.39468045      -4.24609888
Cl       8.24326002       9.91740001       1.16472003      -0.01149407      -0.55791751      -0.08022692
Cl       3.36884003       1.31296000       7.35461003      -0.76213705      -0.18760068      -0.81409880
Cl       0.57188995       2.16237001       9.42940998      -0.01939493       0.12487441      -0.50336696
Cl       1.33094998       6.00255996      11.62280000       0.67788781       0.40107759       0.28928073
Cl       9.53196005       0.21456500      11.00780002       0.07823833      -0.27366273       0.55467409
Cl      11.54260000      12.37114011       1.64812002      -0.57812906       0.34173129       0.98962944
Cl       8.51086998       8.36799996       4.87486002       0.14781872      -0.77176332      -1.27487537
Cl       6.60873005       0.33246300       1.41979000       0.58120899       1.04601458      -1.61892218
Cl       1.61273000       2.69619997       0.51832405      -1.50085893      -1.88777201      -2.06479614
Cl       2.96526999      11.34229999       2.25411006      -0.35415894      -0.10762740       0.42241668
Cl      10.22919997       5.72500006       6.97984000      -1.14193228      -1.73371399      -0.18659139
Cl      10.88599994       9.00921001      11.22339994      -2.35459297       1.94393671       2.01836771
Cl       6.06128001       3.84042001       5.55871998      -0.21568928       0.29322257      -0.67482863
Cl      10.59700001       4.50348005      10.18659996       0.04199489      -0.18814994      -0.21939328
Cl      12.12609999       7.06079000       8.89131002       1.37758416      -0.46694779      -1.17004479
Cl       4.12577995       8.65602999       6.40527996      -1.97711743      -1.57386735      -0.38213671
Cl      10.23409999       3.81961997       2.96764995       0.06329225      -0.31525497       0.68450725
Cl       5.22312998       5.84415003       8.36240006      -0.57605040      -0.30753512       0.62952589
K        1.91400994       8.39021006       1.57721997       0.49103876       0.05209777      -0.80699874
K        9.89739006       3.46501003       0.26219496      -0.21836087      -0.75500128      -0.14788825
K        7.95408003       3.92941006       8.79287000      -0.17949712       1.36092208       0.39444338
K        1.97136002      10.64320006       4.92450995      -0.29732666      -0.01657746       0.24872755
K        5.57511997      10.66879998       5.97669994       1.57007393       1.64908949       0.30271321
K        7.53973000       5.91449005       3.51265004       0.32094097       0.43873713       0.66505229
K        3.97391005       5.94676003       4.81869999      -0.07004393      -0.07698739       0.39219432
K        9.80015001       0.85561200       3.88954999      -0.25679698       0.12530935       0.13571705
K        2.98557999       8.32021005       9.26055996       0.02499561      -0.29509221      -0.06379940
K        6.79733998       7.72814995       6.80681006       0.18118434      -0.31948078       1.27918218
K       10.02619997       0.74767200       8.29290995       1.51188497      -0.03986665      -0.15758095
K       11.48409997       5.61030003       4.75739001       0.92742896       0.28021063      -1.44238536
K       10.79860001       9.89557001       5.62391006       1.22024526      -0.89657213      -0.75834956
K        3.20610997       3.71015004       9.52380994       0.11081235      -0.11895486      -0.22144776
K        5.63626006       5.53567003      11.67139998       0.01161664       0.11418225      -0.48301046
K        3.95415002      12.06660002      12.18530003       0.97136108       0.51581391      -0.94267978
Li       4.25371005       2.55277005       3.95087002       2.71579494      -4.12093996       7.77823270
Li       1.03486999       0.16895700       1.02593996       1.33744145       0.19328324      -0.57993501
Li       1.15283997      11.99330003       8.82141003       0.71660589       0.77880325       0.74270616
Li      12.23829994       4.51247002       7.94617004      -0.35801800       0.22641584       0.41412749
Li      10.29060004      10.92080004       9.78334002       0.24444399      -0.57032274       0.37157037
Li       6.23966005      10.92830003       1.84883996      -0.06087957      -2.68987851       0.58997397
Li       8.95243994       8.41385999      11.76259998      -1.03342641      -0.20026520       0.05255750
Li       0.11985506       4.18947001      11.28490003       0.26975572      -0.41061892      -0.26964817
Li       2.32128995       3.86860998       1.82929995      -3.96865996       2.98589594      -1.00725972
Li       4.76728001       0.82860103       8.85737001       0.08173730      -1.45436916      -0.39951138
Li      12.37789269       8.41066996      10.34730000       3.00433583      -0.29474436      -0.74927813
Li       1.15688996       1.90894004       6.42720006      -0.04742392      -0.77194183       0.48990326
Li      10.04580004       7.21444001       8.30981003      -0.12879436       0.79485496       0.92433987
Li       6.83652995       1.64733998       6.00163994      -1.02627502       1.02555508      -1.56658831
Li      10.10999999      11.09659996       0.86381497      -0.65887633      -0.44283254      -1.02072167
Li       6.40542999       2.19093994       1.99770995      -0.05933047       2.10417663       0.43543615
64
Lattice="12.40919302 0.0 0.0 0.0 12.40919302 0.0 0.0 0.0 12.40919302" Properties=species:S:1:pos:R:3:forces:R:3 energy=-535.29030431 stress="-0.019193803180478915 -0.002063221281027945 0.0010487930033337809 -0.002063221281027945 -0.014665648602628768 -0.007923656159494499 0.0010487930033337809 -0.007923656159494499 -0.022760195315914576" free_energy=-535.29030431 pbc="T T T" config_type=melt 
Cl       7.18748997       1.25153996       0.03072119       0.98559976       0.73386591       1.83411747
Cl       6.83329003       3.89957997       3.92455000       1.08311722       0.00305305       1.75124066
Cl       0.57721101      11.80740002       7.93155995       0.24448933      -0.14674851       0.56572488
Cl       9.26260003      10.65359996       6.99770005       2.47609126       0.31686969      -0.54710772
Cl      11.68750004       7.81372002       4.20686001      -1.34394031       1.85324011       2.70876977
Cl       9.63174994       6.34861003       1.46917995       0.19587032       1.90604268       0.18992512
Cl       6.46769002       4.48966998       9.28908000      -0.38094866      -0.35673372       1.05532248
Cl       6.59158998       7.14700002       5.91748997       0.58536002       0.06187602      -0.80492301
Cl       3.40744999       1.85681001       9.64740997       0.12437818       0.97583896       0.24210932
Cl       1.10627000       9.05065994      10.84649999       0.18141456       0.65303814      -0.51241044
Cl       8.76680995       4.38184998       7.27342004      -0.43543155       0.71192096       0.58130184
Cl      10.18729996       3.89976996       4.03423002       0.86819728      -0.05695363      -0.77127516
Cl       3.52601003       2.52935005       3.49490998       0.64618984       0.17403341       0.96903705
Cl       1.11081996       7.61772997       1.68066996       1.54681394       0.11738763      -0.59772892
Cl      11.47189999       4.26717005      11.49289994      -0.82829398      -0.62742459       0.70683839
Cl       5.11510994       7.75209001       8.71106004       0.28866150       0.10215849       0.97432753
Cl      10.61719995       1.40723996       6.99721994      -0.82209290       0.91900360      -2.17710747
Cl       0.91577996       0.57921298       3.68513001      -1.28283152      -1.17510352       1.15575711
Cl       1.24019001       4.34187004       9.27338002      -0.54461800      -1.40692021      -1.87203784
Cl       9.29186996       8.14297004       9.45890006       0.55211508      -0.94679381      -0.34632857
Cl       1.00478005       7.01417996       7.71859003      -0.01521718       0.85028760      -0.24435938
Cl       6.31112000       9.37992001      11.89409995       0.60448961      -0.52758607      -0.80406442
Cl      11.20070006      10.10890004       0.69696295      -1.93692867       0.20148838      -1.88844866
Cl       1.04086003       1.08652003       0.46804299      -0.96934923       0.05452043      -0.23515265
Cl       3.58643002      12.29620000       1.39440005       1.64626379      -1.65579947      -0.67001872
Cl       4.63354999      10.71900000       6.15723000      -0.20379057       0.43379168      -0.98108046
Cl       3.16729997       5.35137006       5.12126999       0.20505830       0.24307837      -0.76994922
Cl      10.26069996       0.02551826      10.15750003      -0.32232286      -0.94229955       2.73234258
Cl       8.25465997      10.62769998       3.57017000       0.31898297      -0.05737628      -0.20353328
Cl       2.63360006       5.16957004       0.12100700       1.55503391      -0.43546486       2.16992937
Cl       6.81959004      11.51460002       8.34462997      -0.50045300       0.24830812       0.71673958
Cl       5.80737005       6.34407001       1.91712998      -0.51568249       1.46490487       0.36489671
K        5.55617994       3.69724001       1.72164995      -1.00653043      -1.62085302      -1.77052459
K       10.87119999       1.51182998       1.29601004      -0.46864404      -0.24092309      -0.06219722
K        1.20946994      10.50170002       1.10329006       2.17651922       0.53850066       0.33216935
K        3.82890999       5.07637005       8.15182003       0.01014906      -0.25430068      -0.09592921
K        0.61422900       2.95527997       5.26928995       0.17887682       0.26433393       0.08833283
K        7.59637996       6.14868999      11.87779998      -0.39940083       0.26593857      -0.71164601
K        7.27988001       0.58749202       5.27536003       0.16531667      -0.24788191       0.10513134
K        6.19590995       1.11561003      10.10429995      -0.34293007       0.77348141      -1.02412068
K       10.90900001       5.80913005       8.10906006       0.52170439       0.11674736       0.08675414
K        3.49757994       7.83685001       6.47814997      -0.30597763       0.80100098      -0.34603211
K       11.90029996       1.91345996       9.23880999       1.40889888       1.19833855       1.04100376
K       11.84149999      10.02699999       6.12281000       0.42501415      -0.38322593      -0.49117927
K        6.18133994      11.35389998       1.34896999       0.64639461      -0.03112705       0.65029101
K        3.71078006       8.05049003      11.75070006       0.16866250      -0.08164400      -0.19438454
K       11.59049999       7.01545004      10.94280005       0.00568355       0.38544424       0.58059690
K        3.42892000      11.87769996       8.57480996       0.00140212      -1.56763368      -0.23178075
Li       2.47877006       1.07350005       2.48984005      -0.82375686       0.98863277      -0.52195429
Li       9.22840004       3.14621005       5.80669003       0.35382513      -0.90372831      -0.66533983
Li       7.48351003       9.90518006       7.07344006      -2.17568724      -1.30407321      -0.28195579
Li       7.28700004       6.00062995       7.94026004      -0.31087625       0.32356057      -0.16622396
Li       9.74313002       0.00010610       8.29565995      -1.13864310      -0.44256326      -1.77836912
Li       9.66672997       4.43290004       1.90460005       0.05667065      -1.40654133       0.46427109
Li      11.98730006       6.76530999       2.69850001      -0.55300412      -1.98149299      -1.99970043
Li       5.36728001       5.98092999       4.26056997       0.14287250      -0.62307245       0.17389940
Li       1.82609006       5.34719002      10.80910005      -0.69217708       0.88814193      -0.36414779
Li       8.01359998       9.61119002      10.09329995      -1.27739924       1.03714491       0.60350684
Li      11.54680002      10.63420004       9.62391999       0.68561813      -0.12880725       0.21091918
Li       8.27056000       6.81855002       4.07220004      -0.11411932      -0.17486124      -0.00598879
Li       3.82822004      12.34910001       4.81647998      -0.53707212       0.15953898      -0.43146535
Li      10.42659995       9.78320997       2.44934997      -1.24214521      -0.46320224       1.95966017
Li       2.28146004       1.89823996      11.49190001       0.54920990       0.65861327      -0.34765206
Li       2.88406001       6.22523995       2.32837002      -0.11468068      -0.23299035      -0.09879814
60
Lattice="8.95602 0.0 0.0 0.0 8.95602 0.0 0.0 0.0 8.95602" Properties=species:S:1:pos:R:3:forces:R:3 energy=-414.09232367 stress="-0.3852993576337174 -0.002005452200641674 -0.004773670824244748 -0.002005452200641674 -0.30691035083539775 -0.007387555277201558 -0.004773670824244748 -0.007387555277201558 -0.36596782065589356" free_energy=-414.09232367 pbc="T T T" config_type=melt 
Cl       0.14651064       0.44698332       1.93386444       0.43418099       0.63178382      -0.11210774
Cl       4.98974803       3.42949291       0.23863942      -1.27058352       0.02991271       1.13312021
Cl       3.40121876       5.75954481       1.51864544       1.46436511       0.44389154       0.64260045
Cl       3.31705904       5.70319354       7.49611709      -0.25588711       0.84333010      -0.55349369
Cl       4.67721875       3.67615962       6.22275912       0.49342520       1.02421842      -1.16015798
Cl       4.66519082       8.19333429       0.36852768       0.75209265      -1.26782868      -0.87448887
Cl       5.04798007       8.19388061       3.15662985      -0.87531746       0.04382172       0.39028060
Cl       5.11733549       7.90669687       6.53465252       0.69805362       0.89051186       1.41051840
Cl       6.37139323       1.25329648       1.92671754      -0.61144652       1.49228093       0.48053417
Cl       7.64641702       0.07926552       4.62025847      -2.33244371      -1.78246700       2.10384987
Cl       6.42876550       1.20827457       7.65185332      -0.49047786      -0.02225372       0.51029563
Cl       7.81856068       3.53709949       0.32031385      -0.06935948      -0.14446043       0.17393833
Cl       6.20265286       5.82370574       1.88775885       0.34142765      -0.53530661       0.87151597
Cl       7.83937447       3.67172639       3.39581828       0.23167467      -0.08194424      -0.10547588
Cl       7.73149025       3.76769014       6.37430394       0.22107340      -0.51637350      -1.25136427
Cl       6.47722652       6.05050799       4.96850435       1.74663391      -2.71741410      -0.80999394
Cl       0.35358367       5.63816387       7.80278913       0.58160357      -0.86661752       0.42514069
Cl       7.66345137       7.94677506       0.26596513       1.05644978      -1.08197118       0.02606575
Cl       3.39044467       1.29035649       7.65041140       0.74846756       0.30554535       0.71356970
Cl       3.39417037       1.43671577       4.82495726      -0.88476848      -0.37103467       0.42865051
Cl       4.85221043       3.45839399       3.34973956       1.06637098      -1.32457662      -1.66351440
Cl       0.39284507       5.79767059       4.78949142      -0.30121763       0.58384789       0.62107275
Cl       3.15430129       1.27925103       1.84295188       0.16887061       1.32205531      -1.67124247
Cl       0.54569388       1.56367631       4.77873524       1.28800210       1.69267071       1.17737589
Cl       0.46524285       1.28330811       7.95630427      -0.07497382       0.25639637       0.35788669
Cl       1.66455692       7.96954127       6.75695885      -1.30055906      -0.11015770      -0.29499644
Cl       0.50673340       5.63178719       1.70569192      -0.61749832      -0.48591476      -0.72229069
Cl       2.17001678       3.83924874       3.78098088       0.77300313      -0.58638063       0.17456982
Cl       1.80181688       7.85051576       3.13613848      -0.76243602      -0.09229687      -1.05228344
Cl       2.03261352       3.75934313       0.00277637      -0.31676652      -1.77123176       0.19004413
K        8.06201217       7.24090635       3.00754794      -0.34979175      -1.09381686      -1.08357472
K        0.75444348       2.85803615       1.92553534       0.39343446       0.45361609      -0.46351053
K        1.50019604       3.46204805       6.19886446       1.45278440       0.49620397      -0.42453306
K        3.32950791       7.80255627       4.87372279      -0.14465603       0.06756520       2.77652022
K        2.20841124       8.25590105       0.41220261      -2.30526565      -0.40284364      -0.16269717
K        7.79516756       7.27497505       6.91613419      -0.43062424       1.90333644      -2.83972218
K        5.83655763       1.75217366       5.12762595       0.61023050      -1.27388463       0.49628333
K        4.17365757       5.70225315       3.87545793      -0.30359884       0.56413917       0.70817705
K        5.71291082       5.88114965       8.36829910       0.17346685       0.65673241      -0.38661239
Li       0.31734672       3.42158475       7.84413012      -1.04776471       0.00302628       1.19756675
Li       6.23587074       8.07017111       1.61010432      -0.17281959      -0.28107761      -0.33962855
Li       1.89594465       1.42072032       3.35924189       0.31715101      -0.76653816      -0.09665751
Li       6.36953934       3.40440710       7.78833411      -0.09011175      -1.10291039      -0.67649543
Li       1.77099922       5.77903311       6.22978960      -0.29907943       1.22106042       0.20169831
Li       1.91468065       1.07532245       6.34869868      -0.21643187      -0.72640537      -0.19588046
Li       3.53655318       3.37924964       7.76906076       0.09538884      -0.39763430       0.45429750
Li       6.40493353       3.84281324       4.70105072      -0.38266462       1.47628918       0.77678469
Li       0.47228586       8.17750901       4.97186285       1.72542654      -0.63584740      -0.16616520
Li       7.73618321       5.68585468       0.34660156       1.32433431       0.27625168       1.12133326
Li       6.35357971       3.68681728       1.76590324       0.12232660      -0.21384764       1.23631594
Li       6.08679778       7.91466773       4.76320550      -1.02211793       0.24983160       0.72032952
Li       1.85093170       5.69410318       3.23763705      -0.50519093       1.15776061      -0.83569238
Li       8.00462200       1.31707230       6.38267782       0.76386412       0.58422894       0.11701280
Li       7.93897437       1.52861349       3.31248251       0.20203319       1.00267500      -0.91359780
Li       4.82183161       1.26398101       0.32279108      -0.07594379       0.30247402      -0.30931640
Li       7.73329041       1.22753001       0.48485474       0.74958178      -0.01355017      -1.46142312
Li       4.96369496       5.71628724       6.24398489      -0.33559221       0.62175168       0.02026721
Li       2.01234605       5.79181335       0.24092231      -1.67278125       0.26357927      -1.10419169
Li       3.39577350       3.51878443       1.67997023      -0.05484732       0.13949637       0.43112050
Li       4.69446805       1.36695733       3.16124220      -0.42270011      -0.33369889      -0.35762826
60
Lattice="10.9561 0.0 0.0 0.0 10.9561 0.0 0.0 0.0 10.9561" Properties=species:S:1:pos:R:3:forces:R:3 energy=-471.63446697 stress="-0.02385527416503917 0.0016642657278749876 -0.005375328673626343 0.0016642657278749876 -0.03250238664323918 -1.212296431482169e-05 -0.005375328673626343 -1.212296431482169e-05 -0.02372843909744311" free_energy=-471.63446697 pbc="T T T" config_type=melt 
Cl       1.42429300       1.50960815       2.07099871      -0.19415253      -1.23557017      -0.26995764
Cl       3.66036727       5.52103078       1.64511320      -0.11813626       0.75690692      -0.15525036
Cl       7.12681158       5.95461844       0.96983616      -0.13798840       0.16254998       0.15796761
Cl       6.74347955       3.76649901       4.12751347       1.14085531       1.04081219      -0.24610173
Cl       4.31343848       6.92627112       9.09440662      -0.29067583       0.14489870      -0.47005791
Cl       5.00872354       8.71693611       1.26111285      -0.29408171      -0.24572867       0.48803209
Cl       3.56614481      10.61906845       9.55949306       0.79120369      -0.04773524      -0.56823710
Cl       8.51834584       2.32107170       1.83467564       0.02447056      -0.02928340      -0.36379652
Cl      10.21197264       2.98616175       4.83752353       0.57332187      -0.36836641       0.56151388
Cl      10.04508933       0.52220936       7.47118371      -0.20904875       0.24837356       0.06200206
Cl      10.52204123       3.39652247       9.65590674       1.63338425      -0.37518342       1.06314546
Cl      10.72491533       4.64207766       1.80283721       0.72855331      -1.32790603       0.39694522
Cl       9.03175964       6.07001904       5.37035154      -0.07231480       0.57958663       0.57389206
Cl       9.81706002       6.67304278       9.85681971      -0.47540500      -0.20867305       0.25090482
Cl       7.91647248       4.04464152       9.11749112      -1.63309716       0.83951495      -0.86726129
Cl       9.33907824      10.27403895       0.47400142      -0.07577801       0.15554728      -0.02845171
Cl      10.37441874       7.43828254       2.54820261      -0.72739286       1.18948410       0.22753822
Cl       9.50229127      10.81831609       4.41107925      -0.66994000      -1.41147439      -0.14700403
Cl       4.03329101       3.08288220       9.04710914      -0.05962911       0.67772877      -0.03334840
Cl       7.14322381       1.07917914       9.50039586      -0.49878412      -0.75113492       1.67329813
Cl       4.59441862       6.70671088       5.12795878      -0.33546630       0.54537723      -0.17813086
Cl       7.27962726       8.74393194       7.41858348       0.67461871       0.20645269      -1.43423305
Cl       4.50509354       0.72059037       4.01693355       0.19592722      -1.63634825       0.25979790
Cl       5.25362525       2.66904839       1.26330407      -0.02214176      -0.15389346      -1.39586678
Cl       3.29837773       3.77675392       4.18842938      -0.57153314      -0.56801797       0.23017356
Cl       1.38760102       4.68131145       7.21430699      -0.72849262       0.19188864      -0.00555004
Cl       6.18891464       1.57500511       6.64503899       0.58012526      -0.51437167      -0.05411862
Cl       2.03591728       9.36185598       3.18257175       1.17723013      -1.28104805       0.77978648
Cl       1.10862585       8.74674765      10.73395412       0.97685382       0.19406582      -0.02155037
Cl       1.69360489       8.55908062       6.66657868       0.72466937      -0.24370060       0.22766357
K        1.60310751       0.18516795       5.06706478      -0.21897726       1.13105646       0.92267464
K        1.17650984       1.12035983      10.08021459       0.19140342      -0.07957594      -0.08038807
K        1.16075497       5.98438616       4.25530542       0.12262827       0.19647296       0.71480102
K        6.81008168       8.74815004      10.04101366      -0.24861487      -0.39203486       1.12478924
K        1.61118215       5.40703256      10.70439456       0.18237218       0.07249716      -0.86223284
K        6.01634511       5.11443895       7.10519519       0.26197197      -0.36969187      -0.11053328
K       10.42667934       8.83693827       8.31737810      -0.51243187       0.02323059      -0.23850981
K        6.55305158       0.03500945       1.58499707       0.12075179       0.39461846       0.33414283
K        4.71901139       9.55013656       6.17080420      -0.26493537       0.01701254      -0.02374882
Li       8.37314464       8.75618086       5.04729997       0.38676726      -0.66774522       0.03477613
Li       3.88328008       2.03310156       2.54082915      -1.61251908       0.23201141       0.41205451
Li      10.10131603       8.19770462       0.59572041      -0.00810043       0.45680251      -0.42868684
Li       1.17130569       3.37831343       2.85083200       0.49048332       0.74623637       0.82846472
Li       5.27020183       2.55953121       4.82088121      -0.94211693      -0.31185229       0.51766354
Li       9.79029427       5.25168602       8.06745850       0.12017822       0.02181827      -0.12687910
Li       5.30686094       5.37190730      10.44770628      -0.32928486      -0.40112180       0.39543095
Li       9.10937265       4.20911450       3.40568177      -0.69987274       0.42783623       0.23934751
Li       2.48540224       8.86221399       8.91418973       0.37473028      -0.42153041       0.12963606
Li       6.94867635       3.77707165       1.18135244       0.67024173       0.40933251       0.26706958
Li       9.38137975       6.01007822       1.06440703      -0.79752465       0.25169098      -0.28132336
Li       8.52556591       2.29564259      10.49642587       0.91013833       0.50660654       0.18075664
Li       5.14318776       5.24851970       3.32811258      -0.10255452      -0.10140145       0.11667215
Li       9.91428445       2.66619980       7.81939048      -0.14485678       0.14202954      -0.70088772
Li       7.83049997      10.88067930       8.02145383       0.42348011      -0.38809037      -1.18756028
Li       8.34983006       1.36942485       5.67533649       0.03850382       0.43170484      -0.23512806
Li      10.05580439       1.48780551       3.12854722       0.33747888       0.19348290      -0.39882411
Li       0.68495784      10.00882464       1.89508757      -1.18664352       0.25565068      -1.32095581
Li       3.46818632       7.82271018       2.71885482       0.77372441      -0.38066197      -0.56009818
Li       2.89660659       6.18030314       7.34181408       0.32397556       0.38967681      -0.24354837
Li       5.12183432       1.12237575       8.81855393      -0.76755182       0.67918662      -0.13271951
60
Lattice="10.7117 0.0 0.0 0.0 10.7117 0.0 0.0 0.0 10.7117" Properties=species:S:1:pos:R:3:forces:R:3 energy=-470.14735943 stress="-0.03370422890894302 0.002675602149193463 0.0007430113475289579 0.002675602149193463 -0.033599305308250324 -0.0013073187392749154 0.0007430113475289579 -0.0013073187392749154 -0.0357681275122998" free_energy=-470.14735943 pbc="T T T" config_type=melt 
Cl       0.76641678       0.33181847       0.30872833       1.39228260      -0.99081181      -0.11779801
Cl       3.84791043       2.86693295       8.75099830      -0.69250327      -0.67796065       0.71298759
Cl       3.85691897       4.20476001       1.09288262      -0.85349246       0.21478944      -0.15457633
Cl       4.09921763       6.78588337       7.22914423       0.91391985      -1.76314885      -0.40548786
Cl       6.11848019       4.29286374       7.38068265       0.62056879       0.00772351       0.65416501
Cl       4.92752125       8.91444813       4.84361651       0.32937093       0.02366862      -0.19835795
Cl       4.41975454      10.23216933       7.87345299      -0.75495455      -0.83194100       0.95734738
Cl       3.70258480       7.88333989      10.28647765      -0.06268733      -0.92183731       0.73403285
Cl       5.98420903       3.09328188       4.46370464       0.52504661       0.18770190      -1.09840213
Cl       9.04234583       1.83482852       2.07389224      -0.16793124       0.35284448       0.84803649
Cl       7.63818121       1.60069218       9.76146509       0.85695845      -0.37802004      -0.36332031
Cl       7.34614813       5.33415881       1.35148448      -0.06955501      -0.54317138      -0.73807196
Cl       9.47930820       4.80587919       4.19911494      -0.30154463      -0.16335745      -0.53484327
Cl       9.17849153       5.03735902       7.72237517      -0.38027884      -0.55388936       1.10476186
Cl       8.47447576       8.40303943       1.03693434       0.53610945       0.67640254       0.10899733
Cl       7.97211845      10.26819277       4.31887175       0.35270841      -0.27277358       0.32713678
Cl       8.13211912       8.40143268       6.90086276      -0.50986738       0.05117162       0.68060455
Cl       9.14321790       1.96354030       6.06675339      -0.86618186      -0.02528213      -0.46009782
Cl       5.93000783       0.86094110       1.92032931      -1.29600270      -0.30948092      -0.26515558
Cl       6.86993808       6.41477653       4.59142024       0.08605452      -0.45834347       0.62413042
Cl       0.53205014       7.70922120       9.32070006      -0.47553778      -0.28203107      -0.06050626
Cl       1.08716257       2.36361159       7.59616992       0.20675934       0.10611249       0.34948654
Cl       0.80176646       9.48417132       6.38314488       0.88823684       1.09842260       0.67074075
Cl       3.43185729       5.84333947       4.07375592       0.38137908      -0.33966622       0.52206440
Cl       0.73732487       6.73288188       6.00391856       0.78086766      -1.93270314      -0.46718757
Cl       0.00252721       3.61978336      10.47152226       0.38338262       0.46307067      -0.14844359
Cl       3.40768099       0.97764615       5.08792896       0.65377498       0.58117502      -0.49653363
Cl       0.74225118       5.93258935       1.92265374      -0.26194489       0.03076715      -0.51642243
Cl       1.43049398       2.93990105       4.09212648      -0.37501471       0.87550171      -0.80245738
Cl       2.17384311       8.91016345       2.78665947      -0.16796541       0.26382517      -0.15342740
K        2.03301639       5.05326590       8.95794834      -0.12130201       0.36227502       0.16277758
K        0.14278375       0.27290948       4.16283441       0.25350019       0.55979130      -0.68657550
K        9.78936907       7.83396966       3.60692932      -0.19222025      -0.25185973       0.53211096
K        6.59759311       7.92657231       9.76919894      -0.41421822      -0.21126938      -0.69157402
K        3.73935806      10.69573764      10.61170628      -0.24350517       0.56722060       0.13771829
K        2.88573198       4.09080894       6.36253557       0.54953103      -0.47238905      -0.65142442
K        6.16653288       0.75205025       6.31540409       0.41620361       0.26594890      -0.28118764
K        5.19340707       7.11350072       2.47539889       0.18546975       0.44844605      -0.75866210
K        9.53385218      10.25586361       8.45891166       0.37951271       0.37033513       0.10945089
Li       2.15965011       0.77656290       6.67560642      -0.08459156      -1.01548404       0.75368017
Li       7.37638726      10.02714739       2.35331764       0.31138631      -0.06240809      -0.73050268
Li       8.03101138       3.79262735       2.80271631       0.22040960       0.55841241      -0.25373661
Li       9.36550710       5.36333748       0.05039030      -0.12801913       0.21508786       0.32629249
Li       7.74948648       4.40435111       5.72166527      -0.11178130       0.08548945       0.09633802
Li       9.73562847       7.04941262       7.41351401       0.63626842       0.62569929       0.18864521
Li       2.90028918       8.27422053       7.60846695      -1.40503482       2.28124291       1.27263363
Li       1.54082449       3.42039577       1.76735552      -0.12955792       0.09596112       0.18780263
Li       7.87760913       1.89590663       4.10421999       0.25069327      -0.92204146       0.13771670
Li      10.05451578       1.66277719       0.13069559      -1.88056796       0.77799175       0.04725024
Li       2.59187791       6.03304367       0.77069182       0.45048748       0.82026766       0.27238629
Li       6.25735738       7.26841332       6.61747403      -0.15491118       0.20014434      -0.68133290
Li       3.91808278      10.38352565       3.48258790       0.06582822      -0.18429288      -0.13165915
Li       5.22742743       5.00611300       5.59301775       0.09148536       0.61778490      -1.04493162
Li      10.41574108       4.56652625       6.07097380       0.69906503      -0.39364406      -0.31313009
Li       0.34422048       8.93521811       0.49399361       0.04763859      -0.60704346       0.39758657
Li       5.78198285       2.43901124       9.22665134       0.54747182       0.49760738      -0.40866198
Li       5.56335705       3.04354746       1.58650989       0.50382164       0.04625373       0.45586556
Li       2.98545791       7.87240324       5.22109681      -0.24927052      -0.09490345      -0.69127305
Li       9.83826798       2.77701894       7.87111784      -1.24351497       0.55209992       1.07740838
Li       1.40531077       5.28485285       3.99424297      -0.92223613      -0.22148266      -0.14441432
60
Lattice="11.4751 0.0 0.0 0.0 11.4751 0.0 0.0 0.0 11.4751" Properties=species:S:1:pos:R:3:forces:R:3 energy=-467.51748243 stress="-0.0040739167363089265 -0.00039172781068707506 0.004600488694136362 -0.00039172781068707506 -0.014349060691274321 0.00046672992870574787 0.004600488694136362 0.00046672992870574787 -0.021826885797733397" free_energy=-467.51748243 pbc="T T T" config_type=melt 
Cl       1.78735010       0.34288746       0.43161867       0.41078931      -1.59718545      -1.87937502
Cl       5.94472146       2.65170053       6.70370752       0.08936624       0.48885956       0.62334830
Cl       3.85408446       4.90748717       1.85714166      -0.43889484      -1.04305672      -0.24156718
Cl       4.48651165       5.38027276       8.41128273      -0.60756690       0.70377343      -0.45325919
Cl       3.86924307       7.56627931      11.25264371       0.23817051       0.06288596      -0.56670624
Cl       4.90917401       7.68898256       2.91843923       0.83382723       0.61356799       0.19277786
Cl       4.60689692      10.08493754       5.77470637      -0.26924618      -0.00195653      -0.48888930
Cl       5.40679172      11.07180761       9.69983318       0.34607098      -0.13176942      -0.04525457
Cl       7.68744489       2.18654588       0.97565775       1.43751906       1.55528013      -2.90869020
Cl      11.25609772       3.64838182       0.90677043       0.44732688      -0.11962725      -1.19122706
Cl      10.69734067       2.58684327       4.04276953       0.10771721       0.68642556      -1.04832364
Cl       9.85367985       2.94171074       6.81793066      -0.95381789       0.34457659       0.71349940
Cl       7.77697362       5.47363418       0.42702978      -0.91447666       1.64048260      -1.27266725
Cl      10.44564583       5.91743367       2.62583566       0.14276572       1.01073576       0.76670387
Cl       7.99370384       7.12904358       6.77526624      -0.00033706      -1.09363804       1.58173896
Cl       9.14059418       9.88019880       1.06965145       0.55889104       0.21547272       0.39403173
Cl       9.31140104       9.82844610       4.46451388       0.94100047      -0.29312199      -0.48908599
Cl       7.84138336      10.35413191       6.96817415      -0.16233996       0.86481652       0.93380599
Cl       6.94234370       0.87230268       4.20803392       0.82986273       0.54092538      -0.27513693
Cl       4.93918139       0.83486746       1.70802273       0.27019103      -1.49168363       1.07235504
Cl       6.99444065       4.37351634       3.99231352       0.23105110       0.01711855      -0.29145555
Cl      10.78246296      11.36794552       9.47789327       0.54452999       0.38472198      -0.12730444
Cl       2.00907198       1.47134880       3.02889855       1.26260383       0.84483438       1.32869917
Cl       2.15812206       9.05743413       8.40710579       0.14432155       1.20594091      -0.14842697
Cl       0.36263841       7.28500166       6.23564967      -0.34893998       0.45371570      -0.08682627
Cl       0.79423298       4.56988972       8.09808135       0.31389238       0.16416882      -0.09570232
Cl       1.40856852       8.94860428       3.34240975      -0.22799790       0.44766117      -0.65171787
Cl       0.55259836       0.56065273       5.97869923       0.24968230      -2.37614142       0.57807135
Cl       0.05148154       7.85171095       0.05725845      -0.02552105      -0.26215630      -0.51936767
Cl       2.62301278       4.55027878       5.01047619      -0.28268127      -0.66719843      -2.12083665
K        3.08707730       7.55450586       5.36040936       0.35007248       0.31945828      -0.39809547
K       11.02243026       0.81494783       1.84598786      -1.38652843       0.19817077       0.23214985
K        1.61571703       5.55494673      10.58958948       0.14373623      -0.38135383       0.89790846
K        5.59494893       8.23134168       7.77727198      -0.34220183       0.86080964       0.62129631
K        6.58191081       9.12193567       0.48669801      -1.24189924       0.21182047      -0.10865047
K        9.08765954       9.29712602       9.56979735      -0.20262106      -0.49246877      -0.40581349
K        3.87499209       2.50374059       0.08322305      -0.52711151       0.49273339      -1.41520197
K        8.41605637       6.93230299       4.23704297      -0.80442841       0.05733106      -1.26718082
K        9.71485409       2.48735415       9.93628909      -0.13436699       0.31334987      -0.06206110
Li       8.10813353       3.97440088       1.76282781       0.57097499       0.45050418       1.83679553
Li      10.59378937       5.49373855       6.10085167      -0.01678149      -0.67840034       0.43863731
Li       3.06918762       7.03819521       1.77242100      -0.28835900       0.36515260       0.36296925
Li       0.59973463       2.59114643       5.90420288      -0.02473473       1.07560594       0.00383286
Li       9.83511313       6.28578438       0.41736545       0.56006903      -0.06249402       0.57304127
Li       1.16199158       3.60638295       2.87676167      -0.30765815       0.00704121       0.10240787
Li      10.50078368       8.42920683       3.15618035       0.44827309      -0.17627285      -0.46302299
Li       1.56918550      10.95411898       9.54180958      -0.01724996       0.07593714       0.25776808
Li       8.64574197       2.66968201       4.60405110      -1.17558268       0.22370842       0.37023050
Li       7.15201673       0.73435132       1.96042903      -1.00173176      -2.68878945       2.11655294
Li       2.34569404       7.08648243       8.45219146       0.04506407      -1.13362024       0.09350134
Li       0.53039519       9.78901766       1.09546927       0.35655785      -0.04303977      -0.31999944
Li       6.63229797      10.32507695       4.78127254       0.15436880      -0.29428184       0.65415150
Li       6.62263594       5.14035137       6.89512366      -0.12261542      -0.85212603      -0.17248111
Li       3.35705198      10.91657246       2.83125142      -0.18441996       0.37048745       0.10345895
Li       5.46564751       6.30415601       1.02099243       0.01860114      -0.29607518       0.14283508
Li       6.27891079       0.63498958       7.69571844      -0.20998871      -0.32096421      -0.04024599
Li       0.12354896       9.70316096       5.66536015       0.05336844       0.05918220      -0.02410962
Li       4.35116284       2.89244813       3.32509383       0.07546983      -0.17949637       0.35780192
Li       9.70721167       0.53278086       6.09745504      -0.17810282      -0.13498470       0.17802434
Li       2.69966645       4.96459874       6.90208905       0.22206635      -0.51535355       2.05028774
60
Lattice="10.5723 0.0 0.0 0.0 10.5723 0.0 0.0 0.0 10.5723" Properties=species:S:1:pos:R:3:forces:R:3 energy=-470.60155524 stress="-0.03810786196562631 -0.0037003674957132417 0.0007958840014550287 -0.0037003674957132417 -0.0511036538899919 -0.0018340048418212444 0.0007958840014550287 -0.0018340048418212444 -0.0405703687197381" free_energy=-470.60155524 pbc="T T T" config_type=melt 
Cl       3.18276977       2.76775413       0.11126183       0.63349354       0.57491074       0.97457136
Cl       4.84409042       0.52210458       7.53833535       1.30253986      -0.14900629       1.36294483
Cl       6.38023504       3.60245836       0.14446837       0.70213654       0.50798666       1.42168088
Cl       6.60105867       3.59654845       3.62978776       0.78645762      -0.00328608      -0.51212566
Cl       4.92288577       3.88117591       7.58966387       0.33812411      -0.34602858      -0.27808964
Cl       3.52290181       9.52956462       2.16289171       0.81745502       0.18294251       0.49580407
Cl       6.27184782       9.31390028       4.43334599      -0.24449931       0.32083190       0.82006751
Cl       4.29275555       7.42456683       7.79219742      -0.87098565       0.36956063      -0.81063848
Cl       8.37090398       1.18076733       2.63216439      -0.36178965       0.81960261      -0.91536431
Cl       9.84942956       0.60905963       5.43110681       0.94944537      -1.56214123      -0.47625844
Cl       7.82921104       1.60000131       8.92414186       1.86246264      -1.25642014      -0.75047053
Cl      10.12978581       3.06313362       0.09123895      -0.94750561      -1.00627865       0.09026696
Cl       8.37547121       5.80490104       1.66626849       0.27690752       0.21914090       0.21177797
Cl       9.53385698       3.20485531       6.31088075      -0.57446636       2.21173907       0.45202157
Cl       7.47037661       6.10992247       5.88973318      -0.05611941      -0.00790715      -0.98052667
Cl       8.57687353       5.35404531       8.72169289       0.10590712      -0.14928046       1.24220729
Cl       7.20149130       8.99093766       1.43410078       0.74135804      -0.33599885      -1.83303580
Cl       7.56091778       8.59689746       8.13580774       0.15694431       0.31937662       0.53140846
Cl       4.15224968       1.96230346       4.62391170       0.10708714       0.41043955      -0.89010995
Cl       5.53283348       0.61568212       0.43017737      -1.40962627      -0.39680339       0.11275482
Cl       4.06205739       6.26141296       4.57042643      -0.44926992      -0.09745357       0.42455914
Cl       3.46067325       6.95730289       0.29244039      -1.10934891      -0.35260338       0.40703159
Cl       0.19281444       7.69826253       9.73198188      -0.28459540      -0.61603354      -0.41711824
Cl       0.53183004       7.88438788       6.44989592      -1.43099975      -0.79594244       1.00393846
Cl       1.59029594       5.12516559       8.05634634      -0.99598187       0.45949413       0.48438589
Cl       2.55003876       9.97005950       5.64927679      -0.30508358      -0.18139787      -0.22925181
Cl       1.06241043      10.46602513       0.43756847      -0.48484927       0.13505585      -0.32449300
Cl       1.48496411       1.70772247       7.87382615       0.11980803       0.81815088       0.47839063
Cl       0.90032332       7.59229637       2.83654809      -0.49174420      -0.67316000       0.74742130
Cl       0.24702285       3.73076380       3.03408094      -0.13148527       0.20550344       0.82784474
K        2.10334851       4.47675586       5.45048583      -0.36346923      -0.47972185      -0.62165321
K        1.02286685       5.20668859       0.52394099       0.50347672       0.67772359       0.75896235
K        3.58874609       9.50089255       9.55247480      -0.46975687       0.77865887       0.41707975
K        9.10309919       9.26940146       3.47348688       0.52078625      -1.11669261       0.47952911
K        5.59883634       6.96006226       2.43954765      -0.06409716      -0.14198348       0.00615532
K       10.35139179      10.07784410       8.38466911      -0.58054553       0.23555102      -0.81659854
K        7.29048892       1.28959858       6.03394992      -0.75909630      -0.19132251      -0.35624898
K        1.63905539       0.90902538       3.04243306      -0.20920171       0.07820563       0.55658389
K        5.63079641       5.97068528       9.59046107       1.08767703       0.03579848      -0.18970356
Li       7.55136043       3.59252040       7.95149026      -0.28364832       0.71597489      -0.51338692
Li       3.21974110       1.45517137       6.56694186      -0.64553788      -0.04400294      -0.17897832
Li       9.47772864       6.42293656       7.08184458      -0.04041358       0.27758039      -0.37818827
Li       2.78916304       3.62536854       8.73029874       0.98918834      -0.78085515      -0.27517171
Li       9.01308662       5.11167533       3.88172567      -0.32413552       0.49191572       0.16001740
Li       1.33607441       1.97363696      10.18010996      -0.38059089      -1.04613418      -0.03528520
Li       7.52592347       1.19177309       0.56996327       1.39926779       0.32125036       0.47768558
Li       9.29484899       2.48417333       4.17538187       0.35071658      -0.42778217       0.32567992
Li       5.16992871       2.35026458       1.56778751      -0.52277252       1.61449343       0.38450151
Li       8.38617038       3.47325429       1.70808193      -0.03126443       0.23294939      -0.15033092
Li       5.92257074       8.09231330       6.54417969       0.58024497      -0.32233379      -0.52653676
Li       4.62891240      10.40914827       5.51716533      -0.05553746      -0.46161853      -0.68266717
Li       1.30558390       8.10757970       0.85874458       1.06770025       1.01007708       0.60401349
Li       5.32185266       0.25606111       2.85691034      -0.03840989      -1.06447858       0.26336182
Li       1.82788724       7.84551353       4.91357158       1.37208149       0.30983964      -1.13981853
Li       5.48264677       4.54297017       5.23265416      -0.08426837       0.56228592       0.49633002
Li       6.70248931       9.92235729       9.75945929       0.60635087      -0.97639150      -0.56472433
Li       2.19337165       7.13419861       8.81366133       0.27879714      -0.30407592      -0.58446284
Li       5.92995021       2.06196853       9.41238125      -2.21063959       0.15855784      -0.98362006
Li      10.06999945       3.26028587       8.53429887       0.23540825       0.37522388      -0.73811992
Li       8.75235256       7.28500190      10.44440689      -0.68008687      -0.14368681       0.13400015
60
Lattice="10.2765 0.0 0.0 0.0 10.2765 0.0 0.0 0.0 10.2765" Properties=species:S:1:pos:R:3:forces:R:3 energy=-466.1701554 stress="-0.06839176918914633 0.001511416530838446 0.009358057392270244 0.001511416530838446 -0.07452063987201579 -0.015239670890846145 0.009358057392270244 -0.015239670890846145 -0.06166394416033162" free_energy=-466.1701554 pbc="T T T" config_type=melt 
Cl       2.82820584       3.04412538       1.04026954       0.28275866      -1.17719727      -1.02772106
Cl       3.84405842       0.44826504       8.45745674      -0.62806229       0.08449318       0.13691670
Cl       6.08551722       4.06128308       3.17016666       0.98322736      -0.65405377      -0.17733195
Cl       7.42337365       6.53187699       8.73461394       1.05518863       0.87393988       0.54192319
Cl       4.14218996       6.41871218       7.64225282       0.34569060      -0.59489145      -0.54365335
Cl       5.62026923       4.32676618      10.02912409      -0.78867055       0.68326166      -0.09806157
Cl       3.68399166      10.18390874       1.65327304      -0.12896287      -0.62883631      -0.09530778
Cl       3.37092836       6.67587131       0.32200282       0.39530170      -0.13686545       0.98955752
Cl       3.56114637       8.24212295       4.49823986      -0.47365169       1.20872496       1.36629274
Cl       6.42432315       9.54230573       6.96731285       0.37337784       0.72960839       0.77293341
Cl       8.65450862       1.98889326       2.67118092       0.66392204       0.78179613       0.52988445
Cl       8.45535005       1.49566236       8.31158182      -1.95253340       0.99109622      -1.00120282
Cl       8.63015332       5.94998046       2.03963861      -0.81004426      -0.76017718       0.68526755
Cl       9.04300143       3.95783983       6.04005398      -0.38526791      -0.60819542       0.08418729
Cl       8.99522598       3.90250087      10.06405392       0.13187952       0.58881371      -0.24348020
Cl       8.55694353       8.98690202       1.01339444      -0.09984597       0.07445548       0.38132481
Cl       6.68479131       9.55672366       3.88052972       0.85043353      -0.08254555      -1.00717729
Cl      10.09506839       9.85608838       5.88358399      -0.79527434      -0.74251294      -2.10146202
Cl       5.83405126       3.18017597       7.04625693      -0.32748251       0.83408982       1.52358921
Cl       4.19931702       1.34100104       4.98442107      -0.72225233       0.69424761       1.14800365
Cl       6.91915717       6.22521596       5.40854250      -0.09454361       0.18806275      -0.02309280
Cl       0.99768167       1.41015161       7.36227985       1.30928481       1.43452435       0.68807022
Cl       0.73276069       7.34973225       9.08365526      -0.56520670      -0.10075209       0.70620049
Cl       0.66653173       0.69191880       0.07908692      -0.48986489      -0.94653019       1.13868441
Cl       1.17386404       2.60546270       3.85870243      -0.04225946       0.03805603       0.82617406
Cl       1.38721446       7.32147187       2.60819625      -1.09301917       1.09913529      -0.53588326
Cl       6.55031304       1.35604583       0.30248261      -0.61084081      -0.34273882       0.55221914
Cl       1.40703783       4.32004535       8.59216110      -1.51373901       1.17032136       0.19492604
Cl       0.64573313       6.35483345       5.81032282      -0.84394851      -0.11721571       1.30810956
Cl       3.20265067       4.85103210       3.42377012      -0.56462547       0.73801359       0.70286922
K        9.03423557       7.78501396       4.21397131      -0.11233001       0.00794193      -0.19547725
K        0.89284801      10.20328867       3.07957931      -0.02514825      -0.64770380      -0.43590817
K        3.10568162       3.25643787       7.00555171       0.73393238       0.10293898      -1.28434010
K        7.03637093       1.66414558       5.46188781       1.24530816      -1.16305499      -1.50351935
K        5.38931517       8.51358698       9.72361402       0.19300894       0.14443983       0.34179049
K        0.87047402       4.86153468       1.40486949       0.10305287       0.71802912       0.54575398
K        9.30597706       9.50224794       8.65756074      -0.06468510      -2.35161922      -0.99042505
K        2.30287116       8.56152685       7.12492353       0.11547051       0.10291003      -0.43235003
K        5.20807882       6.96355165       2.95442181       1.11929176      -0.17991254      -0.69855183
Li       4.72567935      10.23120119       3.65872174      -0.46919684      -1.44686450      -0.99049144
Li       2.74237651       0.97099052      10.26833296       1.30624266       0.33058872       0.21430886
Li       5.84490325       1.16130616       8.23112710       0.37742418      -0.35170159      -0.08314593
Li       4.34237618       4.52147502       1.60983428       0.39906127       0.32835591      -0.27229612
Li       9.30450752       7.11733948       0.28944893      -0.08647931      -0.43585487      -0.16729300
Li       9.14771896       5.58854568       7.60209226       0.90662361       0.86868530      -0.26075421
Li       2.02399778       1.05584872       5.39691978      -0.15803935      -0.19216691       0.03491423
Li       8.75023422       4.00298449       3.71653733      -0.26387621       0.89429056      -0.17596892
Li       5.98674978       7.53624045       6.98484456      -0.22998971      -0.66984297      -0.55852683
Li       6.56586138       5.20777052       7.35178755      -1.01188745      -0.27925756      -0.53388512
Li       8.93306343       1.88182240       0.37200930      -0.14193850      -1.19236074       0.09546048
Li       9.78327938       2.99209546       8.03515424       0.80124687       0.82899233      -0.72086676
Li       1.03043493       2.66128465       9.85100152       0.45905664       0.53655778       0.02294996
Li       9.88706176       2.05458065       5.41012508       0.61272670      -0.69117016       0.20567774
Li       1.73813638       8.68830803       0.49964035       0.36159029      -0.87247659       0.41018592
Li       7.04283485       3.52910425       1.14135947       0.11293224       0.20044546       1.15785989
Li       3.21113906       4.69994700       9.59664787       1.06436869       0.60233488       0.08523759
Li       7.65825333       0.34701480       2.00301317      -1.33347484      -1.05233496       0.36657989
Li       2.20388791       6.32810428       4.55887121       0.72077919       0.79228693      -0.61906377
Li       7.11524307       3.00927777       9.19709755      -0.23599871       0.20020809      -0.91125703
Li       4.26201395       3.14220430       3.85040930       0.03995838      -0.45281267      -0.06935768
60
Lattice="10.3378 0.0 0.0 0.0 10.3378 0.0 0.0 0.0 10.3378" Properties=species:S:1:pos:R:3:forces:R:3 energy=-470.56706678 stress="-0.05758793474587694 0.0014540046832269944 0.004377042380320321 0.0014540046832269944 -0.05782711545481067 -0.0028599004944361755 0.004377042380320321 -0.0028599004944361755 -0.059048525918922214" free_energy=-470.56706678 pbc="T T T" config_type=melt 
Cl       2.89297130       3.06612945       0.55433765      -0.35516590       0.15115161       1.03472598
Cl       5.76065635       4.72419886      10.24891952       0.12448291       0.68330673       0.65358833
Cl       6.16171130       3.06091920       3.27868496       0.39045288      -0.18772697      -0.18422190
Cl       3.42937907       4.94325684       3.30977072       0.24379633       0.18745744       0.25963105
Cl       6.03432893       5.50824862       5.41101128      -0.00571166       0.73119169      -0.66095215
Cl       4.20127158       6.31378034       8.03563397       0.27419506      -0.02661769      -0.53622362
Cl       3.98189313      10.10353511       1.86327473      -0.17124777      -0.90799835       0.84900959
Cl       3.35885460       6.84845135       0.67623995       0.05953980      -1.02587470      -0.26244686
Cl       6.55779377       9.37056442       3.70799312       1.16425256      -0.63792556       0.52993756
Cl       3.80377283       8.39056165       4.92625116       0.26840582      -0.17972139      -0.55775252
Cl       6.59974456       9.25022209       7.53159385      -0.24642702      -0.58486897      -0.64485183
Cl       9.03373822       1.60643209       2.60459837      -0.20011026       0.50923697       0.13490800
Cl       8.16235472       1.80225070       8.08305346       0.37601723       0.05796631       0.50492646
Cl       9.37794561       3.68130092       0.08518347      -0.43807881       0.23228040       0.27934312
Cl       8.54672446       5.80003303       2.48065849      -1.01583279      -0.15501558      -0.45676025
Cl       8.90368869       3.86082715       5.67138944      -0.71215647       0.32381485      -0.19291622
Cl       8.24313429       5.61538958       8.06746405      -0.46219558       0.52764013       0.44347816
Cl       8.00206713       8.97966119       0.64050941       0.75982407       0.40227763      -0.72787594
Cl       3.63257887       0.46643637       8.73298060       0.60033765       0.03900930      -1.41176978
Cl       3.82003419       1.53297169       5.02409844      -1.30343709       0.61704833       0.45636032
Cl       5.39267202       2.95159697       7.28255625      -0.09222822      -0.13860902       0.43245482
Cl       6.27896263       1.61682158       0.36731134       0.12279504      -0.12503378      -0.01188110
Cl       0.82657327       0.50692539       0.19893959      -0.08511286      -0.16130994      -0.44426776
Cl       0.50497258       7.41600691       9.41227744      -0.19917253       0.59296695       0.18598918
Cl       0.88540983       3.72929932       3.67551175      -0.48226927      -1.19991489       1.46186754
Cl      10.32522562      10.20727494       4.99009741       0.13812651       0.06981798       1.23664093
Cl       0.90310194       2.07465173       7.31152277      -0.01536889      -2.00393328      -0.79730218
Cl       0.54828383       7.87512928       2.84614107       0.50847566       0.86622289      -0.27964376
Cl       1.10248502       6.56442030       5.77866480       0.25088466      -0.13998089       0.78363767
Cl       1.23498460       4.46937209       8.49204784       1.18013082       2.63359117       0.77035098
K        7.35904563       1.40275676       5.44055671      -0.22142842      -0.42119512      -0.45429144
K        1.51586263       1.12240596       2.96900582       0.53578274      -0.50327182      -0.69791111
K        5.65211979       8.16621072      10.15021028      -0.79565232      -0.04701661      -0.72163291
K        1.06633373       5.34160329       1.74267396      -0.10787794       0.30332959      -2.12249572
K        2.82123731       3.98394001       6.28113356      -0.18635593       0.90463911      -0.21814429
K        9.39851783       9.74554744       8.10404953       0.80392769      -0.93138181       0.12932273
K        8.77743314       6.92238730       5.12409597      -0.68132455       0.49167377      -0.22292524
K        5.37060082       6.70727836       2.69485770       1.19309149       0.52711105       0.21194502
K        2.77683646       8.67409649       7.36440061      -1.21627523      -0.98167820       0.86116855
Li       3.49980016       4.63146879       9.53799543       0.18542867       1.01101395      -0.38837842
Li       9.44876988       7.55032595       1.08738149       0.53488224      -0.54487665      -0.16941235
Li       6.02384640       0.86702198       8.43778472      -0.46748192       0.51423953       0.30650047
Li      10.31019807       6.08935704       7.62536804       0.59812517       0.44333492       0.48130779
Li       7.27533013       3.55993515       9.10069615       0.22516943      -0.26538907       0.31773714
Li       9.69975098       3.64739293       7.76262301      -0.77013343      -0.25497757       0.27640336
Li       4.73625273       3.28605581       1.47580365       0.65552003      -0.07010687       0.45781516
Li       8.85869859       3.78728404       3.41568148       0.19103539      -0.07082916      -0.01142703
Li       7.08305739       3.73001263       1.43753312       1.12764212       0.00557304      -0.46345670
Li       1.49199265       2.64386134       9.44441766      -0.98815298      -1.36885859      -0.07343020
Li       2.27836842       8.37062004       1.41651637      -0.78173463       1.48078605       0.06756304
Li       3.40969590       0.97957581       0.30651577      -0.29706408       0.19931301       0.42093340
Li      10.30850267       2.38691532       5.13950963       0.21528253      -0.71357743       0.10399608
Li       9.08950031       1.54159341       0.06759246      -0.23654686      -0.36820595       0.41103026
Li       4.58183701       3.61565589       4.57263637       0.68519214       0.27902178       0.24419029
Li       7.85294437      10.25113977       2.26757575      -0.35312940       0.21722382       0.18586695
Li       2.29128033       6.99760513       4.02398865       0.10847414      -0.16079585       0.00290586
Li       4.78213189      10.30194851       4.24993161      -0.11443109      -1.06533054      -1.00067706
Li       6.24086783       4.94538643       7.49057346      -0.56775021       0.46865797      -0.08125785
Li       1.99613614       0.67962972       6.16996086       0.16951563      -0.29053218      -0.41457740
Li       5.49684603       7.44529390       6.49175590      -0.12093226       0.06165647      -0.28665222
60
Lattice="11.6283 0.0 0.0 0.0 11.6283 0.0 0.0 0.0 11.6283" Properties=species:S:1:pos:R:3:forces:R:3 energy=-467.69241217 stress="-0.009471762527918171 0.003888666423611317 -0.0033794831853784096 0.003888666423611317 -0.006147492100516363 0.0023345442203072247 -0.0033794831853784096 0.0023345442203072247 -0.01280370734017891" free_energy=-467.69241217 pbc="T T T" config_type=melt 
Cl       1.49007362       2.02088226       1.85008579       0.04343828       0.22505094       0.33077718
Cl       6.59667645       4.24027122       5.60360800      -0.00695626       0.14686821       0.72123234
Cl       4.28671465       6.44027581       7.57748867       0.83149489       0.66226882       1.21604767
Cl       7.49869531       7.62669963      10.28958033      -0.36580882      -0.54505579      -0.05687472
Cl       4.45044112       4.28671465      10.37390877       0.47108877       0.17703860       0.45941253
Cl       5.74667098      11.05388524       0.08624338      -0.41283585       0.10400129       0.41689691
Cl       5.86387261       9.07858592       4.00156548      -0.55636229       1.05810256      -0.77427394
Cl       4.05257883      10.06175868       8.84281050      -0.03612203      -0.69141137       0.18708172
Cl       6.32249276       5.81135921       2.78160564      -0.07527383       0.10903129      -0.30596669
Cl       8.22725482       2.94349484       0.69704100      -0.41432817       0.45536277       0.00148235
Cl      11.29080022       2.73874373       9.49441392       0.76879398       0.24276791       0.44908493
Cl       9.96018548       6.91515233       1.48401527       0.24282463       0.71601712       0.13793252
Cl       9.71415391       4.59166682       3.69583422       0.13587549      -0.02855529       1.18715474
Cl       8.00125881       7.71778411       6.38485534       1.22266980      -0.73088700       1.18629196
Cl       8.71921330       4.38275278       8.93580202      -1.44364804       0.22599618      -1.57714152
Cl       8.94803499      11.37415188       0.64475668       0.56063650      -0.16853259      -1.34412901
Cl       9.43869111       9.22925380       3.71318364      -1.04943796       0.08379900       1.18573400
Cl      10.12951678       0.99158700       4.29640103      -0.30923443       0.38585018      -0.42635110
Cl       6.34633078       0.67130292       7.00315530       0.86734116      -0.35399266       0.13097818
Cl       8.53456753      10.82184251       9.15689089      -0.44427437       0.45170651       0.04912752
Cl       2.28891457       4.12275562       6.75339105      -0.88582248       1.43877381      -0.70983770
Cl       1.01205746       7.26440832       9.86493807       0.71997024      -0.14370973       0.33838242
Cl       5.50688380       1.60872879       3.89638751      -1.30564288      -0.25049319      -0.81750723
Cl       3.13517573       4.73392744       3.39818462      -0.02334780       0.25013619       0.44439064
Cl       1.35711564       9.58078894       2.57531960      -0.39731700       0.69959070       0.27592942
Cl       0.23452188      11.34917429       8.11379749       0.30273586      -0.92670611       0.66749431
Cl       2.19652773       1.28765980       5.83132500      -0.55921388      -1.02381751      -0.33247910
Cl       3.62662258       8.37541099       1.12520431       0.67999303      -0.01964776      -3.00220779
Cl       0.13950820       7.49532310       6.79582271       0.63658419      -1.26369958      -1.30073092
Cl       2.87609721       7.89936001       4.98613364       0.01211421      -0.54663525       0.02189205
K        9.81658760       1.40125666       7.21827885      -0.30462226       0.10603539       0.06275201
K        3.94920325      10.77305016       6.07504254       0.49979325      -0.50744686      -0.44777541
K       10.37581581       5.40158954      10.87140232       0.12074583      -0.33154110       0.24027632
K        0.89361509      10.06446807       5.67849425      -0.62855420       0.48244487      -0.83032615
K        9.85711223       8.48970555       8.31993237      -0.13487973       0.41370563       1.03322875
K        1.85002765      10.03679272      11.17794757      -0.43222482       0.65709174      -0.13815992
K        6.49990574       1.94525179      10.14058693       0.72310221      -0.12383555      -0.60214484
K        4.51246647       2.55329560       6.76886831       0.11482275       0.46312873       0.77438113
K        4.43774301       2.02292884       0.80722728      -0.57856695       0.14509714       0.47065693
Li      10.97473140       8.90048687       2.44554777       0.47765032      -0.69035749      -1.01555068
Li       2.64938024       2.76702375       4.42464955      -0.36311110      -0.02269962      -0.80592898
Li       9.00924636      11.10474742       2.59055267       0.36470760       0.16017145       2.13541007
Li       8.62561712       4.91227068       6.05023937       0.61191200       0.39440255       0.30077598
Li       8.67696769       6.87733710       3.38268410       0.25322978       0.04851480      -0.44890723
Li       1.03251978       5.98487670       4.82683756       0.05173375       0.40668252       0.33764995
Li       3.84575789       5.91101374       5.58497946      -0.57196259      -0.26280217      -0.41714783
Li       7.32675926       2.57143575       4.09440583       1.73130407       0.19655865      -0.08293855
Li       1.13467672       4.38504356       8.56937103      -0.35359841      -0.31189810       0.45775674
Li      11.39702474       2.94768102       3.17687482      -0.49046338      -0.66452383      -0.15666632
Li       3.29343690       7.50226520      10.43037579       0.34924735      -0.12471741       0.34748075
Li       7.73342417       9.67698986      11.14219055      -0.01492231       0.49354301       0.01848270
Li       6.54943067      10.48587767       8.17111338      -0.17033220      -0.37276673       0.40984453
Li       5.17396557      10.52684417       2.28311205       0.09765787      -0.41055949      -0.21366592
Li       6.45761361       6.40308851       8.61431441       0.33771537      -0.09707663      -0.01483139
Li       2.13072318       7.66982900       7.87749881       0.13285424       0.00948397      -0.31371009
Li       5.25842191       4.06823052       3.94608686      -0.15104499       0.13637921      -0.99617288
Li       6.47216061       7.53747569       5.24474703      -1.63119819      -0.64420757      -0.92487251
Li       6.10306674       5.14894147       0.42403526       0.38584724       0.11999727      -0.02343213
Li      10.11616750       1.37099983      11.09566572      -0.11387102       0.31181539      -0.00357020
Li       3.91295783       7.71037688       2.90940066       0.47709354      -0.71983804       2.08728151
60
Lattice="10.9717 0.0 0.0 0.0 10.9717 0.0 0.0 0.0 10.9717" Properties=species:S:1:pos:R:3:forces:R:3 energy=-472.65304451 stress="-0.026467200282092648 0.004544705512157727 -0.0010272339133111385 0.004544705512157727 -0.02786713557691679 0.0010219804912534648 -0.0010272339133111385 0.0010219804912534648 -0.026243983474808674" free_energy=-472.65304451 pbc="T T T" config_type=melt 
Cl       1.09919976       1.07621625       2.32989535       0.92529225      -0.07322651      -0.79464574
Cl       9.89438878       0.91049311       7.48911784       1.52282704      -1.42252822      -0.21987707
Cl       3.53505980       5.65459475       1.46991156       0.91158041       0.04776463       0.36509467
Cl       6.97689306       4.22393992       4.23604171      -0.28693227      -0.29606582       1.07352092
Cl       4.91279811       7.12210351       4.62238818       0.52724097      -0.53809158       0.75571033
Cl       7.21998204       3.95523202       9.39234573      -0.14181831       0.02831186      -0.29001212
Cl       3.93348611       6.54058146       8.75883977       0.44191795       0.75663744       0.27113343
Cl       9.58458088       6.89964132      10.03106324      -0.22607252      -0.99871146      -0.87517330
Cl       9.41458536       6.26230624       5.43839740      -0.54069444       0.57093575       0.01786383
Cl       7.48410378       8.55312040       7.15174904      -0.47510012       0.45721231       0.59189579
Cl       4.30067599      10.58370777       8.76649802      -0.57719591      -0.04162489       0.36788137
Cl       7.29698143       6.37276931       1.93665865      -0.18942530      -0.15372068      -0.37714469
Cl       8.48872749       2.12077475       1.97999687       0.12953434       1.34290434       1.22711471
Cl      10.86710678       4.84887698       2.33562258       0.08209717      -0.67778941      -0.16728116
Cl      10.42468395       2.53706299       4.96365194      -0.94737569       0.12530733      -0.32478606
Cl       4.92187170       8.87827770       1.33330293       0.22440423       0.23361312       2.06304632
Cl       6.75277414       1.27630495       6.58182408      -1.73836039       0.55381112       0.95372588
Cl       7.24272638       0.15919278       9.82604606      -0.57389726       1.02821591       0.74798844
Cl       3.06909170       3.79282892       4.26236282      -0.11569236       0.02905637      -0.10225408
Cl       3.42441020       3.29437361       8.97719854       0.36162417      -0.59804197       0.07717192
Cl       4.36027427       1.01726969       3.78942769       0.29881128      -1.69719462       1.03651666
Cl       8.83173575      10.14891027       4.50798627       0.15186451       0.10897735      -0.44898405
Cl       0.67840874       4.87591125       6.94985879       0.53879024      -0.26749341       0.72763668
Cl      10.06494385       7.99382702       2.23416727       0.76545119       0.09977890       0.89676207
Cl      10.37369846       3.07263556      10.06695167       0.05886706       0.28174321      -0.14785315
Cl       9.47808956      10.50725697       0.84433156       0.54572975       0.07243135      -0.43118556
Cl       2.13845016       9.11501407       3.54662397       1.55542377      -0.26322068       0.82590505
Cl       1.92252710       8.08699869       6.48803799       0.15977250       1.88976808      -0.16015138
Cl       1.49005561       8.89126819      10.38425324       0.59879809       0.08943820       0.21086246
Cl       5.52252839       2.69449592       0.98199787      -0.98312750      -0.04254525      -0.44799100
K       10.31867539       8.64842058       7.12350789      -0.28355297       0.06867070       0.13471369
K        1.62834291       0.84847009       5.26999277       0.54599562      -0.43613447       0.55724480
K        1.70258841       1.00753341       9.91287609      -0.34246529      -0.29960103      -0.06750839
K        6.82331120       8.29305819      10.51365347       1.09591783      -0.30401111      -0.98558579
K        4.36285262       9.56723463       5.81033803       0.43769384       0.65984672       0.55138327
K        6.50261938       0.13857257       2.20621138       0.66802992      -0.61376532      -0.19222518
K        1.76680577       5.09456626      10.44613363      -1.28207404       0.29109146      -0.15486018
K        6.37831002       5.96858286       7.05940024       0.14787877      -0.52839750      -0.15326341
K        1.41711574       6.42075953       4.22523459      -0.33669987      -0.35284005      -0.13471060
Li       9.41454148       4.46460416       4.26915430       0.02443649      -0.31689821      -0.39710274
Li       6.85641282       3.98612833       2.13525740       1.07836912      -0.38559242      -0.96302979
Li       8.41350551       7.56203576       3.89473407       0.14709649       0.46255704      -0.12206609
Li       9.48395942       6.21564360       1.30753040      -0.16915982      -0.51271706      -0.51224769
Li      10.25142984       5.01862016       8.64780617      -0.38602360      -0.01711395       0.21979869
Li       4.56630085       4.93635435      10.07639831       0.62666348      -0.56403073       0.38020487
Li       8.19606836       1.18218970       5.25825306       1.58349242      -0.01110730      -0.79859664
Li       8.20046801       2.04138353      10.84670930       0.22888565      -0.06275103      -0.44900763
Li      10.01467152       0.84208346       3.11677471      -0.73591056      -0.42263370      -0.23473973
Li       3.90700043       8.82793954      10.63456160      -1.81109047       0.21886343      -2.28546939
Li       8.20927829      10.64955992       8.04293635      -0.70358736      -0.35277409      -0.89212259
Li       5.58206084       5.69215088       3.14095633      -0.42302175      -0.14513645       0.10262584
Li       5.24651334       1.81260164       9.54438058       0.19810111      -0.28898580      -0.39323771
Li       5.23393977       2.84804486       4.52322596      -0.15803031       0.08525717       0.78985738
Li       3.93064444       7.42885030       2.83462647      -0.90409238       1.04293529      -1.03812755
Li       0.87731030       9.66622130       2.13674955      -1.37639821       0.28342188      -1.58442808
Li       2.33296743       6.31670393       7.18272215       0.46056642      -1.64146533       0.80927468
Li       0.71231019       2.95679635       3.24335521       0.34179246       1.02891226      -0.12075033
Li       3.73256137       2.22071597       2.28248664      -0.84358625       0.90810469      -0.56223897
Li       8.88129491       2.45243827       8.34424117      -0.78727883       0.85897522       0.39563202
Li      10.38732531       8.62963703      10.92372076      -0.04628277       0.70166691       0.67809209
60
Lattice="11.2617 0.0 0.0 0.0 11.2617 0.0 0.0 0.0 11.2617" Properties=species:S:1:pos:R:3:forces:R:3 energy=-471.60156005 stress="-0.01619068610366281 -0.0023160401555149196 -0.00042827833778861244 -0.0023160401555149196 -0.008774276754194916 0.002146491750880004 -0.00042827833778861244 0.002146491750880004 -0.006407819909938359" free_energy=-471.60156005 pbc="T T T" config_type=melt 
Cl       0.77333756       3.31377775       2.45885705       0.88821724      -0.85381603      -0.35036931
Cl       4.39079043       4.42985727       1.29318101       0.10149942      -0.36819913      -0.10544254
Cl       6.78881178       4.64652111       3.51255802      -0.24073360      -0.34499592       0.25315228
Cl       5.77438037       6.18463284       9.41062563      -0.17116989       0.81682623       0.52007013
Cl       5.70980578       8.43434886       3.76926847       0.21069441      -0.33024389       0.07143639
Cl       7.11757459      10.70134033       6.37181355      -0.00864418      -0.44305424       0.37415269
Cl       5.98695622      10.98677938       9.89975505      -1.33021286      -1.15813936      -0.08372253
Cl       7.96437560       2.35513680       0.33959093      -0.26626315       0.64232544       0.05150501
Cl       8.87238394       1.22733385       3.52010335       1.34138199       0.25779656      -1.81861175
Cl       7.98769858       2.83659700       7.46629313       0.07950887      -1.15456530      -0.45990290
Cl      11.01294031       2.21707962       8.54845240       0.77547209      -0.37332748      -0.08062515
Cl       9.92759397       5.44680004       1.61426334      -0.20108456      -1.16518624       1.33897290
Cl      10.66202574       4.22836293       5.16017851      -0.38696280      -0.03378578       1.46768205
Cl       7.85649977       6.76285356       5.87853983      -0.32883381      -0.54636842       0.56253713
Cl       9.18863500       5.54350425       9.20250942       0.33773936      -0.12849347       0.11013918
Cl       7.52747794       7.63088287       1.01732905      -0.63201527       0.40824613      -0.10609315
Cl      10.13607056       7.99888144       3.74727437       0.49763499      -0.34249423      -1.07443165
Cl      10.80200867       9.51637300       7.18654124      -1.30535881       0.35822646      -1.16133997
Cl       5.20552938       2.60912192       8.96737638       0.25174068       0.08784970       0.36945456
Cl       3.77470787       1.97754326       5.25427001      -0.28438682       0.63832960      -0.26973796
Cl       8.91003181      10.88722595      10.33774509       1.59812081      -0.05702568      -0.33945705
Cl       3.14988623       0.30809871       7.95471306      -1.24066164      -0.34379597       0.13519276
Cl       4.44766201       0.50583840       2.36421373      -0.12526265       1.01175398       0.65435625
Cl       0.86749889       0.02356713       1.63617861       0.18814639      -0.47722633      -0.41939992
Cl       0.01840792       7.78633938      11.19800382       1.37752672       1.07760958      -0.42603360
Cl       3.43477345       8.78029702       0.87181324      -0.43190757      -0.51195124       0.06041730
Cl       1.60547921       9.55404338       4.21765305      -0.82500675      -1.24292075       1.84078439
Cl       3.07930915       8.13608274       8.03481753       0.23698674      -0.08476331      -0.33782329
Cl       2.95353849       4.63180207       8.64566340      -1.11112325       0.34419470       0.04731556
Cl       2.13617556       6.01585374       3.60544452       0.71081204       0.07097698       0.32113105
K        0.62538923       1.04096623       5.36168411      -0.05050213       0.09567777      -0.31572036
K        2.11733474       5.71391630       0.48175751      -1.40408560      -0.13269163       0.18784360
K        1.03814517       7.15288002       6.11121781      -0.25756543      -0.08633784       0.38295663
K        8.41094705       8.31974980       8.84185347      -0.45115028       0.24033444       0.06287520
K        4.77556893       6.10036153       6.21751700       0.26137842      -0.37021281       0.58798986
K        3.20016972       1.39157448       0.00627130      -0.05546924       0.12271425      -0.81879164
K        1.06176546       9.84603674       9.32597143       0.52674950       0.44962401       1.18096963
K        4.20895902      10.08942460       5.46565212      -0.08014281       0.22644271       0.56627163
K        6.67496725      10.56043394       1.48360510       1.24154371      -0.29156659      -0.34824802
Li       8.95088925       4.04530400       3.79497893      -0.10575688      -0.64148705      -0.73517567
Li       0.04200614       9.03779579       1.85221180       0.15756766       0.11298885       0.19910611
Li       2.26032455       2.38947372       7.84565475       0.25163923       0.59073734       0.30233123
Li       2.94716437       3.34131260       3.43815196      -0.63749091       0.09062295      -0.00151275
Li       8.91265578       8.46043096       5.27834753      -0.32599547       1.32643986       1.12150585
Li       8.65372678       4.84926550       6.96002340       0.45365378       0.24186679       0.23359110
Li      11.02490023       5.70387086       3.69920943       0.37286258       0.32925307      -1.24155019
Li       5.23618372       0.59366389       7.47946932       0.67934297       0.65336734       0.82652525
Li       9.49288109       6.92229671       0.24965049      -1.35283981      -0.48395176      -0.50409051
Li       9.32200732       3.34639163      10.02323959       0.15280791       0.32226803      -0.29705592
Li       9.59627476       0.54613614       7.75641704      -0.19011002      -0.17708327       0.66156288
Li       5.47066358       2.89100227       2.34548552       0.94386383      -0.41042570       0.33224966
Li       7.85738945       0.98740108       5.12784617      -1.19270244       0.43196874       1.74467113
Li       3.52234443       6.70146603       9.72775510       0.35566367      -0.11294570      -1.18951671
Li      10.31417435       1.15971860       1.31350838      -0.71625135       0.53292605      -0.01521384
Li       2.70647931      10.53865381       3.00360801       0.90713519       1.12250202      -2.28323159
Li       5.28770600       8.07123787       0.13347592       1.25819259      -0.28779522      -0.47936897
Li       4.08277167       7.08947665       3.32020818      -0.23007431       0.08796908      -0.81960104
Li       7.29768296       1.41394022       9.42406084      -0.17093423       0.20162301       0.35608708
Li       7.95427385       6.68237745       3.35542351      -0.19717551       0.21203712      -0.55190758
Li       5.78760160       4.20104204      10.55835053       0.14999125      -0.15064847      -0.29086091
60
Lattice="10.5542 0.0 0.0 0.0 10.5542 0.0 0.0 0.0 10.5542" Properties=species:S:1:pos:R:3:forces:R:3 energy=-470.97798886 stress="-0.04749180619175841 -0.004092959043882211 -0.004507456129520874 -0.004092959043882211 -0.04731932520781919 -0.003971867400500768 -0.004507456129520874 -0.003971867400500768 -0.044697215831449484" free_energy=-470.97798886 pbc="T T T" config_type=melt 
Cl       3.54209506       2.42032081       0.31372993      -1.93130567       1.20459852       0.63701777
Cl       4.49609975       0.78636495       7.94407246       0.46118062       0.69579377      -1.77505305
Cl       6.84516916       4.21935808       0.23272961      -0.07992160       0.55744946       0.43658664
Cl       6.64818557       3.49180430       4.25651941       0.44712268       0.30242887      -1.38983415
Cl       3.66338393       5.25894678       4.84296354      -0.33737191       0.47002158      -0.67080846
Cl       7.56693923       9.00074841       7.16818045      -0.35664137      -0.56546657      -0.33902530
Cl       3.45541342       9.50438428       2.12122533      -0.27847108      -0.04941201       0.02546130
Cl       5.76033460       9.50798326       4.27924261       1.58208201      -0.33164946      -0.12983799
Cl       3.97519721       7.49794643       7.33917960      -0.28204773       0.06683868       0.56694403
Cl       7.80564357       1.40414132       2.31162310       0.63387527      -0.55782443       0.85866687
Cl       7.81874134       1.63365296       8.36497396       0.64218502      -0.29052884       1.16757296
Cl       9.73540516       3.13811195      10.45772406       0.72332171       0.24017143       0.92298916
Cl       8.88512715       6.08447519       2.41567696      -0.20382964      -0.65364520      -0.18241614
Cl       9.40639909       3.47087532       6.56608445      -1.11494554       0.32584371       0.64383180
Cl       6.81868867       6.45636298       5.36009823       0.75776856      -0.26492619       0.50658335
Cl       9.05739280       5.98755597       9.05087031       0.33850594       0.28108262      -0.23619984
Cl       7.83292618       8.58157780       0.27434165       0.41412745       1.49340365       0.60724487
Cl       9.61617437       0.05878689       5.12906679       0.24859816      -0.38434222       0.01795094
Cl       3.92436819       1.63051836       4.38119618       0.23708210       0.33530042       0.54989031
Cl       5.86485284       0.90362633       0.17182343       1.24500842      -1.60680756       0.50431240
Cl       5.65133082       4.43054762       7.90513802      -0.30995535      -0.31704021      -0.15478768
Cl       1.18779078       8.11970490       9.55165654      -0.24600255       0.33744433       1.32361517
Cl       0.34667908       0.41225022       0.57178223      -0.16469015      -0.08186781       0.20156856
Cl       1.07664450       1.31040947       7.86185524       0.94463539       1.08112954      -0.51690510
Cl       2.08101383       9.46610420       5.48405731      -2.30929598      -1.71221969       0.04714181
Cl       1.03676967       7.79687303       2.97887018      -0.38296597      -0.40339580      -0.44017633
Cl       4.31056747       6.71998579       0.39022888       0.00438661       0.68700991       1.37971804
Cl      10.54669871       3.51624783       3.67682998      -0.35512220       0.08266689      -1.56598611
Cl       0.14358672       6.48276959       6.11703490       0.36856648       0.65108708      -0.30420471
Cl       1.72037682       4.94406222       8.72326794       0.79653674      -0.60428774       0.24139257
K        8.79620801       8.94287973       3.15855543      -0.50583128      -0.27702195      -0.20487306
K        1.47767243       1.11784809       3.29514789      -0.40369523      -0.49016774      -0.49769066
K        1.35774506       5.14154186       1.29211904       0.22463949       0.07307923       0.18168007
K        1.47771465       3.79702121       5.89019348       1.29316070      -0.12596143       0.89300184
K        3.83878418       9.70825976       9.84610817      -0.72620023      -1.15939041       0.55985212
K       10.20726867       9.69297728       7.64686619      -0.19542192      -1.03451658       0.43779800
K        6.76018674       1.37218320       5.94428375      -0.45374006      -1.24149087      -0.31246714
K        6.60965218       7.01319202       9.12543573      -1.61097194      -0.54500021      -0.49060820
K        5.77214475       6.54043774       2.77637730       0.08993976      -0.12747982      -0.13894444
Li       1.61821216       7.00389377       7.82324798       0.15908148      -0.28388764      -0.62170129
Li       8.54297054       6.24678823       6.79500504       0.21471877       0.27320421      -0.15990092
Li       4.90953943       0.36826559       2.66046052       0.86954544       0.65777212      -0.31470580
Li       7.85015063       3.96453747       8.64886083      -0.42218568      -0.39729670       0.24363053
Li       2.77810819       0.31901547       6.60518776       0.76917215       2.03664959       1.53927197
Li       5.24630284       2.54946200       9.41160231       0.11697090       0.20347587      -0.80505904
Li       1.40492233       2.12503540       9.83272544       0.12599555       0.11364775       0.48792821
Li       8.62204261       4.27219240       4.67329422       0.06687771       1.47443453      -0.05629127
Li       8.47409383       3.46598873       2.13399591       0.15872875       0.82157818      -0.60632510
Li       2.18852947       7.20363201       4.92334432      -0.22196633      -0.40803678      -0.02354940
Li      10.22180603       4.24245067       8.78683588       0.65101426      -0.08755699      -1.00295090
Li       5.23911543       3.90060013       5.76165388      -0.78326649       0.70033142       0.26113310
Li       9.36769684       1.96792558       4.69078253      -0.39941902       0.89597972      -0.26332764
Li       8.71347364       1.16122585       0.22995808      -0.35204913      -0.17841992      -0.14266608
Li       5.70518891       2.84277377       1.28107935      -0.38316894      -0.50258353       0.75118620
Li       7.19592744      10.14652292       8.86106357      -0.54895950       0.51976396       1.12990786
Li       5.70534722       8.24055049       6.12100328       0.17430851      -0.16903623       0.10521078
Li       3.74091508       5.90369230       9.27505207      -0.41329385      -0.99497070      -2.02841750
Li       3.73677784       9.60137738       4.48387799       0.62701482       0.45128609      -1.31924685
Li       1.36530187       9.32211325       1.39391430       0.34432768      -0.96469369      -0.24837032
Li       9.61618492       7.29141129       0.54227480       0.04225724      -0.22254823      -0.28675878
60
Lattice="10.1429 0.0 0.0 0.0 10.1429 0.0 0.0 0.0 10.1429" Properties=species:S:1:pos:R:3:forces:R:3 energy=-467.32603846 stress="-0.07298458299910301 -0.0001550787702019625 0.009690277400407815 -0.0001550787702019625 -0.0842394671772257 0.0045811619297846645 0.009690277400407815 0.0045811619297846645 -0.08174551912672624" free_energy=-467.32603846 pbc="T T T" config_type=melt 
Cl       0.78520652       1.40584651       0.06708899      -2.26203597       1.31831015      -0.43094310
Cl       3.50803354       9.77248129       1.04839043       0.03183636      -1.10107408       0.02479496
Cl       5.72569748       3.60927996       2.98708405      -0.68038912       0.24853916       0.99075767
Cl       3.73505192       6.35981130       1.02160303      -0.76303308       0.15242933       1.57593889
Cl       6.05882074       9.15731441       3.41144270       1.08787898       0.23630995      -0.44219366
Cl       6.05971332       8.91444267       6.56617874      -0.07349390       0.64351679       0.42690989
Cl       4.07475793       1.43457120       8.90935093       0.08963127       0.08167741      -1.36204421
Cl       6.04255153       3.28822675       6.84549392      -0.42719460       0.18119815       0.09761822
Cl       4.28277867       1.18720616       5.17895460       0.46500644       0.57766840      -0.29439023
Cl       2.91672275       2.39252754       1.94210163       1.05938074       0.31500079      -1.11306088
Cl       6.36171817       1.44308110       0.90228196      -1.62959694      -0.15662976      -0.40647797
Cl       1.01607515       8.09057547       9.22757428       0.25988208       0.08679024      -0.19023288
Cl       9.17126089      10.14218148       4.84083088       0.02958772      -0.26020020      -0.51970721
Cl       5.24572531       4.17808365       9.74167730      -1.16968049       0.42551961       1.93089564
Cl       2.72788224       8.93814662       4.06068973      -0.10962314      -0.46713443      -0.19592156
Cl       8.87037177       2.49446368       2.28067164      -0.98122236      -0.53547646       1.16281733
Cl       8.35571088       9.16718345       0.18559478       0.33602251      -0.05865393       0.92783012
Cl       8.39733734       3.79079730       9.65741009      -0.57025855       0.88763755       0.54512616
Cl       1.25858175       2.63467913       4.31955682       0.23313094       0.38935470      -0.69356994
Cl       7.80207082       6.60462034       8.48279127       1.24931602       0.03778597       0.74531197
Cl       1.47829725       0.74190648       6.75676384      -0.38410854      -0.08561424       1.89064885
Cl       7.07653904       5.61860874       5.20312513       1.17110043      -0.05639562       0.05020491
Cl       0.76122464       6.93549188       2.09039083      -0.16653985       0.19985993       0.24559881
Cl       4.50214931       6.11002210       7.56982884      -0.40925776       0.55648823      -0.18249520
Cl       7.49313838       5.99624919       1.92859129       0.08575973       0.32978432      -0.38918400
Cl       3.19054048       5.12709395       4.61033348      -0.74776065       0.17981747      -1.63584642
Cl       0.82384082       6.92463897       6.27616280      -0.70923982      -0.58021525      -0.26456252
Cl       8.12682620       1.28560243       7.86482495      -0.80693251      -0.11958717       0.69901787
Cl       1.46562876       4.59098083       9.25700897      -0.41523339      -0.02635250      -0.42285190
Cl       9.62455724       3.51175598       6.57150377      -0.37048160       2.68720577       0.83230148
K        7.14709306       1.84628166       4.72821426      -0.15788834      -0.20214250       0.06144616
K        5.74973615       7.82738750       0.14839063       0.54541880       0.80247409      -0.55584239
K        5.03643671       6.68959755       3.74493111       0.54664333       0.61898428      -0.56365558
K        2.98082588       3.66579620       6.62485542      -0.38919097      -1.42842875       1.95187718
K        0.49371276       0.04536513       2.35280794       0.21941724      -0.52494346       0.46292044
K        0.76631942       4.09617974       1.97167833       0.36053676       1.12235870      -0.26752227
K        2.97534871       8.46421962       7.11003090       0.79832085       0.62534443      -0.13373113
K        9.17539920       9.02736357       7.52091978       0.10898509      -0.50766510      -0.49786728
K        9.06468944       7.51386032       4.09463802      -0.84811742      -0.33199422       0.29870403
Li       6.27827253       2.61612777       8.98800912       0.69596692      -1.27321378      -0.58274386
Li       7.21442163       9.98636462       1.82982987       0.57054688      -0.57912262       0.55815605
Li       9.03800347       6.85283738       0.58869797       0.35240764       0.35523990      -0.43316646
Li       9.78731021       5.48630475       7.64415601      -0.00542896      -0.01121690      -0.06679327
Li       2.15086280       0.76158472       4.78478122       0.26968393      -0.42702309       0.01637920
Li       3.54630270       2.85980080       3.86645319       0.31248951       0.68237945       0.78120501
Li       2.51080389       2.74723489       9.86201267       0.48702902      -0.16021119       0.01860932
Li       2.22937899       0.35154379       9.48225235       1.32915731      -1.77925251      -1.25367601
Li       7.90959571       4.35374854       3.32273290      -0.17471412       0.18480788       0.67369031
Li       4.15822386       4.25352654       1.52903203       0.06815248      -0.17232565       0.43759682
Li       9.88282590       2.73718328       8.71790369       0.68211861      -0.47809545      -1.18750141
Li       3.40644225       5.43901855       9.36317471       0.17624215       0.14606703      -0.92984498
Li       9.97242828       1.87523964       5.59070562       0.24567893      -1.73486438       0.08183384
Li       2.25356981       8.04806658       0.72187121       0.28307753      -0.51229134       0.89632219
Li       2.03280959       6.96302985       4.43727532      -0.46630243      -0.36282988      -0.36064612
Li       4.71335492       0.55745378       2.78999736      -0.63980013       0.27390845      -0.13219670
Li       8.31862843       1.49962777       0.12581963       0.93550657      -0.26907954      -0.45696736
Li       6.85259395       3.58198542       1.19407290       0.54541207       0.37478684      -0.38863107
Li       5.80500481       1.04728485       7.23253685      -0.34400314      -0.57707224      -0.17651513
Li       6.51060580       6.87284933       6.90349103      -0.49722891       0.39726563      -1.05323904
Li       6.34967854       5.01844320       8.24466641       0.56743187      -0.33940439      -0.80049160
60
Lattice="10.1714 0.0 0.0 0.0 10.1714 0.0 0.0 0.0 10.1714" Properties=species:S:1:pos:R:3:forces:R:3 energy=-465.33193363 stress="-0.07478108672574135 0.0046578864858692615 0.0016570319061792167 0.0046578864858692615 -0.083971373126655 -0.006406924484314633 0.0016570319061792167 -0.006406924484314633 -0.0796728984637547" free_energy=-465.33193363 pbc="T T T" config_type=melt 
Cl       3.45465498       2.15753703       1.68411938      -0.46051848      -1.03712508      -1.59056863
Cl       4.05392336       1.06810889       5.23536198       0.45062468       0.76751765      -0.15075059
Cl       6.08926118       3.28513843       6.60840944      -0.13442122       0.82667064       1.59396402
Cl       3.95288067       1.30655702       8.67348844      -0.03733462      -0.07661803       0.00659546
Cl       7.33845150       5.88095091       5.23930848      -0.22172184       0.23763395      -0.03398467
Cl       4.14126517       6.55504010       7.65654169       0.16161940      -0.25236114      -0.27943290
Cl       5.34236511       4.19173565       9.62048646       1.06074263      -1.25645942      -0.52421427
Cl       6.28309755       9.13570737       3.82966433      -0.92019113      -0.07042104      -0.18294452
Cl       6.31434409       1.15005986       0.52216509      -0.59851881      -0.48808971      -0.28856365
Cl       6.31805665       8.94050803       7.16759232      -1.35967147       1.04979917      -0.28161986
Cl       8.18084685       0.85756396       8.11021665      -0.15230058       1.07470742       0.41293104
Cl       8.26439473       5.80720826       1.79301439      -0.28431736       0.74493477      -0.51520167
Cl       9.74434360       3.67864955       6.63674696      -0.53063038       0.43190419      -0.01013019
Cl       7.71216908       6.49068565       8.52707113       1.70832739      -0.76506700       1.65265376
Cl       8.39899286       3.61770252       9.88009110       0.06763507       0.15208193      -0.87552627
Cl       8.61368060       9.21535960       0.97880094      -0.22523170      -0.48791414      -0.72157782
Cl       9.15739279       0.00650970       4.84858432       0.80224746       1.59750468      -0.45242323
Cl       8.52340943       2.60117281       2.69663140      -0.05259876      -0.50604803       0.27884148
Cl       1.01458088       8.73316404       9.25047127       0.36596789       0.09970166      -0.08270274
Cl       5.69408195       3.95960396       2.87146759       0.65255228      -0.17302620       2.47596715
Cl       2.67643100       4.87536562       4.51058870      -0.22361446       0.28208542      -1.37593622
Cl       0.64722754       1.98315854       0.30392550       0.37072911      -0.99298110      -0.13411814
Cl       1.12644186       2.22015216       3.62713141       1.61570746       0.06299039       0.13948045
Cl       2.60562788       8.78274962       4.26407465       0.22886017       0.00754017      -1.07467496
Cl       4.07853814       9.41023345       1.29366985      -1.39730644      -0.51945046      -0.32824317
Cl       1.36246920       1.22973243       7.00808443      -0.28917268      -0.48727275      -0.23721387
Cl       3.66657610       5.79253093       1.14192274      -0.61212423       2.08832819       1.58179801
Cl       0.94424056       7.35833659       2.03193041       0.65956025      -0.35723458      -0.17186567
Cl       0.39695109       6.71765027       6.21629180       0.57803793      -0.09595770      -0.04804072
Cl       1.54106881       4.86498062       9.23890639      -0.39827876       0.00235610      -0.13263805
K        0.76444784       4.49930862       2.09956005       0.00044620       0.06301597      -0.23070707
K        6.83200732       1.71036160       4.83145569       0.85827663      -1.18913936      -1.38095877
K        2.88550412       8.91931083       6.96190627       0.13157220       0.35376328       0.90871939
K        4.81049243       6.53884723       3.77605088       0.50328258       0.50981356      -0.09744952
K        5.92495239       8.01093361       0.01401822       0.88604322      -0.68590552      -0.52614682
K        9.20279792       8.84143859       7.12908340       0.20354477      -0.65344551       0.72091679
K        8.82221465       7.91149801       3.60195720      -0.00266414      -1.39159202       0.27965215
K        0.66129357      10.16710767       2.23298847       0.19385870      -0.56722144       0.09520395
K        3.34374604       3.62032674       6.64169026      -0.80660204      -0.66458553       1.50472375
Li       3.61701087       5.24422127       9.37182625      -0.41944590       0.77788967      -0.89459555
Li       4.17382382      10.09270734       3.31948725       0.56309975      -0.14167798       0.23813525
Li       9.74679491       6.80624317       0.22040407      -0.28386896       0.55004092       0.39231928
Li       1.91238594       0.53439925       4.84116937      -0.81685377       0.67986265       0.96445476
Li       9.78542588       5.20009774       8.28440187      -0.73008248      -0.22986259      -1.00778447
Li       3.29642868       2.58688199       3.59400316       0.10687759       1.09498932       1.79635907
Li       2.48031623       2.86894508       9.81908305       0.42605948      -0.20732622      -0.18150199
Li       7.73029451       4.60965814       3.46600626       0.11495136      -0.11791436       0.31351901
Li       6.74696425       3.00906629       1.24750187       0.86981131       1.14491906       0.01957776
Li       9.93002251       2.24314970       8.47097586      -0.18636727       0.18508242      -0.78448739
Li       5.58473940       0.81709196       7.24539336      -0.03518508       0.07405093      -0.10554013
Li       9.91046290       2.26998185       5.05044593      -0.99846827      -0.45627132       1.13581350
Li       6.75691188       2.38060600       8.70309738       0.05863148       0.83266059       0.29313322
Li       4.49105961       3.85520471       1.37254906      -0.76001348       0.66975899      -1.12871976
Li       8.52218886       1.39939138       0.47490063       0.47960994      -0.05835977      -0.38614429
Li       7.01373973      10.04240020       2.05147984      -0.03980388       0.23481843       0.42378781
Li       2.54963432       8.10690077       0.40322990      -0.02870273      -1.70664080       0.90999247
Li       6.63534330       6.97397972       6.97118259      -0.59690473       0.36392161      -1.89458022
Li       5.85015191       5.21262890       7.74338511       0.66053532      -0.97951942       0.20450902
Li       2.54638965       0.18140895      10.01050879      -0.22621412       0.86457837      -0.27212027
Li       2.00709185       6.92019336       4.80694261      -0.95008245      -1.20943392       0.04005948
60
Lattice="11.4272 0.0 0.0 0.0 11.4272 0.0 0.0 0.0 11.4272" Properties=species:S:1:pos:R:3:forces:R:3 energy=-471.68016186 stress="-0.009122154773861496 0.0003313608581648828 -0.0009247019840173666 0.0003313608581648828 -0.009861078563305422 0.000520269225738536 -0.0009247019840173666 0.000520269225738536 -0.008316668759869101" free_energy=-471.68016186 pbc="T T T" config_type=melt 
Cl      11.22734970      11.13024135      10.67868412      -0.10310721       0.47566569       0.83616812
Cl       6.03625842       7.95722788       1.56168686      -0.74965486       0.06066089       0.15105413
Cl       3.70820639       5.72067344      11.30119227       0.17817037      -0.19474452       0.08277714
Cl       7.48633582       6.34952368      10.41485292      -0.20378464      -0.47268089      -0.06009240
Cl       5.05357636       5.69122554       7.17711579       0.48137362      -0.03602642      -0.29195339
Cl       5.05881001       8.56750892       8.89278417      -0.01434461      -0.25251521      -0.05188381
Cl       6.08440121      10.77351845      10.93972708       0.10670482      -0.05702984       0.03894587
Cl       4.66472017       3.28910240       9.68447201       0.96049262      -0.67978383       0.63223109
Cl       6.77541542       0.07789557       7.20230133      -0.22162256      -0.10908247       0.28592033
Cl      11.28735393       3.82061576       0.26646745       0.18323496       0.03908863      -0.06821222
Cl       8.73123784       1.15491282       2.68700324       0.78246205       0.18598613      -0.14587097
Cl       6.22908099       3.45109439       5.06507212      -0.52803789      -0.15883659      -0.17161493
Cl       9.43588470       2.49810019       6.69265964      -0.25189698       1.29755953      -1.31473448
Cl       6.94962309       8.14726221       4.91493014      -0.13459587      -1.03954158       0.67019089
Cl       8.47392015       2.48947266       9.96441556       0.36815575      -0.71474499       0.25086777
Cl       5.94708055       2.23262348       1.44296968      -0.42231372       0.66207808      -0.22323518
Cl       1.16860261       7.92576879       0.01263231      -0.68733526      -0.33404959       0.37935225
Cl       2.61718304       2.98715007       4.22385879       0.51536449      -0.14005530      -0.48277897
Cl       1.97848255       3.50473367       7.26960754      -1.89603400       1.08408700      -0.59033017
Cl       2.58206726       0.12340233       8.23736568       0.71588688      -0.13804565       0.22508077
Cl      10.93993276      10.71625675       7.06714041      -0.40390566       0.87288949       0.09677581
Cl       8.93191090       7.95691934       7.48046224       2.00559592       0.72677802       0.80831479
Cl       0.93898674      10.48165634       3.27965211       0.07421922       0.15016542      -0.54066138
Cl       9.52232004       8.04378892       2.39667236       0.76714695       0.90091834      -0.36109746
Cl       4.69774477      10.96421556       4.02091172      -1.07231647       0.60575692       0.27310443
Cl       9.96945495       5.18628043       8.69767615       1.82863686       0.13858273       0.33716845
Cl       0.29113535       5.28647412       4.00340525      -0.97170738      -1.05335331       0.96532750
Cl       2.06495218       7.00349091       6.91575287      -0.74461682      -0.48430086      -0.20098648
Cl       8.63568359       5.04619438       2.20565529      -1.25090655      -0.73525765      -0.16145665
Cl       2.71990214       6.84363581       3.47336600       1.04781493       0.68948107      -0.69854408
K       11.23526875       1.67803861       4.46179595       0.17487158      -0.00282931       0.02908902
K        4.22073916       8.57990743       6.06745468       0.08791851       0.49176054      -0.64549251
K        7.12842449      10.22856671       3.22562431       0.81828956       0.39870115      -0.83215752
K        8.31969866       5.41960100       6.29217056      -0.03073600      -0.77014036      -0.58696351
K       11.08777788       8.63394666       5.15116464      -0.13811426      -0.53256493      -0.17472313
K        3.49207233       0.13609795       0.88187245      -0.06021633       0.21842426       0.36516737
K        1.09735973       8.90204020       8.64137434      -0.04497521       0.87441904       0.50959770
K        0.28338199       2.12150539       8.90901079       0.14325297      -0.21408142       0.41789258
K        8.86282205       9.64158573      10.52403982      -0.38504078      -0.57719486      -0.41677667
Li       3.26976758       7.57216552       0.82173795       0.31905278       0.06554609       0.67034236
Li       2.42832571       4.73721432       2.83794512      -0.11920993      -0.36605524      -0.35388767
Li      11.09729674       9.59704250       1.62470787       0.29522653       0.05326866       0.01698199
Li       0.49322309       6.39500394       2.27361285      -0.39647402       0.87171516      -0.61369385
Li       2.93959006       5.18871442       5.24105100      -0.24785453       0.12827669       0.66143084
Li       8.98823557       4.54127212      10.64588805       0.46329860       0.24890346       0.31902078
Li       0.64054713       5.52860506       7.73891122      -0.00412388      -0.60507428      -0.83299279
Li       7.48913548       7.10304468       3.00663345       0.34468644      -0.54251221      -0.23148351
Li       0.44969460       5.64416833      10.38843324      -0.05029229      -0.04207529       0.55227715
Li       4.72058775      10.87868297       8.72287313       0.41029515       0.16341153      -0.10686603
Li       7.23411466       2.99504627       3.14477687       0.52136358       0.15163982      -0.65637787
Li       4.29612440       1.60786418       4.87302660       0.11571725      -0.10548698      -0.26789728
Li       7.21329430       1.68424358       5.76345687       0.70881736      -0.32723408       0.54550996
Li       3.85809697       3.29595872       7.77306712       1.72652835       0.06830005       0.08492984
Li       9.93574471       1.68722608       0.48199701      -0.02489219       0.14490971       0.13940788
Li       6.76917617       1.44786052      10.85542862      -0.67113179       0.35429543       0.10954233
Li       6.20396401       8.15320436      10.85272037      -0.43588233       0.25671893      -0.31338670
Li       6.55327066       4.74357927       0.55663491      -0.28620461      -0.06366881       0.50322330
Li       7.02795654       7.65061324       7.14957623      -2.17161460       0.28304808       0.04239701
Li       9.57371959       0.94075795       7.91949526      -0.77163369      -1.73065429       0.49238965
Li       5.47921670       5.56956014       9.42499458      -0.65000116      -0.18341578      -0.09632748
60
Lattice="11.0305 0.0 0.0 0.0 11.0305 0.0 0.0 0.0 11.0305" Properties=species:S:1:pos:R:3:forces:R:3 energy=-472.48776024 stress="-0.02209064497666149 0.00521332211540407 -0.0010661449854055941 0.00521332211540407 -0.022239120623423342 0.0015907731125969007 -0.0010661449854055941 0.0015907731125969007 -0.019812371287848466" free_energy=-472.48776024 pbc="T T T" config_type=melt 
Cl       2.01531647       1.83808943       2.17930692      -0.47899646       0.63552370      -1.05756872
Cl       6.24555734       3.98421660       4.18372525       0.68549011       0.01672678      -0.53249795
Cl       4.05976449       6.56793474       9.10965976       0.50453075      -0.39369504      -0.55349699
Cl       6.20534014       8.47565971       3.86188835       0.50528658      -0.88461197      -0.55857391
Cl       7.07466488       8.67050246       7.37847794       0.37170115      -0.01579945      -0.00949898
Cl       4.64017837      10.57114586       8.76163645      -0.21706683       0.58283907       0.10400932
Cl       8.63759848       2.39435754       1.76431744      -0.40502545       0.18964691       0.88727549
Cl      10.64179621       2.22426723       4.63406748      -0.52344297       0.12851890       0.38281355
Cl      10.11426255       0.30750718       8.15334850       0.58226283      -0.02971141      -0.05524568
Cl       7.67332320       1.97087459       6.40638203      -1.00632266      -0.04985999       0.42957115
Cl       7.68982483       0.37236983      10.15858310      -0.68279664      -0.04051575      -0.01411412
Cl      10.05999249       3.48484380       9.69689049       0.31661558      -2.45864045       1.95094743
Cl      10.90685913       4.62263988       1.96360549       0.73856193      -0.20130978       0.58878473
Cl       9.14124008       6.25159103       5.36106567      -0.53684600      -0.73613192       0.32043428
Cl       9.86303188       6.47318274       9.71436280      -0.07506632       1.43204393      -0.28043667
Cl       9.16046624       7.70114212       2.12523540      -0.27959744      -0.51086039      -0.53112212
Cl      10.41367444      10.87086660       0.49236843       0.46759130      -0.77558027      -0.09374535
Cl       9.05327184      10.25637951       4.33177662      -0.07735388       0.44644757       0.44267687
Cl       4.00267063       6.11573939       2.48467528      -0.19814658      -0.08942650      -0.31049435
Cl       7.20085380       5.59295987       0.56648125      -0.51813022       2.07496371       0.47887298
Cl       4.19257171       9.42483424       1.34879851       1.36012230      -0.29805850       0.69503522
Cl       0.54928250       4.91864335       6.84071900       0.70394483       0.14006391       0.37615042
Cl       3.69818470       0.72582345       4.31495511       0.97221647       0.05869004       0.23029940
Cl       1.73757951       7.86730558       0.07670400      -0.71830266       0.09861212      -0.24972460
Cl       6.71604126       3.65838666       9.02478006       0.75278098       0.04158435      -1.01961015
Cl       0.89455370       9.64450664       2.96551683       1.28556406      -0.36967468       0.88547188
Cl       3.18244265       3.80171698       4.85122493      -0.91333968       0.97326239       0.72751737
Cl       2.03595454       9.34784135       6.99053525      -0.59860429      -1.20639107       0.22451122
Cl       5.44154420       2.58433585       0.39685312      -0.69485064       0.48367473       2.12763208
Cl       3.26918650       3.18542088       8.90135980      -0.00798027      -0.35274162      -0.54007635
K        2.41727892      10.86629998       0.05590654      -0.47332615       0.73412508      -0.51462729
K        0.61932617       6.63653342       4.00034319       0.22689118       0.02926282      -0.01657188
K        2.33652463       4.97130295      11.01353509      -0.57208780      -0.20229856       0.58124355
K        6.51341098       8.59691800      10.45560137      -0.34541598       0.08058459      -0.12790599
K        1.84411208       1.06363471       6.52626151      -0.07778245       0.66078667       0.29447737
K        6.70362092       0.26210784       2.40531083      -0.59342860      -0.23706215       0.03704711
K        6.13033274       5.29757411       6.85246648       0.20399566       0.81456125      -0.59802139
K       10.00817120       8.53060263       7.36236238       0.42072566      -0.46242380      -0.26833686
K        4.65696679       9.66892817       5.71249740       0.32527397      -0.29706753       1.50464203
Li       9.77166625       4.73724677       8.29387707       0.00083983       1.76671369      -2.19395655
Li       9.95161783       9.63461229       2.27784237      -0.32365129       0.33841244       0.42044712
Li       7.56505885       3.71695862       0.15551571       0.27149058      -2.21729463      -0.20273950
Li       1.26156932       3.16623884       3.74045358       0.58553790       0.61635737      -0.38659885
Li       8.38753705       8.10269645       4.71421509      -0.88035684       0.73141219      -0.54912987
Li       9.62737628       5.87263820       0.83598946      -0.40069162       0.20428693      -0.12943242
Li       5.14117265       1.79425422       9.48842507      -0.14329859      -0.62859988      -0.68756588
Li       9.61677597       1.25315304       6.30750463       0.42863065      -0.26613961      -0.79096878
Li       8.37476373       2.04879404       8.97453614       0.19032412       0.31380521      -0.67781692
Li       8.60770583       3.60965391       3.80060290       0.15454713       0.05472845       0.16782072
Li      10.77720663       1.18756569       2.60443342       0.35301999      -0.28934052      -0.08397358
Li       2.93424537       8.77533634       3.24506279       0.54163507       0.30875506      -0.97263415
Li       9.78770460       1.83184617       0.09335719       0.23170781      -0.09312777      -0.52096823
Li       2.38497059       8.17115173       9.01753302       0.43123132       0.24195066      -0.36667975
Li       7.86410673      10.93727021       7.75169491      -0.69469133      -0.44503739       0.10911944
Li       5.43260949       4.89101194      10.25359982      -0.53579324       0.02782136       0.28738213
Li       4.82271109       2.52436302       5.31608329       0.44070239      -0.73335011      -0.20494147
Li       4.31024509       3.84478005       2.75546302       0.02619286      -0.16045465      -0.02110582
Li       6.43203898       6.51474567       2.47821140      -0.48256636       0.31147139       0.61291252
Li       2.82847390       4.98181502       7.59453234      -0.60000005      -0.15425377      -0.16261351
Li      10.61763942       8.40202009      10.79366413      -0.02445569       0.06182586       0.41569925
60
Lattice="10.6612 0.0 0.0 0.0 10.6612 0.0 0.0 0.0 10.6612" Properties=species:S:1:pos:R:3:forces:R:3 energy=-469.34209267 stress="-0.04791355578617116 0.0030680882158582055 -0.004710308147070423 0.0030680882158582055 -0.05133793173746953 0.0002041397969199477 -0.004710308147070423 0.0002041397969199477 -0.04124538592817794" free_energy=-469.34209267 pbc="T T T" config_type=melt 
Cl       0.43634479       0.03665171       0.07822783      -0.57896827      -0.95814007       0.93460826
Cl       3.98201151       6.86873397       0.33954962       0.23662049      -0.19504300      -0.37473170
Cl       6.61759874       3.77790283       0.04454505      -1.15879688       0.93117391       0.58573472
Cl       8.22768515       9.15313062       8.87612066       0.43280163      -0.23268819      -0.21893875
Cl       4.07226923       7.01463249       4.46978273      -0.14596149       0.04536560       0.78685243
Cl       5.14545760       4.32445991       7.42551514       0.22380515      -0.49665834       0.13263494
Cl       6.14954008       9.36212212       5.36961999      -0.52700253      -0.42203559      -1.99990145
Cl       5.19742029       8.86918021       8.25873056      -0.77946925      -0.31436930      -0.06521288
Cl       3.82104871       1.39307768       8.67499712       0.31645270       0.24809087      -0.02749268
Cl       8.56757487       1.53462643       2.42624391      -0.36378682      -0.21250086      -0.60629469
Cl       7.72486031       1.65857355       8.41778501      -0.18084173      -0.42927163       0.00892430
Cl       8.46850033       5.46581600       2.94363195      -0.37575118      -0.63497332      -0.36832376
Cl       7.50113503       6.82906364       6.50067736      -1.12986996       0.06869720      -0.60272996
Cl       8.54681751       3.78381980       5.76358332       1.00662111      -1.47145607       0.16848558
Cl       9.89773015       5.77963908       8.68402715       0.08565830       0.55039607      -0.47388696
Cl      10.04190155       3.52512578      10.54398011      -0.19962411      -0.74518956       1.15320053
Cl       8.03778785       8.28867787       1.14329643      -0.39709061       0.26449380       0.24700148
Cl       9.38214385      10.65023570       5.49165875      -0.63492065       0.07156774      -1.59356960
Cl       5.46983527       0.31821443       2.50912408       1.13482695      -0.60632050      -0.75615086
Cl       5.40386377       3.86204102       3.72450088       0.21617810      -0.49727739       0.15896956
Cl       2.60429661       2.12578997       1.37959126       1.38708595       0.62794064       0.50679864
Cl       2.00139509       9.23391053       5.95825683       0.47721414      -0.09488311       0.20384794
Cl       2.90282087       1.59308179       4.87774421       0.37802220      -0.21556880      -0.05788420
Cl       0.89997053       6.42975906       1.68225207       0.43645108       0.83339261      -1.27060962
Cl       0.34847198       3.11478685       3.61524490      -0.01544004       0.41172413      -0.05135149
Cl       2.85189232       9.13039028       2.58615125       0.74028260      -0.09334782       0.01991488
Cl       0.37827857       6.53840735       4.79369131      -0.17823828      -0.33005258      -0.25926475
Cl       1.55505329       8.25777106       9.27425251      -1.64135945       0.47164961       1.06766430
Cl       2.69305110       6.09817442       7.41824420      -0.00051536      -2.31258067      -1.34779452
Cl       0.68829880       2.40340762       7.62814191      -0.92507698       1.45678150       0.32303518
K        3.90618905       9.87687684      10.60851235       0.16100799       0.38570494      -0.08403104
K        6.64059495       6.67894329       9.37939326       0.14599475      -0.45515967       0.34161108
K        1.18591990       0.39979074       3.25653817      -1.83348811       0.03306172       0.02771552
K        2.67039605       4.32213577       4.55911292       0.24879482       0.56856798       0.43703456
K        5.72388101       6.42891682       2.47613833       1.04800855      -0.20366159      -0.97692929
K        8.75636340       7.92907560       3.81022759       0.01822509       1.40417645       0.89723623
K        5.45550662       1.30533601       5.47075214       1.32239417       1.50980858       0.89083370
K       10.47082295      10.51332916       7.87355207       0.86855179      -0.72450719       1.10246892
K        2.17439438       4.59338868      10.13811888       0.18396541       0.38503714      -0.38354028
Li       2.51791957       1.94380329       6.93196555       0.82351903      -0.39084088       0.40564088
Li       9.11953717       5.56112713       6.68789869       0.83856033       0.28007113      -0.07700427
Li       3.21540726       7.73812285       8.29995742       1.25184135       1.35414428       0.93291905
Li       7.57424954      10.56184828       1.41116974      -0.13236918      -0.95204165      -0.02834848
Li       7.64393114       9.74491250       6.65197045       1.18679536       0.03798573       1.68255397
Li       1.04289671       1.98427321       0.14417994      -1.09066462       0.44437694      -1.02928719
Li       9.31215307       3.66929719       2.31441859      -0.21706315      -0.72221562      -1.17430255
Li       0.08430440       5.26454320       3.12800674      -0.82629014      -0.46740622       0.43232136
Li       9.19741724       2.10741007       4.46497453       0.08247494      -0.42199504       0.64936718
Li       7.93763654       2.22549352       0.14925787       1.30555246      -0.27326699      -0.26647242
Li       4.37395986       8.59090157       6.28905254      -1.12887909       0.43485167      -0.14196519
Li       4.45809805       9.84612994       3.98759797      -0.76583170      -0.51398064       0.03788908
Li       6.71131069       4.53440026       5.98736190      -0.83636614       0.46735300      -0.55593073
Li       4.96050710       6.28081143       6.28502261       0.13838363      -0.46884087       0.76054069
Li       0.85371371       6.94174187       6.68247214       0.39328401       1.04848197       1.87992316
Li       1.58318820       8.81956299       0.97680047      -0.92330516      -0.65416295      -1.26653423
Li       5.79785907       2.57995709       9.03224327      -0.51155153       0.16654718      -0.40168899
Li       2.15805077       7.25267576       3.42011296      -0.44304827       0.08210498       0.10911050
Li       4.61699258       2.14657931       2.14888213       0.02929268       1.51728557       0.08961331
Li       9.16093461       3.32665688       8.28911498       0.65028281       0.19848227      -0.00458126
Li       9.72079687       7.54411033      10.36606600       0.17262115       0.21112089      -0.50969814
60
Lattice="10.6084 0.0 0.0 0.0 10.6084 0.0 0.0 0.0 10.6084" Properties=species:S:1:pos:R:3:forces:R:3 energy=-469.7077189 stress="-0.03445183523052442 0.000899490437752367 0.0030800699410630174 0.000899490437752367 -0.04941489606836735 0.006638104527258373 0.0030800699410630174 0.006638104527258373 -0.0465335651838267" free_energy=-469.7077189 pbc="T T T" config_type=melt 
Cl       2.79130342       2.10718893       0.42933786       0.67525261      -0.11095315       0.34337416
Cl       9.31578768       0.65459769       5.29047273       0.05717101       0.23224401      -0.62282577
Cl       4.72418573       1.03103464       8.29080407       0.20979769      -0.01304513      -0.70534785
Cl       9.68569198       3.77360944       6.29579897      -0.40654546      -0.22938660      -0.04755952
Cl       6.57098087       3.86894713       0.02156550      -0.17939050       0.82678031      -0.22171459
Cl       3.37220880       5.84061375       4.35371919      -0.69106118       0.93724910      -0.38645672
Cl       5.12401633       3.97199713       7.35251231      -0.09274448       1.03864331       0.03868228
Cl       7.37668885       9.06400791       9.02935027      -0.47252834      -0.74104117      -0.97573283
Cl       4.40650658       7.15702071       0.78035390      -0.88797487       0.18422228      -1.21700839
Cl       3.41807952       9.62093830       2.48027575      -0.01636424      -0.12314622      -1.93918133
Cl       6.17712280       9.86987502       4.44263879       0.51698734      -0.41512434       1.34748767
Cl       4.26524513       8.32655438       7.35914256       0.66035413       0.38056282      -0.24996057
Cl      10.26229034       3.30889787       0.18784082       1.27548724       0.23046342      -1.90541214
Cl       8.87337496       5.37790716       2.29417258      -0.86060493       1.51595614       0.87543109
Cl       9.89724469       0.14980440      10.35152502       0.03090328      -0.47609669       0.56075332
Cl       8.77482293       2.08054062       2.22500582      -1.72404868      -1.67472763       0.54152643
Cl       5.82727899       3.60520109       3.38669987      -0.10626597      -1.14976341       0.37166614
Cl       3.25114574       1.52336624       4.09691104       0.06374871       0.63874905       0.91175593
Cl       8.04578185       1.96067631       8.36638892       0.41126955      -0.49223442      -0.57962922
Cl       6.37766400       0.68990669       0.57316655      -1.31533381       0.32648455       1.05384615
Cl       1.56076085       1.60307776       7.81226975      -0.20727775      -0.40673878      -2.00604338
Cl       0.98014827       3.60664383       3.60036366      -0.34159131      -0.30425785      -0.03832143
Cl       7.11980644       6.33520918       5.66073772      -0.24634902       0.28969728       0.02573651
Cl       2.04454632       4.82451998       8.76918987       0.64915990       0.07630303       0.43015459
Cl       7.74998784       8.58736189       1.91141090      -0.62239620      -0.69867610       0.10016240
Cl       0.00724501       6.70550599       6.44526072       0.46561753       0.85270586      -1.54294669
Cl       1.86040572       9.05224320       5.38909903      -0.03347529       0.50443504      -0.20534513
Cl       9.03844167       5.86296564       9.09583311      -1.58878081      -0.15296617       0.66360241
Cl       0.80003567       7.43345440       2.32860745      -0.37890800       0.24220294       0.02249364
Cl       1.41803544       8.77129033       9.05494834       0.86209353      -0.88407482       0.87620142
K        5.87574877       1.86325938       5.77983822       0.62865947      -0.26836935      -0.44786207
K        5.98180094       6.15450569       2.62289507       1.06950397       0.41482634       0.68011904
K        2.34118901       3.74707783       6.13391479      -0.14412811       0.35278249      -0.63286885
K        5.81245905       6.55043240       8.77096147       0.20065332      -0.81617371       0.10333021
K        2.30974572       5.10958890       1.53327449       0.16279126      -0.55311844      -0.55571534
K        0.55102894       0.61969181       2.54342755       0.49589129      -0.16098898      -0.01013424
K        9.91544870       9.75298106       7.55913211      -0.07891783      -0.23290304       0.15480096
K        4.05228150       9.87936954      10.15825376      -0.44559324      -0.67372754      -0.18517039
K        9.24240937       8.55761594       4.13685166       0.43919315      -0.56365261       0.97406194
Li       9.98719331       3.75190465       2.17541155       0.83127305      -0.30433240      -0.53313137
Li      10.27441574       3.50563065       8.62973184      -0.30198424      -0.00169486      -0.47381373
Li       7.66873810       4.01148159       7.76159343       0.00537146       0.86048360      -0.27306515
Li       0.29300401       5.84849579       8.26533330       0.22550657       0.68401426       0.32176439
Li      10.07283493       5.01624559       4.37076688      -0.03482481       1.25035471       0.55930828
Li       7.65156310       9.82265703       0.34262904       1.81543957      -0.08480039      -0.78755962
Li       5.09748472       5.18935346       5.26812083       1.35622901      -0.34697485       0.58946057
Li       8.31651883       1.77152854      10.57778437       1.12236632       0.73235844       0.49381827
Li       6.22233580       9.21143285       6.70162332       0.02055079      -0.36628722       0.23919764
Li       4.05333173      10.16009962       4.30587530      -0.41273524      -0.22397098       1.58842714
Li       6.26813227       1.99178014       9.58084916      -0.73062606       0.59856541      -1.62617489
Li       5.80510743      10.44178977       2.50051657      -0.02407041      -0.25079648      -0.55388913
Li       5.39279075       2.50156680       1.20104061      -0.78919143       0.92282462       1.11113369
Li       2.40208123       7.28453368       7.22962460      -0.91432872       0.22827061      -0.06962263
Li       2.55215826       7.93008664       3.58734715      -0.10196776      -0.64960999       0.59735648
Li       2.23157242       8.29969391       0.99565987      -0.01759324      -0.09051617      -0.96410600
Li       3.23898851       2.70447367       8.85399342       0.52083681       0.29612643       0.13909469
Li       0.98797408       1.63117941       9.67797967      -0.83977594      -0.40279737       2.55007523
Li       2.00530585       0.59743326       5.74419400      -0.29653963       0.08676235       0.22011061
Li       8.93655859       2.84926772       4.12375029      -0.18726587      -0.40354583       1.45447117
Li       8.05843768       7.31379165       0.07850216       0.71907485      -0.43757572      -0.18280547
60
Lattice="9.94129 0.0 0.0 0.0 9.94129 0.0 0.0 0.0 9.94129" Properties=species:S:1:pos:R:3:forces:R:3 energy=-462.73289253 stress="-0.10425338265552603 0.006490820091237723 0.0028148087554467956 0.006490820091237723 -0.11082327565817394 -0.001969612768674848 0.0028148087554467956 -0.001969612768674848 -0.10977709103143593" free_energy=-462.73289253 pbc="T T T" config_type=melt 
Cl       3.64355237       2.39714326       1.64679457       0.27039575       0.24611160      -1.63736274
Cl       4.11579347       1.16187833       8.56015652       0.69760248       0.15520451      -0.67189146
Cl       3.65520357       5.96624531       1.10839419       0.54026496      -0.60979220       0.49785878
Cl       5.04922096       3.91111225       4.01012750       0.15433332       0.01455207      -1.79507924
Cl       6.53213336       6.49916804       5.10461382       1.03648602      -0.98664140       1.18981560
Cl       5.42001119       3.99602081       9.32577503      -0.49263743       0.55128302       0.40942418
Cl       3.24263009       9.04067872       1.66910283       0.65461305       0.94479163      -0.20251105
Cl       5.59461007       9.03291457       3.50190887      -0.23679018      -0.28872729      -0.51622307
Cl       3.89023554       1.37538741       4.84609058       0.86308798      -0.98376413       0.47873673
Cl       6.59522079       8.93234848       6.94723193      -1.38925277      -0.06754751       0.14556699
Cl       9.12346978       3.79814937       6.64227291       0.12509214      -0.36321617      -1.12556644
Cl       7.96838135       1.37200737       8.06429492       0.11561718      -0.66540721       0.46460174
Cl       6.90167099       6.01984875       1.86757074       0.14476941       1.00257894      -1.95958516
Cl       7.73411485       6.38993315       8.44542409      -0.85278945      -0.00940791      -0.83430878
Cl       8.96731199       3.76768926       9.81662622      -0.95770951       0.33719496       0.03109173
Cl       8.02862557       9.01014901       0.54623810       0.22298791      -0.45456919      -0.29527488
Cl       8.85838528       9.53862799       4.48615623       0.53783087      -0.95160680      -0.18846420
Cl       8.57508834       3.72728786       3.81047657       0.24117071       0.08408568      -1.35700203
Cl       5.95425612       3.24118860       6.50815497      -0.40250520      -0.58778911       0.30233686
Cl       3.98727248       6.33410286       7.26962796       0.20440943      -0.42226154      -0.53549062
Cl       1.98122951       4.73440018       4.02131145      -1.17606403       0.49709394       0.70626298
Cl       6.75654804       1.97661675       1.45938137       0.06336336      -0.64413521       0.61735344
Cl       0.92876701       1.23136794       9.92097935      -0.44550262      -0.39099096      -0.02404737
Cl       2.21743456       8.38783420       8.75219242      -0.46467612       0.39364270      -0.25469754
Cl       1.06406598       1.67592255       3.07472170      -0.02767470      -0.48481223      -0.36372450
Cl       1.06302214       1.07129329       6.55295042       0.13847717      -0.17938905      -0.00311736
Cl       2.05475529       8.17539877       4.13602400      -0.38706781       1.78838473      -0.07222218
Cl       0.63161390       6.31922075       1.27017874      -1.05735275       2.51061485       0.14525831
Cl       1.69572560       4.06248828       8.57385562      -0.03593264       1.60864697       0.18913236
Cl       0.78243917       6.65579307       6.92895983      -0.74686722      -0.64901370       0.41221880
K        9.11997044       6.57375754       4.08912099       0.84659683      -0.26581371      -0.08418685
K        1.08554910       3.89585237       1.48441354       0.78700979      -1.51636090       0.57225019
K        7.05827613       1.49785416       4.56389712      -0.82499447       1.34839381       0.34976818
K        5.43714997       7.96422589       9.61195494      -0.18826714       0.01850626      -0.09596205
K        3.53577885       9.05374157       6.44298981       0.31788147      -0.42789667       0.22841066
K        9.35107561       8.81931601       7.47099873      -0.24361005       0.81356905       0.60079229
K        4.16971503       6.42528438       3.97446809      -0.19417259       0.88199766      -0.58710604
K        2.80420926       3.25046383       6.31012447       0.94876734       1.41643700       0.43210353
K        0.39378742       9.15263752       2.09114041       0.05678324      -0.31762583      -0.44041640
Li       2.37586890       7.46107732       0.60800532      -0.71705288      -0.13317022       0.24105427
Li       5.73232676       0.89368718       7.31234568       1.08637216       1.05523432      -0.16447164
Li       6.93659475       8.51168279       4.90878035       0.80134964       0.08717779       0.60898314
Li       8.66443071       6.58207840       0.33322210      -0.22531253       0.21639491       0.81748603
Li       6.97848734       9.91227137       2.16945789       0.33880175      -0.13821383      -0.12864505
Li       1.69379699       6.65223409       5.26118914       0.77361785      -1.93312800      -0.28422899
Li       7.19757349       3.37147915       8.23179571       0.84382212      -0.01476893      -0.17423801
Li       9.51777116       5.26221309       7.96203881       0.32297177       0.22468677       0.73906232
Li       1.95870254       0.60030678       4.62477758      -0.50996545      -1.36010040       0.03290132
Li       5.09764498       4.48145400       1.65601015      -0.55968977      -0.77893983       0.32017082
Li       6.83490529       5.03923990       3.54012319       0.13461075      -1.47587315       1.90574514
Li       2.59690354       2.43913527       9.26377120       0.90225238      -0.46344989       1.07892124
Li       0.13082738       2.54745556       8.15776293      -0.57858519      -0.55839975      -0.19122816
Li       2.82533450       0.23092324       9.78467492      -0.39607940      -1.01053912       0.98997988
Li       0.39138859       2.46066810       4.80255767      -1.56016640       1.22674412       1.23295665
Li       5.94964336       5.31847085       7.22677106       0.21913077       0.42321521      -0.23641349
Li       4.27127525       0.63762440       2.93669683      -0.24713078       0.14707461      -1.25166237
Li       8.70128307       1.32443830       0.29320741      -0.72483055       0.20651806      -0.17739503
Li       3.43488470       5.18206641       9.07994681       0.50650706       0.20948258      -0.37268334
Li       7.09138063       3.96671389       0.76617323       0.40263838       0.38575162       0.36003349
Li       2.97572634       2.88650326       3.54724116       0.34306460       0.33798248      -0.07507163
60
Lattice="10.6224 0.0 0.0 0.0 10.6224 0.0 0.0 0.0 10.6224" Properties=species:S:1:pos:R:3:forces:R:3 energy=-470.51882688 stress="-0.04095538183376793 -0.0028577474421726382 -0.000691030118419264 -0.0028577474421726382 -0.046993973730814285 0.005342889035370951 -0.000691030118419264 0.005342889035370951 -0.04018007775438387" free_energy=-470.51882688 pbc="T T T" config_type=melt 
Cl       3.05700987       1.90882404       0.66709309       0.90314333       0.02314060       0.25601513
Cl       7.46184297       9.30174888       8.48705328      -0.19384509      -0.18876857      -0.65272343
Cl       5.23660951       3.98496149       7.51665456      -1.35688954      -0.57463952       0.56167400
Cl       3.65245913       6.81081732       4.63589154       0.97174658       0.69600724       0.05985214
Cl       4.90879162       4.10082001       3.69491686       1.09096874      -0.96959281      -1.01860123
Cl       3.81027612       6.84743273      10.56225586      -0.67752143      -1.05285833       0.42733021
Cl       6.28846080       4.14165252       0.82276437      -1.68135357       0.58905817      -1.20604839
Cl       3.80428509       8.34868590       7.40305861       1.16092535       0.36893314      -0.26964212
Cl       4.73267223       0.78583241       8.05593256       0.99575966      -0.76847611       0.04910828
Cl       7.86272172       2.02171890       3.08897268      -0.24466635       0.16125467      -1.13609179
Cl       3.56271047       1.44382848       5.08607948       0.73252852       0.76586572       0.17560638
Cl      10.03108286       0.48975531       5.18394365      -0.53938419       0.11025541      -0.09052499
Cl       7.82290897       2.58671374       8.70975190       0.50453678      -0.73639079       0.06914957
Cl       6.42044412       0.71836636       0.45556181      -2.17324501       1.99903208       0.16425105
Cl       6.44351597       9.28877892       4.54062986      -0.58471208       0.47304146      -0.03994301
Cl       0.95289939       8.56741174       9.34839183       0.32584815      -0.52129400      -1.18837956
Cl       2.02789052       9.53243554       5.01680018      -0.78666114      -1.10951211       0.69382911
Cl       7.98446505       5.70942315       3.59977202       0.70410462      -0.13748625      -0.61947738
Cl       9.64886766       3.72606174       5.87040563      -0.28150438      -0.32030798       0.50233957
Cl       7.04863161       6.02370810       6.46588675       1.40821678       1.88875851       0.61121388
Cl       1.56757944       4.83369125       8.01624727       0.73532233       0.33525475      -0.15900714
Cl       0.51647171       6.81628786       5.45030033      -0.16562378       0.37493324      -0.62210694
Cl       9.44575675       5.73256936       9.00879371      -1.07928113       0.90084225       0.05582271
Cl       0.82906345       7.36752668       2.13669576      -0.21609077      -0.72864556      -0.15736430
Cl       1.50032902       1.88419069       8.53995284      -0.48777050      -0.68822517       0.03969234
Cl       7.12738608       7.96070274       0.79327233       1.12004821       0.94217054       0.42956004
Cl       0.96877881       3.36470893       3.33079161      -0.00926057       0.08207029      -1.52726541
Cl       9.93208209       9.92704707       0.82095537      -0.39839379       1.24315708       0.39006788
Cl       9.80157528       3.42990923       0.75064995       0.20553631      -0.36892050      -0.68339201
Cl       4.01483168       9.37420427       1.93747265      -0.45287320       0.21804325       1.16560715
K        4.51061096       9.36394303       9.86923997       0.31417309       0.55124879      -0.24897722
K        8.99189347       8.46168699       3.64672303       0.75625476       0.33130841       0.06954458
K        9.97801335       0.04875682       8.12923774      -0.22837841      -0.16897149      -0.28453073
K        6.33278808       6.42748677       9.29572597       0.03950085      -0.54797790      -0.73169597
K        5.53501397       6.71042502       2.48236990      -0.70750815      -0.51452538       0.52927646
K        1.79817049       0.45173031       2.93945177      -0.83100292       0.88177437      -0.49752867
K        7.06201584       1.82623488       5.66641306      -0.50652208      -0.46875052       0.75883284
K        2.66535136       4.36921619       4.97711490      -0.71949062      -0.17281024       2.09259883
K        1.99109452       4.61260724       0.54822206      -0.07837879       0.57293279      -0.02008330
Li       6.07258176       8.67122446       6.77931128      -0.01245547      -0.30433295      -0.09473105
Li       0.87177718       1.65162386       0.41160100      -0.71305481      -0.18616039      -0.46055637
Li       9.92935213       7.40997379       0.01538793      -0.02445190       0.45513324      -0.03917665
Li       7.67065811       9.98756289      10.57552186       2.24169638      -1.93542795      -0.61799205
Li       2.66021012       0.37382138       6.84446908      -0.34474233      -1.01110089      -0.23389478
Li      10.01324785       3.69157080       8.90108257       0.72736551      -0.78774907       0.30745025
Li      10.27955142       5.55739536       6.79517052       0.05899700       0.17870618       1.05447902
Li       1.98790780       8.29074071       0.53057295       0.55112439      -0.22468073       0.12630535
Li       8.15140669       4.26109078       7.38752866      -0.69360889       0.81925088      -0.07356255
Li      10.15004312       5.21160438       4.00529277       0.26192894       0.27497387       0.13479885
Li       2.63607603       8.10920389       3.28478600      -0.75259839      -0.33965000       0.15279800
Li       2.23264790       6.94391599       7.31783509      -0.74933355      -0.24723869      -0.03295701
Li       8.01029873       4.27862836       1.94606617       0.86422609      -0.03253679       0.99295254
Li       7.54100110       2.54397982       0.38421221       1.39885412      -0.48831478      -0.16081900
Li       4.93350995       2.54839874       1.94100991       0.09071422       0.20256450       0.36636988
Li       3.50326752       2.28319990       7.63107905      -0.71322587       2.06186331      -0.81496130
Li       9.83390987       2.54130298       4.02229923      -0.66829624      -1.23764012       0.34663245
Li       5.26995322       2.58075457       9.30471252       0.54978961       0.00782963       0.32646426
Li       4.08233703       9.42024175       4.61411562       0.96046478       0.01344477       0.41837579
Li       6.14071384      10.21496723       2.20078070       0.18959267      -0.68314795       1.15019379
Li       5.63349424       4.89671395       5.59572098      -0.79124284      -0.00671563      -0.79615797
60
Lattice="10.79 0.0 0.0 0.0 10.79 0.0 0.0 0.0 10.79" Properties=species:S:1:pos:R:3:forces:R:3 energy=-470.12146884 stress="-0.03407919138324254 -0.0063980363506250465 -0.003247640667357815 -0.0063980363506250465 -0.03632631681452133 -0.008594045557302393 -0.003247640667357815 -0.008594045557302393 -0.04675274136293277" free_energy=-470.12146884 pbc="T T T" config_type=melt 
Cl       1.96545245       2.63907215       2.75570126      -1.32231375      -1.48271813      -0.04167565
Cl       6.65695524       2.51056325       3.74632037       0.70078246      -0.21868650      -0.84226092
Cl       4.35455267       0.16859915       8.02442589      -0.95392828       0.06170951       1.02162386
Cl       7.63682751       7.93552708       7.16021163       1.08446131       0.47315791       0.58703073
Cl       6.27302546       6.45274370       4.27798683       0.13500782      -0.26032685      -0.62234781
Cl       6.51007097       3.98551309       6.60039406      -1.11975192       0.27556056      -0.45403400
Cl       4.39652577       7.20385718       7.91843572      -0.22185664       0.36158148       0.19737282
Cl       4.87915168       4.03812513       9.36805064      -0.45371542       0.38424894       1.17203294
Cl       3.79633202       7.90545535       0.84331943      -0.50986432      -0.11172473      -1.47434998
Cl       4.67305189       0.69767385       1.69028587       0.92760642      -1.63828791      -0.65380298
Cl       4.27687546       9.34897392       4.57970760      -0.83331647      -0.21777221      -0.24511172
Cl       8.79838180       1.51038420       6.10422670      -1.06391316      -0.60727636      -1.10789075
Cl       7.89592778       1.76366866       9.74438426       0.12650249      -0.72710303      -0.05665991
Cl       8.48091842       4.88815054       1.01810232      -0.82759726       0.01512980       1.10202872
Cl       9.69377916       4.44992548       4.18974621       0.62350123      -0.95573566       0.22334736
Cl      10.16063009       6.61191778       9.77306408      -0.12026752       1.67099697       0.38509966
Cl       8.79122803       4.53277110       8.56128234      -1.01944488      -0.54935918      -1.52759575
Cl       8.92850920       8.25924866       1.43599794      -1.43425598      -0.40585088       0.13257247
Cl       8.37697835      10.38944283       4.19059862      -0.95863141      -2.94547969      -1.47500991
Cl       9.55107062       1.78780589       1.79136659       0.63782112      -0.24069440      -1.15306694
Cl       0.88328019       9.95658040       9.83902335       0.87124898      -0.07392293       0.34085796
Cl       4.48886659       4.06234868       2.26912621      -0.08302391       1.24267769      -1.50267901
Cl       1.20814551       3.61379759      10.21081438      -0.42605565      -0.15848997      -0.44258662
Cl       0.87035701       5.84371294       1.82822523       0.24718447       0.19273718      -0.30747043
Cl       1.20579329       9.34617931       2.59187669      -0.32089872      -0.33206037       0.22950070
Cl       2.64796311       5.88530839       4.36034690       1.14246853       1.14847521       0.73450126
Cl       0.49114569       9.81468111       6.28388020       0.55351484      -1.52029830      -0.02308769
Cl       3.67554876       2.15443930       5.20026208      -0.52183002      -0.07793517       0.08760812
Cl       0.73017656       6.27871179       6.82961682       0.15579557       0.49161364      -0.64923513
Cl       0.69327908       2.55130629       7.06570202       0.71611468       0.20966472       0.18454114
K        3.50037311       1.70529476      10.38396151      -0.84714117       0.32845586      -1.14668935
K        5.87838121       8.90938932       2.10007928       1.39997071      -0.06074236       1.12512733
K        3.31282133       4.28352210       6.93433377      -0.04359459       0.59222403       0.34635713
K        6.86928086       6.46584276       9.97708140      -0.21475025       0.25636777      -0.31995740
K        9.31485594      10.04951467       8.31791389      -0.57029639       0.41750318       0.22974011
K        5.78195098       0.53714346       5.85228020       1.71826769      -0.02310106      -0.40295536
K        0.14827186       0.70452550       4.26682997       0.90663829       0.95439788      -0.27622801
K        9.79557202       7.13918192       4.39903984      -0.46312966       1.09838621      -0.28973308
K        2.02103174       6.42254249       9.51549599       1.19955371       0.24711814       0.22709394
Li      10.50803572       3.89706746       2.19344515      -0.59227983      -0.14193861      -0.55374051
Li       9.57655660       7.07772208       7.66040366       0.18339306      -0.41745323       0.21208701
Li       1.86181450       0.49069359       7.06191473       0.62439104       0.44826292       0.46531918
Li       9.39035357       3.64885430      10.39018734       0.50122440      -0.96707598       0.16582192
Li       8.94326992      10.31732247       1.67677679       0.18487642       0.95497288       0.48388497
Li       9.26564275       2.43312342       7.68424956       0.67896549       1.36771854       2.42442920
Li       2.06254087       8.47285829       4.62865104       0.41747190      -0.12277414       0.31380989
Li       3.05733571       6.44283848       2.20271376       0.09035488      -0.21010646       0.65683268
Li       8.07104948       3.46032063       5.24855812      -0.11077042       0.21750725       0.12564660
Li       8.70605177       1.50835568       3.61474711      -1.16284184       1.15869830       0.71638825
Li       1.36741670       4.33496882       3.97596394      -0.84329129      -0.22462737       0.48486999
Li       5.88960281       7.50957025       6.16568654      -1.18217622      -0.25267851      -0.58325455
Li       5.14084155       4.03322647       4.36912996       0.34677281       0.94843808       0.88297215
Li       0.05602330       4.79940279       8.15055020       0.36962690      -0.88265291       0.40597762
Li       0.06057290       8.26150377       0.63234795       0.92675676      -0.06685859      -0.48825175
Li       6.69398652       3.25703703       8.62641078       0.37395320      -0.16512728      -0.10848922
Li       2.85376078      10.75675601       2.64243863       0.13943018      -0.19412286       0.29008543
Li       4.52245586       1.99236271       3.16926038      -0.19374632       0.99342039       0.98564101
Li       6.57633236       3.72318661       1.47327739       0.35016583      -0.18223898       0.14054185
Li       2.29988850       4.05382458       1.26710207       0.27726621       0.58182324      -0.42223747
Li       3.71501858       9.20893051       9.11723709      -0.19640611      -0.65762762       0.08965792
60
Lattice="10.7008 0.0 0.0 0.0 10.7008 0.0 0.0 0.0 10.7008" Properties=species:S:1:pos:R:3:forces:R:3 energy=-469.96527059 stress="-0.03372874867130255 0.004130719294041018 -0.0031828306466322896 0.004130719294041018 -0.04119251024711995 -0.002580685154384198 -0.0031828306466322896 -0.002580685154384198 -0.03572047008239555" free_energy=-469.96527059 pbc="T T T" config_type=melt 
Cl       0.60053746       0.06969624       1.01626889       0.45067139       1.09131904      -0.07495465
Cl       4.01826811       2.26500623       8.82336604      -0.09067017      -0.18580497      -0.54116136
Cl       3.53541591       4.21204890       0.67195567       0.17989797      -0.93719258       0.23605592
Cl       7.07500513       6.66868506       4.56728335      -0.44044705       0.16557548       0.38742020
Cl       5.90827551       4.56686602       7.00036705      -0.04070513      -0.41197509       0.76907487
Cl       4.08840115       7.10058004       0.02656377      -0.30351250       0.74147233      -0.22720212
Cl       4.88940954       8.73928986       4.51164989      -1.34534419       0.99761735      -0.55048238
Cl       5.10582252       9.88228511       8.45105311      -1.73076123       0.57666818      -1.38472005
Cl       8.99341245       1.72818990       2.38029665      -0.28973304      -0.57567375       0.02826224
Cl       8.59040963       2.40614979       6.43360988       0.44177452       0.09416524      -1.55134361
Cl       8.00469064       1.95664128       9.37787080      -1.02396879      -0.46949593       0.72900627
Cl       7.27004861       4.74290488       1.01120634      -0.63229465       0.57356678      -0.75161476
Cl       9.25647022       4.94882038       4.04360760       0.89378160      -1.02168180       0.33454828
Cl      10.22832758       3.97257569      10.63160863       0.67379183       0.94847337       0.42308755
Cl       9.18280591       5.44718874       8.09896468       0.44672720       0.02530999      -1.21123252
Cl       8.54752082       8.80493926       1.20502779      -1.11847400      -0.30706042       0.05376209
Cl       8.01912602       9.81842273       4.58378399      -0.32168411       1.30047704      -0.04580619
Cl       8.27456481       8.13291832       7.46993956      -0.61235074       0.32659329      -0.56355316
Cl       3.58808525       1.66395300       5.15079798       0.50946139      -3.12014754      -0.72729265
Cl       6.30986583       3.25073183       3.81915832      -0.50837014      -0.45767445       0.44088402
Cl       3.74313984       6.67127465       7.04771809      -0.02941873       0.22852364      -0.76008171
Cl       5.60586020       1.13267968       1.12041656      -0.25826481      -1.11363281       0.17893857
Cl       0.72550782       8.13488727       9.35107599       0.33701235      -0.23940313      -0.31039630
Cl       1.14959764       9.54602317       6.28849633       0.68571649      -0.63360131       0.45405889
Cl       1.41193846       3.04378906       3.57103887      -0.66084267      -0.38591316       0.06492423
Cl       1.85545452       8.49499059       3.19032581       0.36501576       1.19506045      -0.02347663
Cl       0.56689307       2.10866755       8.38133740       1.22000799      -0.03655876      -0.69404967
Cl       0.49052467       6.21094764       1.65007406       0.34430331       0.35825739      -0.14093490
Cl       3.49461376       5.30603448       3.49603697       0.64042955       1.18402899       0.78057891
Cl       1.03093754       5.86935670       5.59386460       0.32072793       0.65831899       0.96457071
K        0.35805091       0.37719464       4.18599245      -0.32961022       0.57440553      -0.84986111
K        9.68969211       7.61674383       4.04982477       0.38463563       0.71644297      -0.60229078
K        3.13002680       3.76671370       6.33030436      -0.62950104       1.84446343       0.93309830
K        6.50935014       8.26455956       9.71949384       2.00345117      -1.16970784       1.13128307
K        9.61867090      10.51557985       7.86895099      -0.00493690       0.36930371       0.41904554
K        2.01244595       4.99527255       9.17518694      -0.49658332       0.14001470      -0.14240304
K        3.30515610      10.49620070       0.01445261      -0.41221218       0.21961344      -0.12521327
K        6.11474744       0.88647567       6.36890214      -0.02584079       0.27618673       0.52121847
K        5.57923661       7.00325627       2.29365228       0.91405714      -0.14747875      -0.23418005
Li       6.16292244       8.10035579       5.97554074       1.25234270      -0.04054320       1.32335277
Li       3.86219694       7.80650112       8.75674286      -0.59166482       1.04455809      -0.19147637
Li      10.65628467       8.80821371       0.68777038       0.29390985      -0.81877401      -0.26720906
Li       2.86602737       0.58733374       7.25494979      -0.16579822       0.18389924       0.15967631
Li       5.17277742       5.75873183       5.03852518      -0.72446952      -0.40066397       0.37196778
Li       8.77200220       5.81751132      10.18955858       0.47401150      -0.27840583       0.74719406
Li      10.64850519       7.41269028       6.78961480      -0.24224000       0.42266950       1.32934501
Li       7.28755512       4.65215140       5.40304794       1.11174709      -0.66353678      -0.09665216
Li      10.25537920       4.28652646       5.95890099      -0.59963367      -0.59184522       0.08333185
Li       8.20731028       3.68458506       2.79803448      -0.17106049      -0.00724395      -0.86611917
Li       2.75639767       7.02512870       1.83357138      -0.77812104      -0.77867434      -0.10679914
Li       1.31013105       3.80931359       1.51980252       0.07122539       0.03820852      -0.62378809
Li       9.37350487       3.37155456       8.37747441       0.07626788      -0.76101705       0.46704479
Li       1.12448287       5.21945431       3.53389640      -0.12551664      -0.11003494      -0.15153441
Li       2.72089242       7.56733824       5.01504763       0.13827198      -0.03253719       0.39584547
Li       7.89729741       1.43155302       4.35938821       0.37020803       0.34751817      -0.14192742
Li       5.51806013       3.19195233       1.55197983      -0.34251680       0.87075845       0.37944875
Li       9.91864643       1.98004393       0.07522855      -0.26288675      -1.55864281       0.13573527
Li       5.92771886       3.58506762       9.35623378       0.12764654      -0.37837662      -0.21931956
Li       3.80464804      10.51836206       3.90384445      -0.39953489       0.17863972      -0.20575854
Li       7.25413652      10.68782913       1.94023695       0.98187504      -0.05881159       0.14007465
60
Lattice="10.499 0.0 0.0 0.0 10.499 0.0 0.0 0.0 10.499" Properties=species:S:1:pos:R:3:forces:R:3 energy=-468.26520004 stress="-0.047533415630527216 0.003571200331922856 -0.0012747582466783177 0.003571200331922856 -0.049754049138600445 0.001740663534715336 -0.0012747582466783177 0.001740663534715336 -0.04710551887988204" free_energy=-468.26520004 pbc="T T T" config_type=melt 
Cl       0.90087824       0.43104274       0.22858003      -0.17914488      -2.63969654       0.85008700
Cl       3.63123664       1.82537714       5.05985656       0.97598365      -0.07642867       0.03839628
Cl       4.58266651       2.26544272       9.13777315      -0.73589522      -0.67404323      -0.11198526
Cl       6.51825166       3.27065898       3.04503547       0.21496190       0.07706743      -0.02157795
Cl       6.01908720       3.94731953       6.81454393      -0.33392259       0.76847901      -0.04331084
Cl       5.98229870       9.64058076       3.34864555      -0.10495810       0.00432184       1.90726570
Cl       3.88591088       7.09668356      10.11621696      -0.51009289       0.70223954       0.50997366
Cl       6.23260536       9.76627479       7.77955952      -0.51867456      -0.66199334      -0.80703708
Cl       3.78836467       2.52225876       2.24158900      -0.00740188      -0.61729700       0.60178412
Cl       9.36051994       3.15044543       0.38753699       1.30833669       0.08692344      -1.15755708
Cl       9.88051441       0.22461141       5.44511737       0.32885686      -0.14323729       1.42449562
Cl       8.29661427       1.69979860       8.12155395       1.50719398      -0.04193787      -0.65289651
Cl       8.85140243       5.37089994       2.52717229       0.38499042       0.68685055       0.77084982
Cl       7.26610592       7.08661502       5.76018186      -0.58882513      -0.58399781       0.58067051
Cl       8.92914752       3.68773175       5.33752362      -0.37570436       0.01903603       1.06062788
Cl       8.82182675       5.35850062       8.81490791      -0.13437767      -0.19768564      -0.16065203
Cl       7.78795872       7.91116448       0.74925589       0.42766073       1.09314677      -0.87959632
Cl       8.79821449       0.56409027       2.85132892       0.23093971       0.12816871      -0.97863143
Cl       6.61452748       0.89083595       0.53024255       0.07872270      -1.08311221       0.07661593
Cl       5.78355263       4.76573758      10.34265729       0.79946164      -0.44369237       0.95559984
Cl       2.07531633       4.39483940       9.35130181       0.40170996       0.65435142       0.66090374
Cl       0.46784174       7.29719346      10.01846077      -0.32146551       0.87141543      -0.21371200
Cl       2.32722934       9.57056293       5.95303799      -0.23404142       0.54225629      -0.75395548
Cl       0.78985447       7.95172212       3.19387979      -1.81640115      -0.00638676      -1.54838292
Cl       0.94366587       3.29694848       3.48964712       0.56398137      -0.10745080      -0.09263315
Cl       1.31009672       2.20238573       7.81821684       0.66510043      -1.77598948      -0.25505174
Cl       3.63737855       5.87313010       3.85680765       0.02289403      -0.36915455       0.19332790
Cl       0.49004607       6.06974487       6.18731268       0.03134252       0.41745985       0.55200393
Cl       3.24413851       9.21699861       2.18124074       1.09053377       0.15935232      -0.90162366
Cl       3.38249433       7.16905317       6.89382188       1.30494312      -1.42893484       0.70809466
K        1.44200615       0.33856440       3.22408542      -0.92268031       0.83800370       0.21265230
K        1.66712571       5.49617401       1.42327594      -0.30605020       0.32873694       0.81037173
K        2.98964274       4.04608362       6.44674297      -0.10227895       1.03488975      -0.17378698
K        3.02109775       9.53035176       8.67906134       0.56690077       0.47708228       0.58622555
K        6.32862922       6.91064128       8.66868833       0.58331264       0.92250716      -0.57522089
K        9.74317699       9.50302286       8.33079902      -0.24089296      -0.09713809      -0.57996391
K        6.59077875       1.32735707       5.26930111       0.83468411       0.45190753       0.46431875
K        5.54780809       7.05881367       2.14666754      -0.43022248      -0.34218431      -0.33722268
K        8.45571612       8.19065836       3.66263914       1.06310191       0.27566555      -0.63471871
Li       4.01364171      10.28453693       4.66993420      -0.32347048      -0.64306140      -0.45026817
Li       8.52954509      10.40644082       0.77251327       0.29975726      -0.67095124       0.10461426
Li       4.78123410       0.59074093       2.25077562      -0.07086192      -0.35961835      -0.67377796
Li       7.30309390       3.35253018       9.10976182       0.10348217       1.22119927       0.01385810
Li       1.81812233       1.28237936       5.99169531      -0.83622186      -0.82263278      -0.20937309
Li       3.11243905       3.15076040       0.58458432      -0.46705476       0.67217127      -2.78526718
Li       8.42585696       5.32819001       6.72710826      -0.15296656       0.13303871      -0.60794152
Li       0.87732479       2.14203748       9.95303100      -0.75319400       2.99289058      -0.91867471
Li      10.46149757       5.13849407       4.31901563      -0.62709210      -0.25592042      -0.64796268
Li       6.55919776       1.11485731       8.84161736      -1.92424123      -0.76005192       0.29385593
Li       1.58694485       6.57320342       8.33072552       0.16643078      -0.46448076      -0.44085319
Li       9.99363064       2.93848112       7.43066725      -1.59663718       0.94352799      -0.65717172
Li       1.99073639       7.37722734       4.63582295       1.23744176      -0.45951056       1.80834157
Li       9.72793244       2.10214128       4.23157995       0.01776762      -0.24161316      -0.32174311
Li       8.07964194       2.29565885       1.62923482      -0.82944716      -0.10695843       1.50112962
Li       5.58220281       4.80757609       4.56552165       0.33458937      -0.25655270       0.17461903
Li       1.08871480       8.85738686       0.85263114       0.53303433      -0.48804110       0.98172703
Li       4.20248723       5.40469622       8.71389703      -0.33334016      -0.43419172       0.10213085
Li       5.63020424       8.56341486       5.62913334       0.01225585      -0.32640438       0.50029075
Li       8.06160466       5.58239179       0.53929583       0.29947933      -0.09717265      -0.26583650
Li       5.57379311       2.65543858       0.73698150      -0.61229373       1.17483303       0.41355439
60
Lattice="10.3558 0.0 0.0 0.0 10.3558 0.0 0.0 0.0 10.3558" Properties=species:S:1:pos:R:3:forces:R:3 energy=-469.62413288 stress="-0.0533044349426073 -9.023196826315842e-05 0.006785430225895854 -9.023196826315842e-05 -0.06194452513009732 -0.0056488770604335116 0.006785430225895854 -0.0056488770604335116 -0.055647826140092935" free_energy=-469.62413288 pbc="T T T" config_type=melt 
Cl       3.12358889       2.74480479       0.68810459      -0.25893854       0.43827067       0.06542247
Cl       4.15207516       1.25679024       4.62519024      -0.57651300       0.63674960       0.07551867
Cl       4.98714616       3.47742586       7.76776131      -0.04006631       0.88296112      -0.92066980
Cl       3.67123466       0.23942506       8.23344092      -0.67894526      -0.65632457      -0.74975637
Cl       5.75159061       4.92212210       0.36586006       1.14747773       0.84775794      -1.04942808
Cl       6.18232975       3.63566249       3.26686138       0.54009467      -0.00487895       0.68365043
Cl       4.26941673       6.74952728       7.84761488       0.14084994       0.48984614      -0.30697970
Cl       4.26011723       9.82414358       1.43835849      -0.40210881       0.61440513      -0.78901827
Cl       6.54514521       1.43660835       0.39287213      -0.74307287       1.24725897      -0.19029351
Cl       6.86641319       9.42450291       3.87339023      -0.71416191       0.00280361       0.11212324
Cl       7.72868888       1.91565731       8.01382547       0.14306714       0.22027202       0.62567250
Cl       9.26823388       3.30366589       0.01946890       0.46115537      -0.41536750       0.61942181
Cl       9.10757400       5.47950232       2.19589561      -2.44543830       0.91985018       1.06564974
Cl       8.89156237       3.47713590       5.93287924      -0.32322247       1.67220863      -0.47519009
Cl       6.59674816       6.30288162       5.37721808       0.50234262      -0.83811527       0.67913389
Cl       8.07069953       5.44121693       8.53653448      -2.12705974       0.78243974      -0.12750797
Cl       8.10883994       9.33542231       0.91152166       0.21187646      -0.45957175       0.24170662
Cl       8.63089653       1.76187368       2.99265015       0.28715619      -0.58664278      -0.21725393
Cl       0.24109442       7.65021262       9.88914694      -0.14982184      -0.51341829      -1.28237463
Cl       3.37184848       4.94685175       3.73843344       0.52029229      -0.39344097      -0.13253845
Cl       0.08123317       9.92418061       5.58263573       0.26415166       0.36011255      -0.46185359
Cl       0.99524312       2.84160045       3.90194117       0.42715735       0.45510579       0.51032450
Cl       0.91159622       2.08469503       7.75927991      -0.28497571      -1.26996823      -0.69539590
Cl       0.34341179       6.31750401       5.86898396       0.55837630      -0.01428048       0.24069519
Cl       1.59670902       4.82489149       8.75083740      -0.44573389       0.46496261       1.03756395
Cl       1.29415397       8.07140372       2.37190279      -1.20301640      -0.76617260       1.17637764
Cl       0.85749752       0.33853110       0.13027804      -0.56340794      -0.11923640      -0.17565586
Cl       6.34193334       9.88636123       7.01073162       0.31203614      -0.79361840       0.72249279
Cl       3.62008736       7.02634817       0.78082525       0.06039554      -1.11240209      -0.54046713
Cl       3.71081453       8.16965955       4.60117514       0.18459083       0.18999136       0.54713791
K        8.90368901       7.66814887       4.12431126       0.77275810       0.05086569       0.64220410
K        1.58526586       0.38703456       2.82786866       0.30100809       0.27307642       0.57681488
K        1.07911578       4.93608171       1.44410595       2.40054361       0.01184390      -0.45062079
K        6.18131489       8.05797225       9.81190303      -0.66217830      -0.19962553      -0.37311692
K        2.18151140       8.54575114       7.04001782      -0.57134901      -0.69205425       0.21914500
K        6.87439751       1.65757006       5.28435762       0.16652677      -0.69655735       0.07013843
K        2.45741063       3.87508858       6.39477899       0.23528457       0.79334924      -1.29343790
K        9.09499171       9.81048428       8.15315241       0.23360140      -0.27106488       0.41268526
K        5.80882712       6.66639091       2.83210418      -0.52340691       0.29000594      -0.73693727
Li       6.29403777       0.10283309       2.09139523       0.71861600       0.42050053      -0.63562455
Li       9.44786559       7.81608147       1.53338331       1.07136601      -0.54352030      -0.66056182
Li       2.35139830       8.73634964       0.40127897      -0.57059160      -0.30593203       0.11671641
Li       9.36451176       3.68011993       8.16749519      -0.08941396      -1.31488628      -0.52624061
Li       4.75398533       3.90649772       1.76583995      -1.62094828      -0.83559386       0.73447733
Li       5.58789648       4.00097369       5.33715149      -0.43189590       0.49424085      -0.11492345
Li       9.99420653       5.81777453       8.22762097       2.05264199       1.73222767      -0.32264367
Li       2.48846767       1.05840418       6.01025778      -0.30238176      -0.33524433       0.48411854
Li       9.23431864       3.77673955       3.82874638       0.42871153       0.25047211       0.02566209
Li       0.92942787       2.53416782       9.94310066       0.50364349       0.22636746      -0.05655750
Li       6.96689552       3.54724466       9.50643800       0.19414051      -0.45316637      -0.34549927
Li       3.63186191       5.39602422       9.49433207       0.19158881      -0.13453128       0.49165469
Li      10.18997257       1.84923521       5.63269567       0.20526212      -0.45317836      -0.14063348
Li       5.22187073       1.55042895       8.66199500       1.47561045      -0.28557717       0.36534868
Li       8.88933587       1.06322999       0.90820573       0.07096102       0.19343794      -0.34779557
Li       7.78898034       3.52463795       1.77696208      -0.15543196      -0.04577992      -0.42526426
Li       5.95868590       5.56575578       7.31080128       0.63368493      -0.69654890       0.70104618
Li       2.17936775       6.61211617       4.27512278      -0.62039702       0.59044491      -0.11358251
Li       4.63864243       9.80267601       3.48203419      -0.17677312      -0.40813885       1.27075117
Li       2.91156424       0.88604328      10.01075510       0.11349032       0.06934083       0.87603709
Li       5.84622191       7.94024752       6.59475984      -0.84920917      -0.00633160      -0.73186834
60
Lattice="10.5098 0.0 0.0 0.0 10.5098 0.0 0.0 0.0 10.5098" Properties=species:S:1:pos:R:3:forces:R:3 energy=-468.69260958 stress="-0.04662407386315545 -0.003076955989745023 0.004145039531711535 -0.003076955989745023 -0.055962412873825404 0.00396520907091244 0.004145039531711535 0.00396520907091244 -0.056852445040995576" free_energy=-468.69260958 pbc="T T T" config_type=melt 
Cl       3.11399068       2.20642741       0.91762325       0.51417208      -0.46340885       1.43999209
Cl       6.15428664       4.35731053      10.37980954       0.19875794       0.80306445       0.47639121
Cl       4.41112071       7.57927890      10.34190384       0.37899559       0.42706001       0.61373643
Cl       5.82411077       9.58242576       4.13833885       1.07732445      -0.28356076      -1.21341096
Cl       4.40578173       2.07453993       8.34387736       0.96224935      -0.75007973      -0.59153749
Cl       5.89986541       9.89274862       7.51617806       0.00536985      -0.55006163      -0.38327964
Cl       6.40392592       3.67729494       3.20897825      -0.45843759      -0.31158679      -0.46321979
Cl       4.14464473       1.59863517       4.90114013      -1.77837129      -1.08226231       0.28995190
Cl       6.38462993       0.62776717       0.62760742       0.01382003       0.32761022       0.71086360
Cl       9.63098103       3.12604542       0.37074160      -0.00290277       0.54234832       0.34643776
Cl       0.71911415       7.68924293       9.66026134      -0.19863037      -0.23271926      -0.50924593
Cl       3.28558419       6.74631419       7.52809617       0.18814814       0.82697323      -0.88930684
Cl       2.16932782       9.10908539       5.63317923      -0.06080051      -0.14817729       0.68060763
Cl       5.71646940       4.89538076       7.37325529       0.31042842       0.17699304      -1.32798339
Cl       1.27231639       7.65431887       3.09814190      -1.70911282      -0.52622877      -0.62934817
Cl       0.34189010       0.19327522       0.24457145       1.23499118      -0.19388864      -0.80116501
Cl       3.20547849       9.30616516       2.05104002       1.77571865       1.06681487      -0.38392033
Cl       8.47695244       3.58732054       5.82432096       0.99110870      -0.11575181      -0.46274240
Cl       9.84447711       0.27693848       5.64960605       0.42191508      -0.04682111      -0.16441754
Cl       2.11058855       4.58731750       9.52294029       0.11251731      -0.14160814       0.15126346
Cl       8.05565660       1.85210001       8.35940033       1.79994557      -0.49706562      -0.35945512
Cl       0.57742102       6.02598301       6.00642427      -1.02909122      -0.04626008      -1.15945803
Cl       8.91437032       5.67543914       2.68059806      -0.01062761      -0.11305114       0.29790118
Cl       7.42955629       7.06731501       5.15824137       0.57935236      -1.48138754       1.09728021
Cl       1.16316161       1.97162797       7.73293217       0.00679472      -0.95888223       0.73983172
Cl       9.49863112       5.17589783       8.39657349      -1.09717826       0.97936713       2.01118678
Cl       0.94700865       3.41757676       3.98679804      -0.49091310      -1.36281661       0.30338252
Cl       8.15621437       7.95205099       0.62518701      -0.27254731       0.18105123      -0.40587238
Cl       8.60273373       0.85440996       3.10485766      -0.63690321       0.35963482      -2.05534289
Cl       3.28608866       5.27178925       4.08302577       0.73886157       0.53820859      -0.27297018
K        6.73823215       7.36972400       8.47042586       0.84268476       0.26476799       0.38219919
K        5.28405419       6.65590889       2.47998700       0.49488239       0.34205968      -0.02415261
K       10.07559812       9.61918904       7.96354871      -0.27615788      -0.30193011       0.61711003
K        1.29861191       0.56713298       2.72320479      -0.43179284       0.68954192       1.52185862
K        6.82946773       1.69386447       5.37005588      -0.42109290      -1.66716116       0.40307604
K        1.08876273       5.05741035       1.71205693       0.31103652       0.28941630      -0.25632499
K        3.20487943      10.11903513       9.16327391       0.06560563      -0.71920490       0.24214560
K        2.88915453       3.87252499       6.71506855       0.08878033       0.78859212      -0.41873229
K        8.99630472       8.66938688       3.65823016       0.43512034      -0.34917514      -0.42055026
Li       9.98365839       3.28621477       7.65997314      -0.56084950      -0.66592034      -0.19605340
Li       6.88571618       3.56802455       8.48259621       0.10123734       0.18845966      -0.08763745
Li       1.91222658       0.49202154       6.30468188      -0.36711753       1.27399618      -0.29158371
Li       1.09651896       2.23194521      10.28823240       0.00406778       0.66825272      -0.57072791
Li       8.67965496       5.48965740       6.51510910      -0.48064999       1.58447530      -0.22767624
Li       9.69106556       4.79771319       4.55082748       0.82224270       0.31222903      -0.82880952
Li       8.46345786       5.46751325       0.60219367       0.12816134      -0.03186663      -0.58030837
Li       1.05131631       6.29544377       8.01967105       0.60701804      -0.20860980       0.89602148
Li       4.34626473       3.46620561       4.20692580       0.54161496       1.01000320      -0.75194145
Li       9.71595277       2.02319956       4.39903444       0.44221711       0.92528351       0.50329334
Li       7.91357462       2.33165168       1.44091460       0.04942493      -0.18161375       0.52034749
Li       8.99375084       9.99282819       0.30247940      -1.88752785      -0.43272597       0.54916505
Li       5.42974103       3.05777376       1.31369347      -0.45062861      -0.70299331       0.71054401
Li       5.84785241       8.16363429       5.78527706      -0.91743932       0.60739725       0.64379640
Li       3.91621423       9.83811868       4.76267352      -0.43996421       0.43116179      -0.29085898
Li       3.92016591       3.34188518       9.85153970      -0.20923786       1.10835409      -0.11901399
Li       6.42001643       0.95805130       9.05445545      -1.48619524      -0.61413297      -0.36393820
Li       4.69215276       0.47210022       2.11521286      -0.03540490      -0.42573341       0.22775404
Li       4.76395571       6.01307697       9.05210125      -1.13143356      -0.97000704      -0.26522945
Li       1.44351052       8.39625820       0.91147817       0.44743907       0.21249434       1.06527834
Li       2.23860842       7.02981604       4.93507628       0.14900402      -0.34891811       0.32479879
60
Lattice="10.1118 0.0 0.0 0.0 10.1118 0.0 0.0 0.0 10.1118" Properties=species:S:1:pos:R:3:forces:R:3 energy=-464.88255696 stress="-0.08327142780512105 0.0021698010349596535 -0.004785406746337164 0.0021698010349596535 -0.09263891827724267 0.00016915694342404925 -0.004785406746337164 0.00016915694342404925 -0.09001317986901436" free_energy=-464.88255696 pbc="T T T" config_type=melt 
Cl       3.15047286       2.15220562       1.48161127       0.36043483       0.22961584      -0.42949186
Cl       5.71650389       3.03866668       7.58002774      -1.16562138       0.61303951      -1.46304933
Cl       4.03756085       0.67795170       8.39637358      -0.86829538       0.27047327       0.27105129
Cl       3.32294983       6.11136968       1.20485131       0.92606085      -1.38007527       0.24925165
Cl       5.68949528       4.39995765       0.22217849      -0.37107208       0.28642957      -0.66035527
Cl       4.58617655       6.29895369       7.41787491      -0.86932579      -0.01503591       0.03675730
Cl       4.03584184       9.05017223       1.36495143      -1.13031650       0.26860141      -0.84727522
Cl       6.20432746       9.58802898       3.36049494       1.68074943      -1.12267344       0.60532739
Cl       6.25501791       9.23078920       6.62742540       0.48468255      -2.33229245      -1.60525204
Cl       8.60523281       2.97918908       2.88569537       0.93693405       0.35946344       1.10466274
Cl       8.99363716       0.26785956       4.38315183       1.27612718      -0.11559165       1.20593351
Cl       7.90935895       1.02063453       8.09240276       1.26555062      -0.13849256      -0.18320732
Cl       7.44158709       6.27931657       1.89447607      -0.07353171       0.41042921       0.19009426
Cl       9.49866090       3.56851489       6.52444683      -0.48137852       1.45966413      -0.60942698
Cl       7.16804267       5.37382510       5.48655145       0.04109019       0.78583389       0.24228546
Cl       8.12401224       6.25885029       8.61316046       0.14101564       0.80925321       0.07072283
Cl       8.87686609       3.32726757       9.96870792      -0.11857790       2.47203493      -0.11110967
Cl       8.43932850       9.54873453       0.76179571       1.12223042      -2.69754779       0.69532048
Cl       4.06344705       1.01565953       4.48557426      -0.12361206      -0.46743156       2.46767693
Cl       6.40562306       1.31613166       0.92803572      -0.84766975       0.94763744      -0.40904354
Cl       5.32611763       3.84320194       3.57632120       0.71435401      -0.22315657       0.04360759
Cl       1.78833250       7.92416263       8.96550613       0.33572351       0.38655522       1.04816262
Cl       2.44245473       4.82232753       4.01770127       0.15472937       1.14290772      -0.35975685
Cl       0.60009185       1.19943138       9.58649199       1.79034011      -1.45151318       2.21851324
Cl       2.22261409       8.66177799       3.99789225       0.25291148       0.15806955       0.53385399
Cl       0.36627063       7.20951116       2.29465055      -0.56687780       0.01621324      -0.49425908
Cl       1.15912575       2.21433252       3.66198837      -0.73040874       0.21412491       1.08823538
Cl       1.07269008       6.71972591       6.44839598      -0.99515661      -0.51790167       1.26147719
Cl       0.85819453       0.75844264       6.97635328       1.80883338      -0.04896978      -2.49857171
Cl       1.88785284       4.28600777       9.10325918      -0.17880324       0.02030955      -0.70873006
K        9.53024005       8.77488859       7.84200425      -0.69954853      -0.27558884      -0.15315969
K        6.09318867       8.46991670       9.61448145      -0.23544247      -0.21616340       0.25074559
K        3.38381275       8.70817093       6.51768203      -0.43399030       0.22277486       0.26399195
K        4.82603856       7.09209294       3.56667454      -0.09488933      -0.50226060      -0.14747795
K        2.64507498       3.66093674       6.44059978       0.39347208      -0.35649616       0.44989000
K        6.76916250       1.86986394       5.22277504       0.05367779       0.37354805      -0.14473826
K        8.27046144       7.87233965       4.43832182       0.21126260      -1.04297895      -0.44433690
K        0.92406078       0.15026843       2.00815292      -0.05754402      -0.97495094       0.02171469
K        0.75269003       4.49850725       1.58918060       0.03273295      -0.31841151       0.37055159
Li       7.56808570       4.67340094       3.38785747      -0.76790482       1.04104614       0.67168166
Li       3.16826962       2.62423456       3.74723084       0.43606614       1.56666262      -0.81936538
Li       1.88876290       0.61114809       4.94359835       0.02940228      -0.56605849      -0.00487250
Li       6.97448260       2.74638510       9.18368844      -0.48942501      -0.03942792       0.56897634
Li       9.82743596       2.32964749       8.12186854      -0.28694904       0.07467228       0.04252318
Li       8.98372759       7.36691144       0.46179984      -0.02887452      -0.39397653       0.67979322
Li       2.50583549       2.14484423       9.52383928       0.64545437       0.76253570      -0.36441357
Li       4.79979844       0.68357386       2.49370133      -0.46248121       0.55998136      -1.00374504
Li       8.02468403       1.00482372       2.73801253      -1.23537630      -1.25911488      -1.09147566
Li       8.65366833       1.29387559       0.04815805      -0.37869889       0.00197103      -0.07680314
Li       2.69099266       9.88500244       9.68277655      -0.34481348      -0.76257735       0.48891906
Li       6.26830482       5.11694494       8.07735640       0.48059224      -0.62586618       0.16386741
Li       3.84855108       5.44099779       9.26938594      -0.26391331      -0.25111113       0.54742840
Li       9.96033636       5.23559680       7.74179632       0.40738204       0.47330139       0.35266843
Li       6.26424999       7.13379401       6.52437604       0.80631939      -0.47297471      -0.19152281
Li       2.18703066       7.68285463       0.97856843      -0.72909517       1.03645321       0.30469610
Li       4.06097977       4.19439486       1.93079765      -0.00997113       0.02456448      -0.59783930
Li       1.33897422       6.69609463       4.52672928       0.23052336      -0.14100177      -2.24796558
Li       5.95849949       0.73141278       7.63125412      -0.84976425       1.89601674       0.81471578
Li       9.96596762       1.97795909       5.40492900       0.03526737      -0.83634479      -0.77287728
Li       7.18777079       3.27369525       1.47814292      -1.16459102       0.66180207      -0.88497525
60
Lattice="10.0229 0.0 0.0 0.0 10.0229 0.0 0.0 0.0 10.0229" Properties=species:S:1:pos:R:3:forces:R:3 energy=-463.95766667 stress="-0.0974757675043463 -0.0003803687259496428 0.0023364323142668593 -0.0003803687259496428 -0.08107544925673653 0.007090513275825726 0.0023364323142668593 0.007090513275825726 -0.1069157709868887" free_energy=-463.95766667 pbc="T T T" config_type=melt 
Cl       3.24756994       2.19379231       1.49388318      -0.26469797      -0.57122929       0.13483799
Cl       7.09153251       5.82867717       5.17705838      -0.93279593       0.28063680       0.99753012
Cl       4.10064903       6.22553390       7.00464399      -0.48933259       0.88662395      -0.61111372
Cl       8.99888035       9.94823942       5.58455942      -0.65409515      -0.32102528      -2.88223001
Cl       5.22084843       3.99294295       3.02942153       1.07706161      -0.70129687       0.65486559
Cl       6.35439833       8.73071766       3.80621632       0.49930559       0.53280599      -0.87229350
Cl       6.06269184       9.27016016       7.23514062      -0.43968058      -0.78353515      -0.16008214
Cl       4.00086104       1.55185563       8.67894938      -0.04208316      -0.74363443      -0.53737288
Cl       5.85602967       3.38013282       6.57320826      -0.03702851      -0.04936530      -1.25484416
Cl       4.29928286       0.87529485       4.66030772      -0.49691369       1.05930660       1.46483073
Cl       6.24428675       1.31081491       1.21714088      -0.97018061      -0.46215542       0.81802483
Cl       1.90703714       8.28643257       9.42758985      -1.54498429      -0.09054688      -0.87686031
Cl       1.94376104       8.53859872       4.09619886       0.34433772       0.58664868       0.76109220
Cl       0.20609688       6.88209399       1.99785463       0.60233935       0.27962922       1.23889033
Cl       3.63504523       8.93592652       1.64818572       1.15473330       0.34282305       0.77276376
Cl       8.62232000       2.87800557       2.56000903      -0.73455984       0.37915351       0.19242063
Cl       9.51181228       3.60597882       6.52810521      -0.86034869       0.65459322      -1.52127519
Cl       0.59903265       1.47510026       0.02235377      -0.04663984      -0.43711600       0.22158105
Cl       8.29860038       8.96995426       0.18981769      -0.12627436       0.60293826       2.38013622
Cl       1.07410408       2.16461564       3.76639534       0.90756384       0.40436790       0.74558716
Cl       1.34783950       1.12010919       7.05456805       0.40762399       0.76923956       0.28761690
Cl       8.83639912       4.22466237       9.92956676       1.27982637       0.23484418      -1.04588629
Cl       7.83658478       6.46100189       8.25097155      -0.43878471       0.16981676      -0.32458003
Cl       1.73681823       4.60637450       8.54919292       0.07831113      -0.29288382       0.39581346
Cl       5.52554459       4.22520361       9.38331871       1.42415237      -0.28271311       0.12827791
Cl       3.59696824       5.93186293       0.95779634      -0.50037586       0.25173320       0.45596675
Cl       2.60673579       4.90754260       3.85535860      -2.19951613      -0.04848900       0.72063766
Cl       0.46830597       6.88948086       6.47513418      -0.79289544      -0.28904513       0.53580861
Cl       7.74943566       1.71557970       8.29723726       0.71134872      -0.38518627       0.58778160
Cl       7.22615008       6.17597066       1.74570854      -0.27510073       0.29370921       0.13250919
K        2.65718104       8.88564163       7.06784839       1.78630038      -0.56438587      -1.27012901
K        5.79637337       7.78421512       9.83916020      -0.84557253       0.10548325      -0.17924562
K        9.35358076       5.44430898       3.99319352       1.63377826      -0.62993030       0.68171456
K        7.14446344       1.71954877       4.63599217      -0.55223433       0.17661464       0.19880830
K        4.39167396       6.75741913       3.63055498       1.05300855       0.75091414      -0.17936576
K        9.28788065       8.96943307       7.85293213       0.49652109       0.15387338       0.53131661
K        0.41375333       9.99353290       2.30496631      -0.30902529      -0.80793165       0.04906382
K        3.02107245       3.45160612       6.21925956      -0.11647814      -0.14403560       0.47793985
K        1.14095682       4.10702360       1.38022349      -0.18021194       0.34817243       0.85139546
Li       2.91425840       0.12024974       0.08923428      -0.08874785       0.78184933      -0.40563308
Li       7.32060589       9.69696531       2.23550762       0.45590185      -0.44140741      -0.71324909
Li       3.53892562       2.73894786       3.53813381      -0.44293501      -0.03827685       0.20137640
Li       7.50646052       4.02114739       8.17222163       0.11012500      -0.86848225      -0.08351917
Li       9.64067671       5.28228880       7.74338183       0.53274594       0.74853739       0.41873264
Li       9.99597348       1.75599203       5.61528963      -0.25166772       0.18137873      -0.28533137
Li       2.15596588       0.75866237       4.95041054      -0.16018726      -0.84777311      -0.01624818
Li       2.41302320       2.71551432       9.57776297       0.08727313      -0.29537982      -0.65001548
Li       7.06297726       4.78323859       3.37225482       0.20960650      -0.30269044      -0.20618135
Li       6.02951604       5.39565783       7.30152228       0.08057744       0.51893230      -0.36887908
Li       3.83951239       5.30994198       9.00812147      -1.04346022       0.57907602      -0.86214169
Li       9.98616607       2.73951917       8.42758508      -0.26584460      -0.33346043       0.04483943
Li       1.92192114       6.75730888       5.15814516       1.08095396      -1.04543307      -0.65230244
Li       1.96413760       7.45567449       1.20987428       1.44508899      -0.27150927       0.85321144
Li       8.20222017       1.22280382       0.55282909       0.94056189       0.65002120      -1.21272035
Li       5.00869370       0.16335022       2.90334347      -0.35530715      -0.09501336      -1.41862253
Li       6.56832710       7.83063117       5.61446776       0.34888990       0.32557771       1.40601684
Li       5.76833932       1.38943454       7.38100388      -0.11289486      -0.25309579       0.39818442
Li       4.41166964       3.92142956       1.10989585       0.02581913      -0.01601264       0.10014987
Li       9.32190840       6.93597710       0.26993474      -1.42791434      -0.31413494      -1.60262849
Li       7.13758773       4.00558182       1.06489303      -0.77498668      -0.32212582       0.35302859
60
Lattice="9.90653 0.0 0.0 0.0 9.90653 0.0 0.0 0.0 9.90653" Properties=species:S:1:pos:R:3:forces:R:3 energy=-462.55423611 stress="-0.11394297868910709 0.008160930661609115 0.009400542795637328 0.008160930661609115 -0.11415133003793236 -0.005730940035447059 0.009400542795637328 -0.005730940035447059 -0.10370588604459557" free_energy=-462.55423611 pbc="T T T" config_type=melt 
Cl       0.95127950       1.84809289       3.29316833       0.79617304      -0.69229743      -0.03533691
Cl       6.28820954       3.22968728       6.26870359      -0.10430939       0.96017748       0.86301307
Cl       4.36271693       1.12087434       8.59067534      -1.48240980      -0.34347564       0.45728532
Cl       3.35022994       5.59638702       1.08559718       0.05831409       0.52967744       1.12477764
Cl       4.00501195       6.14966672       7.13589150       0.39242413       0.56338030      -0.51508816
Cl       5.35898694       3.93654792       9.39677959       0.63826513       0.81417545      -1.46747622
Cl       5.82137422       8.78953902       3.09215493       0.17874080       0.23434200       0.44409836
Cl       6.03717807       9.01879594       6.88910003      -0.09025815       0.02872984      -0.29932915
Cl       6.51829861       1.84174281       1.45604197      -0.33812108      -1.83414405       0.22798793
Cl       8.03124368       1.35158751       8.01579940       0.62312417      -0.34075012       0.12131036
Cl       6.86818734       6.11586564       1.94891165      -0.46155098      -0.39430050       0.36483442
Cl       8.70127184       3.80370135       0.09502730      -0.92684387       0.88427551      -0.02206713
Cl       8.39044456       3.44189506       3.52349515       1.37419399       1.12532488      -0.77489329
Cl       6.78670613       6.43622301       5.35326096       0.24677046      -0.26014823       0.18372218
Cl       9.22244448       3.83458001       6.68486700      -0.61199125       0.12105365      -1.36765523
Cl       7.60653093       6.51192871       8.55391221      -0.55906577      -0.17911659      -1.09358261
Cl       8.04774796       9.16737408       0.30170040       0.32835331       0.95557333      -0.13788027
Cl       8.81819861       9.30996867       4.27550975      -0.61568873       0.47629373       0.00466021
Cl       4.05398983       1.11065080       4.61834503       0.39925434      -1.05359467       0.85515598
Cl       3.34733723       2.03661416       1.34694135      -0.40229136       0.32576419       0.88786617
Cl       5.12720385       3.86924295       3.31854886      -0.44261601      -1.16578844      -0.13722175
Cl       0.19510217       6.67335562       1.35549069      -0.64822051       0.04675222      -0.43406733
Cl       1.41313678       1.48984305       6.94406146      -0.38709436      -0.18025341      -0.96665718
Cl       1.57366220       8.24810753       4.30427831       1.41342254      -0.04209740       1.05392843
Cl       3.27207733       8.61079550       2.04810573       0.75649024       1.27778926      -0.88689146
Cl       0.83804191       1.27698144       9.84447550      -0.95088310       0.06910563       0.27844146
Cl       2.16842054       8.03768293       9.04370096      -0.40658544       0.94390034      -1.60119347
Cl       1.75048385       4.31954428       8.26939667      -0.09650022      -0.18584648       1.12154209
Cl       2.23974755       4.67329656       4.32113923      -1.00994546      -1.16293580      -0.97847062
Cl       0.82004571       6.60786355       6.58725796      -2.49213884       0.73837651       1.90602434
K        9.29447486       6.31150970       4.06299487       0.29869511      -0.15502296       0.15372346
K        0.95556209       4.14929065       1.66405928       0.41521066      -0.78227808       0.30076936
K        7.00306475       1.51920600       4.46283233      -0.85192198      -1.25961689      -0.03811073
K        5.29533748       8.04081339       9.56829135      -0.38585980       0.04318703       0.20973137
K        4.43450956       6.39288194       3.72470668      -0.41670846       1.43786517      -0.01250103
K        2.97851712       9.10777639       6.67951748       0.94843532      -0.74933404      -0.08570207
K        9.18854433       8.91509438       7.24540819       0.27777572      -0.42649693       0.20778918
K        3.67490656       3.37484767       6.34625190      -0.76968093      -0.10042094       0.77291755
K        0.64917689       9.25722630       1.98373310      -1.02479620       0.79697872      -0.25594270
Li       1.89993376       0.85131766       4.97731805      -0.18780768      -1.08131684      -0.79125295
Li       7.93925165       7.17613183       0.52615067       1.20379807      -0.86064410       0.91078827
Li       7.34616751       9.77024587       2.18861005       0.74331449       0.25895770       0.12003732
Li       3.16093597       2.74391068       3.78750418      -0.51401256       0.73303825      -1.48556341
Li       9.35440936       5.53830504       7.89718852       0.73282106       0.00112229       0.32460231
Li       4.49627677       0.63713848       2.49049174       0.32643411      -0.58652925      -0.12088447
Li       0.11055588       2.45092505       5.08753811      -0.69359843       0.86373624       0.96261928
Li       2.56325520       2.64222015       9.33530957       0.24557194      -0.67759212      -0.52227580
Li       2.64154650       0.09502393       0.02664857       0.74754306      -0.20891717       0.12031416
Li       3.51507460       5.10539958       9.03694470       0.30401059       0.66672699      -1.09462269
Li       9.90594096       2.89596601       8.50932292       0.32085764      -0.59415511      -0.76621493
Li       6.89300320       3.88202238       1.54000971       0.49020608       0.89013125       0.02872025
Li       6.02022800       1.19598565       7.44479692       0.17841614      -0.20194957      -0.88419425
Li       7.01095035       3.11872424       8.38531297       0.78935503       0.80140668      -0.06569627
Li       4.33907005       3.87221491       1.17067446       0.35633313      -0.77557891       1.79379653
Li       2.25276474       7.27805021       0.90647622      -0.91255430      -0.66230090       0.98463121
Li       6.85374362       8.64947060       4.94549828       0.02010697      -0.70320825       0.17167976
Li       8.38317316       1.66892339       0.34316913       0.37901957      -0.75801558      -0.13840179
Li       6.09600305       5.41712836       7.31260418       0.18224379      -0.00587044      -0.34891766
Li       2.27086397       6.29257832       5.43093806       1.56385019       1.16930522      -0.17643783
Li       6.88447368       4.79958500       3.91381243       0.05392981       0.66684953       0.54776138
60
Lattice="9.88007 0.0 0.0 0.0 9.88007 0.0 0.0 0.0 9.88007" Properties=species:S:1:pos:R:3:forces:R:3 energy=-460.52531194 stress="-0.11272666110295548 0.007818293999163067 -0.0022549827797362404 0.007818293999163067 -0.12098599765062806 0.004797620674405987 -0.0022549827797362404 0.004797620674405987 -0.12334535668191422" free_energy=-460.52531194 pbc="T T T" config_type=melt 
Cl       3.27380071       2.04294159       1.32821733      -0.14933173       0.09868617       1.78929274
Cl       3.89490144       1.24159876       4.74892481       0.14211018       1.66452544       1.23906315
Cl       5.94720934       3.27962996       6.58411817      -0.97743589       0.93495067      -2.10961484
Cl       3.96181915       1.08811187       8.12999344       0.28457136       0.13928733      -1.48486218
Cl       6.53201068       5.97994201       1.55001502      -0.15497140       1.04955962       0.74417350
Cl       3.86612079       5.98955532       7.11792847       0.66388891       1.15252855      -0.77944612
Cl       5.29519388       3.80935979       9.42731579       0.67507108      -0.49962297      -0.48513174
Cl       3.92257551       8.82631113       1.35204806      -0.29521893      -0.78402232      -0.42430488
Cl       5.50880099       9.19260485       3.85556888       0.96464379      -2.54726193      -0.49053983
Cl       6.56309338       9.29513034       6.75279072      -0.69833243       0.16272470       1.06265692
Cl       7.86146302       1.78527925       8.08525648       1.21619365      -2.51171370       0.64835828
Cl       8.40264385       4.06982807       0.21111141       1.49759305      -0.16855697      -0.76637571
Cl       8.52353639       3.72259301       3.33152996      -0.88128511       0.20245317       0.96527930
Cl       6.70351881       6.05479342       5.01255471       0.55507673       0.36050112      -1.43426982
Cl       9.44548524       3.70359364       6.58321908      -0.53511997       0.90160317      -1.67353361
Cl       7.50312276       6.25446963       8.11270332       0.88326634      -0.30100646      -0.08968452
Cl       8.08840823       8.87940663       0.56077301       0.61092155      -0.15295802       0.40278092
Cl       8.47683330       9.26081685       4.09243367       1.96295052      -0.84576663      -0.26768051
Cl       6.35082008       1.37011871       1.29218472      -1.26811950       0.23652745       1.50760939
Cl       1.90775260       8.86426048       8.75619228       0.50144058      -0.83919042      -0.02188054
Cl       5.00488778       3.82383409       3.19771430       0.56993355      -0.63567935       0.69465961
Cl       0.70561978       6.63618614       7.19749267      -0.52236926       0.90879995      -0.09285244
Cl       2.13211911       8.02568954       3.92594462      -0.02216161       0.18861795       1.11842596
Cl       1.01381374       1.90461073       3.36932123       0.25569516      -0.94621571       1.08940367
Cl       0.45394871       6.64293422       1.54162684      -0.94636156       0.63740628      -0.19182720
Cl       0.84302883       0.73021720       6.47380719       0.69821677       0.25062447      -0.62926063
Cl       0.65750977       1.51215459       9.69474953      -0.32668859      -0.65834169       1.11187158
Cl       1.80169004       4.19758726       8.79556436      -0.30559234       0.99135642       0.88538339
Cl       3.25903001       5.79047191       1.00550460       0.40679060      -0.41138245       0.50903813
Cl       2.17266691       4.61922913       4.61866596      -0.55201202       1.17877781      -1.07128396
K        3.03589851       3.27126154       6.68527032       0.11926752      -0.85411491      -0.72429132
K        9.49164493       6.39312654       4.38578283      -0.03480235      -0.34141439      -0.14069330
K        6.99789550       1.58411114       4.42207233      -0.46273547      -0.30950866       0.01944359
K        3.66431048       8.81325956       6.34340014       0.11771989      -0.36094684       0.40102142
K        1.01411014       3.98763577       1.86253152       0.10180517       0.51110564      -1.22034524
K        5.79578738       7.91452887       9.30771754      -1.30550815       0.53461796      -0.10415805
K        9.18188497       8.94482257       7.97210992      -0.52288165       0.12370097      -0.39493131
K        4.43425446       6.50508749       3.31050517      -0.26907144       0.94539395       0.85521227
K        0.90977562       9.52691678       2.01462531      -0.78187641      -0.60921944      -1.42451262
Li       4.17238320       0.51316293       2.75208362       0.45553456       0.29958207      -0.72734132
Li       7.39286118       8.13885586       2.44595953      -0.58518279       0.16576856       0.18596135
Li       2.04037278       0.37436573       4.66239515      -1.35769625      -0.34359163       0.01736039
Li       7.40585347       3.70355412       8.03821747       0.04341433       1.63491811       0.60306599
Li       9.53270650       5.14965057       8.06730440      -0.33294294       0.56727017       0.83352054
Li       3.16353913       2.90465166       3.65677199      -0.90789363      -0.20332527      -0.27464589
Li       5.86395987       1.51572130       7.67621171       0.65828452      -0.87539402       0.13498133
Li       4.28850366       4.06340603       1.36823161      -0.01408123      -0.55787159      -0.75603834
Li       3.20766353       2.64506270       9.32708248      -0.16076097       0.44760131      -0.68473183
Li       6.03574464       5.51316798       6.78772665      -1.07545919      -0.25824625       1.23002487
Li       6.95717973       3.68710380       1.77374921      -0.57323513      -0.15780050      -0.01233568
Li       3.22752247       0.32084539       9.73000162      -0.95825048      -0.84617277       1.77739058
Li       0.11156279       3.05195362       8.47448184      -0.65188045      -1.29553369       0.31732080
Li       9.72796632       2.14535840       5.14851436       0.02981359      -0.06352689      -0.08899455
Li       2.26299051       7.35499087       0.24923959      -0.72342008       0.62498995       0.07604441
Li       8.05125916       1.73260860       0.37920005       1.89535847      -0.27836556      -0.65541109
Li       1.90118235       6.65241909       5.63409016       1.42970696      -0.53540911      -0.67956800
Li       6.96808733       8.08535528       5.13377329      -0.08881321       0.79599172      -0.16428237
Li       6.39748365       4.00733663       4.60827213       1.36931483       0.39822682       0.37046988
Li       3.77274425       5.08666512       8.98613115      -0.35713383       0.71276149      -0.18392171
Li       8.31151997       6.35269729       0.50694343       0.69004232       0.37130113      -0.34106278
60
Lattice="9.84072 0.0 0.0 0.0 9.84072 0.0 0.0 0.0 9.84072" Properties=species:S:1:pos:R:3:forces:R:3 energy=-459.65367757 stress="-0.1266322929357777 0.008649958874746302 -0.0012600829295536305 0.008649958874746302 -0.12683881197725191 0.0012876447909780909 -0.0012600829295536305 0.0012876447909780909 -0.1185323923995184" free_energy=-459.65367757 pbc="T T T" config_type=melt 
Cl       3.12270647       1.98907521       1.40559924       0.70646924       0.71051032      -0.09499256
Cl       5.68039817       4.19118233       9.41771665      -0.53161439       0.38991405      -0.09240261
Cl       5.54047297       3.40532211       6.45588627       0.22664997      -0.70892768      -0.31197804
Cl       6.15852923       9.10961355       7.10713528      -0.24878336       0.30736430       0.84764822
Cl       3.65629983       5.99034149       6.99626972       1.02351087       0.58584228      -0.03159433
Cl       5.29824365       3.89539981       3.41686528      -1.39903827       0.06572345       0.39288747
Cl       3.54364327       5.50241891       0.94296141       0.05406998       0.24604138       1.94987790
Cl       3.86433266       1.37176685       8.32631192      -0.45268935      -0.01403015       0.01264928
Cl       3.95725857       1.39957672       4.73520685       0.11389156      -0.91946841      -0.21897335
Cl       6.35412338       1.69475896       1.30931764      -0.01835962      -0.63433879       0.26970594
Cl       2.12916770       8.31141307       8.90775086       0.24402555       0.14668958      -0.54474691
Cl       2.05082573       8.16820107       4.55357668      -0.59910268       1.59709358      -2.73519507
Cl       3.71144723       8.68653147       1.81147974      -0.75994761       0.64173930       0.20003689
Cl       7.13652951       6.11214008       2.12563488      -0.82112932       0.68403108      -0.01402667
Cl       1.46932774       4.25291317       8.53611607       1.29052408      -0.23179543      -0.42275911
Cl       7.71939535       1.67401472       8.05387158       0.06859921       0.05119259      -2.32562906
Cl       5.96755038       9.18066355       3.65329841      -1.90273539      -0.21077873       0.06249941
Cl       0.61011677       6.43787775       6.46657329      -0.75372919      -0.27906779       0.91558190
Cl       1.88721392       4.87096943       3.65540433       0.93499817       0.83417008       1.05303233
Cl       0.53975168       6.49483584       1.09546895      -0.33254767       1.01433065      -0.02138481
Cl       6.87613421       6.03425078       5.32123157      -0.16725426       1.10197607      -0.68441715
Cl       9.00988769       3.96087012       6.29259920      -0.67538572      -0.70490642      -0.10564095
Cl       8.58435528       8.92980391       4.54487749       3.13984953       0.76731402       0.65154957
Cl       0.49440073       1.05810374       9.56738416      -0.59028900      -0.14940082       0.77935579
Cl       8.38852495       3.52566428       3.23571730       0.20615293      -0.05328658      -0.47083411
Cl       7.54960357       6.57250864       8.19708358      -0.22290481      -0.45527521      -0.08939390
Cl       0.87137312       1.33730464       6.66365339       0.27173101      -0.65954242      -0.97737059
Cl       8.68285104       3.89344151       9.81309710      -1.80555915       0.40945973       0.18753099
Cl       7.93648164       8.73744736       0.66144498       0.13424838      -0.94196865       1.07675458
Cl       1.20670845       1.92686218       3.47001500      -0.89725608      -1.82889527      -0.81288054
K        4.69294096       6.79659168       3.55085652      -0.66599406      -1.25519607       0.41429424
K        9.43218251       6.32312511       3.79211161      -0.29791683      -0.22825671       0.42178354
K        7.01180822       1.41824457       4.82897907       0.28151030       0.54671213       0.20063329
K        5.39737906       7.64795173       9.81517349       0.40615385      -0.23630664      -1.01532686
K        3.48160737       8.93255931       6.51922114       0.61971832       0.36565948       1.33573366
K        9.42110186       8.57626621       7.55788946      -0.20373935       1.19144589       0.08882802
K        0.76523407       9.35832791       1.90433677      -0.29241396      -0.61375255       0.81147080
K        2.81899233       3.44042396       6.08520603      -0.96447479       0.27827008       0.48586926
K        1.00920520       3.86243340       1.33874139      -0.12542359      -0.60367229       0.80913272
Li       6.86856670       8.20779029       5.44850160      -0.21734988      -0.79091846      -0.27431255
Li       7.56817301       8.29124943       2.86620811       0.37165844      -0.65873492      -1.57621848
Li       3.05117428       0.18494059       0.19076629       0.10448561      -0.54005714      -0.60845754
Li       1.84913033       0.46132213       4.83566092      -0.08143559       0.11815716       0.37578490
Li       2.90666331       3.05430363       3.38515848       1.63593369      -0.16677678       0.09015231
Li       7.06061819       3.55867989       7.97485060       0.87016452       0.94940979       0.32654547
Li       9.24782646       5.17939727       8.16910642       0.59301181       0.75845089      -0.56475342
Li       2.14313168       2.20080814       9.32139568       0.53938501       0.85225917      -0.88725539
Li       7.08643040       3.95279089       5.00804082       0.12543659       0.50559512      -0.38415497
Li       9.76182045       2.81585314       8.18477284      -0.46615875      -0.84829190      -0.48935302
Li       2.18775935       6.36598145       5.23268477       0.81365015      -1.75189664       0.62459470
Li       8.23697786       6.45147762       0.36589962       0.62890303      -0.14418629       0.15285366
Li       6.83427179       3.89703337       1.92348681       0.14580587      -0.31255312      -1.34160986
Li       2.66937403       7.18619562       0.72268476      -1.82189252       1.08562446      -0.00550912
Li       8.23377963       0.45849489       9.37711384       0.40331832       0.15478532       1.69158929
Li       9.62957751       2.71786909       4.53970127       0.00604929       0.20385742       2.24798970
Li       4.58072723       0.70409958       2.62056405       0.54535774       0.46982151      -0.12550425
Li       5.74268993       1.45388765       7.46916552      -0.29404677      -0.41328309      -0.01969386
Li       4.47976144       3.79381406       1.38537656       0.98547955      -1.49466679       0.08659777
Li       3.50148563       4.71653901       8.97267993       0.61611510      -0.22994389      -1.83228067
Li       5.88002701       5.38678061       7.11557861      -0.49768570       1.04673472       0.51568615
60
Lattice="9.75255 0.0 0.0 0.0 9.75255 0.0 0.0 0.0 9.75255" Properties=species:S:1:pos:R:3:forces:R:3 energy=-457.33762456 stress="-0.14061709444212608 0.008823456681661748 0.0017651595668571624 0.008823456681661748 -0.14605990062640667 -0.0026812638221215515 0.0017651595668571624 -0.0026812638221215515 -0.12535505820807444" free_energy=-457.33762456 pbc="T T T" config_type=melt 
Cl       3.14587030       2.21548678       1.40966283       1.05697156      -0.29050627      -0.85039023
Cl       5.67949502       8.79275279       3.68178268      -0.13610779       1.43689872       0.37483862
Cl       5.82288676       3.36999365       6.47019276      -1.20544635      -0.55068780      -0.56899541
Cl       6.06118057       8.63122131       6.92654383       0.33706484      -0.23089657       0.62663893
Cl       4.12669401       6.31065080       6.95843467      -0.95910949      -1.23994308       0.10551751
Cl       5.20347305       3.82362376       3.42608057      -1.03376887       0.54844726      -0.55398309
Cl       3.43913923       5.71120056       0.72466518      -0.45620188      -0.42624216       1.32886778
Cl       6.41539318       1.36412818       1.50929489      -1.43647481      -0.57047575       0.96006766
Cl       4.12764976       1.39345410       8.09321213      -0.79343238      -0.10719243       0.57183270
Cl       3.77388576       1.55331790       4.78507890       0.73488176      -0.92147273       0.96560592
Cl       7.86435879       1.37522658       7.57311839       1.50480608      -0.42986499       0.37858849
Cl       6.82510756       6.16779544       1.75689262      -0.34674077      -1.11438817       0.81323069
Cl       1.85769498       8.44175852       8.45168661       0.96242149      -1.91316175       1.26246269
Cl       5.61316793       3.95587809       9.48761223       0.88310206      -0.50284699      -0.61556130
Cl       0.59831114       6.20376285       1.10195038      -1.34959222       2.87987901      -0.00577447
Cl       1.88178378       8.10345231       4.45709090      -0.53583251       0.33279219      -2.22788639
Cl       8.31926649       3.74159507       3.17976041       0.45881110      -0.26427724      -0.09193997
Cl       0.86040897       1.83089497       3.32122115       0.76659929      -1.03654904       0.02120887
Cl       8.59308884       0.00565648       4.91825973       1.13068401      -1.34880045      -0.89818447
Cl       1.12127018       1.07773480       6.97316102       1.60452435       0.30537522      -2.13159584
Cl       7.81808294       8.63169918       0.23260027       0.12147467       0.86382458       0.84836513
Cl       7.65880430       5.96166555       8.11300981      -0.27377278       0.56111225       0.64086386
Cl       0.69171521       1.03354599       0.20480355      -0.05232390       0.29486997      -0.14034776
Cl       8.73167257       3.43537475       9.73598383      -1.57835905       0.72952511      -0.24245497
Cl       3.77752346       8.90479009       1.48704932      -1.23487910       0.67455888       0.95707022
Cl       1.79033412       4.93981286       3.93152598       2.50380692      -1.14602584      -0.40765222
Cl       6.73389196       6.16762965       4.99553893       0.24151446       0.31312963      -0.15607672
Cl       0.44615381       6.51367938       6.55405494       0.05965087       0.44627613       1.15026566
Cl       1.63530758       4.26165955       8.55922798       1.73429975      -0.17886124      -0.14623219
Cl       9.17311199       3.77897659       6.34963174      -0.14351140      -0.49743793      -0.81985230
K        3.43144447       8.83392806       6.28568427       1.36835647       1.28056819       1.23036698
K        6.62434157       1.67251356       4.39708346      -0.00746375      -0.46468719      -0.01841354
K        9.42726345       6.20867813       4.12100827      -2.32865259       0.87126704      -1.34492245
K        5.18344131       7.44788590       9.66853178       1.82776273       0.20822043      -2.33035740
K        9.09956801       8.73105816       7.60284417      -0.58999035      -0.46749164      -0.35540361
K        4.37126846       6.54920792       3.36731170      -0.82311868      -0.73965612       0.13812023
K        1.03336069       3.81542187       1.48048585       0.12738490      -1.11661551       1.02091038
K        2.72774922       3.67749155       6.14258510       0.30355105      -0.36789039       0.40274807
K        0.42611427       8.94284454       2.03941425      -0.22978603      -0.13391315       0.97422048
Li       7.10230429       8.21765467       5.14190520       0.13643434       0.24066477       0.42214519
Li       1.94967128       0.58910278       4.82130963      -1.08001573      -0.54396188      -0.10977809
Li       7.20218991       8.08881373       2.39866893       0.14126800       0.83155497      -0.37455858
Li       2.32630501       2.41168858       8.97093188       0.60653082      -1.37243724       0.26046638
Li       7.33474657       3.29246088       7.89461120       0.30396216       1.60734634       0.76946071
Li       9.69374212       5.20434103       8.14393515      -1.31538342       0.34037850      -0.21224013
Li       0.01281826       2.22286946       8.26648569      -0.43603014       0.82618575      -0.27382377
Li       7.02468374       4.13663186       4.81656989       0.35770527      -0.02941014       0.02576779
Li       2.20523685       6.27777495       5.65191481       0.98160017       0.11136598      -0.18609398
Li       2.36271128       7.51393992       0.69695526      -0.74796438      -0.29931700      -0.57443030
Li       2.85300122       0.12268708       9.55239842       0.28400196       0.89105888       0.03170213
Li       7.04538841       3.40363995       1.42152194      -0.16509151       0.92376832       0.34312253
Li       8.33899590       6.50850078       0.38733033       0.12359836      -0.22343073      -0.53184760
Li       2.93213342       2.88609163       3.42789454      -0.43321732       1.07223840      -0.07995299
Li       0.04593451       1.91751712       5.16668643      -1.21600287       0.56735181       1.18048802
Li       4.18510203       0.90246099       2.83452014       0.91884764      -0.81212001      -0.95854385
Li       7.94465154       1.32622977       0.26041942       1.39864544      -0.61162046      -1.04031836
Li       6.10110751       0.73152805       7.78512908      -1.99881839      -0.28981790       0.60647252
Li       4.39188535       3.93026790       1.40976036       0.36047369       0.01097550       0.46781207
Li       3.88313382       4.76512519       8.66043019      -0.39105374       0.16540635      -0.78141151
Li       6.06679804       5.35769013       6.87792737      -0.04259403       0.90695956       0.14979529
60
Lattice="9.60907 0.0 0.0 0.0 9.60907 0.0 0.0 0.0 9.60907" Properties=species:S:1:pos:R:3:forces:R:3 energy=-451.63140664 stress="-0.1588338630062726 0.017411115808237863 0.007838810794610742 0.017411115808237863 -0.17720820862947897 0.00651210024197602 0.007838810794610742 0.00651210024197602 -0.16859275699275017" free_energy=-451.63140664 pbc="T T T" config_type=melt 
Cl       3.01663300       2.20419574       1.48142071       0.53945566      -0.73365131      -0.53946875
Cl       5.41002172       3.60668755       3.42395187      -0.83109018      -0.34746349       0.11897440
Cl       3.76747612       6.18756845       7.07873282      -0.99398595       0.22345802      -1.59333543
Cl       5.27034428       3.91806947       9.44335198       0.52746013      -0.83194920      -1.12775237
Cl       3.66132472       8.90723314       1.43077130      -1.11228996       1.61735685       0.61433042
Cl       5.59546716       8.63961093       3.47275633       0.41124317       0.72958404       0.43869083
Cl       6.00013393       8.80898040       6.76604407       0.58327412      -1.85488360      -0.05899028
Cl       6.49207987       1.44427205       1.46256772      -0.77292367       0.35856328       0.74099261
Cl       3.54009670       5.85600748       1.15968983       0.19147798      -1.60914697       0.35957531
Cl       7.38230255       1.54704105       8.06248057      -1.04827975      -0.89937179      -0.56537284
Cl       8.31382502       3.75297603       3.31166988       0.48599449      -0.07883419      -0.87228128
Cl       8.81553378       3.56366775       6.15824156       0.09571690       1.58527504       0.90270376
Cl       6.87462656       5.93090058       5.01781792      -0.10763256      -0.43369725      -0.30615554
Cl       7.05643016       6.01674801       7.91398201       0.26135930       1.37378427       0.08106372
Cl       8.40283383       3.90069627       0.15691611      -0.46271133      -0.69551756       0.07752209
Cl       8.11565717       8.30278420       0.27589850       0.41898720       1.55097133      -0.33204685
Cl       8.62926196       9.05241657       4.28496298       0.19581109      -1.23177854       0.24440800
Cl       6.69624378       6.22293943       1.69089844      -0.76622612       0.56897280       1.80726160
Cl       3.73441131       1.07505314       7.87180780       0.58751179       0.64972463       0.07411575
Cl       5.63851579       3.15834756       6.47451449      -0.81994402       1.08048865      -0.57295753
Cl       0.40097400       1.32353408       9.48059481       1.43112693      -0.42744692       1.24925001
Cl       0.51225183       1.69700020       3.38603448       2.61620404       0.65952332      -3.55754024
Cl       0.84969258       1.22109179       6.57112408       0.80788378      -1.64932240      -0.97305443
Cl       1.73964525       8.17549285       8.55780891       0.00769353       0.22428998      -1.18915276
Cl       2.19154059       7.66743249       3.86142400      -0.53550757       0.57637271       0.48150730
Cl       0.49385623       6.33618232       0.84298065       0.26448448       0.22960310       0.50920923
Cl       2.36247634       4.41237924       4.01676422      -0.60359112       0.89092228      -2.08107708
Cl       3.76228722       1.25174472       4.70593633       0.91468604      -0.78250653       0.44720960
Cl       1.70047868       3.90221450       8.55203386      -0.27841644       1.43068649       0.13463993
Cl       0.52231541       6.39340433       6.56086160      -0.01189723      -1.57689888      -0.73017261
K        6.81684722       1.34806604       4.43564280      -0.66515651       0.46697753       0.28251917
K        9.24420400       6.31932801       3.62719331       0.25715823       0.07310903      -0.13421380
K        0.94770318       3.82155597       1.57109255       0.25711893       0.12611468       0.80208611
K        2.57486562       3.28696497       6.22102723       0.83249587      -0.47112880       1.03652173
K        5.45897993       7.94449080       9.55693119       0.12366722      -0.37319951      -1.78289960
K        8.98712294       8.51904593       7.22414687      -1.34427186       1.56585035       0.29674409
K        4.52552604       6.24912415       3.54905235       0.04212103      -0.29959239       0.68485700
K        0.77531070       9.19138295       1.90429667       0.04178682      -1.45283820      -0.60099525
K        3.30523181       8.60604645       6.26715076      -0.79559877       0.18715234      -0.55129485
Li       5.60232804       1.07763798       6.99740165      -0.06260259       1.59815262       0.39507465
Li       7.16557959       9.09186181       1.96804324      -0.15519194      -0.69116013       1.21646552
Li       3.35701509       2.77025644       8.97024942       0.75030737       0.03775858       0.71417918
Li       1.74370989       0.59015737       4.51669531      -0.08269209      -1.86269021       1.17719359
Li       7.17182549       3.99142511       8.12942697      -1.39194034      -1.74841200      -0.75045820
Li       9.13815831       5.07593357       8.12645776       1.49892492       0.55756037      -0.88210021
Li       2.65826273       2.40479469       3.53274576      -0.70458143       0.91787988      -0.80498355
Li       4.38475317       3.78491658       1.65980349      -0.54190748       0.71922176       0.14475064
Li       2.61224490       0.25845612       9.27480889      -0.82699149       0.29489601       1.41985888
Li       2.07158097       5.92712421       5.32452021       0.36638167       1.01101623       0.40431906
Li       5.46917515       5.37503509       6.54069216       1.30946570      -0.70796925      -0.27501815
Li       6.91460990       4.21067526       1.77178759      -0.28043610      -1.22939222      -0.09121093
Li       8.02698467       6.05030288       0.22143814       0.64740711       0.51556497      -0.01270668
Li       9.17379835       2.44497982       7.92889528       1.21585520       0.33511901       0.06405771
Li       6.79876295       7.85795152       5.11449477       0.36924982       1.61627484      -0.51349368
Li       9.20399005       1.91355020       4.93579490      -1.40739209       0.15038904       2.94504981
Li       3.74892101       5.27264085       8.77809684      -0.67963396      -0.96933139       1.26744402
Li       8.01982591       0.91108205       0.29139985       0.68100375      -0.30390047      -0.47394227
Li       2.51557765       7.40130929       0.58637908      -1.16003075      -0.06479519       0.53714463
Li       7.07073807       3.88981880       4.96078809      -0.44272269       0.07536782       0.16382171
Li       4.61697556       1.15446250       2.65201684       0.15233172      -0.67110344      -0.46086687
60
Lattice="9.53387 0.0 0.0 0.0 9.53387 0.0 0.0 0.0 9.53387" Properties=species:S:1:pos:R:3:forces:R:3 energy=-450.09935225 stress="-0.18250616303088674 0.00814584574544804 0.004897423560008048 0.00814584574544804 -0.18371810972564656 -0.0028923039569046746 0.004897423560008048 -0.0028923039569046746 -0.17949351483883544" free_energy=-450.09935225 pbc="T T T" config_type=melt 
Cl       3.15800863       1.93187668       1.38693020       0.47137802       0.15268419       1.02019848
Cl       3.36782051       1.14446482       4.52209568      -0.10865156       0.26240984       0.51278477
Cl       5.71446820       3.20359960       6.33986147       1.92995941      -0.32596103      -1.15998351
Cl       3.99378581       1.16127304       7.91665870      -1.78880650      -0.81584273       1.13045237
Cl       5.00594912       3.63720001       3.32778779      -0.30669555      -0.52411543       0.21247904
Cl       3.95676580       5.99566017       6.89972846       0.07115712       1.00849228      -0.68197897
Cl       5.21607562       3.92137607       9.12665934       0.15869919      -0.34749762       0.00314989
Cl       3.78290614       8.38861387       1.56751124       0.19736272       1.20278730       0.71346684
Cl       5.55442313       8.72134593       3.61275516      -0.45584260      -0.67813917       1.72879769
Cl       6.24565730       8.64615230       6.66552894      -0.30636216       1.09660811      -0.35763008
Cl       7.50972453       1.61594330       8.11372379       1.26019411      -0.85287803       0.38133883
Cl       8.17524586       3.88699693       0.34762969       0.18315107       0.04718847      -1.12715720
Cl       8.08211901       3.53699903       3.07568367       0.61985461       0.79807824      -0.38419625
Cl       8.86211352       3.75678334       6.10206769      -0.79392859       0.78032029      -0.21157331
Cl       6.23787767       5.89401958       4.84773455       0.11660610      -0.79330003      -0.06797584
Cl       7.36989126       6.07688874       7.73093891       0.69531647      -0.04432206      -0.16059742
Cl       7.84372459       8.61449031       0.22697189       0.96410280      -0.74378038      -0.02302260
Cl       8.64201460       8.68778671       4.05766274      -1.89143549      -0.07615174       0.16150221
Cl       6.38066644       1.19344031       1.57543388      -2.08494815       0.53309066       0.38028406
Cl       2.26431319       8.06681715       8.68812039      -0.44464794       1.30584771      -2.08586497
Cl       6.27359154       6.30686475       1.94017115       0.94311621       0.59189422      -0.90430556
Cl       1.67308931       7.63070934       4.25055200       1.48081193      -0.30802273       0.47403194
Cl       0.44779443       1.58545398       3.17861133       0.31467146       0.08262045      -1.11597979
Cl       1.07399999       1.38256369       6.33498967       0.77964003      -0.28617778      -0.03373807
Cl       0.73070249       1.28016039       9.47034582      -0.03999330      -0.71202566      -0.26129263
Cl       0.73524824       6.36615589       7.12127653       0.13364705       1.41089753      -2.79086978
Cl       0.18210836       6.28209576       1.20599642       0.19752843       0.99378420      -0.02051575
Cl       3.16086879       5.42770846       0.84522238      -0.11537558       0.78783341       0.28644914
Cl       1.56486082       3.82320581       8.22559422      -0.29418596       0.99921846      -0.14664099
Cl       2.02943677       4.49244535       3.95273297      -1.19936061       0.62726250       0.78113420
K        8.82562740       6.06041421       3.89658801       1.01411241      -1.04961749       0.17077450
K        1.08578385       3.71371885       1.40783798      -0.74271225      -0.07026945       0.77370977
K        6.98555235       1.34555321       4.22492496      -0.08446795       0.65119990       1.48550738
K        3.44918256       8.74976640       6.21954403      -0.21883116      -1.25497017      -0.10629196
K        5.31196728       7.65666053       9.00522644      -0.36298661      -0.21438450       0.16455288
K        8.95339079       9.03442869       7.14271820       0.13699536      -1.63476744       0.69291212
K        0.98895787       9.02504736       1.89928991      -0.38638966      -1.44776958      -0.75635820
K        4.06588094       6.30786581       3.39458208      -0.89180329       0.39473317       0.26527049
K        3.24285054       3.31593719       6.21860018      -1.16118886      -0.12327919      -0.47414100
Li       7.20067460       8.63740974       2.31189674       0.00722061      -0.15172395      -0.86239181
Li       0.77875796       0.16764262       4.65042157       1.27068158      -0.25518531       0.29415996
Li       7.43132751       3.64238643       7.87589187      -0.93946215       1.18119564      -0.35971310
Li       2.98978350       2.76380218       3.36545611       0.07179256      -0.14778323      -0.27670148
Li       4.21782222       0.57350995       2.81802129       0.93357060      -0.01177257      -1.40713285
Li       0.58200367       2.85486017       4.66195756      -0.06371638       1.04629843       1.04112400
Li       6.93774000       3.98977205       4.63188773      -0.42227422      -0.41026355       1.21858651
Li       2.27676443       7.28816692       0.90335611      -1.27916035      -1.69042536       1.20227202
Li       2.96062892       0.33238122       0.13376020      -0.09471501      -0.83986085      -0.75374560
Li       2.31062873       5.95003106       5.75651257      -1.54170223       0.24550023      -1.27058586
Li       7.53519903       6.12723711       0.23124592       0.58286979       0.36956523       1.02821002
Li       9.49666884       2.43323430       7.84189409      -0.18383703       0.12981859      -0.19537577
Li       5.77515129       1.29903746       7.33652271       1.00619199      -0.49957727      -1.35313967
Li       2.97597845       2.59146794       8.90320450       0.70067177       0.30412505       0.66461558
Li       8.12874917       1.50211842       0.70673911       1.11650313       0.14478257      -0.56132050
Li       4.11167211       3.75715516       1.41372038       1.11953716      -0.14003398      -0.22491783
Li       6.84431760       7.69664558       4.86953851       0.58585953       1.95161948       0.49920043
Li       2.60960136       5.73973296       8.29555376      -1.25339851       0.29924694       1.29628511
Li       5.75047763       5.35799680       6.71767921       1.22052535      -1.18374231       0.63868164
Li       6.44757514       4.23057854       1.74611876       0.24746542      -0.88303320      -0.44637311
Li       9.50788887       5.38487278       8.59547024      -1.07431433      -0.88242928       1.35957963
60
Lattice="9.21081 0.0 0.0 0.0 9.21081 0.0 0.0 0.0 9.21081" Properties=species:S:1:pos:R:3:forces:R:3 energy=-432.89672569 stress="-0.26327797668735026 0.012904356031407148 -0.0026300291898504777 0.012904356031407148 -0.25674808527327125 0.008798144010465891 -0.0026300291898504777 0.008798144010465891 -0.28691319344709293" free_energy=-432.89672569 pbc="T T T" config_type=melt 
Cl       2.90366180       1.60974563       1.60621789      -1.75377793       0.29983799       0.73283432
Cl       3.71887375       1.11639623       7.45438222      -0.12647696       0.20291053       1.02936523
Cl       4.39566565       3.23689969       0.21980493       2.37369776       1.48604035      -1.88242409
Cl       5.02165071       3.75546830       3.55272916      -0.52174330      -0.05864880      -1.21517329
Cl       8.10151531       8.97539091       5.04151843      -0.42009007      -0.72838080       2.07710069
Cl       5.26228313       3.28499854       6.35231801       1.18699516      -0.05403808       1.17744218
Cl       4.38596666       8.63211323       0.74597153      -1.08756474      -1.82004299      -1.16482856
Cl       5.70064400       8.49504717       3.51095813      -0.17057719      -0.74277872      -0.70003518
Cl       5.34594491       7.86174871       7.28277562       1.95686538      -0.02417998       1.13524779
Cl       6.40149453       1.53837106       1.77778765      -1.74862246       0.61798513       0.50137342
Cl       6.89739533       1.30479413       7.83368338      -0.89794459      -1.46279218      -0.60307761
Cl       7.87854923       3.54045115       0.41436671       0.50663314      -1.56575080       2.22189784
Cl       6.12718740       6.15465403       1.99226136      -1.52185222      -0.57232773      -0.24474278
Cl       8.03560275       4.16136106       3.31312836       0.73336025       0.30555401       0.02538945
Cl       8.73263080       3.47150823       6.20427266      -0.93339625       0.81778154      -1.41847638
Cl       6.74200896       6.02768302       5.24319833       1.28479960       1.66311939      -1.26027527
Cl       7.17577364       5.38384740       8.14406004      -0.82930576       1.09042305      -1.66034990
Cl       7.99537914       8.40024030       0.62435015       1.18964077      -0.09958798      -1.08543725
Cl       3.83682738       1.30394674       4.54183199       1.90840829       1.64992137      -0.27662285
Cl       1.83054717       7.58607838       7.64858294       0.98256948      -0.90116072       1.25844494
Cl       3.71033533       5.64833581       6.21107024      -0.66638944      -0.35617616       1.16257565
Cl       1.65133244       4.36011192       8.17366358       0.32383645       1.64812350       1.58193501
Cl       3.08257257       5.37202072       1.70886316       0.05033011       0.01951668      -0.18762836
Cl       2.55542870       8.45620518       3.22505459       0.30516782      -1.81326574      -1.17268790
Cl       0.94216454       6.26970626       4.97004255      -1.38468272       2.01801538      -0.83348133
Cl       0.52134474       6.30937722       1.18732867      -1.35269619      -0.95776432      -0.70885140
Cl       1.86294159       4.00618654       3.88303801      -0.04084539      -0.90052052      -0.88734624
Cl       0.62891779       1.34919945       8.47569525      -1.07420805       1.37102339       0.74803220
Cl       1.27430635       1.03251338       5.52772946      -0.09906434       0.31823926       0.71516019
Cl       0.09153445       1.13707449       2.76922082      -0.53776444       0.48184605      -1.31569907
K        6.60119410       1.76796893       4.35604074      -0.05970889      -0.05065070       1.02562903
K        3.49230624       8.22436909       5.61207285      -0.78942131       0.08937072       0.27926952
K        2.60528682       3.25479630       6.13064145       0.90232913      -1.37195742       0.10893613
K        4.09378135       6.15241580       3.80940680       1.14643831       1.31479805       0.31527994
K        8.49679722       7.36351758       7.33593120      -0.91044336       1.05266778      -1.37096012
K        4.54322282       5.68649619       8.94650581       1.03441015       2.46374239      -1.66148690
K        1.56631666       8.77392286       0.86315882      -0.22109171      -0.49135143      -0.10322095
K        8.30969804       7.13335786       3.12534757      -0.91027615       0.29828626       1.39669205
K        0.93470379       3.67040647       1.49034590      -0.13915581      -0.86217345       0.78097656
Li       6.55856647       3.34148844       8.07368945      -0.97082683       0.06075138      -0.64200649
Li       2.11656124       1.92201051       3.56107415      -0.20207878      -0.62070583       0.08207955
Li       6.25719798       8.62042471       1.38381367      -0.89362673      -0.38029115       1.03892273
Li       7.53994143       6.23821450       0.70076027       1.49454437       0.30987877      -0.54206081
Li       6.49589612       4.09928020       4.92086603       1.02868304      -0.27358138      -0.08058291
Li       6.12548340       8.07702376       5.33140104       0.95605035      -0.28467080       1.90510156
Li       1.90149804       0.31591236       7.38285107       0.35240864       0.46445740      -0.77474764
Li       1.78101143       6.52168639       2.85780118      -0.44087768      -0.47589358       0.98335878
Li       6.52724051       3.99170715       1.89329121      -1.24756836      -0.31615523       0.39792869
Li       8.52543363       1.42279382       6.61444846       0.57897655      -0.86208725      -0.51452065
Li       7.87979269       1.32022224       0.49190423       1.39529504       0.03843113      -0.27386187
Li       1.76827288       5.76717368       6.66629611      -0.31890836      -0.15998129       0.32581365
Li       9.11702553       3.37937250       8.12709373      -0.04500833      -0.33803179      -0.24196022
Li       5.62941680       5.45015602       6.75340274      -0.01978412       0.08318908       0.50486063
Li       3.65889295       3.39997708       2.06726499       0.24112865       0.55472887       1.40962378
Li       2.20233230       6.20432793       0.11856799       0.02632747       0.38460879      -1.47160101
Li       5.09359635       1.39121916       9.13107202       0.26214268      -1.62150865      -0.30664189
Li       4.43976700       0.58064578       2.58086896      -0.18752652       0.26108468       0.09698186
Li       0.85569530       8.85353189       4.12009663      -1.27460388      -0.52381139       0.61566375
Li       2.38347209       2.54902719       9.05835267       0.81512124      -0.74895619      -1.31005764
Li       9.15414510       2.68901308       4.25099145       0.76174899       0.07289015       0.27692947
60
Lattice="9.46362 0.0 0.0 0.0 9.46362 0.0 0.0 0.0 9.46362" Properties=species:S:1:pos:R:3:forces:R:3 energy=-447.67509267 stress="-0.20623514572008414 0.005765873144115224 0.005474312398604688 0.005765873144115224 -0.18441121580745015 0.014800074612348257 0.005474312398604688 0.014800074612348257 -0.20700410543027195" free_energy=-447.67509267 pbc="T T T" config_type=melt 
Cl       2.98658598       2.14068031       1.08701978      -0.15881063      -2.66685160       2.33703614
Cl       3.21814184       5.26431843       1.41071344      -0.53052926       1.53009168       0.14617986
Cl       5.36533311       3.49948579       0.07509032       1.43645540      -0.16374043       1.14540823
Cl       5.00203421       3.71158445       3.71330682      -0.43828098       0.32101758       0.01110975
Cl       6.69825560       6.43596191       4.86025971       1.14553502       0.31525040      -1.51962772
Cl       5.53366252       3.89577488       6.75197111      -1.09921244      -0.35038397      -1.11678821
Cl       4.42229284       8.81469958       0.86003959       0.80949516      -0.95554726       1.11195652
Cl       5.65533628       8.99345789       3.92903004      -1.54003220       0.16066856      -0.70863095
Cl       5.57755479       8.07525963       7.22027834      -0.27446525       0.03380907       0.69175894
Cl       6.64765362       1.45733123       2.03306948       0.93884101       0.95883495      -0.22426432
Cl       7.08806211       1.12039797       7.67885698       0.25932735       0.39210276       0.87989926
Cl       8.30833912       3.35467348       0.21789701      -0.67528414       0.07920563      -0.05963280
Cl       6.42021444       5.85297453       1.92057543      -0.48257471       0.01987530      -0.54885156
Cl       8.20973767       3.94934843       3.72244868      -0.36012927       0.32550112      -2.04430939
Cl       8.56522909       3.44936646       6.40876346      -0.91295065       2.45709363      -0.66031531
Cl       7.40159184       5.94657919       8.12584268       0.31659746      -0.60362796       0.97962073
Cl       8.12394995       8.51415393       0.80892279       0.33794354       0.81458754       0.53124366
Cl       8.38944235       9.16309328       4.86720601       2.02875512      -0.07570025       0.09325476
Cl       3.96309907       1.43315169       7.53913609       0.84823486      -0.67597031      -0.07728563
Cl       3.39774242       1.29200179       4.17287914       0.10873825      -1.39259920       0.20542109
Cl       3.67839553       6.01378982       5.79698775       0.78780285      -0.17113309       0.06798342
Cl       0.32137791       6.39063117       6.37602880      -0.25726933      -0.92943911      -1.57676225
Cl       0.23077605       1.45765300       2.78944931      -0.04375389      -0.93419894       0.45652036
Cl       1.18849818       1.30864830       6.44728040      -1.03127044      -0.45685460      -2.30142050
Cl       1.82669632       7.99002080       3.81541928       0.12384073      -0.12454573      -0.43845334
Cl       0.65194310       0.94521122       9.21943968      -1.23464637       0.64728350       0.60544367
Cl       1.68512057       3.88230815       8.10079247       0.85469991       1.52252634       0.70622263
Cl       2.42853524       7.68848148       8.24566157      -0.36719555       0.39734670       1.28348987
Cl       0.43215526       6.21615987       0.95798333      -0.51082596       0.07826276      -0.00542852
Cl       1.56215029       4.39235941       4.00681154       0.02211334      -0.00387785      -0.78027837
K        6.79952580       1.91061024       4.91912343      -0.73448786      -0.71504675       0.25763838
K        8.81769008       6.65295325       3.36463867       0.43196344       0.63773131       0.73366434
K        0.94018699       3.65220969       1.49251697       0.24737199       0.51829513       0.41823477
K        3.23137198       8.79250739       6.03617128       0.77488259      -0.21633509      -1.39067805
K        4.40377254       6.73395237       3.30487591      -0.81051822       0.06003556      -0.13038877
K        8.70318974       8.29433297       7.67328290       0.12712026       1.41592905      -0.28299365
K        4.65909154       5.91372150       8.64788435       0.24258127       0.63560294       0.62451500
K        1.82059229       8.65942050       1.28127951      -0.61185709       0.21401619       0.68116636
K        2.99451649       3.26717285       5.78510144       1.16643724       0.65385708       0.92880480
Li       1.84612514       6.26004268       4.84272363      -0.59314431      -0.38683098       0.09041054
Li       2.14290426       2.31568157       3.10198536      -0.36046209       0.95345329      -0.86594005
Li       6.63959062       8.40607939       5.51275739       0.41037508      -0.15712283       0.84975434
Li       5.27220163       0.15462325       8.66816488       0.90300554       0.72356898      -0.52251358
Li       6.44579461       8.70044529       1.89091645      -0.80905206      -0.20533805       0.53239956
Li       7.88019549       6.52163606       0.82429644      -0.27643518      -0.34745277      -1.64891615
Li       1.22386373       0.46688296       4.42527388      -0.63706294      -0.38123144       0.13448047
Li       9.24728165       4.90701946       8.72418951      -0.05082983       0.85606994      -1.35472984
Li       7.00768758       3.46865332       8.04865739       0.15622124      -0.26596230       0.06428489
Li       3.60267711       2.86736330       8.90930739      -0.50607965       1.06128856      -1.68313888
Li       4.17352267       3.61398613       1.88890070       1.09939116      -0.45049112      -0.28063061
Li       0.17552271       2.71561415       4.76861402       0.10902241      -0.15032959      -0.27251443
Li       7.00350466       3.70046469       1.89344324      -0.69407670      -0.00873125       0.36289837
Li       2.13836172       0.48628433       8.01196694       0.98477847      -0.55622111       0.49123221
Li       9.36146969       2.45163593       7.78019342       0.80555500      -1.78783538       1.87812042
Li       2.02134406       5.87520457       9.35793029       0.71825831      -0.29295073      -0.89257642
Li       5.93157935       5.95001448       6.47188581      -1.03809865       0.15763377       2.39675644
Li       2.14804300       6.06535709       7.06692984      -0.37758867      -1.17193629       0.51100724
Li       7.97003364       1.27991675       0.42285536       0.22282315      -0.81896534      -0.51600937
Li       6.53195141       4.41405949       4.94889598       0.57333690      -0.31203877      -0.10361628
Li       4.78939613       0.98668648       2.54176745      -1.57457975      -0.21164923      -0.20122205
60
Lattice="9.40841 0.0 0.0 0.0 9.40841 0.0 0.0 0.0 9.40841" Properties=species:S:1:pos:R:3:forces:R:3 energy=-444.95368281 stress="-0.22360156155013594 0.009736031688073925 -0.00621313252906505 0.009736031688073925 -0.19774126824532431 0.009474988832641942 -0.00621313252906505 0.009474988832641942 -0.21448865460189345" free_energy=-444.95368281 pbc="T T T" config_type=melt 
Cl       8.26162831       3.41925140       9.40060535      -0.63973027       0.34903487       0.67703145
Cl       4.34698649       8.75352821       0.94180066       0.54047144      -1.36249870       0.21125100
Cl       3.72259736       6.19037626       6.10276515       0.61773690      -0.35709222      -1.55268853
Cl       5.50390103       8.93922200       3.84634618      -0.05876703      -1.21011304      -0.39925587
Cl       5.05308766       3.74457541       3.46618996       0.44860513       0.48335629       0.16567887
Cl       3.03695948       5.57481222       1.59801844       1.02100114      -0.45965327       0.85167235
Cl       5.49164187       8.14719382       7.37681440       0.44378018      -0.80814262      -1.03700131
Cl       3.95195558       1.27575217       7.50771360      -0.33023843       1.33756496      -0.25551693
Cl       7.33794825       1.02701263       7.77721751       0.01143450       0.39255998      -0.55066097
Cl       3.58267549       1.37796514       4.36271735      -0.18555506      -0.22311507       0.15681068
Cl       2.93364573       1.98652932       1.49922073       1.25619914      -1.46859534      -0.60446007
Cl       6.68234202       1.32634119       1.88748699      -0.75603191       1.11157332      -0.38175788
Cl       2.35645859       7.63036164       8.39020364      -0.64043400       1.80615077      -0.80426098
Cl       1.85855613       7.83540852       3.91289186       1.07126893       0.55091884      -0.10996904
Cl       5.46813026       3.69823899       6.39419065      -0.81112232      -0.06343292       2.07478270
Cl       5.06838573       3.33358783       9.39044935       0.76854089       0.07202553      -0.09183970
Cl       8.34757414       3.95108060       3.04971728      -2.87585857       0.16299044       0.00135991
Cl       1.80400617       4.15930753       8.25944556       0.07818375       0.20547147      -0.18533876
Cl       0.48851664       6.18796771       5.92060892      -1.58508628       0.29165679       1.04605096
Cl       8.27757557       3.69153079       6.36589015       1.48936942      -0.01632734      -1.19569295
Cl       6.87655042       6.32747561       4.80648383      -0.57413970      -1.20840129       0.48419171
Cl       1.50516684       4.30131807       3.86760918       1.04060254      -0.84918526       0.33592617
Cl       0.31514881       5.92693137       0.97375162       0.67236157       0.66835390       0.40091613
Cl       7.42210648       5.98478369       8.19512026      -0.41421439       0.17550697      -0.91757306
Cl       6.15706108       6.15021176       1.62047631       0.11430697      -0.64962058       0.02851067
Cl       8.27842233       8.55560349       0.94408690       0.19545891      -0.60458881      -0.50862550
Cl       8.34570187       9.07988714       4.96110164      -0.77703491      -1.44486680      -0.02491348
Cl       0.25868706       1.15361219       2.89727282      -0.85488359       1.71755339      -2.04997830
Cl       0.83152845       1.02872496       9.01766932       1.26638096      -0.42819267       0.53818343
Cl       0.88692328       1.33198624       6.14462316       0.69129928       1.39294119       0.08847806
K        6.76224765       1.76475428       4.60985746      -0.36712803       0.38490040       0.58026612
K        8.80550027       6.69843040       3.29092069       0.51813898       0.59598767       0.23328230
K        2.91292841       8.90364880       6.11158083       0.21727487      -1.43486449      -0.67837362
K        4.48099988       6.54375614       3.47741419      -0.67317909       0.31040421       1.01123530
K        8.87762514       8.27999353       7.50865444       0.63373537      -0.21035974       0.24614301
K        0.96795604       3.42987350       1.37856728      -0.82908911       0.37728074       0.05299978
K        2.99522377       3.38996302       5.95467677      -1.07917247      -0.00550730      -0.56148092
K        1.37863313       8.53291041       1.58923098       1.38203959       0.05736510      -1.76961476
K        4.70424263       5.89662688       8.65011097      -0.23329654       0.09519114       1.05816045
Li       5.79334136       5.94253992       6.45264510       0.55964171      -0.12506564       0.89724397
Li       0.78418721       0.18534380       4.42629939       1.17995360      -1.05478108       1.38038517
Li       3.10725912       0.40595407       9.22265035      -1.55829820       0.13172620      -0.50061285
Li       7.86373725       6.56134987       0.77172953      -0.25355918      -0.12427096      -1.11534733
Li       3.20823018       2.68905530       8.74711168      -0.40792500       0.12706949       0.70405182
Li       0.00922024       5.39651344       8.47386323      -0.82912865      -0.83237039      -1.66613124
Li       6.85275655       3.08003118       7.92230460      -0.67077867       0.43488279      -0.29120922
Li       6.65814359       4.16673076       4.94681026       1.56704386       0.98458774      -1.89394542
Li       2.12556680       6.03179751       4.67873643       0.34946141      -0.40327452       0.16467621
Li       2.15179745       6.09111753       0.02408553      -1.08599698      -1.44449350      -0.01600305
Li       9.32305690       2.47653813       7.82207681       0.06036919      -0.07961060      -0.96842051
Li       4.56205333       0.91748933       2.40294555       0.38654633       0.14134956       0.57415545
Li       5.47608036       0.43669323       8.43829003       0.78908579       0.07644117       1.72496026
Li       9.27696510       2.67233655       4.45402597       0.22903770       0.38702130       1.04516287
Li       8.18141221       1.17041561       0.42886920       0.20034228       0.66586058      -0.14020955
Li       3.99270340       3.74190342       1.78617723       0.09367312       0.28642686      -0.35915935
Li       6.57666676       3.71218225       1.44546107       0.58138341       0.07978862       1.11499762
Li       6.54538379       8.23140850       5.45048949      -0.33505821       0.33418537       0.83916279
Li       6.37573135       8.39011897       1.53460576      -1.05512088       0.29353464       1.02465094
Li       2.06810024       5.87665283       7.05844321      -0.55575127       0.27123146       0.92299860
Li       2.02895184       2.25033173       3.43168932      -0.03815012       0.11553042      -0.00533559
60
Lattice="9.35483 0.0 0.0 0.0 9.35483 0.0 0.0 0.0 9.35483" Properties=species:S:1:pos:R:3:forces:R:3 energy=-441.40752358 stress="-0.2335048358358869 0.009152109205462201 0.00252277752497835 0.009152109205462201 -0.21374699443498457 0.01730220011334221 0.00252277752497835 0.01730220011334221 -0.227042499814013" free_energy=-441.40752358 pbc="T T T" config_type=melt 
Cl       4.86934805       3.71541106       3.62385534      -0.70650037       0.69519451      -0.59872578
Cl       5.88952032       8.84262499       3.73822749      -2.34225418      -1.14038124      -2.28234573
Cl       3.74207232       5.57995029       6.17836941       0.30266007       0.91060240      -1.06589045
Cl       8.28750003       9.05359512       5.03282370       1.45679834       0.11385028       0.06162832
Cl       5.22938739       3.71430719       0.15356328      -0.48989692      -1.93224408      -1.69365449
Cl       6.21899744       6.21534905       1.88685986      -0.89028595       0.55167772       0.16070474
Cl       5.80305363       8.23899523       7.38169055       0.18633953      -1.46324032       0.28909756
Cl       3.97086340       0.88142331       7.57260392       1.18638316       2.43988297       0.52084209
Cl       6.35775763       1.49520119       1.71916517      -0.45287214       0.67597930      -0.46523027
Cl       3.47316773       1.09212027       3.99326822      -0.63919388      -0.65526587       0.83519707
Cl       2.72606295       1.94022916       1.17928858       1.86738597      -0.47417257       0.27410817
Cl       2.28915497       7.75763310       8.24777006      -1.21576330      -1.03085992      -0.64470702
Cl       1.83609119       7.82599820       3.73700200       0.33350030      -0.22549882       0.47316983
Cl       5.51098648       3.31160982       6.39478405      -1.42156635      -0.14939187       0.19796802
Cl       7.96703161       3.45604840       0.35652473      -0.28469230      -0.34085180      -0.75291293
Cl       7.24204164       1.36501937       7.67589060      -0.00143608      -0.90813236       0.03323216
Cl       7.87028396       4.15438645       3.31629659       1.36644567      -0.79260680      -0.02755385
Cl       6.69809570       6.11455076       5.08619301      -0.41419167       1.19218312      -0.43899969
Cl       0.04970698       1.49772699       2.73271423      -0.60829842      -0.57421006       0.04759069
Cl       1.16634149       1.23105821       6.16552523       0.16454635      -1.13351091      -1.63714660
Cl       7.97497387       8.62705229       0.67457024       0.98147533      -2.42519191       0.77959982
Cl       2.07736161       4.05472945       8.16815110      -1.06637155      -1.08293337       1.18673226
Cl       7.42528405       5.73042273       8.16417530      -0.25675753       1.20067837       0.05512726
Cl       0.51395717       1.11052122       8.97234842       0.04457791       0.53372915       0.92301990
Cl       0.38927599       6.05489501       1.12067121      -0.03991654       1.98740419      -0.93117705
Cl       3.32046884       5.47458684       1.43313189      -1.67704559       0.96323693       1.11685666
Cl       1.43457254       4.23100251       3.90717572       1.23305496       0.20923144       0.38766177
Cl       0.42137990       6.26568739       5.81328781      -0.90358079       0.57268835       1.71854947
Cl       8.49229596       3.69482108       6.34263087       1.60204734       0.31227408      -0.22423177
Cl       4.32566404       8.49797435       0.76708203       0.00800879       0.09376249       0.94327511
K        3.51721963       8.39437896       5.90815514      -0.19727533      -0.35064499      -1.36652611
K        4.25385636       6.53102779       3.58109441       0.64497128       0.36879587       0.57130310
K        8.58668620       6.79975464       3.37643879       0.02719709       0.77173295       0.32404881
K        6.76376661       1.83606313       4.30657083       0.20338543       0.21270028       1.23093667
K        8.60699553       8.21300751       7.54999329       1.08266047      -0.22461144      -0.73233965
K        3.09066745       2.95181370       5.86237261      -0.33927547       0.48320428      -0.92875980
K        1.47902669       8.73136800       1.44116769       0.17492800       0.09079001      -1.28312518
K        0.79391542       3.66862755       1.34623488       1.70293402      -1.22125506       1.01681583
K        4.70108272       6.02146085       8.68277901      -0.09288709       2.03187869       0.33394723
Li       6.29529543       8.39143219       1.63007913      -1.42628035      -0.03446240       1.11667207
Li       0.82390701       0.29798501       4.20618415       0.33710910      -0.73026410       0.85154423
Li       6.45073528       8.24226942       5.43263978       0.68099922      -0.95758484       1.67430974
Li       0.10193865       2.66407784       4.58490509      -0.69003768       0.56914765       0.46390910
Li       9.20214046       4.78325555       8.50190337       0.24006336      -0.11238437      -0.43306841
Li       6.76119403       3.40261361       7.81360305       1.56367547       0.22860622       2.08385217
Li       2.08670709       0.56660054       7.99031579      -0.02219153      -0.90873065      -0.26591698
Li       6.89552939       4.08758361       5.25486059      -0.07698878       0.83967126      -1.83425894
Li       2.14313542       6.09145368       4.80579133      -0.00062947      -0.78157334      -0.58912166
Li       7.76916761       6.53927875       0.81079247       0.75869105      -0.16763243      -1.61183015
Li       2.10689481       5.99150668       9.33883324      -0.52896988       0.23588130      -0.38191229
Li       0.16632888       2.40615582       7.42790341      -0.65587625      -0.05298759       1.06711692
Li       1.93219336       5.61495606       7.02403669      -0.79118967       1.76991906      -0.37150912
Li       4.55724285       0.74219631       2.27624530      -0.77461414      -0.43201432      -0.18839630
Li       8.05927959       1.18927954       0.58822797       0.01313454       2.31367815      -0.26365199
Li       3.55129927       2.55853665       8.71810285       0.61258685       0.47035074       0.07743072
Li       5.65332958       0.69043978       9.10808700      -0.04939023      -0.14195414      -0.63176906
Li       3.96910469       3.67085400       1.72951162      -0.07467065      -1.52742811       0.88589003
Li       5.83803134       5.77204237       6.82478816      -0.26309487       0.04401604      -0.22795152
Li       6.37549439       4.16983128       1.86402472       0.25497918      -1.03481862       0.34417507
Li       2.03613488       2.31784623       3.16184835       0.36345619       0.12409051      -0.17359983
60
Lattice="9.33838 0.0 0.0 0.0 9.33838 0.0 0.0 0.0 9.33838" Properties=species:S:1:pos:R:3:forces:R:3 energy=-441.66380065 stress="-0.23173370934885634 0.00803692254201691 -0.005195669604667845 0.00803692254201691 -0.21870784994043524 0.010984844998681933 -0.005195669604667845 0.010984844998681933 -0.22669535901643836" free_energy=-441.66380065 pbc="T T T" config_type=melt 
Cl       2.92083048       1.82947269       1.46379107       0.45278430      -1.10031241      -1.10528390
Cl       5.86016963       8.66704386       3.66551026       0.13338530       2.21638373       1.04056621
Cl       5.36140676       3.44547935       6.48345047       0.84071731       0.22698690      -0.37217729
Cl       0.56739997       6.54061069       5.71599438      -1.03803247      -0.95197313      -1.36519482
Cl       3.53556670       5.51263248       5.92078506       0.90690216       1.12901032      -0.76239328
Cl       5.19436181       3.93199027       3.47435362      -0.00780678       0.96005814       1.34340579
Cl       6.22248010       6.16253704       1.82495291      -0.11653883       2.43225269      -1.11166084
Cl       4.02923082       1.10727973       7.57675064      -1.32138868       0.53773517      -0.50583869
Cl       5.65039226       7.91912367       7.30694617      -0.12115021       0.09004111       1.35151183
Cl       6.41090993       1.42628813       1.79301565      -2.25660192       0.87622659      -0.01401578
Cl       3.81498970       1.60904957       4.43324649       0.09224632      -1.37557386      -0.19089650
Cl       2.09223602       7.62673899       7.98814364       0.53944076      -0.41642767       0.77508684
Cl       1.99018621       7.98008461       3.55457964       0.23521783       0.67893762      -0.83170061
Cl       5.09874614       3.48151615       0.09758607       0.35103055      -1.38280357      -0.39658634
Cl       1.80198984       4.21529804       8.42661793       0.36697398       0.11313129      -2.14430803
Cl       6.99817263       1.19216561       7.90288423      -0.85575499      -1.09056079      -0.18370360
Cl       8.33795935       4.36551522       3.25749776      -0.65363511      -0.98528484       0.65671669
Cl       8.24904863       9.23818852       5.17128668      -0.48146215       0.31212064      -0.66982150
Cl       6.72660320       6.25959082       4.94307535       1.20097178       0.60120297       0.54927825
Cl       9.30933568       1.32552701       2.50960558       0.11466724       0.05875517       1.26343033
Cl       1.31553494       0.64721790       6.06625834       1.18052953       0.10790371      -0.43306809
Cl       0.60009644       1.51030554       8.76344396      -0.28857372       0.39044277       0.77723253
Cl       8.00241268       3.50848540       0.40797234       0.19520562      -0.04637203       1.10409313
Cl       7.87917408       8.53819289       0.83118679       1.17710821      -0.00918813      -0.70856160
Cl       7.21270324       5.53622123       8.00769820       1.60164115       0.90123735      -0.62589774
Cl       0.22059588       6.14614818       0.94192504       3.74082969       0.49854104       0.62833255
Cl       3.07830358       5.30097810       1.75759518       0.57512118       0.42515308       0.17819497
Cl       8.61484232       3.34315872       6.45175600       0.60480290       0.42681329      -1.18628622
Cl       1.59974854       3.99270841       3.94515738       0.27342877      -1.23009005      -0.07980547
Cl       4.25240876       8.39866816       0.85757799      -1.22924825       0.24061635      -0.40567926
K        4.53598735       6.68292760       3.64427478      -2.69548255      -1.83313695      -0.46515795
K        8.57461258       7.00767910       3.23400239       0.29437142       1.41429921       0.64032187
K        6.62342344       1.85439682       4.32917025       0.21679497       0.37025431       1.60345458
K        3.60645434       8.42038923       5.76715003      -0.53042184       0.21540121      -0.54463078
K        8.64926359       8.01119076       7.45471669      -0.42705520      -0.09756497       1.52868020
K        1.48513860       8.88467481       1.06516364      -0.29344217      -1.26107853       0.05796801
K        2.46228801       3.06438006       6.10056755       0.44127238      -0.48142106       1.41828383
K        4.81504616       5.84523756       8.86986414      -2.07935155       2.27858572      -0.23860850
K        0.99853430       3.59700390       1.40261534      -0.57481220      -0.22808825       1.44637780
Li       4.29352565       3.23894240       1.89108732      -0.33765606       0.64126958       0.41376837
Li       2.06778815       1.94617442       3.29190035      -0.17535149       0.17654893       0.77048363
Li       0.67203558       0.24101612       4.15002276       0.23124188      -1.03392137      -0.05965062
Li       6.53862162       8.26232781       5.57234208      -0.12203909      -0.11104232      -0.20335391
Li       9.16257286       2.62916486       4.34145955       0.07750175       0.65036495       0.39561642
Li       7.78878790       6.49952182       0.57448687      -2.82020379       0.22153572      -1.34329038
Li       6.02424497       8.52833157       1.70304970       1.02660698      -0.34722111      -0.73936139
Li       2.13313813       0.48467219       8.02685122       0.68741048      -0.85293884      -0.42798660
Li       9.23079252       4.95571951       8.68869023      -1.40804639      -0.64222715      -1.55047240
Li       6.88900697       3.30043563       8.09183701      -0.53593469       0.22088756      -1.34353894
Li       6.90062392       4.30041737       4.99131742       0.29796637      -1.20796083       0.30124485
Li       2.17470326       5.93130941       4.07764098      -0.28513415       0.18350905       0.32088445
Li       6.66939629       4.36000558       2.02267443       0.44837783      -2.83657171      -0.38585662
Li       8.82204229       1.27455813       6.96572176       0.04674750       0.34960640      -0.49178841
Li       1.87315763       5.67721209       6.91304396      -0.67740429       0.48003368       0.64616168
Li       4.45940329       0.74779039       2.60452087      -0.05696174      -0.75317550      -0.16441908
Li       7.92570723       1.33818985       0.50997640       1.18735603       0.02438606      -0.70015637
Li       3.17173408       2.82797897       8.89695478       0.81108351      -1.21003678      -0.40098583
Li       5.15501922       1.17860628       9.18607102       1.08474286      -0.44599245       1.30639005
Li       2.18494746       5.93340121       0.00151310       0.12733929       1.74256325       0.84991760
Li       5.58925389       5.74065704       6.49261142      -0.17232755      -0.26183129       0.78473485
60
Lattice="9.3349 0.0 0.0 0.0 9.3349 0.0 0.0 0.0 9.3349" Properties=species:S:1:pos:R:3:forces:R:3 energy=-441.47424709 stress="-0.2237838780851595 -0.00426745648465775 0.00517581229331592 -0.00426745648465775 -0.2316835387378535 0.0031988431446721057 0.00517581229331592 0.0031988431446721057 -0.22119804237502952" free_energy=-441.47424709 pbc="T T T" config_type=melt 
Cl       3.39088376       1.91218892       1.63497973      -2.31921464      -0.61771413       0.23245279
Cl       5.43013933       3.30805519       6.45468195       0.48256699      -0.92020945      -0.27478690
Cl       8.30772494       8.91605237       5.71611400      -0.15534296      -1.07343281      -1.44992987
Cl       3.57129003       5.66566820       5.70420266      -0.22823944      -0.89812963      -1.25608375
Cl       5.11357421       4.02586232       3.70963325       0.46613691      -0.69559567      -0.81553979
Cl       5.13478310       7.77932293       7.01770711      -0.18394640       0.69159985       2.15246187
Cl       3.77789004       1.06897674       7.72555391       0.83745805       0.28072613       0.51506668
Cl       0.06105025       1.55282328       2.59586766       0.96126155      -0.07564537       0.83596251
Cl       4.36899458       0.65028407       4.91636511      -0.06747502       2.10412591      -1.18346316
Cl       6.55437868       1.54897730       1.90232193      -1.60340106       1.55234088      -0.42903544
Cl       1.65149317       7.63598554       8.04918555      -0.75135232       0.36502422      -0.36745167
Cl       1.94632665       7.90181549       3.33967249      -0.35936852       1.72676026      -0.76841745
Cl       8.61197734       3.27125701       6.53032264       0.60018842      -0.76917399      -0.79190476
Cl       4.96424381       3.54814882       9.20673182       0.25106947      -0.11446253      -0.62730639
Cl       6.74088998       1.08466871       7.90891935       0.56176182      -0.66056099      -0.50365586
Cl       1.60803921       4.45037624       8.22070501       0.13876415       0.56330159       0.09802050
Cl       0.45195012       5.97353320       5.48883719       0.38923579       0.58832543       0.01409681
Cl       6.59034605       6.25417763       5.15770961       0.66045659       0.40721687      -0.92739819
Cl       6.28972493       8.57361090       3.40146020       0.46506456       1.12728738      -0.07896737
Cl       1.21882055       1.15738758       5.47247311       1.76217482      -0.30345122       0.86880313
Cl       0.57998854       1.59531574       8.58920952       1.10400814       0.27981401       0.53524600
Cl       8.06082617       3.53889793       0.36449051      -0.33390812      -0.23515800       1.05005387
Cl       6.95381905       5.41448471       7.82171271       0.31664139       0.18750776       1.19039147
Cl       8.47372747       8.88005700       0.99165576      -0.02474942      -1.88488131       0.23697537
Cl       0.42372231       6.27935386       1.34711942      -1.35610148       0.34080890       0.14433247
Cl       3.21352066       5.30301667       1.62369384      -0.33280107      -0.13663497       0.88026214
Cl       1.99347723       3.65741382       3.82210013       0.86051837       2.38858049      -0.70480039
Cl       6.32785800       6.36196772       1.39975892       1.46758416      -0.57047609       0.74470890
Cl       8.29136086       4.15998617       3.50693523      -0.08787634       1.36035488      -0.60223508
Cl       4.28744489       8.55398894       0.84167006       1.28940184      -0.59794397       0.01018727
K        2.90892287       8.09632680       5.77737894      -1.34311047       1.52124809       0.02702888
K        8.34752896       7.05718440       3.43843574       0.99121628      -0.05990854      -0.56544367
K        7.12229533       2.01818671       4.58582563      -1.30864947      -1.91603920      -0.35641291
K        4.49390487       6.75015020       3.44453143       0.18185033       0.19728408      -0.44541483
K        7.73924820       7.85403947       8.04603969       0.55461174       0.07432095       0.09673682
K        1.90945379       9.18927556       0.85182736      -2.18948648       0.02027130       1.07785733
K        2.82971624       3.22137131       6.16829655       0.40647505      -1.21325158       0.64446924
K        4.56162024       6.13501763       8.92529392      -1.14322831       0.14773327      -1.20982771
K        0.97797080       3.72553059       1.33119408       1.53532582      -1.06510118       1.33828100
Li       4.48377651       3.49487454       1.80672322       0.41757707       1.36876023       1.03311567
Li       2.47809856       1.74377799       3.70788762       0.66779520      -1.53082850      -0.32358693
Li       6.18538875       8.46925605       5.51954901       0.41679824       0.61782078      -0.92252740
Li       0.44163132       0.05623801       3.92268367      -0.60733834      -1.11418776      -0.00313305
Li       0.32153036       2.85872911       4.45419421      -1.16236707      -0.18544585       0.32116143
Li       6.28866075       8.70994711       1.24816948       1.16094117      -0.34724684       0.22040040
Li       1.98848306       0.46609716       7.58940439      -1.73886990      -0.97486401      -0.81237325
Li       2.78952016       2.62367633       8.80261467       0.27372806       0.17499800       0.55556439
Li       8.83926348       5.17285082       7.17729656       1.35717262       0.34071903       0.18290804
Li       6.99972809       4.28113450       5.41134818       0.34097700      -0.03327774      -0.74288260
Li       8.03607935       5.53872289       0.39064223      -0.21843303       1.03172190       0.03718008
Li       6.74050725       4.19756847       2.03498953      -0.45921443      -0.25303146       0.23718183
Li       7.01243289       3.24921731       8.08685187      -1.56275290      -0.26723961      -1.48587616
Li       8.85836269       1.14545757       6.85976060      -0.46347251       0.58982394       0.46330548
Li       2.05654381       5.89590417       6.84933352      -1.48387824       0.48345976       0.70859682
Li       2.01157760       6.28246238       0.23471299       0.76108917      -0.35404930      -0.53025394
Li       4.67304161       0.65591675       2.74029723       0.56168004      -0.55494349       0.29963064
Li       7.98605362       1.39900279       0.27321945       0.22848201       0.25785001       0.41565989
Li       5.27057789       1.36213927       0.04312724      -0.78392758      -0.07771600       0.39679794
Li       2.06395572       5.92677468       3.79270453      -0.45741198      -1.71416818       0.07899924
Li       5.34079501       5.38276472       6.50088970       0.25590467       0.42498348       0.53481161
60
Lattice="9.32135 0.0 0.0 0.0 9.32135 0.0 0.0 0.0 9.32135" Properties=species:S:1:pos:R:3:forces:R:3 energy=-441.1614714 stress="-0.22230720716181357 -0.0053669434869836295 -0.01057303606236719 -0.0053669434869836295 -0.2333669918509399 0.0042516034322100625 -0.01057303606236719 0.0042516034322100625 -0.22420804884210183" free_energy=-441.1614714 pbc="T T T" config_type=melt 
Cl       2.85057136       1.80418458       1.65650643       0.76085651       0.19571741      -1.08568283
Cl       3.88204399       0.91714813       7.85082315       0.75909218       1.05829885      -0.78566768
Cl       4.96250963       3.51764446       0.55321094      -0.62697732      -0.19833074      -0.93880398
Cl       5.00852914       4.06244940       3.55459429       0.68930833       0.42697882       0.49137660
Cl       8.37042316       8.72017885       5.43476651       0.85050303       0.61487287      -2.13277825
Cl       5.29475983       3.40062423       6.65643196       0.01535641      -0.63317661       0.56496867
Cl       4.41904697       8.56880013       0.75764865      -1.34353501      -0.58607611       1.02375442
Cl       6.37051819       6.45050470       1.94301676      -0.96489570      -1.36697595       0.19129336
Cl       6.08590009       8.66321608       3.82512783      -0.29577577       0.64277577      -0.93410105
Cl       5.45037045       7.73659932       7.50930752       0.26579818       0.51137277      -0.60147557
Cl       6.31399353       1.34798839       1.82915647       0.90403920       1.22956831      -0.00521068
Cl       6.98340628       1.02541375       7.74480211      -0.27720802      -0.71228727       0.26310586
Cl       7.89947127       3.58191516       0.51373316       1.28685747      -1.64245316       1.12214726
Cl       8.08938446       4.14543738       3.40567640       0.99428619       0.38289648       0.50808175
Cl       8.63856111       3.15873520       6.40177268      -0.08764932       1.16008609      -0.58952988
Cl       6.69351229       6.15947351       5.01291017       0.00585140      -0.60915218       0.64515989
Cl       7.03264165       5.31826828       8.00128838       0.04364728       0.69776616      -1.44360491
Cl       8.32542900       8.63480461       0.76966853      -0.87816667       0.29259972       1.14933006
Cl       4.18386930       1.49836041       4.61191502       0.32492504       0.24496392      -0.32127870
Cl       1.99719245       7.72554420       7.53189316      -0.38119075       0.90111800       1.28610875
Cl       3.32401205       5.61303733       5.77318744       1.30174750      -0.17314141      -0.17735426
Cl       9.24398429       1.47189709       2.61207530      -0.15515975      -0.27804892      -0.51438231
Cl       1.32233603       0.96117101       5.57381309       0.07922809      -0.41654093      -1.01945072
Cl       0.65419844       1.46083265       8.47897960      -0.12800975       1.44442416       0.54203907
Cl       2.15996186       4.40195161       8.29493887      -0.10130698      -0.29425088       0.50606693
Cl       2.33362794       8.75990645       3.32947436      -0.22641931      -2.17012272      -0.44139258
Cl       0.06528860       6.25226755       0.23793212       1.85597488      -0.96447488       0.87339765
Cl       0.34351225       5.89058985       5.55693212      -1.48329953       0.00572677      -0.75010393
Cl       2.68294553       5.96668935       1.86905185      -0.42609356      -0.15413344      -0.18699414
Cl       1.80538703       3.65696135       3.72613509      -0.22017105       1.49372893       1.95531969
K        0.93755070       3.77856769       1.35233214       0.19524130       0.03606635      -0.33923654
K        8.78759086       6.90115469       3.17445099      -0.04559221       0.43830204      -0.41431035
K        6.94417272       1.72086103       4.53227340      -0.56009354       0.41937042       0.31498148
K        3.67229497       8.46434508       5.62422295       0.13817681       0.42610863       0.74051122
K        4.31911277       6.83160809       3.77414937       0.79210773      -0.97912280      -2.04357494
K        8.33802215       7.69370247       7.64988280      -0.13040866      -0.58204804       0.60454877
K        4.53072606       5.97372697       9.08741208      -0.42790991      -0.25680108       0.46949056
K        2.65695760       2.98901206       6.15989297       0.56600918       1.14637183       0.51652137
K        1.64299047       9.01331667       0.76281920       0.33846283      -1.65738892       0.12810955
Li       6.45516537       8.04444623       5.75816143      -0.18072489       0.29714480       0.12647016
Li       4.63813598       0.68285693       2.67404364      -1.31749470      -0.66337491       0.18722535
Li       6.28581509       8.41451314       1.46618311       1.04051339       0.84742271       0.34281494
Li       2.21932954       1.67204512       3.62066402       0.27134434      -1.12541357       0.31582478
Li       9.10680981       4.44619074       8.21961304       0.22593947       0.05301734      -0.78865340
Li       6.96192057       3.09204094       8.20839013      -1.61810310       0.04190592      -1.98392447
Li       0.44019330       0.01849393       3.86026932      -0.45173718      -0.92426999       0.85846137
Li       5.42398171       1.04590208       9.25545738      -0.11180739       0.22104321       0.02928474
Li       6.57821652       4.07635685       5.15636575       0.54462611       0.24610190      -0.40048880
Li       3.42005924       3.67853096       2.40609211       0.70412783       0.55276174      -0.96741426
Li       7.52355055       5.68076626       0.58814083       0.10454863      -0.07823945      -0.42390829
Li       2.09740628       0.43273901       7.39239915      -1.36768313      -0.08646936       0.04608424
Li       3.08477028       2.50284772       8.94005086       0.22865960       0.37420538       0.34116293
Li       6.64029671       4.22833214       2.01831463      -2.10155944      -0.43130742       0.41189913
Li       8.81330846       1.09992862       6.59159265      -0.10045885      -0.06196773       0.98889728
Li       9.31355735       2.68077365       4.29476541       0.31586665       0.58392291       0.91304564
Li       1.72791729       5.92572202       6.85667320       0.01516225      -1.00541296       0.59603162
Li       8.08279426       1.38327902       0.66680277       0.31912029       0.17201414      -0.50852068
Li       5.39284840       5.52105425       6.68919651      -0.19956458       0.69386652      -0.63502336
Li       1.85201242       5.85445097       3.98276118       0.16781952      -0.12937418       0.38914355
Li       2.08395558       6.33548856       9.10154884       0.10379845       0.32783479       0.99020790
60
Lattice="9.24449 0.0 0.0 0.0 9.24449 0.0 0.0 0.0 9.24449" Properties=species:S:1:pos:R:3:forces:R:3 energy=-436.00908673 stress="-0.24509934293256666 0.0045868958606639035 0.0011160246047699663 0.0045868958606639035 -0.2432108859917275 0.010384704066953765 0.0011160246047699663 0.010384704066953765 -0.265128713298723" free_energy=-436.00908673 pbc="T T T" config_type=melt 
Cl       2.90560792       1.55522829       1.63548895       0.85857806       0.77683361      -0.65357955
Cl       5.33750044       3.77003244       6.49479965       0.59902573      -1.15613036      -0.28722440
Cl       6.94861166       6.14440575       5.02885465       1.17415970       1.23570519      -0.69182720
Cl       3.36868291       5.57219955       6.35058561       0.33225290       0.70243496      -0.59880256
Cl       5.30583806       3.98223047       3.35577760      -1.01139122      -2.07852411       0.69052936
Cl       4.84364129       3.27026607       0.34967376       0.55941269       1.41328399      -0.89247328
Cl       3.89437084       1.30460092       7.31364884       0.36679258      -0.10411676       0.84696521
Cl       5.52871347       8.08248534       7.33052928      -0.16431546      -0.51753056       0.06841753
Cl       3.73977523       1.45705180       4.56038087       0.85548136       0.23416477      -0.31404012
Cl       6.26444545       1.24487227       1.69861033       0.17179164       0.36278737       1.33372925
Cl       1.83094520       7.49149434       8.04691254      -0.56679323      -1.12960811      -1.30391003
Cl       0.95488186       6.71761035       4.90312034      -1.24869046      -0.54617373       1.36288718
Cl       2.53238012       8.27919884       3.21503024       0.35301579      -0.20657666       0.03995785
Cl       5.64769930       8.41892931       3.51138086       0.48612919       0.43416655       1.76198383
Cl       7.93406505       3.27866007       0.37097399       0.23192821       0.58898668      -0.28870798
Cl       7.04098261       1.25497650       7.67938860      -1.33577019      -0.53365747      -0.93017630
Cl       6.13158364       6.12676726       1.69861033       1.15427318      -0.15641226      -0.02507847
Cl       8.05959598       9.16090132       5.00864619      -2.23378999      -0.18304795      -0.99042400
Cl       0.06590674       1.09791261       2.70789601      -0.89555734      -0.40332918       0.79499904
Cl       1.06266337       0.81142309       6.05181293       1.44491274      -1.15035437       0.51699173
Cl       0.80288765       1.43823927       8.87518187      -0.04310206      -0.31047574      -0.89539480
Cl       1.86052757       4.10815891       8.54698399       0.30091156       0.31182211      -0.50966238
Cl       7.43068408       5.70271326       7.84074193      -0.60302441      -1.08738727       0.75654806
Cl       8.20626906       8.20644471       0.43158641      -1.66119996       0.67121333      -0.12437350
Cl       3.14797071       5.60572931       1.60890180      -0.35469994      -0.38347854      -1.85668919
Cl       2.18831869       4.11828163       3.92368511      -0.45576034      -0.52587836      -1.18301062
Cl       8.54548638       3.58735208       6.08926236       0.72080776       0.35143411       0.03675761
Cl       8.35058479       4.19720184       3.29734318       0.21865294      -0.63975734       0.01684340
Cl       0.24431708       5.85590370       1.31673893       0.03639458       0.34051213       0.90426167
Cl       4.07710667       8.32777864       0.65730358       1.09513913       1.03237774      -0.24600728
K        3.39422544       8.16888434       5.59455272      -0.03093430       0.73537112       1.50950033
K        8.26126453       7.40657445       3.00212039      -0.31164682       0.06908159       0.51282615
K        6.36984188       1.94618701       4.74861718      -0.45712104      -0.95649001      -0.19882651
K        8.36188156       7.87723917       7.08896151       1.66004419       0.58352025       0.50415077
K        4.69556305       5.99082703       8.80957372      -0.35732201      -0.79126401      -1.49687703
K        1.44141013       8.65620763       1.07093719      -0.54795911      -0.80268419      -0.05778578
K        0.89035902       3.21459575       1.55831595       0.85960771       1.66031747       1.42575998
K        2.08965225       3.14565035       6.24483788       1.51064176      -0.44311097      -0.72317079
K        4.34309838       6.24849870       3.73045678      -0.81460981       0.11065957       1.50905840
Li       2.09027163       1.81536823       3.45725437      -0.75837999       0.30798538       0.76238417
Li       6.31579859       7.96448867       5.51187925       0.06669153       1.36507327      -0.99797973
Li       2.30258059       0.18669710       7.94798726       0.11071792       0.62329704      -0.23569381
Li       7.75280834       5.43497434       0.61185766      -1.30212800       0.33534456      -0.32598345
Li       6.18437892       8.26955684       1.46425326      -0.09322424       0.10027201      -0.99032013
Li       3.07689907       2.33229238       8.93377345      -0.21215259       0.05684804      -0.19579080
Li       9.05336017       4.43242789       8.04549814      -0.40413697      -0.56290678       0.24473324
Li       6.58248364       3.48047653       8.13699085      -0.79774128       0.08372864      -0.83324501
Li       1.63431490       6.07280717       2.84446486      -0.29000895       0.04177047       1.65074685
Li       1.47403393       5.66531005       6.96640731      -0.76190850       0.65376781      -1.18516763
Li       6.69620935       3.97060090       1.92331614      -0.23769776      -0.40837218      -0.01188985
Li       8.78796935       1.99859403       7.33880310       1.31825225      -0.32152357      -0.19661201
Li       1.59803027       5.87787785       0.03878313       2.25127882       1.25155238       0.10718953
Li       0.81326644       8.95711578       4.21671696       0.10592052      -0.69500279       0.39011412
Li       8.92801413       1.76190735       4.81912490       0.09069076       1.38875640      -0.89807972
Li       5.38521125       1.20966001       8.98479841      -1.05205747      -0.77278435      -0.07441674
Li       7.80405979       1.10810928       0.39836634       1.32674934      -0.54688869       0.11191020
Li       4.42829560       0.45158039       2.55777474      -0.86323764       0.24806566      -0.01445777
Li       3.60939094       3.55892527       2.14833628       0.18111257       0.03027349       0.47294046
Li       6.86374725       4.24561523       4.72804819      -0.24108954      -0.91136221       0.56646930
Li       5.45656022       5.82395474       6.28617924      -0.33391650       0.22342083       1.32902324
60
Lattice="9.17659 0.0 0.0 0.0 9.17659 0.0 0.0 0.0 9.17659" Properties=species:S:1:pos:R:3:forces:R:3 energy=-430.37184777 stress="-0.28236888754755696 0.010262296395131619 -0.009079277491102435 0.010262296395131619 -0.263334561847078 0.00019886825576128142 -0.009079277491102435 0.00019886825576128142 -0.29121213225357784" free_energy=-430.37184777 pbc="T T T" config_type=melt 
Cl       2.93989496       1.93190161       1.31561100       0.17457738      -0.13738911      -0.40178337
Cl       5.07938021       3.45271034       0.15769328       0.14799501       0.84632856       0.62042033
Cl       3.50326417       5.60876851       1.50563983      -0.75011397       0.02319195       2.08419198
Cl       5.24257669       3.69660575       3.38150000      -1.10274943       1.73695850      -0.09048462
Cl       6.81402184       5.91634028       5.01474031      -0.72154191       2.02062648       0.08194154
Cl       5.21141299       3.54697227       6.44579282       2.17501890      -1.26172716      -2.76808725
Cl       4.38194102       8.47045140       0.86523131       0.52835472      -0.15999388      -1.46756538
Cl       5.45454674       8.32925121       3.40547843      -0.64969419       0.15475214       1.74425081
Cl       5.30173817       7.82694303       7.10521340       0.75429355       0.69925859      -0.15536064
Cl       6.38200634       1.44236724       1.84220044      -0.49317335      -0.26913384      -0.22619502
Cl       6.68122741       1.15633293       7.63715279      -0.69151331      -0.89673919       0.12501778
Cl       8.03713282       3.48858163       0.16718646      -2.83117116       1.07247397       0.95385511
Cl       8.11426206       3.98174075       3.21683527       0.07870656      -0.18521283       0.30629868
Cl       8.32544292       3.38673984       6.03845316       1.24999941      -0.47697097       0.33931407
Cl       7.61109128       5.49193217       7.71647524       0.11286321       1.31932307      -0.60663324
Cl       8.24841463       8.21817776       0.61393498       0.77681493       0.47639073       0.02399025
Cl       6.50132036       6.00847324       1.92499164      -1.84809134       0.00731488       0.34140409
Cl       7.93761270       8.87208321       4.79642924       0.07117639       1.97961169       2.44196448
Cl       3.54822029       1.31319756       7.58741567      -0.24535665      -0.37340201      -0.15344415
Cl       3.70438750       1.63033133       4.49701546       0.35039892      -1.06843132       0.73241681
Cl       3.32755083       5.47540513       6.67248212       0.17214800       1.30066835      -0.63582961
Cl       1.81055038       4.29481848       8.69423172       2.20370499       0.21176443       0.39380010
Cl       1.61134497       7.41358353       7.80134034       1.15168811       0.99021989       0.83730375
Cl       1.90008637       3.90461152       3.69312782       1.23398416      -0.39004461      -0.41973296
Cl       0.35799438       1.54846697       8.36813242       1.89044550      -2.48732138       0.05416094
Cl       1.10780712       0.93016669       5.59157158       0.53918567      -0.29110921       1.20105995
Cl       0.50408385       5.92488369       1.67438814       0.61664434      -0.89084961      -3.45273475
Cl       0.00351262       1.04585596       2.56386583      -0.96029826       0.77899159      -1.65263686
Cl       0.74438663       5.88986582       5.19129791      -0.21542810       1.43083683       0.36068746
Cl       2.11521317       8.29457288       3.26789382       1.55967689      -1.68317431      -0.39207185
K        3.18305624       8.25310387       5.69170653       0.07300829       0.23556357      -0.23324897
K        6.32392770       1.71096603       4.47716650       0.44768861      -0.91276276       1.34029998
K        0.69768421       3.18984692       1.52487396       2.48670846       0.76832096       0.99663273
K        1.99561467       3.20311627       6.14914119       1.00531688       0.47701704       0.33074210
K        8.39520336       7.94856037       7.29263607      -1.68984169       0.49873323      -1.88425000
K        5.13900052       6.05338348       8.89721789       0.30199974       0.37687019      -0.93412341
K        8.35409224       7.06197331       3.29089953      -0.02680607       0.18778291       0.19783053
K        1.81640505       8.89937439       0.76827421      -1.07520406      -0.37870996       0.19944201
K        4.06637644       6.12371286       4.04960164       0.44598593      -0.52336900       0.20813534
Li       2.10137487       1.72493280       3.27027055      -0.24486918      -0.33762235      -0.15989329
Li       1.77455980       0.21043297       7.55259969       0.23569476       1.31658125      -0.39785257
Li       6.78454664       3.99808426       4.84844215      -0.85046338      -0.47716081      -0.32642338
Li       6.82318008       3.28662324       7.78692392      -0.86198429       0.36025331      -0.68670071
Li       7.85548222       5.95445984       0.51703294       1.34771884      -0.00189678      -0.41954701
Li       6.58157882       3.87464995       1.74977383      -0.18365137      -0.48693367      -0.11576426
Li       6.53163064       8.20610137       1.52538785      -1.99019663       0.40876975       0.46323333
Li       4.34026095       0.89011271       2.49951041       0.34303345      -0.75403117       0.31272488
Li       0.04138642       2.51877207       4.21846007       0.01839146       0.24781731       0.06548814
Li       7.80874585       1.41882929       0.41844700       0.19016317      -1.12187472      -0.27061976
Li       1.27483941       5.61640344       7.22257281      -1.03884474      -0.80574446      -1.32288930
Li       6.27305269       7.99237859       5.32850628      -0.93842075      -0.70646731      -0.10222913
Li       0.31470932       3.46683311       7.93987932      -2.33459844       0.23365538      -1.52339453
Li       5.38852118       5.60790591       6.44936251       0.70242756       0.71891263       0.45830867
Li       2.09405196       6.25015710       0.28027049      -0.48187957       0.17077241       0.04053250
Li       3.63623296       3.59453454       2.18166086      -0.12534696       0.77566220      -0.04148263
Li       0.57750850       0.04817710       3.99657930      -0.31034164      -2.09272355       0.92358066
Li       3.80782602       3.60850131       7.73261686      -1.58741665      -0.34971752       1.42219420
Li       5.07074504       1.40445875       9.15170309      -0.25915802      -1.32618128       0.17025694
Li       8.36331471       1.39378637       6.49284119       0.23466196      -0.87564362      -0.13567315
Li       1.80863248       6.06891027       3.08261847       0.88767938      -0.10308546       1.20517166
60
Lattice="9.1296 0.0 0.0 0.0 9.1296 0.0 0.0 0.0 9.1296" Properties=species:S:1:pos:R:3:forces:R:3 energy=-428.01925871 stress="-0.30234017657686696 0.001860143944998951 -0.0013170917816453511 0.001860143944998951 -0.2753928741075286 0.004947786309627818 -0.0013170917816453511 0.004947786309627818 -0.31123442809383434" free_energy=-428.01925871 pbc="T T T" config_type=melt 
Cl       3.06717129       5.86796823       6.38476750       1.42101721      -1.71208128      -0.08479022
Cl       5.17832738       8.52320284       3.42550809      -0.64035452      -0.68787828      -0.32156997
Cl       6.77696599       6.06351514       4.81745255       1.05129340      -0.89643424      -0.80704605
Cl       5.15114856       3.47972878       3.37234643      -0.40822984       1.30239647      -0.49440213
Cl       5.37845734       7.79701620       6.72572154      -0.26393626      -0.16762287       2.57235058
Cl       3.28282157       5.80761245       1.70482499       0.56993454      -0.57012260      -2.32089474
Cl       5.07515377       3.40523124       0.35692354      -0.15745140      -0.52578841       1.10032582
Cl       3.78838230       1.09593544       7.58975602       1.66022608       0.38862191      -0.12420012
Cl       3.49828013       1.65244847       4.75990868       0.11850622       0.07479345       0.39346090
Cl       6.54259090       1.20975417       1.91107178      -0.38230339       0.80235225       0.86055606
Cl       3.10826362       1.72572264       1.70195829       1.09542079      -0.35258879      -2.87239225
Cl       1.50993541       7.60181622       7.67065340      -0.50406068       0.93090878       0.23681113
Cl       0.76199385       6.28778376       4.82784204      -2.02811642      -0.34993225       1.47704393
Cl       5.10326381       3.91889906       6.63570369      -0.41677456      -2.88458076      -0.83872696
Cl       2.21208382       7.97361005       3.13292267       1.26777593       0.38073867       0.31331009
Cl       6.61216758       1.14392062       7.92747818      -0.61532702      -1.26991280      -0.62528804
Cl       6.25805778       5.96707004       1.66411610       0.04178612      -0.17630030       0.69493541
Cl       0.24071925       0.78917814       2.59211255      -0.05561696       0.76719568       0.15533688
Cl       1.06064954       0.98389699       5.64328878       1.63641334      -1.90983214       1.44506953
Cl       0.57685104       1.47726971       8.54710413       1.30433570      -0.26854871       1.21930359
Cl       7.84108477       0.05377334       4.80441548      -0.16561190      -0.53334169      -0.71313308
Cl       7.91872289       3.55860852       0.17434706      -1.02863415       0.68453790       2.71426502
Cl       2.16112239       3.77825757       3.67281982      -0.22457161       2.15069358      -0.20434521
Cl       0.54388223       5.70945099       1.42839896      -1.70941646      -0.90011877       2.54713843
Cl       8.01450153       5.53975911       7.39296749      -0.20683770       0.46714259       0.91186760
Cl       1.92826282       4.24859630       8.48162664       1.43382719      -0.03691670       0.09291865
Cl       8.06818357       3.06942630       6.26487759       0.51059372      -0.06413738      -1.12997956
Cl       8.11504581       3.48859362       3.35779384       0.04129979       1.23918053       0.27130066
Cl       8.40096662       8.22188039       0.61812596      -1.10873934      -0.30387202      -1.51494911
Cl       4.62978449       8.21391025       0.41518865      -0.99435743       0.66290509      -0.26944159
K        8.19198095       7.08373881       2.88245209      -0.00330293       1.46213931       2.21316091
K        5.97223740       1.67509901       5.12147736      -0.13246439      -0.38848476       1.08633354
K        3.25039323       8.30783557       5.49429371      -1.09887172       0.36614664       0.42277743
K        7.96947434       8.06030473       7.11188536       0.85679782      -0.46442335       0.63979577
K        4.84777195       5.79293205       8.67734700      -0.53890315       0.93552156      -1.63440795
K        0.91126920       3.17420672       1.56212934      -0.38846436      -0.54951895      -0.32535156
K        4.21481678       6.10105605       3.99270275       0.41030778      -0.75125056       0.20014466
K        1.64026958       3.43575150       6.01930048       0.97606739       0.72116152       0.59940937
K        2.02627820       8.77821996       0.81727266      -0.30470780      -0.83091885      -0.90309172
Li       2.04193547       0.53793703       7.57012738      -2.05011131      -1.13753428      -0.82561146
Li       1.75983083       5.90959008       3.14404252       0.06451570      -0.63972451      -0.44211618
Li       6.62554244       3.17640695       7.86150769      -0.77023247       0.59906007      -0.44121522
Li       0.15622480       3.36209388       8.00202136       0.21943458       0.91250012      -1.34481200
Li       6.51426175       3.88398747       4.84395578       0.94245223       1.15576846       0.16193426
Li       0.94886672       5.75506247       6.85596442      -0.02924552       0.01289409       0.06188917
Li       7.98654669       5.84723491       0.46325873      -1.12117225       0.33951634      -1.44438870
Li       6.65370726       3.90050292       1.85295275      -0.22224022      -0.60384083       0.39247241
Li       1.72326678       6.19143909       0.14750421       2.73085342       1.01838266      -2.06099832
Li       8.54746019       1.15682988       6.98324017      -0.98798489      -0.28327589      -1.15323303
Li       0.69395185       8.44549168       4.36110036      -0.57121127       0.08110590       0.21281122
Li       4.93255855       1.24388061       0.40815338       0.12162131      -0.50364450      -0.22053650
Li       8.90800635       1.96784876       4.49630974      -0.93405181       0.18477870      -1.17316017
Li       4.60708831       1.36272061       2.97419544       0.78677094      -0.04257097       0.17906589
Li       7.83892106       1.38388303       0.41008429       0.79181815      -0.54219957       0.57223480
Li       3.50139332       3.68790192       2.05513687       0.78546228       1.02866456      -0.47784053
Li       6.19079089       8.09055109       5.04907050       0.65486651      -0.71918824      -1.07052268
Li       5.39189611       5.71076565       6.19352064      -0.31730597       2.45602368       0.39666644
Li       6.30048303       8.19519457       1.47702321       0.69973028       0.11698961       0.34148077
Li       3.73399727       3.03012337       8.05049041      -0.87426393       0.79023088      -0.35945857
Li       2.03886792       1.71135265       3.29430660      -0.93825481      -0.96576576       1.71173270
60
Lattice="9.03631 0.0 0.0 0.0 9.03631 0.0 0.0 0.0 9.03631" Properties=species:S:1:pos:R:3:forces:R:3 energy=-420.50173716 stress="-0.3433588689524835 0.0019504771006080583 0.007558113701567752 0.0019504771006080583 -0.3158938920399955 -0.0037613508035031244 0.007558113701567752 -0.0037613508035031244 -0.34117875563997246" free_energy=-420.50173716 pbc="T T T" config_type=melt 
Cl       0.39203850       1.07585403       2.11236397      -0.84399016      -0.91720503      -0.76982417
Cl       3.27024963       5.95791931       6.27598838      -0.39022380      -0.25654619       1.44261532
Cl       4.87272173       8.05300585       0.40449957      -0.76215123      -0.00565953      -0.24755144
Cl       5.11528340       3.35776629       3.47977455      -0.31455730       0.10902591       0.38055474
Cl       4.78783464       8.21749381       3.35423309       0.98464244      -0.00851426      -1.31916296
Cl       3.34333530       5.55788186       1.74108007       0.89257393       0.76660713      -3.78775524
Cl       5.07335492       3.18561555       0.45803700       0.04544393       1.13520501      -0.80608983
Cl       3.62532239       1.14075281       7.80171511      -0.05644660      -0.77510963      -0.88406663
Cl       3.21652876       1.71604045       4.78548520       1.18558817       0.60122471       1.38345979
Cl       5.43905439       7.74459659       6.69543582      -1.21137768       0.80042653       1.41404773
Cl       6.43731363       1.16835874       1.99156658       0.70019884       0.31178133       0.47903823
Cl       3.25971329       1.41080294       1.67747348       2.21266471      -0.26664053       0.66253331
Cl       1.38701937       8.10473873       7.27130179       0.96598576      -0.72187434      -0.69304960
Cl       6.71943626       1.13249362       7.90673510      -1.37537738       1.11074863       0.78726633
Cl       7.90813573       3.67018767       0.46270696      -0.23060313      -0.85044724       0.35176882
Cl       1.93049016       7.93725072       3.32558799      -0.60341673       0.27271421      -1.82101962
Cl       2.10438491       3.66124172       3.29800013       0.13065132       0.76248088       2.27347306
Cl       7.30273911       0.05738057       4.79641009       1.57208360       0.36388001      -1.67443923
Cl       0.63958189       1.12446938       5.02886013      -0.53096537      -1.57630375      -1.10626028
Cl       0.56642302       1.53027199       7.99221860      -0.47004833       1.15394292       1.79421902
Cl       8.03798751       8.10283207       0.67971395       1.38580418      -0.18602782      -0.83163266
Cl       0.46921040       5.67127852       1.71142290       0.07791246      -0.56101803      -0.30322311
Cl       6.24625892       5.85695662       1.81946102      -0.40596076      -0.81388153       2.09561977
Cl       4.84240491       3.74311069       6.39574660       0.17841617       0.26473926       0.37631829
Cl       8.54533113       5.66290186       7.62282328      -1.27878164       0.26792567       0.34962096
Cl       6.71658079       5.87118881       4.95186173       1.36504072      -1.47828209      -0.14070810
Cl       0.67931454       5.93814786       4.93458431      -0.46767242      -0.78622067       0.73564176
Cl       2.06828485       4.34192888       8.02539089       0.10403366      -0.07134144      -0.58372208
Cl       7.79853433       3.32790128       6.25538560       0.02209256      -0.78726979       0.90672816
Cl       8.14201351       3.61380110       3.43162005       1.04509215       1.61779336       0.25848028
K        8.27210023       7.18758037       3.16971164      -0.99112262       0.93283390       0.08156114
K        3.30707259       8.27528101       5.32300106      -0.65921175       0.82340757       2.80143049
K        5.06294509       5.57477073       8.55356321      -0.55077744       1.52795179       0.14403353
K        4.16300994       5.73598754       4.03835405       1.18446667      -0.58675926      -0.71881670
K        7.86260177       8.04901181       7.16278474       0.94439945      -0.80316044      -0.23961230
K        5.49971514       1.47153597       5.68474262      -0.18286455      -0.93611126       0.35526406
K        1.44643311       3.17136528       1.07061297      -1.71511410      -0.52206045      -0.99782200
K        1.23414307       3.37511600       5.62853677       1.41998385       2.80205898       0.50425938
K        2.20143488       8.53707195       0.66289557      -1.20935353      -2.04697646      -0.40639380
Li       2.02566058       1.33570216       3.28691258      -0.80635675      -0.34888725      -0.06391963
Li       1.93888489       1.20081716       6.62029890       1.21614370      -0.75865746      -0.37274488
Li       6.37928244       8.03920741       1.84637115      -1.08369323      -0.02691273       0.06647165
Li       6.53854741       3.53726355       7.93160303      -0.25177769      -0.78038567      -0.33835175
Li       1.99118705       5.78219922       3.26019221      -1.30585850       0.06166773       0.05892166
Li       0.03310479       3.59817732       7.83090239       0.34970963       0.16265741       0.23779106
Li       6.60303052       3.79951534       4.88858949      -1.07994581       0.72489964      -1.75159180
Li       1.43392685       6.10894316       6.93492515      -0.89882476      -0.19081727      -0.28761754
Li       3.64551854       3.15558789       7.92478965       0.53057633      -0.60442827       0.25368141
Li       6.57912948       3.49547965       2.09000814       0.09496080       0.45164764      -0.54654646
Li       1.83419924       5.83698637       0.33484589       0.45642298       1.24802451      -0.56999687
Li       0.53404592       8.06211446       4.94684658       0.15589826       0.05227920       0.67222230
Li       8.13902249       1.28316506       6.38359276       0.17886245       0.21056828       0.27563174
Li       8.00754418       1.68984419       3.37828775      -0.30861441      -1.44893694       0.68134100
Li       5.13783803       1.16025317       0.28469166      -0.50681801      -1.25284275       0.11216186
Li       7.94543762       1.40808301       0.49760610       0.82818641      -0.21105025       0.38053911
Li       4.85630276       1.27802340       3.31562997      -0.95642374       0.01165777      -0.41249174
Li       3.62418382       3.36687489       1.84714827       0.46500299       1.26213769       1.10639256
Li       6.05280056       7.65670944       4.82598594      -1.14034976       0.02571467      -0.46842224
Li       5.26971394       5.70586048       6.41320475       0.76970005       0.66653224      -0.48076226
Li       7.75647031       5.94069610       0.56886463       1.12614101       0.07779374      -0.79949360
66
Lattice="12.1249 0.0 0.0 0.0 12.1249 0.0 0.0 0.0 12.1249" Properties=species:S:1:pos:R:3:forces:R:3 energy=-573.63328279 stress="-0.014845763301753455 0.00048578053124466116 0.001397562366677121 0.00048578053124466116 -0.013601825464859512 0.0007755799166383643 0.001397562366677121 0.0007755799166383643 -0.010269667199228177" free_energy=-573.63328279 pbc="T T T" config_type=melt 
Cl       5.94065538       2.95594150       8.66659965      -1.05543949       0.38130231       0.09204369
Cl       5.26615932       1.23034998       4.27241464       0.78132081      -0.12803889       1.03519461
Cl       9.51901649       7.56541623       2.15019339      -0.86254628      -0.60853315       0.95902231
Cl       9.46700067       5.59938794       7.28265144      -1.83333372       1.30993990       0.47131773
Cl       5.22613502       5.24737785       2.00452484      -0.31391322      -0.20268687      -0.93738223
Cl       6.87172645       5.88712395       4.49757403       0.67354556       1.49564438       0.23463564
Cl      11.44274100       6.69658227       4.72718326      -0.20741375      -0.38416412       1.07209616
Cl       7.62189401       7.20371834      11.12641448       0.05514187       1.67910043       0.43065403
Cl       4.66892312       1.72838025       1.01790475      -0.52652933       0.66821488      -0.73273285
Cl       6.17464170      10.84755391       0.47622485       0.11283740       0.27426515      -0.66139016
Cl       4.60165417       9.65870746       6.37772165      -0.09575305       1.39208869       1.03851009
Cl       7.83680787      10.64294622       8.60156168      -1.92518235      -0.07119487       0.58046190
Cl      10.49621068       1.66105068       2.69877237      -2.11776177      -0.82874325      -0.19988727
Cl      11.90069847       4.44238149       2.29837179       0.37243033      -0.14845055      -0.13532858
Cl       9.42921948       1.49589741       6.21004641      -0.16840205      -0.35992684      -0.12584551
Cl      10.62132753       3.16674501       9.99758629      -0.09660866      -0.42400688      -0.26136770
Cl      11.00982145       0.00323686      11.38912469      -1.09412398      -0.10302123      -0.41350884
Cl       5.32658982       9.38645496       3.26722405      -0.02341651      -0.13691056       0.01434879
Cl       2.05804415       9.45028043      10.98461378       0.45585757      -0.45570249      -0.65191872
Cl       8.98747300       4.24538824       0.62308649      -0.66878625      -0.48735563       0.03908976
Cl       0.71689320      10.11742881       6.88055338      -0.58003308      -0.17763587       0.01362607
Cl      11.57385967       7.73829305      11.79729733      -0.15838938      -0.12643603      -0.10348775
Cl       2.76756905       0.39019262      10.02189672       0.51577209       0.52382305      -0.32315990
Cl      10.55978153      10.25979938       3.64720629       0.36196953       0.75507907       0.29268624
Cl       9.10370229       8.90927952       6.20680906       0.80592745       0.17887470      -0.28791725
Cl       0.84974330       6.51501189       8.46668430      -0.35818022      -0.74401357       0.03894156
Cl       3.36491437       6.69620640       6.41707908       0.09950908      -1.02176357       0.24354999
Cl       2.23849904       7.60946599       2.78159756      -0.24724189      -0.50846843       0.02499392
Cl       1.94268785       4.05282057      10.38228512       2.46231218       0.21899174       1.67611877
Cl       1.62816795      12.12299639       0.84888486      -0.38684295       0.85258652       1.89589408
Cl       2.30479799       3.18095539       7.08865304      -0.42851635       0.59303445      -0.19095148
Cl       1.06005212       1.08716946       4.29283297       0.59079494       0.59541859       0.27180649
Cl       4.28566715       7.01136892       9.86194504       0.08050952      -0.13319850      -0.25842137
K        8.56744222       3.88997104       3.70136822       0.74240466      -0.37674515      -0.44726487
K       11.10266181       3.84221106       6.58245059       1.50424090      -1.17547975      -0.39593639
K        8.00774471       1.69336353       9.62751010       0.94391444      -0.84283771       0.34760786
K        5.01671375      10.06826234       9.61629456      -0.09801986       0.30166044       0.10651921
K        3.48412639       2.99425618       3.39520237      -0.08809276       0.28645599      -0.55163926
K        1.67408494       5.65536861       0.56552595       0.22144794       1.00647172      -0.19920639
K        4.36016254       8.41611134       0.38876067       0.26208122      -0.37571538       0.93204461
K        1.46786464       4.76441883       4.57282116       0.42352499       0.87545644       0.74704694
K        6.34458430       4.94169699      10.97085202      -0.95241306      -1.21057758       0.20277286
K        6.77652174       8.08569569       7.20580382      -0.62064177      -0.93488607       0.53810958
K       10.23930830      11.39525989       8.41130988       2.04284973       0.93764331      -0.48559497
K        3.91288710       0.82565962       7.10385766      -0.13527891      -0.50306517       0.16485207
K        6.02839116       3.92986196       6.08768192      -0.52972094      -0.40985370       0.31265591
K        9.38948619       9.92326066       0.72134668      -0.01699783       0.13548354      -0.31142781
K        1.52697353      10.32660758       3.46566017       0.10763828       0.14708999       0.02829212
K        7.22005058       1.04943677       2.13797149       0.06866076      -0.11933316      -0.49393528
K        9.88134488       5.98923985      10.13874438       0.44319525      -0.62739668       0.49873750
K        7.28948988      11.30792424       4.87514342       0.04295403      -0.82644397       0.37699135
K       10.92116418       8.40324682       8.81243794       0.06303380       0.21816463      -0.02022381
Li      11.29707245       8.74355639       5.57290716       0.10510604       0.66418525      -0.19476024
Li      11.51433854       6.87245394       2.63134580       0.53879907       0.13216322      -0.96830454
Li       0.31798278       2.21147264       2.41121824       0.85343379      -0.25201248      -0.03373004
Li      10.37280345       1.88624644       0.35984642       0.10995570       0.59719748      -0.15718181
Li       4.07576089       8.09880271       4.93308831       0.18859169       0.21007925      -1.07157818
Li       7.88912681       6.36730636       1.37986212      -0.45675518      -0.24583396      -0.38189608
Li       0.96378163      11.39313804      11.11030049       0.39928302      -0.15938341      -0.62009173
Li       2.41455259       8.10250080       8.72415655       0.00615527       0.38654236       0.03833282
Li       3.71214726      11.78896752       0.62029533       0.94082115       0.03280288      -0.34369661
Li       3.09079463       5.52850578       8.58321671      -0.32792672      -0.34379230      -0.42222187
Li       3.00073088       2.55499530      11.56596636       0.42741664      -1.23373857      -0.22333304
Li       0.42568220       3.82709131       9.26826144      -1.37611254      -0.14926163      -1.60950687
Li      11.12749360       0.32551113       4.89717436      -0.25924867      -0.29789746      -0.43479997
Li       8.89332315       7.08026261       4.67300921       0.20618582       0.28474510      -0.06932531
66
Lattice="12.8211 0.0 0.0 0.0 12.8211 0.0 0.0 0.0 12.8211" Properties=species:S:1:pos:R:3:forces:R:3 energy=-567.26811552 stress="-0.009177495108284632 0.0015487565214632798 0.0015273742846017193 0.0015487565214632798 -0.005901445569264919 -0.0020274631634420114 0.0015273742846017193 -0.0020274631634420114 -0.009656506011350232" free_energy=-567.26811552 pbc="T T T" config_type=melt 
Cl      10.73376081      11.71006194       7.44973862       0.00582557      -0.09536668       0.63558942
Cl       5.09769500       1.86417512       9.61763278      -2.01042327      -0.08888418      -1.27992336
Cl       8.70803984       2.19642110       7.43809706       0.04522229       0.16995952       0.21947587
Cl       8.55784065       2.47947253      11.65586715       1.02218496      -0.28061869      -0.37666635
Cl       5.22096988       6.78592617       2.65328818       0.00713410       0.63106356       1.78784165
Cl       5.95490093       5.19902016       6.42008890      -0.25327027      -0.19684936      -0.24640520
Cl       8.07744685       7.91059306       6.05213615      -0.39127288       0.60966281       0.16549881
Cl       9.65495500       3.82888048       4.05557035       0.06311101       0.19930640       0.67690510
Cl       8.37919144       8.62867723       9.47252357       1.02165931       1.49832524       0.34393964
Cl       4.37257205       6.67288253       9.20937049      -0.17870270      -0.65164789      -0.61422828
Cl       6.61862363       5.19855860      12.32550038      -0.25796538       0.23458690      -0.28768471
Cl      11.76793638      12.16710851       4.41913828      -0.19424404       0.46495495      -1.15984152
Cl      12.77563638       1.72055316       1.15252586      -1.42625377      -0.74797367      -0.73484479
Cl       7.61792581       9.92158259       0.29918934      -0.56289667      -0.56432131      -0.05597762
Cl       5.30697382      11.90401954       1.96164112      -0.42836028       1.01535355       0.98891980
Cl       8.12480800      12.04709019       9.99941949      -0.35846591      -0.22036394       0.57760229
Cl      12.14553060       2.22273000       9.19980595       0.45220955      -0.47753722       0.02390132
Cl       7.22117687      12.21005920       4.41481757      -0.16393344      -0.81286418       0.99144883
Cl       6.56940343       2.92903158       2.36796742      -0.01501812      -0.36828647       0.14201970
Cl       1.27012099       4.46347365       1.68165394       1.39506250       0.55905794       0.58591585
Cl       2.51598702       1.01834536       2.64332619       1.49979558       0.63804993       2.80736948
Cl      11.43876746       4.41221489      12.35837368      -0.19978988      -0.46536840      -2.89398925
Cl       2.04495263       3.93276986       6.58466054       0.55348639       0.29501849      -0.14509484
Cl      12.60560295       8.36866532       9.92380064       0.75170249      -0.08363332      -0.27266998
Cl       3.01649712       2.82987319      12.08015581      -0.01884977       0.81009332      -0.77513035
Cl      10.41011779       5.82161277       7.57396226      -2.10751573       2.43482034       1.18506717
Cl       3.01190717       9.90650498      11.65790570      -0.50617370       0.31653980      -0.43203249
Cl       5.29807597       9.83960448       8.80072357      -0.61753883       0.75483905      -0.70374695
Cl       3.31825453       6.23913189      12.21232853      -1.31379941       0.55946951      -0.29700401
Cl      11.01010680       7.57623159       0.38213673      -1.74566362       0.40776901      -0.78158108
Cl       2.54227028       9.68616155       4.30545359       0.37765113      -0.71217120       0.19632932
Cl       1.49826092      12.40950423       6.32889241       1.29940959      -0.34011944       0.85396662
Cl      11.15303643       7.40524940       3.82227762       0.10137657       0.19958502       0.39615625
K       11.16896023       8.60570182       7.19202169      -0.07470624       0.57489593      -0.02226967
K        9.22762773       0.92331408       3.25817486       0.43802761       0.73108793      -0.22340230
K       11.45517847       4.78092408       2.06154313      -1.17063719       0.12157292       1.86931927
K        9.81587262      10.16370907       1.86634188       0.99229668      -0.31664283       0.45619294
K       11.69363811       0.33412812      11.46603794      -0.31689313      -0.15948800       0.11405294
K        6.21650265      12.34669366      12.31430756       0.41574909       0.48300028      -0.87306848
K       11.81319487       4.01690191       6.83824907       1.62511254      -2.58497752      -1.37775260
K        4.01377357       3.96783556       3.03554928       0.05606244      -0.98175848      -0.41547002
K        6.77538722       9.04342699       3.56144516       0.08301839       0.49323104      -0.04616619
K        2.39378912       0.39460269       0.24651385       0.16789667      -1.30690704      -1.51990455
K        0.56567462       7.17073866       1.28578966       1.35467520       0.53761835       0.43612280
K        2.70193144       6.21745141       4.37194382      -0.27255535       0.45368996       0.47684401
K        7.75890662      10.83899640       7.26749950       0.46181450       0.54860052       0.10180765
K        1.96080775       9.27323239       7.49586894       0.18041879       0.01502292      -0.07977378
K        2.94399380      12.48072544       8.92151115       0.30550820       0.19408149       0.31826984
K        4.01091446      12.45800645       4.97185591       0.14319703      -0.22369760      -0.92145370
K        6.40148548       7.89913099      11.01438905      -1.14772587      -0.04799844       0.91190375
K        4.59304369       9.58482358       1.15865050      -0.59279195      -1.47513307      -0.10055658
K        6.69748622       2.26047532       5.25847160       0.35869638       0.58509104       0.05588955
Li       0.51108238       0.69049829       3.07482031      -0.93037864      -0.30702077       0.44859802
Li       9.95253273       6.03810987      11.62349387       0.23757241       0.42057517       0.59090182
Li       4.45228083       4.33489084       7.83892311      -0.38759194       0.43664092      -0.10284431
Li       8.61084308       7.07033663       8.37737085       0.39681170      -2.06901114      -1.69839253
Li       0.85967270       4.07454558      11.86546649       0.57451016      -0.35056257       0.65651153
Li       9.06088933       0.80072385       9.05460699       0.52646496       0.26716257      -0.62986949
Li       9.47101068       6.45738548       5.03110221       0.25532729      -0.95388231      -0.16028790
Li       1.86386741       7.84926974      10.91207667       0.38118165       0.20943954      -0.08554650
Li       4.80032241       6.21925919       0.83470746       0.71023220      -1.04980663      -1.63181775
Li       6.80068325       2.14231606      10.46877432       2.00992977       0.33187726       0.57352842
Li      10.62146080       3.08108983      10.38210368      -0.82846602       0.61491371       0.67293533
Li      12.38231067       0.23896479       6.55621052      -1.33823154      -0.18410206      -0.07070856
Li       6.09606124       8.30063656       7.42490415      -0.20776773      -0.87613891       0.33390114
Li       4.70570269       4.40418888      11.08803345      -0.25245147       0.17617643       0.42137957
66
Lattice="12.1771 0.0 0.0 0.0 12.1771 0.0 0.0 0.0 12.1771" Properties=species:S:1:pos:R:3:forces:R:3 energy=-571.38189822 stress="-0.01813681413943648 0.0015500961240839497 0.003935583672948326 0.0015500961240839497 -0.02050329374023531 -0.005477553626776777 0.003935583672948326 -0.005477553626776777 -0.015113405304784236" free_energy=-571.38189822 pbc="T T T" config_type=melt 
Cl       1.55165479       3.01561011       2.40232264      -0.39005370      -0.24304748      -0.36647055
Cl       9.67597237       7.18543881       5.25536846       0.28490946      -0.67664852      -1.07252388
Cl       6.43775270       2.27817711       4.33570516      -0.09642962      -0.45993353      -0.21871030
Cl       9.92835494       7.04226047       1.48144163       1.69156001      -2.54410102      -0.51386959
Cl       4.98914053       0.44595463       8.17353742      -0.30176190      -0.99568541      -0.41173509
Cl       6.13088978       0.82075237      11.23800205      -0.12971395      -0.00156771       0.12874344
Cl      10.03969017       2.98141681      12.09255439       0.23599846       0.25143232       0.17065940
Cl       3.05754804      11.74715095      12.08778097       0.19540209       0.86000329       0.20521432
Cl       4.87976581       4.23487878       1.54456772      -0.56138018       0.28600416       0.17108976
Cl       9.76122425       2.02535616       7.43787010       1.48560150      -0.17780530      -1.82067437
Cl      10.10816200       2.48796419       3.67735025       0.36821309      -0.60079960      -0.17167134
Cl       8.80053630      10.37658182       9.66551224       1.53524955       0.30225184       0.74925295
Cl       6.18761071       5.15115684       5.63002130      -1.95974034       0.23693701      -0.53386446
Cl       6.30588688       8.27570329      11.57483281       0.43571103       0.52062407      -0.49817962
Cl       7.10588582       4.65844702      10.87846099      -1.29138752      -1.00384401       0.30816369
Cl       7.06655379       7.72611423       2.75958658      -0.71224738      -0.84157660      -1.56410185
Cl       5.32687239      10.76111028       4.57705529       0.44053073      -0.58035186      -0.12124667
Cl       0.98959273       9.78478693       9.54106228      -0.09762756       0.57736432      -0.01910895
Cl       2.07826566       8.09968330       0.30667783       0.26897893       0.82338457       1.16195686
Cl       1.17766074       3.79232643       5.71483480      -0.64799011       0.25847909       0.39885144
Cl       1.72825927       0.46519445       4.59991170      -0.50082374      -0.41487521       0.36590115
Cl       9.16700612      10.14065050       6.11111417      -0.18345639       0.45980006      -0.45125054
Cl       3.93426271       3.05920412       9.40649315      -0.22229252       0.68004107       0.19642764
Cl       0.45490601       2.58834002       9.76602202       1.02125092      -0.92824699       0.92495255
Cl      11.71026652      11.90673185       0.81735252       0.14951943       0.77869530       0.09298241
Cl       9.05094618      10.74896971       2.58882711      -0.65092893      -0.16665690      -0.24320415
Cl       8.22861444       5.46131976       7.83092253       0.66476420       0.35869056       1.06386506
Cl       4.28301485       8.38204590       8.08223352       0.55794602      -0.31144750       0.06587550
Cl       3.22902596       6.54945324       3.74035457      -1.29457977       1.87394871      -0.49365925
Cl       1.05570951       6.95552299       8.10502905      -1.36472919      -0.02222377      -1.12711583
Cl      11.43920427       6.60767195      10.55456231       1.00697560      -0.21001378       0.11267379
Cl       3.84381121       6.16649562      11.00154712      -0.62026251      -0.62824033      -0.77299455
Cl       0.02841441       9.44612961       3.31730994       0.63674754      -0.59553862       0.15523792
K        8.89736859       6.55841558      11.24210573      -1.17308441       0.31418569      -0.49497390
K        9.78744154       7.96185071       7.84272214       0.67407889       0.27741652       1.18179355
K        8.18807687       0.98652410       0.76481077       1.15905904      -0.08984563       0.63100101
K       11.40285563       4.55522175       8.56322897      -0.50623681       0.50318442      -0.76087547
K        7.34790568      12.13745136       6.88428695       0.61504670       0.88868094      -1.24952027
K       11.63663159       0.24591775       8.57724481      -0.02967948      -0.88903676       0.24476203
K        8.76905849       4.32172585       5.35310187       0.26662842      -0.36158789      -0.01726590
K       11.35963910       8.91062946      12.10732522      -0.16576884       1.54403868       0.35384048
K        5.65757808      10.57428921       0.90118455       0.21948598       0.30414998       0.28310805
K        5.31045766       5.51467981       8.46352288       0.77170761      -0.19874444       0.28732668
K        7.08805855       7.82371369       5.37657932      -1.31807031      -0.04807467       1.99990129
K        3.69024580       2.19639570       6.18709927      -0.04748121      -0.06867847       0.05711238
K        7.59350561       4.28161449       2.17056807       0.64723269       0.20985527      -0.23938242
K        1.33414743       5.14594504       0.68252524      -0.16474297       0.23392082      -0.58062289
K        7.78824180       2.56772419       8.93767480      -1.67234820       0.51083840       1.67021644
K        4.05375659       1.63274210       2.39664811      -0.03054907      -0.73973053       0.20396830
K        6.60338561       9.90810443       8.40347760      -1.18383782      -0.46410676       0.16461658
K        2.69026235       9.91688411       6.45053865      -0.43069023       0.65878806      -0.60070307
K       12.13733690       6.48423269       4.48572704       1.04072161      -0.33557198      -0.24784674
Li       7.53548173       9.46624618       3.68004139      -0.24495029       2.41738724       0.61523549
Li      10.87869236      11.35758117       3.78280394       0.30435892      -0.43996561      -0.07495539
Li       9.27994872       8.42050118       2.57079282      -0.43729131       1.73668392       1.65670416
Li       0.62956703       1.52384229      11.78085717      -0.39427756      -0.18928359       0.17786688
Li       2.97474376       6.73091638       8.32134306       0.96078779      -0.39625881       0.50399395
Li       2.55250282      10.00111312      11.06864294      -0.12593178      -0.29527876      -0.16952267
Li       2.31227299       8.35327141       2.66419118      -0.55714572       0.34602891       0.11712177
Li       4.22256773       1.00029153      10.18274674      -0.25358895      -0.19318310       0.12985863
Li       4.70356318       3.93561437      11.45873634       0.52630743       0.35141936      -0.37646245
Li       4.66798169       7.46123795       0.44309544      -0.24106629      -0.78268151       0.05968877
Li      11.45642269       2.30333500       5.51749272       0.54142316       0.15262353       0.04738013
Li      11.86009356       1.70547592       2.43777018       0.20522962      -0.02877618      -0.41480372
Li       1.27788923       7.70582718      10.47173368      -0.15106479      -0.58108382      -1.06020075
Li       4.31400557       4.94093139       4.17737851       1.24178497      -1.21236546       0.03017219
66
Lattice="12.1982 0.0 0.0 0.0 12.1982 0.0 0.0 0.0 12.1982" Properties=species:S:1:pos:R:3:forces:R:3 energy=-569.52879192 stress="-0.02144313804357318 -0.005603652470922387 -0.0006655306326137599 -0.005603652470922387 -0.01684740645917182 -0.002592687064629523 -0.0006655306326137599 -0.002592687064629523 -0.02120069180827233" free_energy=-569.52879192 pbc="T T T" config_type=melt 
Cl       0.24018256      10.99967806       9.95641480       0.94963401       0.14307526      -0.31282570
Cl       3.25111306       9.79780161      11.72710552      -1.08993097      -0.26411833       2.23557124
Cl       8.50320664       4.55754028       1.75033192      -0.24513089       0.77320703      -1.00886050
Cl       5.88608283       0.82955811       1.84224535       0.68398067      -0.55994715      -0.32795422
Cl       8.76738306       0.10390854      11.95709038       0.49029963      -0.48952964      -1.06386565
Cl       5.11580310       0.27390082       7.69752773      -0.46068805       0.33136069       0.25160070
Cl      10.74415016       2.35725336      11.50962381       0.34961893      -0.69953248       0.35543866
Cl       9.51729180       6.68905374       3.81638984       0.24370722      -0.08797976      -0.37689554
Cl       4.95204226       7.26983444       1.67692315       2.34349504       0.55664459      -0.94026058
Cl       6.76008386       4.57521547       5.67538332       0.43631466       0.59599897       0.69170666
Cl       4.41538245       7.32298200       5.52163721      -0.30492427       0.22015215       0.54897610
Cl       9.11167726       2.13151347       4.97325493       0.61983947      -0.23301700       0.11906185
Cl       7.27268882       5.57134488      10.61087263      -0.38041276      -0.71509642       0.60481170
Cl       6.49424849      10.54457541      10.55598073      -0.46951396      -0.28589882       0.14160299
Cl       8.08808970       8.69055880       1.55492895       0.19122344      -0.88337800      -1.15131135
Cl       9.88506753       0.26697468       8.41591632      -1.08512443      -0.34200122      -1.26961044
Cl       2.29083416       9.77846746       6.62079262      -0.65209079       0.60451328      -0.64050740
Cl      11.62690950       4.45789318       5.19742125      -0.08182054      -0.07292292      -0.10302914
Cl       3.31825195      10.22669032       2.59927784       0.58155238       0.06659847       1.17324493
Cl       0.89858406       1.43711873       2.64223990       0.20672336      -0.01930062      -0.10615208
Cl      10.86257029       9.10326050      11.70281890      -1.10978076      -0.75668330      -0.25890224
Cl       0.53883963       1.74454997       7.60889561       0.85477849       0.46827991       1.55494898
Cl       3.59334576       3.07266559      10.50982274       0.72966568      -0.69585637       0.47536589
Cl       9.30762914       8.61490556       8.47593147      -0.82184551      -0.06932796      -0.14750402
Cl       4.01772113       4.15129142       3.50736064      -0.00481428      -0.08729793      -0.50628192
Cl       1.97924334       5.00166454       7.39700068       3.98035859      -0.14759712      -0.77491159
Cl       7.60213781      11.39697343       4.98106178       0.02296953      -0.43520109      -0.09973076
Cl       3.52162034       7.58142526       9.43303883       0.14364676      -0.64093968      -0.17025190
Cl      11.12036705      11.00986355       4.02080728      -1.20693632      -0.89302594      -0.05596619
Cl       1.00896069       6.40955639       0.03805838      -0.69676629       0.56627268       1.13348106
Cl       0.44978057       9.38225773       1.93918445      -0.14127123      -1.20078433       0.47789579
Cl      11.19653261       4.25792809       9.39494386      -0.60336406       0.89138440      -1.19370398
Cl       0.10467727       7.09238723       7.99938439      -0.69279337       1.24111268       0.20962717
K        9.97799342       5.94146266      11.64088864       0.69002808      -0.66130685      -0.28254059
K        0.00707496       0.72328861       5.32575852       0.26010574       0.71315008      -0.91153293
K        8.21063282      11.30443789       2.13491677      -0.09534159      -0.15086738       1.54442233
K        9.36812001       1.88992812       1.96966775       1.02045099       0.31990086       0.00663343
K        7.20554993      10.46877580       7.60133273      -0.01523065       0.07059747       0.48685322
K       10.88206301       8.38640888       5.36153584       0.38884420       0.15496795       1.12865158
K        3.39568612       0.45065640       1.05916239      -1.45113732       0.52174795      -0.47993733
K        6.97286926       6.51472927       8.17773427       0.70358397       1.08726074      -1.77373011
K        4.68488948       5.12833065       8.82686148      -0.44900714      -0.92447113      -0.95286990
K        2.04461349       2.85346393       5.12823306       0.40979709       0.71815503      -0.21274690
K        6.83121157       7.50534509       3.95149711      -0.45480438      -0.20195516       0.22493450
K        2.78612987       7.06205030       2.99174273      -1.37706745      -0.56329676       0.89216296
K        6.45573877       1.76482338      10.69190527      -0.07179900      -0.29253576      -0.06269768
K        6.90043635       2.90658710       3.27480196      -1.29960080       0.60062193       0.96617700
K        3.64584681      10.37638663       9.38219674       0.67294362       0.57628426      -2.52451437
K        1.59066968       4.93625779      10.11277133      -0.55647726      -0.23381905      -0.51025009
K        4.52519065      11.59920739       4.93034167       0.16819697      -0.06116018       0.06269387
K        3.83505309       5.84054695      11.92375270      -0.01443600      -0.45191035      -0.18475608
K       11.86270559      11.86459143       0.61989423       0.20028765       0.15880556       0.39764184
Li      11.19222664       8.42616281       9.50689894       0.53921412       0.14069152      -0.45239361
Li       2.12621945       7.20576950       6.87978480       0.56915552       0.37003761       0.37016595
Li       9.71800098       0.06343064       5.88081321      -0.99338040      -0.03017380      -0.17380212
Li      10.46961747       7.93002542       1.53958361       0.07009084       0.52042977       0.78790768
Li       5.01888840       9.99569301       0.80003724       0.14105417      -0.58152966       0.14218772
Li       0.23115589       4.28553262       7.26244233      -2.94915941      -0.81114552       0.10433214
Li       1.61483431      12.12809694       8.48214035      -0.41831825       0.20431066      -0.28718688
Li       0.94142170       8.63140973      11.88841451       0.62389711       0.31249644       0.25646698
Li      10.76424060       0.26206125      10.32782560      -0.09142719       0.21986705       0.60770277
Li      10.17925152       2.35496010       9.01462838       0.36956893       0.50956166       0.14635103
Li       7.12674956       6.36870462       0.40024612      -0.30634526       0.31307469       1.35490379
Li       8.55676894      10.03453208      11.23041921       0.10426042      -0.05993080       0.02354994
Li       1.43432535       9.63434573       4.07006361       0.27716090       0.77573905      -0.17551299
Li       8.98282767       4.63745069       4.97864654       0.55429236      -0.14276191       0.01592431
66
Lattice="12.8556 0.0 0.0 0.0 12.8556 0.0 0.0 0.0 12.8556" Properties=species:S:1:pos:R:3:forces:R:3 energy=-566.07888347 stress="-0.005042502802197924 0.003422260647682021 0.00810172924225958 0.003422260647682021 -0.008403947027561072 8.976458533528491e-05 0.00810172924225958 8.976458533528491e-05 -0.01116338247469202" free_energy=-566.07888347 pbc="T T T" config_type=melt 
Cl       9.49830864       0.10325168      10.37095962       0.48372079      -2.19407417      -0.01098203
Cl      10.17613300       2.75072559      12.18120808       0.13951260       0.69996023      -0.39392970
Cl      11.46698951       2.90802671       4.18624616       0.21390447      -0.13731151       0.06886274
Cl       1.34006774      11.81226522      11.42572303       2.71971068      -1.85565771       0.39115035
Cl       7.38654494       3.61926278       2.03964378      -0.57320594       0.27930502       0.37347375
Cl       5.09932801       0.41743676       1.90971224      -0.01589331       0.05748416      -0.17673195
Cl      11.74652168       0.80255840       1.60557445       1.64097960      -1.19574377      -0.21653814
Cl       2.08534544      10.06868590       5.98189066      -0.30401814       0.15681929      -0.53716772
Cl       8.40364144       1.72681561       7.63780764       0.00708184       0.18573796      -0.21483133
Cl       6.19274821       0.82901265       9.95501668      -0.49430585       0.36238603       0.29485130
Cl       8.08777935       8.81507206       5.92374478      -1.27508117      -0.60769358       1.50141460
Cl       4.72899674       6.97912526       4.60479879       0.42638651      -1.09382677      -1.75415915
Cl       6.60710991       4.66615857       6.22348595      -0.52578429      -1.95156892      -0.34014955
Cl       7.09138036       6.78571276       8.56024836       0.63576747      -0.48596281      -1.08733383
Cl       7.33847785       6.29834411      12.01067855      -1.21582940       0.17838235       0.42237073
Cl       4.87324943      10.31575767       8.24504190       0.00548165       0.10401981       0.04878062
Cl       7.99393347      12.52666376       4.35716136      -0.16151931      -0.46207424       0.42130292
Cl       7.79989104      10.16520574       1.19470305      -0.81337415      -0.35573160       0.46377794
Cl       3.64295565       7.37966719       0.21958907      -0.34016736       0.20458826      -0.12592049
Cl      12.73263619       5.77415702       1.37278525       0.14312070       1.11618427       0.95717654
Cl       0.44989072       5.47417159      10.87371643      -1.61220645      -0.18917281      -0.28298995
Cl      10.81258805       6.62247235       4.74502767       0.09030471      -0.27554495      -1.29460042
Cl      10.18700884       4.55044531       8.42161357       0.14281540       0.27936133       0.07839322
Cl       0.62858228       8.07812479       7.83583530      -0.67769291      -0.72140366       0.45326739
Cl       3.30379921       6.39746078       9.13666775       0.39683074      -0.60918654       0.44706618
Cl       2.14700090       0.59210965       4.31946874       0.30068181      -0.17533877       1.25142052
Cl      10.93093670      10.83508535       8.26487810      -0.20501314      -0.56490946       0.14788032
Cl      10.04558439       8.08681518      12.58299700       1.52355220      -0.15925648      -0.65941220
Cl       2.64249429      10.67594588       2.60180632      -1.60622071      -0.92140206       0.97276285
Cl       1.71007762       2.77539548      12.51225264       0.35864782       0.39973075      -0.14115248
Cl      11.76619074      11.60489153       5.25059985       0.03175682      -0.65823931      -0.44105125
Cl       2.45963624       3.81873027       6.82884330       0.44182886       1.00126024       0.41677840
Cl       0.08699654       2.11068383       9.15862512       1.70660365      -1.99843210      -0.70582745
K        4.45148290      11.71661955       5.51811203      -0.17778878       0.56385041      -0.30157630
K        9.43806730       5.33169298       0.78117053       0.30138782       0.00744318       0.17491770
K        7.75538496      10.78347011       8.43662891      -0.16669600      -0.22009485       0.37354942
K        9.45474101       1.68801741       2.38782486      -0.52113572      -0.00761910       0.87316046
K       10.50404079       7.21853510       7.24283218      -0.76374463       0.90431890       1.64901514
K        9.48384609       9.32590219       3.87798173       1.12910993       1.15217870      -1.87534601
K        2.00144980       0.84953790       1.71276444      -0.05068119      -0.13293955      -1.08038034
K       11.89497815      12.52418263      11.81812737      -2.57899519       1.11733336       0.23453944
K        5.75240534       8.19108695      10.31742890      -0.56402007       0.34057903       0.81485856
K        0.55905919       1.85645148       6.25418512      -0.85582787      -0.38605023      -0.14021521
K        2.72838255       0.36796584       9.56544058       0.38394388       0.32888385      -0.29121443
K        3.77918644       4.54028939       2.34761254       0.06224609      -0.26316413      -0.15803773
K        0.35694216       7.83116872       3.83393844       0.57113534       0.08007327      -0.05268244
K        3.79317334       7.89340268       6.79328471      -0.51027959       0.82483969       1.65632492
K        6.02349138       9.30790435       3.88953891       0.35643229       1.03053381      -0.72342432
K        0.43076544       8.84132320       0.37592988      -0.21684301      -0.00308598      -0.22050610
K        4.04622297      10.80542748       0.45977539       1.17831206       0.40839185      -1.38229558
K        7.74310786       0.92830673       0.05347403      -0.69596487      -0.40304116      -0.04929450
K        6.96734953       2.29937833       5.10445739      -0.04766992      -1.17469524      -1.05936416
Li       0.49873429      11.41788112       3.69900607       0.66437092       0.87837884       0.44936588
Li      11.74797436       3.44380955       9.80289637      -1.64321764       1.54370919       0.97617070
Li      12.76846474       4.10850835       0.09440960       0.16529839      -0.93001590      -0.53771592
Li       2.00909888       6.81281236      10.86240350       1.00240553       0.27556981       0.10081097
Li      10.43365638       4.44600642       5.03547424      -0.28616278       0.31208504       0.35044941
Li       1.03104740       6.12973006       7.12312084       0.62644195      -1.33825047       0.42040312
Li       7.73562590       3.99017255       7.85378172       0.89415491       0.08054694       0.86592719
Li       8.52840504       1.75840182      10.09389573      -1.00810572       1.54469320      -0.63209380
Li      11.24917708       6.72005921      10.64587663      -0.30779777       0.03824368       0.67042615
Li       3.92745008       3.94709343       9.20610085      -0.47224702       0.58921971      -0.45329418
Li       9.44583208      12.50321515       7.57399244       1.03887524       0.72790894      -0.16530652
Li       6.64426259       6.56117685       6.12969149       0.27444785       2.89465747       0.28584543
Li       0.00460243      10.05203790       7.14912772      -0.23414784       1.03848958      -0.43123946
Li       5.79365896       7.18795163       0.78190330       0.86438725      -0.23566032      -0.66973024
66
Lattice="10.6948 0.0 0.0 0.0 10.6948 0.0 0.0 0.0 10.6948" Properties=species:S:1:pos:R:3:forces:R:3 energy=-563.36126331 stress="-0.09097375506404594 0.002205789651477606 -0.0065352671759570345 0.002205789651477606 -0.10385321435218388 -0.00021352710154338563 -0.0065352671759570345 -0.00021352710154338563 -0.08906439771836672" free_energy=-563.36126331 pbc="T T T" config_type=melt 
Cl       2.62784070       3.02402956       1.66712681       0.43953943       0.45397460      -0.59336875
Cl       3.73691285       9.08145734       9.39918915      -0.23493692      -0.42215423      -0.04747369
Cl       5.60099510       0.94753361       1.53480005       0.01908877       1.74179213      -0.69223970
Cl       5.34785988       0.73886202       6.32218824      -0.62442024      -0.18464497      -0.19163371
Cl       4.07034463       1.20263026       9.21565569       1.67071705       0.39401884      -0.31060125
Cl       6.46818296       3.65473400       4.16406316      -0.84438651       1.66668795      -1.55982053
Cl       5.98755864       4.23305531       8.63970862       0.50568142      -0.53993055       1.49075623
Cl       5.43934320       9.72120958       3.68276507       0.21738399      -1.02662324       1.69839449
Cl       5.59541241       7.99485496       6.46344516       1.22651871      -0.44952800       1.17367387
Cl       6.88325884       9.60367372       9.61364128      -0.17958292      -0.08592640       0.24316351
Cl       9.65738301       1.26353715       1.68637745       0.26203844       0.64439099       0.06995962
Cl       9.81257525       2.50911772       4.52210367      -2.43496942      -1.62790150       0.39501370
Cl       8.54820391       0.38633789       7.25702071      -0.51584096      -0.85955318       0.47065543
Cl       9.53305596       2.73467105       8.59613801      -0.17802821      -0.46411031      -1.04171890
Cl       8.11892534       3.76633424       0.49487620      -0.78384080      -0.55519071       0.47260667
Cl       9.27850903       5.25075109       3.31300306       0.26157802      -0.19250737      -0.51467094
Cl       8.33302454       5.25817328       6.75383037       0.50717812       0.19646983      -1.04863038
Cl       8.53520973       6.50998893       9.60574852       0.21902755       0.64972532      -0.30542087
Cl       9.32081765       8.15256048       1.77993556       0.63137838      -1.33586563      -0.51935091
Cl       9.03507399       9.57771745       4.77537793      -0.98939063      -0.03233467      -0.72922811
Cl       0.41200434       8.17480567       8.70310740      -0.19781149       0.48820127       0.68793313
Cl       2.34657815       9.67571390       6.30922614       0.94833322       0.23914158      -0.09438333
Cl       6.47741257       6.31881938       1.76009671       0.32151054       0.82323624       0.22483157
Cl       3.13078506       7.17950480       4.07201302       1.60568700       3.39002657       0.96623805
Cl       1.59305463       0.66504972       3.47420578      -0.30181876      -0.98786909       0.38079079
Cl       1.59963193       8.42445438       0.90464319      -0.23591832       1.00608155       0.77035174
Cl       2.82845376       3.34284155       6.73421611       0.57898653      -1.48266040      -0.49503953
Cl       1.18790352       1.58914033       9.55390013       0.30062240      -1.84956902       0.21856917
Cl       3.54928328       5.89145517       0.43699594       0.10960601       0.85521428       1.19986344
Cl       0.35507057       4.93633467       0.35968324       0.23195891       0.08306871      -0.72532883
Cl       1.35490282       4.03757576       4.25233804       0.94298704      -0.43461678       1.11453344
Cl       0.45979619       6.99337250       5.65678987      -0.96658071      -1.13287984       0.63839955
Cl       3.14558666       6.20510157       8.09321504      -0.29178526       0.91063291      -0.87155472
K        3.06285169       0.42601239       1.05423242      -1.06901708      -0.74331943      -0.63327746
K        7.60769251      10.07836242       2.02956289       0.66878338      -1.00252992      -0.22684639
K        0.57736840       0.94635077       6.21626694      -1.30115996       0.85910215       0.05502305
K        7.57500920       6.92181359       4.35879408      -0.39292977       0.63157708       0.05345168
K        7.17390072       2.69712161       6.42055901       1.48980435      -0.04999129       2.04564318
K        1.18565761       6.10016419       2.80156703      -1.15378695       0.50447114      -1.94320137
K        9.42726300      10.14612468      10.41135572       0.94800264      -0.16161716      -1.26905858
K        0.67114469       4.75281190       7.78847741       0.03398434       0.64345204       0.29894117
K        6.89332265       1.73298539       9.83577227       0.01077484      -0.10324787      -0.77057832
K        4.05584248       1.43973398       3.93182558      -0.24417809       1.22646835       0.56079159
K        4.72120877       8.48878360       1.59538610      -1.04484755      -1.04416363      -1.60036089
K        8.75785408       8.09053064       7.27316986      -0.30611116       0.25288122      -0.28299757
K        5.16371681       3.97012366       1.62094667       1.25118807      -0.78941118      -1.36337090
K        3.28147479       3.79953090       9.45838487      -0.46404742      -0.44509201       0.38816087
K        7.01436639       1.15124175       4.00030438       2.00423022      -0.17201844       0.25737945
K        3.85076969       4.87816565       3.81479238       0.69191524      -1.93597188      -0.18033145
K        5.24970300       5.09725932       6.34250836      -0.73522013       0.78358669      -0.52707305
K        0.78104873       8.78293338       3.66827362      -0.22060382       0.50489450      -0.24331336
K        5.81907276       7.08374356       9.56139718      -0.60200305      -0.93466817      -0.18377515
Li      10.48265367       7.04865392      10.55676008       0.01706735       0.27364761       0.47129056
Li      10.24842044       4.33797130       5.48092458      -0.59125043       1.05926787      -0.67029564
Li       1.62290382       9.74336920       9.67738229       0.11282045       0.43824057       0.13050280
Li       8.62616900       4.47999825       8.79492225      -1.50010524       1.06707570       0.58568076
Li       0.89208001       2.52082853       2.74452097      -0.96743442       0.12408833       0.25203297
Li      10.30473925       2.82028293      10.62941199      -0.14225677       0.05777698       0.43468638
Li       2.53660336       0.69587213       7.75845710       0.75390001       0.74871761       0.28704306
Li       2.42677846       7.38395729       9.97233418       0.51423046      -0.88740260      -0.72023016
Li       8.71451875       3.26115467       2.59468682       0.10744148       0.09727795       0.20865647
Li       1.74638598       7.84983347       7.13901429       0.87654991      -0.97089132      -0.29822265
Li       6.79629942       9.74544399       5.72419919       0.65886970       0.20547329       0.15539467
Li       4.26451942       9.03434674       5.31049225      -1.35266188      -0.12491431      -0.33738395
Li       8.66895890       5.76262561       0.87774683      -0.06471135       0.39380584       1.51161170
Li       5.29774404      10.14968604       7.99572124      -0.20774772      -0.38536259       1.07875637
66
Lattice="12.9495 0.0 0.0 0.0 12.9495 0.0 0.0 0.0 12.9495" Properties=species:S:1:pos:R:3:forces:R:3 energy=-570.21722818 stress="-0.0010251397746522404 -0.0010889926287457657 -0.001585595811984526 -0.0010889926287457657 0.00041369001481812164 0.0013208564976708466 -0.001585595811984526 0.0013208564976708466 -0.0011529426319288355" free_energy=-570.21722818 pbc="T T T" config_type=melt 
Cl      12.32947794      10.94364835       9.66436724      -0.04251106       0.89549146       0.47918491
Cl      11.65831830       7.70036838       2.99541359      -0.12574660       0.29995757       0.05314783
Cl      12.17655729       2.62510969      11.10937605       1.14799754      -0.22274887       0.12128728
Cl       7.04727329       2.43277077       2.21593139      -0.13247272       0.14838003       0.23126596
Cl       4.78451651       3.51226699       6.15766854       0.03494457      -0.10004175       0.47985576
Cl       8.64067042       3.04128072      11.90470844      -0.75192970       0.52134829      -0.25043723
Cl       0.49182201       1.79320791       7.59840401       0.20133062      -0.29236021       0.77973653
Cl       5.01996432       9.16161586      11.31295514       0.72313235      -0.89133008      -1.43388227
Cl       9.21979796       0.58932657       8.62397851       0.13758632       0.30234424      -0.12364651
Cl       8.52923997       5.90414323       7.84950777      -0.34552711      -0.04193866      -0.03401509
Cl       5.29827498       5.70099148      12.40154191       0.34676700      -0.35894695       0.34174227
Cl      11.89344238       1.01398340       2.97736199       0.06974040       0.51367530      -0.55632592
Cl       7.47697655       8.37918117       1.91778210       0.08596503       1.44731069      -0.60658181
Cl       7.78099196      11.87979360       3.28965213       1.70379887      -0.03379905       0.67348702
Cl       7.84065031       9.57691927       6.59483071      -0.44068500      -0.52625878      -0.53347520
Cl       5.10737345       6.70080942       4.58460213       0.10416937      -0.61402009       0.29793150
Cl       8.40601253       6.70268710       4.20910548       1.43166454      -0.65236523       0.31634978
Cl      10.82922657       5.42371678       0.55857798       0.55734246      -0.79738964       0.99679473
Cl       4.11257991      10.97141208       5.85248768       0.37594443      -0.14683250       0.10898586
Cl       3.20607606       0.21943705       3.07304585      -0.35512664       0.46516260      -0.50524116
Cl       3.34449326       0.77828826      11.39724344      -0.41274705       0.46980101      -0.48454139
Cl      10.59366221      12.71714712      12.68679349      -0.46941297       0.13470627       0.29111913
Cl      11.16593947      10.04136604       6.16630586       0.45594886       0.50100689      -0.69645207
Cl      12.60848787       4.21721187       5.20542706      -0.10451456       1.17452416      -1.08976161
Cl       9.32597091       8.03541079      12.53775770       0.20774758      -0.21584477      -1.19073542
Cl       0.86466660       7.85040128       8.90389491       0.65483174      -0.08486143      -0.18402409
Cl       2.09092987       7.99061847       5.60074940      -0.84334276      -0.06556222       0.15566120
Cl       1.42261912       6.46609973       0.20926392       0.18180910      -1.22116283      -0.51661586
Cl       2.98833022       5.20238393      10.15361230      -0.70002673      -1.10649680      -0.37386795
Cl       0.53257797      10.34728503       0.46743422       0.19866965       0.17249124       0.49948967
Cl       3.58212954       9.22065263       2.19589851      -0.54873905      -1.58021179      -0.19144047
Cl      11.51763494       5.71786467       9.76248561       0.37685890      -0.30217583       0.30344074
Cl       6.50533672      12.05571256      11.99044708      -0.11711785       0.30458089      -0.03635288
K       10.94952742       3.34277098       7.21763692      -0.65272228      -0.11893269       1.10692035
K        9.95200154       2.31460658       1.52883092      -0.37524559       0.09325251      -0.59688230
K       11.24419329      10.70179054       2.67497822       0.17498550       0.36346706      -0.86536873
K       12.21537990       7.35686994       6.46945365      -0.17648077      -0.09348132       0.08348098
K        8.62866623       0.41114663       5.85729194       0.24142460      -0.53887016      -0.07804148
K        8.20872690       9.34056500       9.82081015       0.12053402       0.06361850       0.07448327
K        0.94512832       3.42502620       2.25874244      -0.13392125      -0.22420819       0.39858358
K        5.32777394      11.06581393       2.69837796      -0.03698993       0.82093818       0.07513461
K        0.79634245       0.20830566      12.88875390      -0.62592629      -0.03101003       0.11292211
K        1.80615741       6.97667262       2.84793174       0.07541602       0.45317232       0.69549369
K        3.29230678       6.01232336       7.36311160       0.45796401      -0.16116272      -0.50108675
K       12.74694910       8.21483906      11.72926862      -0.84843685       0.41476955      -0.50202839
K        4.91814240      12.13914619       9.32672198       0.12693509      -0.27975136      -0.10844144
K        0.01277378      12.49312077       4.83066853       1.30501997      -0.63347526       1.51697943
K        3.66232579      10.82044681      12.73391672      -1.00542659       1.34343344       0.73900988
K        6.38205748       4.34621479       9.95412526       0.32648708       0.09470196      -0.50824183
K        5.53910978       0.85815948       4.92201430      -0.64980797       0.17940178      -0.33597358
K        7.21454199       5.51453163       1.70684770      -0.35391942      -0.78540695      -0.03811678
K        5.08192768       2.65235544      12.87678946       0.31162696      -0.22540732       0.35706206
Li       0.45581334       9.90735166       8.20563197       0.00195887      -0.04059884      -0.54035538
Li       2.02717948       2.90834115       9.84730483      -0.18877431      -0.32945413      -0.00490099
Li       8.23669782       0.41244158      12.35339567       0.77809095       0.04230243      -0.18324782
Li       8.85255014       9.47867141       3.89329307      -0.66015267       0.10477232       0.65963079
Li       6.52836093       7.96023894       3.66442361      -0.29634055      -0.00624281       0.53408659
Li       4.19967824       7.64879052      12.61685713      -0.26656014      -0.32449767       0.30338569
Li       9.34640522       5.50941657      11.95534099       0.01928114       0.01782460      -0.73158539
Li       7.40229679       7.11471429       6.15237220       0.16725503       0.09699336       0.83349870
Li       0.86415251       5.62131320       9.22638925      -0.42019964       0.32950411       0.45753441
Li      10.83390134       6.07354859       4.13380414      -0.23167796      -0.63828098       0.15806577
Li      12.25710318       0.49462169       9.55537130      -0.47751036      -0.06267290      -0.19309432
Li       9.64561637       7.26106954       1.63962684       0.39390581       0.34579377      -0.13114794
Li      12.54816910       4.77951801      11.86074489      -0.38067198       0.20066971      -0.15210981
Li       4.10547063       8.50909055       5.08376651      -0.32647002       1.43240460       0.04226780
66
Lattice="12.9738 0.0 0.0 0.0 12.9738 0.0 0.0 0.0 12.9738" Properties=species:S:1:pos:R:3:forces:R:3 energy=-567.84230593 stress="-0.01032355148319488 0.001002575464618838 0.0042805235770920075 0.001002575464618838 -0.003952348578671759 0.0008255587010997284 0.0042805235770920075 0.0008255587010997284 -0.008445912775361353" free_energy=-567.84230593 pbc="T T T" config_type=melt 
Cl       5.30785403       5.48340252      12.64737919      -0.40403156      -0.37297396       0.25286599
Cl       7.56039113       2.79805945       2.15160094       0.04721778      -3.07348459       0.53187716
Cl      12.05337376       4.58453873       6.46939834      -0.18184390       0.04767927      -0.82478519
Cl      11.02212532       4.71469189       1.52462908      -0.28241485       0.44072604       0.21465615
Cl       4.71736450       3.83907716       7.05825318      -0.02900722      -0.82812771      -0.27277419
Cl       8.71233484       3.28718468      11.40495621       0.04148122       0.76040528      -0.18231462
Cl       4.97104121       1.40476414       9.64134973      -2.73123821      -1.25235100       0.56031463
Cl       5.76449287      11.91573471       4.47873739      -0.44092050       0.21696283       0.02392065
Cl      12.31170806       2.16473043      10.32754699      -0.16411926      -0.00633375      -0.51753517
Cl       5.23915776       6.85961133       5.02362402      -0.21292937       0.10253141      -0.01551227
Cl       8.59134118       5.87977806       4.61526069       0.23325068      -0.72147722      -1.42874221
Cl       7.02238062       6.26373767       9.43934767      -0.73682681      -0.02192603       0.21180389
Cl      12.80302587       1.03480326       3.38272374       0.14634291      -0.15866715       0.22540033
Cl       6.51030474      12.36069713      11.99867622      -0.28827819       0.15157929      -0.95392489
Cl       4.56571375       8.72061212      10.01329560      -1.31313864      -0.00696816       0.29843678
Cl       6.03843466       8.54314351       1.98925978       3.19602486      -0.42214193      -1.04155091
Cl      11.36277839       7.64895029       4.07142494      -0.32629655      -0.25040564      -1.07479842
Cl       0.51838115      11.18588062      10.80865441      -0.55813857       0.19773126      -0.69232097
Cl       8.32593615       8.50777693       6.98122773       0.25825259       0.63343211      -0.47835122
Cl      10.19405956       6.00398922       9.22648653       1.18673352      -0.47912019      -1.35564354
Cl       2.08749739       9.55938126       6.00450817      -0.02672400       0.12062527      -0.31791038
Cl       9.87295801       8.19896157      11.71396618      -0.46788564       0.07037005       0.39932434
Cl      12.49965951       9.08731658       0.92842978       0.80378750      -0.02797158       0.01623627
Cl       3.40924219       9.85559907       1.86447777      -0.83143531       0.42962356       1.24973151
Cl       2.61319577       4.33801058       9.78160948      -0.54030154       0.45394849       0.47573189
Cl       1.01222236       6.53018060      12.70498286       0.46350621      -0.65054726       0.11251981
Cl       9.83984887      12.28260783       0.05607017       0.37757559       0.48148394      -0.19267630
Cl       2.09595631      12.84168779       8.48949685      -0.14629215       0.80001356      -0.78456930
Cl       0.20317230       7.38341553       9.59214011       1.01041747       0.50851436      -0.38512731
Cl       3.05315030       2.01031626       2.14043050      -0.40634280      -0.46599256      -1.03981503
Cl       9.58470612      10.88032168       2.95300554      -0.73884961      -0.62453340       0.54069555
Cl      12.20515425      10.54232825       7.30339313       0.91013271       1.84023347      -0.87135501
Cl       9.87214066      12.23601892       8.81965411      -0.44183216       0.57114935      -0.42435684
K       11.29092948       8.08835992       6.66508217      -0.08621079      -1.71132921       0.95857713
K       10.19718625       2.42390803       3.34385424      -0.00106571      -0.05281858      -0.22403713
K       11.74726992      10.97640565       4.76046346       0.33820462       0.46583868      -1.45550072
K        7.36731504       9.45352803       9.54339754       0.55237178      -0.26952884       0.59454872
K       10.21694534       3.05001064       8.18724623       0.32375386       0.32818350       0.65654984
K        0.66737487       3.85860273       1.61854642       0.68062252      -0.34076343      -0.02102733
K        8.25038971      12.06376577       5.63537761       0.33829800      -0.34771152       0.22747121
K        5.97924818      11.45258303       1.49982318       0.30487728      -0.34763488       0.81600614
K        3.48087054       2.76088951       4.62347311       0.44483200       0.67305347       1.04571066
K       10.91221128       9.43452141       9.10511663      -1.47243364      -1.20600338       3.12039370
K        0.85056622       8.47433047       3.26345560       1.53633272       0.25633253       0.37651632
K        0.83759112       0.86604007      12.31344655      -0.08579460      -0.32684640       0.12818052
K        7.32482585       5.18221575       1.68101527      -0.01175436       2.95312688      -0.40375771
K        3.31581786       6.21813476       7.60054504      -0.00459672       0.62664174      -0.20633838
K        2.88142908      12.38751398       4.70769902      -0.23450768      -0.55662157      -0.06091800
K        6.82677464       2.86364200       9.26980605       2.00905792       2.44095523      -0.63012772
K        5.24338722       1.88627376       0.29765400       0.48395198       0.42453302      -0.59314306
K        2.35519878       9.90727371      12.41277397      -0.26292782      -0.34410218      -0.26812574
K        4.66173284      11.70571484       9.38555829      -0.01239753      -0.34234683       0.08486111
Li       2.34511814       7.67348375      10.60652261      -0.65666357      -0.60456028      -0.27571686
Li       2.90596254       2.58003474       8.46537855       0.65395849      -0.21113933       0.35908703
Li      10.66893956      10.01814781       0.87598060      -1.39988028       0.92202464      -0.53758569
Li       0.01024930       5.38428269      10.67802122       0.06347959      -0.02170768      -0.26843612
Li       0.93137483      11.01092893       8.37185043       1.27307474      -0.56706213       0.50157277
Li       4.57046216       8.32895905       3.25089696      -1.14120829      -0.20982484       1.51119739
Li      10.67501130       5.57385585       4.83960364       0.86112004      -0.05362062       0.12763620
Li      12.21798533       6.74426127       1.18419138      -0.68854952       0.29822302      -0.53321090
Li       9.02165618       1.45275423      12.36719701       0.22546169      -1.25254952       0.41989206
Li       8.09423706       8.55584486       3.34631926      -0.13275590       0.15082371      -0.05155509
Li       7.47347965       6.48813251       6.16049217      -1.36397833       0.73399633       1.34494954
Li       5.15826612       6.79664947      10.98214007       0.93388501      -0.52481808      -0.37142638
Li       9.06376913       5.90265086      10.92037181      -0.76534066       0.23645427       0.65510988
Li      12.14090799      12.76257356       8.89792504      -0.10909306       0.31681488       0.71319542
66
Lattice="12.9938 0.0 0.0 0.0 12.9938 0.0 0.0 0.0 12.9938" Properties=species:S:1:pos:R:3:forces:R:3 energy=-569.61286029 stress="-0.0011561078759688265 -0.0007326387832409444 -0.002503537629950667 -0.0007326387832409444 -0.003022304050087909 0.001391421676648148 -0.002503537629950667 0.001391421676648148 0.0020445774501217837" free_energy=-569.61286029 pbc="T T T" config_type=melt 
Cl       9.55285985      12.26805729      12.55624678      -0.08572145      -0.35799992      -0.17852325
Cl       0.27466294      11.92022626      10.00857840       0.67553703       0.91027936       0.63019326
Cl       9.40987607       8.40299950       2.86367759       1.21570082      -0.76109961      -0.18146704
Cl       8.13346911       1.74662660       4.86953050      -0.12438133       0.20292543       0.06375584
Cl      12.93215741       2.25156566      12.57005919      -0.40120081      -0.97384537      -1.55625411
Cl       6.63549187       1.07882584       8.65532611       0.06224027       0.41541490       0.11550958
Cl      10.89219578       1.27637058       9.23585011      -0.38699730       0.11724933      -0.15661091
Cl       8.44048662      11.21377934       3.85293457       1.05565199       0.42363691      -0.29479964
Cl       8.42651828       2.81107869      12.64954226      -0.35390484       0.57595146      -0.26207242
Cl       4.51702170       4.85461362       2.18848076       0.64819097       0.69433903      -0.62623379
Cl       4.30922485       7.88420904       1.02835662       0.49348304      -0.25443150       0.53026477
Cl       4.24720544       8.56570787       5.10688825      -0.54581772      -1.63595728       0.12533059
Cl       5.67275524       5.59904141      10.51180229       0.67002794       0.66935156       0.66036856
Cl       6.02567984      12.09750067      11.18763581      -0.03542796      -0.43324265       0.45253200
Cl       5.40452423      11.21437705       3.98891469      -1.29685804       2.66389482      -0.66681750
Cl      10.26918205       3.92733707       2.32244684      -0.00801204       0.87442473       0.06485823
Cl      12.53478102       5.77966823       0.36642906       0.20563832       0.14582069      -0.58425535
Cl       2.68357053       9.07765059      11.23653148       0.52335171       0.28552816       0.03862810
Cl       8.82516807       5.96679194       5.99763922       0.31999438      -0.07010355      -0.68232447
Cl       3.90697578       1.36864995       0.56904398       0.41212449       0.49461553       0.22403461
Cl       1.65838570       0.40271554       2.94614924      -0.33335051      -0.22731422      -0.64638474
Cl      12.71976076       8.75836694       9.63698171      -0.14830685      -1.17824034       0.33910494
Cl       1.58020201       3.42516568       4.54059245      -0.48790783       0.02038992       0.81420122
Cl      10.66749400      10.96819652       7.75997532       1.23342613      -0.76746586      -0.36032125
Cl      12.53179245       6.04279268       4.61503393       0.45776946       0.58099108       0.39172453
Cl       2.11310373       1.63537368       7.95329708       0.17849446       0.91971470      -0.07960347
Cl      10.47872007       4.62068624       9.78362973      -0.23032927       0.75534162       0.33164116
Cl       4.18079413       4.89412776       5.95323941       0.13145279       0.03974339       0.21792554
Cl       9.20483391       7.56812187      12.33400082      -0.21284860      -0.61696089       0.18374389
Cl       1.25322732       5.64406493       9.11906183      -0.49869086      -0.38540282      -0.04295797
Cl       1.26504518      10.27912231       6.35742455      -0.51675082      -0.36097094      -0.10195764
Cl      12.32168270      10.95520272       1.79426187      -0.52409307      -0.43632620       0.28004320
Cl       7.42217550       9.04582878       8.35012773       0.01105050      -0.15296397      -0.06696434
K       12.54985383       1.96350611       6.92904780      -0.64844587      -0.12092832      -0.60006824
K       11.28456956      10.28638584       4.76043456      -0.05536524       0.28974179      -0.02668381
K        9.74505114       0.75365339       2.19966843       0.46677982       0.50020755       0.21932576
K        5.77649774       8.95128589      11.87044701       0.09001643       0.52067141      -0.81838470
K       12.42625680       7.43627378       7.35854487      -0.16262009      -0.45249776      -1.09398660
K        1.12205621       3.37988229       1.59040214       0.71598752       0.30081942       1.22934019
K        3.53630165      12.74022599       9.41697069       0.40835727      -0.72657721       0.39563751
K       10.02754935       9.39006053      10.08148661      -0.81614794       0.33504697       0.05293277
K        4.13412040       2.72416316       3.73693892       0.29698500       0.25178648      -0.18146227
K        7.75449194       6.25018672       2.55850521      -0.54971393      -0.93852143       0.00275767
K        3.29522768       0.56569418       5.01300804      -0.20567377      -1.45479764       1.61151798
K        5.05309391       3.13041432      11.54531615       0.16163088      -1.30391213       0.02937251
K        8.07808953       3.65086799       7.68335088       0.05989136      -0.53561138      -0.02534533
K        3.79542401       6.47053558       8.37510181       0.74049255       1.06073010       0.06829668
K        3.42077378      11.50838777       0.77418360      -0.13490365      -0.14616605       0.13274960
K        1.32379535       8.19833416       3.64997141       0.28953163       0.49675687      -0.05986406
K        6.57144543       1.01413231       2.49046967      -0.02538461      -0.55522386      -0.34319045
K       12.96717051       9.85096361      12.10586868       0.38892344       0.35384844       0.65272353
K        8.41603228      12.21146929       7.16268932      -1.12635034       0.56871878      -0.70983710
Li      10.00646041      10.90539748       1.26719566       0.09333658      -0.43623860       0.35697846
Li       1.82219854       4.31092704       7.46202749       0.43784451      -0.89077007      -0.83060925
Li       4.03195015       6.35518962       4.13361364       0.25764265      -0.06480840       0.19842484
Li       8.58843402       5.34806617      11.23524510       0.34711250      -0.24834298      -0.02101255
Li       5.99170106       9.35534109       4.20582019       0.71872244      -0.58914934      -0.16694300
Li       0.10333865      10.54028470       8.39107120      -0.11525366       0.22993267      -0.73594152
Li      10.66764992       6.19867930       3.67777815      -0.65228584      -0.44703638       0.19367436
Li      10.84249450       6.90675044       1.03815654      -0.63898477       0.34437433      -0.24960754
Li      11.20524241       3.51568049      12.84583960      -0.73339818       0.31282762       0.20362993
Li      12.86445971       1.18046984      10.37575720      -0.36708461      -0.20465728       0.26190228
Li       8.17298326       0.05645598      10.60656607      -0.30993634       0.33395426       0.28247502
Li       5.35675902       5.86961131       0.17153895      -0.82203792       0.47751023       0.07923114
Li      12.31562759       5.88676313      10.37135230       0.01732622      -0.00189394       0.38097186
Li       7.82812780       7.70397204       6.62582448      -0.23052901       0.56291834       0.53468221
66
Lattice="12.9955 0.0 0.0 0.0 12.9955 0.0 0.0 0.0 12.9955" Properties=species:S:1:pos:R:3:forces:R:3 energy=-569.17105735 stress="-0.004506882347586932 -0.00019224113996009197 0.0031793384036876843 -0.00019224113996009197 2.6677033883229663e-05 -0.002009276354558575 0.0031793384036876843 -0.002009276354558575 -0.0034863362549947406" free_energy=-569.17105735 pbc="T T T" config_type=melt 
Cl       5.28489298       6.22997772      12.10194242       0.95442654      -0.31929440      -0.12141471
Cl      10.51126722       6.91519145       2.54068523       0.44678583      -0.11671200       0.26273467
Cl      12.05261150       3.11997264      10.74474438       0.33019833      -0.52253676      -0.17275931
Cl       6.67901123       0.57559019       8.66858330       0.90950388       0.32445071       0.20872444
Cl      10.50726461       0.57523281       8.43583389       0.19095269      -0.73231506      -0.20518307
Cl       8.21413066       2.31452454      12.45965655       1.58007216       0.37153420      -1.36243394
Cl       5.88709146       4.84882898       2.53978854      -0.41461551       0.29352161       0.26547445
Cl       5.79800730       9.52963914       7.38295148      -0.31158777       0.24337636       0.74705954
Cl       5.30330760       8.41323472       4.38282334      -0.54413878      -0.45907328      -1.40981412
Cl       8.13453323       7.69065893       5.72141183       1.14123910       0.47966287       1.28258724
Cl      11.58895805       4.15177635       1.06690716       0.46656435      -0.83732301       0.16803095
Cl       6.06930136       4.76418929       7.24866898      -0.34776335       0.01882176      -0.44841232
Cl      10.88369226      12.53584917      11.52647568      -0.60996099       0.28780675       1.00597888
Cl       8.39630158      11.88237045       3.01673638      -0.29879353       0.13018340      -0.11408305
Cl       7.10930523      11.22659153      12.36356782      -0.00384992       0.49394578       0.60699687
Cl      10.30379407       2.90108943       4.77328614      -0.92362060       0.66304602      -0.03498015
Cl       3.67980578       8.52103239      10.47098117      -0.02511780       0.76002012      -0.02772294
Cl       4.15525914      11.60537136       3.77725903      -0.85944690       1.21196688       0.43953535
Cl      11.13334881       8.26693138      10.84588835      -0.82545337      -0.74990117      -0.90068510
Cl       4.08908606       2.70575407       0.97576322      -0.30270136      -0.55246560      -0.72500686
Cl       1.13884375       0.19365504       2.57004206      -0.45091363       0.12427336      -0.22593905
Cl       1.57089604       2.75242091       5.07190973       0.52774553      -0.88240675       0.95472873
Cl       3.27616555       0.20572136       8.58257908      -0.73229587       0.35706055      -0.47515259
Cl       2.84856162       8.78176111       1.53777051       0.87678903      -0.85564929      -0.66156621
Cl       0.98348514      11.63827597      10.72499122       0.70117765       1.43833525      -0.63499078
Cl       9.65140697      10.19763383       7.30625204       1.30568115      -0.41702625      -0.41461251
Cl       1.01542289       5.84845583       4.56547510      -0.01056845       0.63279944      -0.66016816
Cl       1.04318387       4.63216800       8.23231137       0.43174296      -0.33215219      -0.70873895
Cl       1.28357593       6.75546376      11.83462498      -0.33450246      -0.89848188       0.05183431
Cl      11.82700962      10.20640579       1.76486687      -0.49667932       0.33137116       0.18197641
Cl       0.73957520       9.65650121       7.19161873       0.24747493       0.29710817      -0.12495936
Cl       9.27968369       5.09356023       9.72141373       0.11901988       1.21877144       1.32180586
Cl       8.69981148       8.42533353      12.98642914      -0.36717912      -0.58204036       0.00847733
K        9.79830810       9.25950168       4.33961331       0.68647773       0.58608704      -0.77305151
K        8.70795966      10.62360033       9.81525424      -0.10130378      -0.00055352       0.74286514
K       11.18248480       0.83230589       3.19195471       0.15654727      -0.54942998      -0.54781117
K        4.84955673      11.33243987      10.56019528       0.00674402      -0.10898567      -0.59190082
K       11.86240936       2.19390031       6.86574357       1.47711414       0.96237753      -0.20181241
K       10.95571332       7.44900760       7.87120541      -0.11354845       0.17220461       0.18946485
K        1.59714695       3.16255889       2.11729184      -0.53072879       0.38180570       0.38335137
K        5.18647806       2.33518739       4.50768411      -0.33073974       0.40981640       0.14095347
K        2.64474020       7.42818881       7.84782650       0.24684796      -0.03607834       0.04348034
K        1.97605674       0.50747427      12.83644418       0.17281441      -0.13116255      -0.12109974
K        1.96517951      12.63405616       5.27912298      -0.00424879      -0.08742941       0.52550891
K        1.00654176       8.95232704       3.53157911      -0.53557862      -0.03513558       0.67087120
K        6.59457947       1.50009656       1.28420621      -0.31714960      -0.90357321       1.06516256
K        7.63176332      11.55996509       6.22732664      -0.97816500       0.46602817      -0.11998239
K        8.47355983       3.33915474       8.02251202      -0.77411026      -0.83265258      -1.48119105
K       12.91915144       9.69590356      12.11150710       0.81260627      -0.33239191       0.97672864
K        8.07553366       5.63726596       4.23754665       0.37902462      -1.53538058      -1.10119272
K        5.65921536       8.25475460       0.88822553       1.32769821       0.96236465       0.17780090
K        5.80195793       3.70293777      11.39360969       0.00204386      -0.79803729      -0.42069982
Li       2.48885917       2.83485137       7.66234173      -0.11560321      -0.06663454      -0.30288789
Li       3.46142940       7.12319742      12.62029392      -1.66002396       0.64673609      -0.80797178
Li       9.52787175      11.45224539       0.52287524      -0.16476454      -0.47180613      -0.13103547
Li       8.22061542       6.52183066      11.61870475       0.23662905       0.22393967      -0.19077838
Li       6.18080275       7.54326397       6.36073844      -0.76453361       0.07369208       0.46663557
Li      12.24334645       0.86926510      10.32062324      -0.06186835      -0.50826049      -0.32067737
Li       1.97759021      10.95928709       8.82883081      -0.06568868      -0.03208168      -0.24674408
Li       0.59636349       4.91696438      10.26197455      -0.28792202       0.50010115       1.26071396
Li       4.13058069       6.86729004       2.81343478       0.08071192       0.00250188       0.79713019
Li      12.43968247       5.35887636       2.97034245      -0.79317679       0.38567196       0.03208643
Li      10.96678549       7.59347858       0.07387747      -0.47007184      -0.08172819       0.42173536
Li      10.83602477       2.42676667      12.52862367      -0.40960987       0.46969935       0.20933620
Li       9.23123647       1.42269536       9.77582589      -1.06593918      -0.27860367       1.44661388
Li       5.80076235      10.87285402       3.01767206       1.58933038      -0.87377878      -0.26892421
66
Lattice="11.7861 0.0 0.0 0.0 11.7861 0.0 0.0 0.0 11.7861" Properties=species:S:1:pos:R:3:forces:R:3 energy=-572.16984572 stress="-0.027595844700269892 0.002382552504163966 0.0037476032367779267 0.002382552504163966 -0.029520171200840432 0.004275038439008035 0.0037476032367779267 0.004275038439008035 -0.01744804043891339" free_energy=-572.16984572 pbc="T T T" config_type=melt 
Cl       2.29012173       2.48474560       0.88974919       0.95103898      -0.60172157       0.50749233
Cl       6.88064268       9.03939654       1.20708522      -1.40266069       0.89872129      -0.28274963
Cl       3.92292088       7.90005782      10.50231084      -0.43168813       0.97137739      -1.12989511
Cl      11.11445731       1.28434310       7.15659064       0.75119951      -0.18604680       0.18135048
Cl       0.17843802       7.98648530      11.38737624       1.40557846       0.28511943      -0.09720798
Cl       7.86856537       1.64137943       6.44247084      -0.02749680       0.26718666       0.07764354
Cl       8.11145331       0.61633642       1.94524866      -0.90952915      -0.29767633       0.12031696
Cl       4.37594321       1.48171313       3.22442945       1.07263173      -1.33260454       0.16843552
Cl       9.96156458       3.12576801       3.82623950      -0.45680670      -0.57874689       2.41034438
Cl       6.71979777       2.13420342      10.09399320       0.33868447       0.09188980      -0.03788157
Cl       5.10736500       5.44543749       0.31576612      -0.98602834      -2.51724393       1.19363878
Cl       9.33204540      10.57466571       8.90629611      -0.26942656       0.15150340      -0.86608717
Cl       7.76080505       7.16565415       5.46059442      -0.50179894      -0.19446570       0.65791930
Cl       6.61947449       4.35214707       3.99488681      -0.48708719      -1.58714624       1.04333677
Cl       6.06216875       5.17539437       8.10616136      -0.08309457      -0.09108347      -0.15000659
Cl       5.00420127      11.02373969       8.30033735       1.61218077      -1.06118365       0.22165594
Cl       8.67343813       4.82166994       0.93662015      -0.07615444      -0.62816467       0.26059340
Cl       9.36121600       7.96821684       2.52012747       1.08709077       0.94336807       0.38160820
Cl      10.15401980       1.93493582      10.76382083       0.43606628       0.41558839       0.12609841
Cl       1.71486576       9.63169521       8.11326837      -0.34527136       0.19496089       0.90383094
Cl      10.87112148       9.62910227       5.17469899       1.34658921      -0.77459330       0.55391592
Cl       1.23532471       1.81787628       4.50765288       0.66599072      -2.33614077      -1.38777234
Cl       2.76887311       0.98049745       8.61659377      -1.95314571       0.29291313      -0.60702293
Cl       0.16594711       5.48579310       1.95135386       0.64074999      -0.31554888      -0.39957379
Cl      10.97437951      10.85799177       1.87760823       0.68889263       0.87459793      -0.53485694
Cl       1.81134678       4.32798557       5.74881171       0.92036712       1.37432262       1.15343161
Cl       4.05164867       6.85054098       4.25290811      -0.32294970       0.57687038      -0.14271588
Cl       9.33270542       7.18417011      10.53268362       0.00171376       0.43673241      -0.95225956
Cl       2.05777056       4.56752626       9.48558293      -0.34981745      -0.08182495       0.36314855
Cl      11.00240685       4.75388808       7.81312355      -0.20936375       0.64477023       0.01824666
Cl       2.73497629      10.59782540       0.68278292       0.14603042       0.32342187      -0.41569887
Cl       2.74862459      10.34048769       5.20406995       0.20726282       0.57518309      -0.40668867
Cl       6.68764529      10.63780385       5.26364869       0.37647925       0.18244272      -0.26359954
K        9.08491446       4.53018790       9.94937775      -1.03253470      -0.92913657      -0.54345788
K        9.74084628       5.67338067       4.05682276       0.35904086       0.81820189       0.21288727
K       10.67832446       1.98550998       1.75342988       0.63840319      -0.54680519      -1.16396651
K        9.77461346       8.10837714       7.10344711      -0.00351754      -0.65268740       1.27983468
K        0.86887129       8.96519125       2.83981365      -0.14207107      -0.38648804      -0.27479194
K        6.25266748      11.26920880      10.98643669       0.12288351      -0.22599992       0.40229362
K        5.33952760       8.53757976       6.77470921      -0.17207825      -0.50241218      -0.20742971
K        9.66834998      11.74023722       4.36066842      -0.41435517       1.39601660      -0.47670289
K        7.01044300       6.53795003       2.60941897      -0.89873370       0.93858089      -0.26797443
K        9.12523471      10.09886085      11.60177718       0.50702750      -0.45523644       1.12049223
K        6.60282073       7.09115421      10.95665321       0.84341605       0.79694494      -1.19787872
K        3.94701167       2.52711663      10.35631642       0.89844868       1.06019047       1.05826825
K        4.91806845       1.60903837       6.82733415       0.34167152       0.27039485      -0.65820080
K        3.03401322       6.97143101       1.27815540      -0.58097662       0.15484817       0.21278261
K        6.51271599       2.88819559       1.54623025      -0.04867829       0.49438152      -0.79839226
K        3.49977632       3.95621661       3.36210289      -0.49866249       1.41568651       0.12517659
K        0.31468887       0.06930227      10.14099616       0.49594692      -0.77224858      -0.02319306
K        4.67598196      10.41292506       3.17845188       0.44235912      -0.80325617      -0.66445331
K        1.52302341       7.98931396       5.81403599      -0.02583657      -1.35192923       0.04753157
Li       2.13537024       0.85015732       2.31330499       0.04388233      -0.51534688       0.69062592
Li       1.63995331       2.78453684       7.49075014      -0.51909862       0.16293176       0.19893175
Li       3.87139205       5.18802907       8.37055894       0.04130099       0.43992261      -0.04167201
Li       0.00289431       5.96883462       9.93384367       0.01794686       0.45735508      -0.23806818
Li       0.76073972       3.28828654       0.01237540      -1.62757839       1.53235791      -1.03259171
Li       8.22731068      11.15535507       6.91829927      -0.42111962       0.30741888       0.08664366
Li       9.92494516       6.62392963       1.04761221       0.75088730      -0.17185571      -0.73131364
Li       3.54397420      10.60771394       9.78109581      -0.46178784      -0.32386843      -0.03247231
Li       9.57653626       1.05926159       8.82511346      -0.54314546       0.38350499      -0.52760400
Li      11.77635290       3.14377717       5.48470878      -1.42427176       0.33734684       0.06813580
Li       6.77648891       0.86642803       3.93853746       0.08734014       0.15410194       0.13156943
Li       7.32000491       4.48925477       6.10960780      -0.06764659       0.23526531       0.12220252
Li       1.08390751      11.41666470       6.35218931      -0.21305086       0.15106716      -0.11112629
Li       1.89115046       8.83045256      10.15587022      -0.33163881      -0.78602562       0.56492263
66
Lattice="12.99 0.0 0.0 0.0 12.99 0.0 0.0 0.0 12.99" Properties=species:S:1:pos:R:3:forces:R:3 energy=-568.98112223 stress="-0.006024797231893299 -0.0021664736926861545 -0.0017635324616016269 -0.0021664736926861545 -0.005105363218891379 0.00027336501126904974 -0.0017635324616016269 0.00027336501126904974 -0.007891470881460512" free_energy=-568.98112223 pbc="T T T" config_type=melt 
Cl       7.36400502       0.54216103      12.75081513      -0.91562050      -0.41697847       0.80236877
Cl       8.18670069       0.93123881       3.76895757       0.79723251      -0.04804008      -0.35848676
Cl       6.73589955       4.12509141       7.01262552       0.47182518      -0.52564212      -0.25943188
Cl       7.42981236       2.79058974       9.87132183       0.00334209      -0.36754033       1.46444600
Cl       8.29203660       6.50526210       0.61732377       0.84697041       0.32921937      -0.13522040
Cl       5.14506621       5.99027355      12.32372991       0.03980671      -1.29189764       0.17736471
Cl       6.86996934       6.78022143       9.77628699       1.16161055      -0.89373716      -0.63112552
Cl       7.05871404       9.92346369       1.49494116      -0.93856567       0.97999693       0.38516188
Cl       5.16664260      12.90078468       3.37233390      -1.92893831      -0.19041133       0.25112216
Cl       5.16353799       3.99736074       3.33674130       0.13579791      -0.04234905      -0.28155209
Cl       8.38781187      10.92730491      10.31754132      -0.68792116      -0.30704238       0.19555379
Cl      11.37742140       3.58865637       5.48565102       0.06078035       0.44877825      -0.34253882
Cl      11.44002021       0.93602433       7.54509861       0.21952888      -0.82912481       0.56437491
Cl      11.45599791       3.14430744      10.31130612      -0.10407225       0.92285396       0.08703415
Cl       9.97798272       0.49760014      11.34330966       1.75702707       0.13358305       0.76974608
Cl      11.99383587       5.96016273       2.17227873       0.07913375      -0.81945901       2.27484231
Cl       8.85563373       8.09830374       6.83406498      -0.67590842      -0.87107724      -1.23995062
Cl      10.96011765       8.63125746      11.46206424      -0.42492096      -0.26978187       0.69339141
Cl      10.25105850      10.16228484       1.34184102       1.12269729      -0.02368798       0.09212015
Cl      10.21207551       3.13908546       1.45730913      -0.57099890      -0.48379315       0.17921404
Cl       3.69648636       8.79333369      10.87764414      -0.01052580       1.53546402       0.10002069
Cl      12.76199952      12.45761784      11.68546626       1.13561602      -0.23180232       0.54040772
Cl       2.27024931       6.53371020       9.62079669      -0.51069825      -1.46073858      -3.14543427
Cl       0.35187832       6.51049707      12.17437089      -0.48956949      -0.26051749       0.42823177
Cl       4.26576012      11.87231442       8.26878450      -0.27583473      -0.08674909       0.16901496
Cl       3.30709812       3.64208424       6.49406472      -0.38386378      -0.99355358       0.61635293
Cl       0.08732307       9.59086773       8.66887650       0.81579541       0.35315632      -0.05008572
Cl       2.76612957       2.95936881      12.07914120       0.29722943      -0.54779967       0.05448440
Cl       2.14727298       5.96622906       4.10373585      -1.93749640       0.50704893      -2.30505831
Cl       4.02601668       7.56034887       6.97461678       0.50165792      -0.24225841      -0.13596493
Cl       0.59631504       9.07660662       5.08876755      -0.33618254       0.67233953      -0.47359316
Cl       3.54050244       8.29988256       1.17029768      -0.40565032       1.03566349      -0.20279734
Cl       0.59322732      12.80565891       2.84733006      -0.16287297       1.03394177       0.37710504
K       12.54801525       3.46903146       0.16100585       1.51890374       0.16729113      -0.95749978
K        0.82863600       7.18873095       7.20743655      -0.03391621      -0.36003192      -0.70830167
K        9.42521925       3.39231252       8.10742272       0.57270620      -0.19176391      -1.13731255
K        9.97672269       8.29320570       3.58352532       0.33599449       0.15998244       0.80480055
K       10.10075121       6.22076811      10.26129462       0.37152348      -0.19885114      -0.17771122
K        0.47584059       2.93733777       7.71629382       0.18718008       0.36316610       0.01217510
K       10.60200933      12.77395032       2.05597926       0.31916120       1.39206035       0.70957660
K       10.22774145       9.18003300       8.77545945       0.44113984       1.14429899       0.40463958
K        8.77343301       5.05487664       3.27005064      -0.27985878      -0.68057388       0.21717285
K        0.87029753       9.79970796      11.47776915      -0.32218477      -0.44254515      -0.04178311
K        4.25503038      12.73064166      12.18521754      -0.10928531      -0.01375591      -0.28666901
K        2.88648192       1.74224478       3.62110539       0.13866548       0.41630865       0.01395453
K        6.02919159       9.17751294       9.00216093      -0.25657939       1.38925575      -1.20974297
K        5.62585209       2.89891335       0.34192278      -0.21656169       0.78900364       0.32620225
K        1.19283013      10.35386136       1.85927169       0.26892724      -1.08002069       0.37111393
K        1.25638371      11.81553513       6.62288655      -0.10576351      -0.49183096      -0.08510507
K        6.12503181       1.48419843       5.75012742      -0.17220755       0.04274328      -0.01351493
K        4.48831779       3.93215094       9.44822454      -0.09493264       0.36636103       0.15189680
K        6.22208010       8.58685764      12.03103923      -0.05012895       0.30500332       0.74106062
Li       6.82455630      12.92450260       2.24134656       1.23433241      -0.09225223      -0.50495181
Li       2.75013888       8.87562534       8.88148383      -0.07498278      -0.28977483      -0.38154927
Li       8.26575783       0.23689993      10.39562421      -1.74967270      -0.20939773      -0.69235460
Li       9.17056329      11.68301115      12.91715208      -0.54813203      -0.13215105      -1.07363197
Li      12.07691991       3.63349785       3.31785384      -0.54358540       0.50304175       0.25878594
Li       8.65588650       8.91430956       0.80229617       0.38234494      -1.07806538      -0.76923147
Li       3.31917882       6.42698436       2.05988925      -0.00338211      -0.67835573       0.58928657
Li       9.54238905       2.64003564      11.55500769      -0.16320090      -0.16856570       0.06724085
Li       7.51652061       5.86656978      11.57510322      -1.26407040      -0.44475440       0.73920963
Li      11.88687621       0.20949233       9.83622285      -0.49425535       0.29396638      -0.26595705
Li       3.35386212       5.50665585       5.47285587       1.87376252      -0.11875231       1.50343050
Li       2.43255936       6.93097038      11.47500228       0.70271385       0.16525831       2.62495870
Li      11.36059935       6.74229063       0.49851723      -0.14707201       1.10701283      -2.03698631
Li       5.97391914       6.01439598       6.89020776      -0.40399403       1.31862509       0.14567974
66
Lattice="12.9852 0.0 0.0 0.0 12.9852 0.0 0.0 0.0 12.9852" Properties=species:S:1:pos:R:3:forces:R:3 energy=-570.40034468 stress="-0.0017537650490724226 0.000439934580775528 0.0018708611217303317 0.000439934580775528 -0.003300940596274116 0.0020942059673325127 0.0018708611217303317 0.0020942059673325127 -0.002963178028168616" free_energy=-570.40034468 pbc="T T T" config_type=melt 
Cl       9.86322030      12.45517011      12.25793790       0.27756325       0.77481678      -0.44172422
Cl      10.60398701       3.28358051      10.41945433       0.08913985      -0.47295529       0.20419792
Cl       1.49523279       9.00234050       7.62255912      -0.25663976      -0.06922242       1.42277368
Cl       0.92387620       0.05700503      12.53178279      -1.25018414      -0.38308556      -0.30986135
Cl      12.24851065      12.79200360       9.10207982       0.46848331      -0.42392576      -3.34063537
Cl       4.08115746       9.42356740      10.11051045      -0.74990771      -0.91550932       0.14520740
Cl       6.20480901       0.25066111       0.40203737       0.12455713       0.83185968      -0.05905775
Cl       7.74569777       5.82536848       9.87707551      -0.40328318       0.16680804      -0.03436393
Cl       9.05613818       3.15826034       2.96514445       0.17875345       0.25608653       0.05939423
Cl       6.47673209       3.79050973       7.10741026       0.48018141      -0.30109210       0.16318854
Cl       6.89077817       1.57570208      10.32937600       0.55318564       0.18041392       0.23631909
Cl       4.96228119      12.96350173       7.94565687       0.13139472      -0.79736181       0.72256071
Cl       8.30136045       7.51334060       5.56524896      -0.18917036       0.03754682       1.10339153
Cl       5.38193689       4.79312299       4.15591326       3.96983347      -1.35357024      -2.50874839
Cl       8.17083322      11.28638524       4.39529542      -0.04172855       0.28512628       0.51643107
Cl       7.09378879      10.42437572      10.30502875       0.55292227      -0.46813136      -0.17924156
Cl       3.29108595       9.23750247       0.51245443       0.01025183      -0.66559381       0.05871677
Cl       1.39911634       9.99190364       4.87034598       0.32146504       2.13528253      -1.53895245
Cl       8.98840738       7.21404473       0.50081969      -0.15626879      -0.18121514      -0.64063777
Cl       2.02223714       2.00486294       6.34372468       1.59029682       0.76322351      -0.69200451
Cl       0.13317361       0.37870167       4.16274348      -0.35506955      -0.05730269      -0.65847463
Cl      10.69637671       9.49772588      10.73973429       0.54224743      -0.46736999       0.69801342
Cl       2.80090764       2.68282023       0.16361352       1.07301047      -1.13217143      -0.01372076
Cl       2.25723030       5.38700112       2.68469010      -0.01851176      -0.66498469       0.87955074
Cl       4.17697525      11.89327453       2.40878057       0.95561599       0.74760433       0.69472289
Cl      11.83847699       9.83218568       1.72844699      -0.21073129       0.07504633      -0.21149376
Cl      11.88893748       4.01523160       5.93201593      -0.08024322       0.23749687      -0.18342831
Cl       1.25194209       5.93515835       9.31001183       0.49047320      -0.22187646       0.25504766
Cl       4.51882363       6.77448272       6.75275848      -0.35403541      -0.59474871       0.02483161
Cl      11.36702333       6.64363086       3.22997760      -0.19917380      -0.22902238       0.07477569
Cl       0.58622205       7.25345481       0.15270595      -0.29146653      -0.23326871      -0.71794710
Cl       4.20282879       5.84419702      12.00924535       1.35706284      -1.20984847       0.17608810
Cl       7.99619526      10.49996257       1.11951512      -0.19031077      -0.51858756      -0.58719673
K       11.89887115       0.83513665       1.44385036      -0.75556311      -0.21369484       0.46043928
K       11.16573975       6.34712680      10.46034473      -0.14426746      -0.15145520       0.03193810
K       10.62328302       9.36749731       4.81350976      -0.08440097       0.19574389      -1.07125293
K       10.10716027       9.85189721       8.13969471      -0.22641271       0.24925179      -0.33421861
K        5.91686220       9.04002355       7.62571452       0.09498074       0.96558727       0.15957248
K        9.76781804       2.38739395       6.80989336      -0.55188429      -0.00510538       0.08506374
K        2.60742816       1.48657167       3.06819500      -0.22688386       0.12863514       0.28341863
K        1.42509973      12.29830889       6.67391235       0.17399603      -0.81048498       0.18361303
K        0.20439354       2.44998261       8.23723953      -0.56425162       0.82624128       0.68062794
K        7.79835276       6.33475191       3.00821636       0.29573092      -0.25816758       0.07902733
K        0.76557623       4.23678509       0.07856046      -1.09126392       1.20723738      -0.12160967
K        4.34557509       4.39911307       9.00943042      -0.21944707      -0.19662817      -0.00683025
K        0.78027547       7.62661050       5.23415233      -0.55289451      -2.59359065      -0.00879411
K        5.43020288       1.44229213       5.74345784      -0.00618953       0.15200484      -0.49626630
K        5.19295029       3.07009084       1.50069956       0.62790689       0.04440955       0.16216413
K        3.52228744      12.43454961      12.08498802       1.16873146      -0.18779148      -0.12611308
K        0.83211239       9.70674864      11.07670023       0.05512992       0.02452231      -0.10987101
K        6.06534796       8.26311903      12.73523490       0.39007955       0.53736692      -0.33387817
K        1.60676268      11.25929811       2.20275739      -1.21334158      -0.67821672       0.08709909
Li       3.01020309       7.18859373       1.96645272      -0.20622378       1.03876580      -0.80947966
Li       3.81106530       5.21131136       4.90845754      -3.90180442       1.13984294       1.71652993
Li       2.92448779       7.35568729       8.30108776      -0.65391856       0.57960349       0.21369597
Li      11.09241232       7.59293988       0.91535012       0.98590815      -0.12068147       0.95903673
Li       6.74177300      11.95586320       2.38339450       0.01198870      -0.35108734       0.07287186
Li      11.86134393      12.80721706      10.92456563      -0.68162378       0.03742379       3.42503601
Li       8.92183226       1.47109331      11.46536025       0.15804698       0.30147054      -0.18091208
Li      10.80910123       4.39961949       3.85907159       0.09651918       0.22096981       0.19684919
Li       7.21242158      11.79047070      12.04025401       0.60387289      -0.29528901       1.23400011
Li       7.19156735      12.40119063       9.66357285      -0.81670312       1.08344765      -1.06257880
Li      10.28608334       9.88493156       0.11712650      -0.84600570       0.61144658      -0.06807973
Li       6.95811942       5.94779295       6.96778041       0.16797239       0.01437050      -0.17685281
Li       2.93801837       7.43288430      11.61476796      -0.69351122       1.10868073      -0.04145940
Li       6.57996443       4.68979976      11.41940563       0.18601407       0.26470289      -0.40050937
66
Lattice="12.9797 0.0 0.0 0.0 12.9797 0.0 0.0 0.0 12.9797" Properties=species:S:1:pos:R:3:forces:R:3 energy=-569.96842461 stress="-0.004301747753976464 -0.0004399193015611878 0.001160363299441799 -0.0004399193015611878 -0.001213088254295915 0.005001139091643398 0.001160363299441799 0.005001139091643398 -0.0028161785544886164" free_energy=-569.96842461 pbc="T T T" config_type=melt 
Cl       6.92346284       3.25528280       7.68419008       0.56567951       0.39150822      -0.45114092
Cl       7.73923698       1.35658633      10.10223031      -1.08409177      -0.53081793      -0.70306607
Cl       8.49834176       7.00905098       6.33113423       0.01754892       0.53928574       0.25909675
Cl       6.08720673       5.24551212       4.41762792      -0.37156224       1.14595188      -0.31379087
Cl       7.97353355       6.43010444       9.37797603      -0.07674225      -0.45615110       0.76068369
Cl       9.39225370      12.77615234      12.37549496       2.57252710      -0.17885246       2.20879662
Cl       5.27556013       5.59637937      12.74327476      -0.61148654       1.21280239      -0.87640467
Cl       7.83563721       9.26492284       1.75686729       0.01507220       0.98326778      -0.04116639
Cl      11.45649327       9.92252636       1.30077362       0.35612858       0.26441762       0.78482633
Cl       6.30512291      12.41195494       0.30651042      -0.08295103      -0.60731163      -0.56215149
Cl       7.60563693      11.07085340       5.10199558      -0.22917298       0.27824512       0.49518745
Cl       5.10656443      12.94113731       3.48405001      -0.25813173       0.61407993       0.18081290
Cl       9.41078871       6.74756194      12.97017290       0.19560106      -0.37541302       0.02209265
Cl       7.07806404      10.74327173       9.62447351      -1.61085054       0.28735424       0.90509947
Cl      11.73707544       0.21543187       4.62416090       0.43012890      -0.40350303      -0.91758786
Cl      11.61070508       3.33824904       6.49326366      -0.06978016       0.68533644       0.06386577
Cl       9.23286298       3.68361290       4.14517103      -0.07383592      -0.38562098      -0.34082920
Cl      10.96257674       2.96270738      10.82213639      -0.49914048       1.34332341       1.22943307
Cl       0.23487286      12.63615330      12.28930976       0.47118022      -0.13859215       0.06919608
Cl       0.44000404       9.06412688       7.48282301       0.14115810      -0.00828465       0.66624944
Cl      11.06715418       7.12185755       4.07511959       0.29767212       0.43265679      -0.55755857
Cl      10.67996973       9.57949885      10.75627739      -0.02295951       0.27352629       0.21208214
Cl       1.75850274       5.07799611       2.92480666       0.01763738       0.10440499       0.19609360
Cl      11.95095494      12.22533282       8.48614084      -0.23557864      -0.05502089       0.39502690
Cl       3.52742817       6.48056951       6.61667465      -0.28479133      -0.35267159       0.30726140
Cl       3.57738704       8.70253840       9.74897479       0.86247129      -0.28268574      -0.30433932
Cl       1.94155544       5.61967793      10.09707737      -1.33791075      -1.13605371       1.64202537
Cl       3.92922776       0.17869413       8.16815117       0.26286205       0.05099095       0.46141893
Cl       0.11917363       7.36595379       0.08240163       0.42480753      -0.48393227      -0.52652089
Cl       3.53193213       3.37572144       5.69187102      -0.65013688      -0.74534547       0.19140711
Cl       2.92470282      10.35610026       3.96226110       0.24525656       0.00006897      -0.65741008
Cl       3.53189319       1.60079938      12.93341815      -0.26281686       0.35360236       0.25510302
Cl       2.95996867       9.17743966       0.24649748       0.41850455       0.21078301       0.38608058
K        4.32866505       3.52736327       8.66189896      -0.32448906      -0.36896381       0.03916051
K        4.98667094       8.75946736       7.22539662       0.99146836       0.67815449      -0.17722167
K        9.20471001       1.04439339       5.73958440       0.29470482       0.22975682       0.34669647
K        6.53749848       9.07589947      12.31279003      -0.25202091      -0.39918182      -0.67022960
K       11.78821546       6.81458911      10.25005611      -0.20465731       0.08543138       0.03362293
K       12.43869312       2.07035301       8.84165482       0.90691606      -0.51384787      -0.67915098
K       10.60396061       1.78830413       2.07204037      -0.00986277       0.02340732       0.14062077
K        3.69589170      11.84398923      11.85987638       0.25743172       0.57853037       0.03491214
K        2.06261711      11.49708079       6.74826285      -0.59733201       0.27345798       0.00008765
K        9.90340726      10.15076141       3.79767850       0.61836139      -0.12844003       0.04278415
K        8.87302676      10.66377107       7.78360160       1.80298054      -0.51902096      -0.89678143
K        8.02767188       7.22329391       3.57538816       0.08084468      -0.93383578      -0.03822536
K        2.05647771       4.14139394      12.83754633      -0.01450376       0.39033642       0.27066811
K        0.75465014      11.34617880       2.05978753       0.06967467       0.06244873      -0.15502630
K        6.53974397       2.69023752       4.87427972      -0.63712907      -0.96280293      -0.05374751
K        5.83688023       3.46339931       1.16127689       0.06941147      -1.09948351       0.79697307
K        1.32298188       9.81396415      10.75761430      -2.00467676       0.71561440      -0.04480060
K        1.73825440       8.30011578       5.19147763      -1.10828938      -1.38700312       0.12185173
K        2.03606064       1.45175349       3.23145207       0.63722220       0.49179494       0.27566412
Li      11.46795434      11.92215298      11.05967788      -0.29446682      -0.33866652      -0.25791792
Li       9.52251797       5.02181997       6.39276184       0.66501790      -0.53676104      -0.56348104
Li       6.96153230       5.66628804       7.20012514      -0.01233514      -0.40204891       0.09055517
Li       9.49197673       1.49661133      11.20889251       0.22473523       0.42413051      -0.18841213
Li       8.05795352      12.19300038      11.09947364      -1.89888367      -0.31917455      -1.01626952
Li       6.09559161       0.05788946       8.71790636       0.25631763       0.10034384       0.37613876
Li       6.26780627      11.38783065       2.32171788       0.19833470       0.13679089       0.18400181
Li       8.85089637       5.15013728      11.33504221      -0.26762571       0.46688602      -0.42477181
Li       2.82796512       7.62992195      11.53685059       0.13983468      -0.97797480       0.58984522
Li       3.07612400       6.44967783       8.79813389       1.09312551       1.66759128      -1.55738979
Li       1.69860142       4.71156620       5.78224867       0.27193665      -0.19276973      -0.64790460
Li       2.95704823       8.30927945       2.44703688       0.09664626       0.02417127      -0.47419994
Li      11.45943966       7.36692727       1.77231314       0.21441335      -0.12340124       0.11780810
Li       9.97562631       8.99764486       0.21014134      -0.79540187      -0.17681953      -1.05573343
66
Lattice="12.9653 0.0 0.0 0.0 12.9653 0.0 0.0 0.0 12.9653" Properties=species:S:1:pos:R:3:forces:R:3 energy=-569.9983061 stress="-0.006968369788360352 0.0028254950491910214 -0.003217027488159438 0.0028254950491910214 -0.008732256667816183 0.0019032627554366572 -0.003217027488159438 0.0019032627554366572 -0.0045047560526730165" free_energy=-569.9983061 pbc="T T T" config_type=melt 
Cl       0.79063696       3.53598737       3.02966648       0.76245549       0.43701482       0.16146065
Cl       6.99107127       3.92836921       7.26667466       0.17011086      -0.35041699       0.04026740
Cl       7.66166252       0.86420337       9.39617332      -0.64419148      -0.15943553       0.40071030
Cl       5.14074145       5.79464636       0.74855937       0.71049019      -2.23286611      -0.65705095
Cl       5.05972129       7.43150252       3.73220422      -0.92961035       0.12180011      -0.28588935
Cl       7.68184949       5.92838342      10.52075751      -0.09355034      -0.09455657      -0.27464521
Cl       7.64286284       9.98868753       2.24079280      -0.40837289      -0.49982472      -0.00832903
Cl       8.65047409      11.39288138       6.15248864      -0.87623132       1.50288981      -1.80525569
Cl       7.09778866       9.68927986       8.30771045      -0.98371300       0.30141617       1.33797042
Cl       6.08210002      11.56161180      12.31123951      -0.51018147       0.44396181       0.16771770
Cl       9.97344034       3.00304872       3.31241374      -0.19288862       0.87696841       0.85325443
Cl      10.80897613       2.83426644      10.65750253      -0.19122305       1.58228713       0.48422443
Cl       9.35804237       6.20914700       0.62014067      -0.15697899       0.30666570       0.14150361
Cl      11.63738101       7.36130838       3.68602182      -0.72846377      -0.55167444       0.12306370
Cl       8.85458681       6.92335351       6.47866965       0.74604760      -0.60992002       0.05677259
Cl      12.05249102       8.10963957       8.21784796       0.55168209       0.12207217      -0.09245009
Cl      12.77017223       4.78136926       7.90235035      -1.71250861      -0.17802430       0.16360320
Cl      11.54645536      10.16320047       1.27538749      -0.34944106      -0.99358128      -0.32361630
Cl      10.87372484       0.05795489       9.01781994       0.25488975      -0.96489107      -0.17864217
Cl       8.88827066      10.22853261      11.75287590       1.14725019      -2.46128195      -1.61161796
Cl       5.95662185       2.04793396       3.91421110       0.05990171      -0.29331135      -0.41397514
Cl       2.45477211       9.02287640      10.39126010      -0.13242732      -0.35384273      -0.40855101
Cl       9.94201245      12.86580429      12.65465141      -0.79785260       1.60190331       0.39960644
Cl       2.74129227       6.30497353       6.02570097       0.00817140       0.19473605       1.36897004
Cl       2.41757466      12.83463571       8.30286143       1.16710254       1.10010003       0.82442683
Cl       0.30081441       6.57019171       0.24867575      -0.37827923       0.24512094      -0.19751683
Cl       0.07308980      12.95614650       3.82364848      -0.18473433      -0.29792997       0.22075073
Cl       2.24507135       5.26955171      10.09371943       0.32814200      -0.04272198       0.23613615
Cl       2.76862313      10.67831184       3.17139017      -0.05989395       0.06244295       0.51852055
Cl       3.13966408       2.69457830       6.28183047      -1.22677952      -0.95015534       0.94252179
Cl       0.13738810      12.03664742      11.70835306      -0.17893353       0.70478712      -0.98997151
Cl       3.94080293       1.97832327      12.31324913       0.03491609       0.15141501      -0.02868625
Cl       3.92696896       8.47793188       0.43935382      -0.67672192       3.54648615      -2.43910881
K        1.28662062       8.14108042       4.65806926      -0.24321473       0.57914674      -0.66665510
K       10.10974454       3.06542477       6.75967957       0.12294984      -0.62470181      -0.02210187
K        7.23455961       1.11737548       0.46186159      -0.58490401       0.31662145       0.83864547
K        9.85234444      11.34065715       3.35006497       0.65584214       0.77985046       0.57721301
K        9.82287431       9.95330523       7.86935366       0.89332936      -0.82740509       1.12405871
K        3.03218175       1.26333494       3.46243523      -0.33579086      -0.09440125       0.29171869
K        2.19528460       4.28290534       0.58246481       0.55114249      -0.31754278      -0.11732254
K        0.21748772       1.60199247      10.17948488       0.93607550      -0.17814053      -0.55596292
K       11.10440346       5.85213450      10.57987928       0.01304000      -0.11629396      -0.08163556
K       11.88573133       2.77675237       1.20694496      -0.59182599      -0.50546847      -0.28482169
K        6.38534542       8.22199686       6.17236444      -0.84483911       0.26072584       0.11637501
K        3.82292243      12.51843797      10.60990691       0.23334245      -0.31149933       0.47651558
K        5.26688085       3.40821434       9.73754967      -0.15868216       0.07040871      -0.00742982
K        0.65864372      11.64700126       7.02996717      -1.76440757      -0.65914537      -1.49480056
K        7.78081363       7.22014219       3.77498971       0.97560365      -0.15613778      -1.11147484
K        4.81746466       4.37219736       5.33413186       1.11772578       0.87533784      -0.97332819
K       12.48069598       9.36899805      10.70692625       0.13187375      -0.15266014       0.40948259
K        1.43728130      10.69237919       0.58234812       0.48701962      -0.63634420       0.99908339
K        6.09420961       8.82763195      11.26696239       0.05117721      -0.10358982      -0.43018901
Li      10.94251872      11.81509638      11.04828964       0.01037966       0.38461156      -0.16271846
Li       9.28692770       9.71084115       0.74212470       0.33637147      -0.12330610       0.78536713
Li       1.57868086       4.10288215       7.16815134       1.19308261      -0.18866223      -0.67346297
Li       8.07293480      11.98709405      11.34103315      -0.82051756       1.19312219      -0.62130185
Li       3.90879161       7.06955024       1.60951234      -0.38004918      -1.57125168       3.32571641
Li       7.01014323       6.05370601      12.79398949       1.12157919      -0.19683257      -0.32785413
Li      11.16572933       7.31555384       1.45287855       0.45318307       0.17262005       0.07693074
Li       9.24849855       1.46860546      10.90512680       0.22224838      -0.55935691      -0.41051592
Li       4.40251023       9.96853945       2.02779885       0.85340484      -0.19303889       0.10950687
Li       1.82744607       6.82235383      11.61968337       0.49306051       0.55644532      -0.48192587
Li       6.90281648      12.62225113       7.06122651       0.49604286      -0.13325458       0.18153923
Li       2.20268778       7.60687116       8.08203644      -0.26388513      -0.62541898       0.48636211
Li      10.61882704       5.22576789       4.39767418       0.41421066      -0.00505707      -0.63194279
Li       8.33122951       5.35286672       8.07589089      -0.30275129       0.82298603       0.53075451
66
Lattice="12.9499 0.0 0.0 0.0 12.9499 0.0 0.0 0.0 12.9499" Properties=species:S:1:pos:R:3:forces:R:3 energy=-567.45895339 stress="-0.0030226461908936628 -0.001611613224458805 0.0010998783262235455 -0.001611613224458805 -0.002695221322006199 0.0003776117764706307 0.0010998783262235455 0.0003776117764706307 -0.006054648728525499" free_energy=-567.45895339 pbc="T T T" config_type=melt 
Cl       2.66845639       4.10953422       3.10897314      -0.07275578      -0.81433836       0.61634329
Cl       5.80088181       3.75584655       7.68531240       0.32438616      -0.58945519       0.65008946
Cl       6.82433830       0.09398325      10.14693299       0.45923173       0.27683819      -0.36702725
Cl       7.93424833       6.89343897       5.99089569      -0.08178073      -0.21834565       0.07253577
Cl       4.98462371       6.58885732       3.54293724       0.21000634       2.14592834      -1.42650681
Cl       6.79024122       6.19546526       9.99437022       0.39383869      -0.34322345       1.34369888
Cl       7.53622020       9.98490385       1.96021341       0.59239898      -0.79644395       0.07159986
Cl       5.89243760       9.29199355       9.14147686      -0.10389292       0.28419948       0.14320891
Cl       5.27361368      10.86605389      12.78228944      -1.35942129       0.71224856      -0.20144899
Cl      11.95323685       3.77972616       3.74213260      -1.51719783      -1.01931816       0.31564229
Cl      12.20765058       3.51967922       8.40189512      -0.82495961       0.27231545       0.55915599
Cl       9.16433343       3.22650643      10.63959899       0.37867112      -0.72998886      -0.09754609
Cl       9.29833900       6.33533713       0.11882660       0.31395293       0.08710668       0.90885597
Cl      12.89842415       4.46438738       0.54126309       0.66705433       1.65613029      -0.49843734
Cl      12.52181516       6.83543637       3.99444845      -0.42190479      -0.01154087      -1.34070303
Cl      11.27360019      10.04804756       1.20548418      -0.38194676      -0.74763341      -0.03815584
Cl       8.90530953      12.09290152       5.00495505      -0.27498420       0.16481640       1.19556684
Cl      12.76356389       8.63681926       6.91663224      -0.07065769       0.50396453       0.96072425
Cl      10.72724391      11.94721514       9.66238659      -0.45466565       0.77678686      -0.44626365
Cl      10.04469353       8.89447047      11.18188900       0.02070310       0.21155427      -0.43247553
Cl       6.89354257       2.10881352       4.42863270      -1.69163621       0.65685274       0.87843690
Cl       8.57301510       0.32152789       0.51642129      -0.00916765       0.02109313      -0.88918772
Cl      12.92460885      12.57457305      12.39194061      -0.50890759      -0.27995325      -0.29712777
Cl       3.77009144       7.54084332       6.85167554       0.74260548      -1.68915440      -0.59623591
Cl       0.45568626       0.42698281       3.45789525      -0.11576560      -1.19184568      -0.25517698
Cl       1.74959624       2.66098430       6.68287359       0.79425356      -0.13930393      -1.63452892
Cl       2.33261369       9.81453496       9.38272055       0.08399007       0.55283154       1.23914047
Cl       2.64865600       6.23102568      10.86745248       0.10839566       0.11447274      -0.23870562
Cl       3.39378029      11.10131472       6.56177908      -1.13416789       1.11282190       0.22520956
Cl       3.85869465      10.59494774       3.32139035      -1.45895119       1.20504100       0.85090206
Cl       6.15122840       4.18441054       0.73471387       0.33108562      -0.46371802      -0.53550944
Cl       2.50846038       1.15826625      11.22555607       1.74570828       0.45998697       1.18546519
Cl       3.58363878       8.40202462       0.64893503      -0.15185837      -0.60010937      -0.08685840
K        9.49476308       4.22265159       6.93117498       0.31660977       0.10364108       0.13171924
K        1.65638286       8.44521254       4.74835278       0.90512167       0.29691933      -0.14280478
K       11.46085575       2.34297361      12.91314818      -0.42393510      -1.29091666      -0.18169509
K        5.21555928       0.86782201       0.77305205      -0.05949892      -0.19119175       0.05982180
K       12.00251122       6.34734169      10.77508084       0.12682836      -0.56370545      -0.18837386
K        1.28309293       1.41120240       8.95968616      -1.44133627       0.42739632      -0.00720391
K        3.71795514       0.91752502       5.64458946       0.82180745      -0.25717261      -0.37015546
K        3.23756565       4.73915835       0.47012799      -0.40590100       0.69594669      -0.37856069
K        9.67272061       7.65423264       3.41122381      -0.19772293       0.40729216       0.37397409
K        9.00226543       1.80418007       2.98603974       1.61959328      -0.50787101      -0.31323540
K        8.47941322       9.41786657       7.58555932       0.15881165       0.04710045       0.26499404
K        0.05567538      11.75106301       7.30744727      -0.10766786      -0.22911410      -0.72617355
K        3.75528970      12.27780019       9.11012515       0.98305684      -0.17135700       0.86532955
K        5.02722888       3.56522402      10.89974953       0.04036690       0.12765618      -0.92943052
K       12.62221573       9.86660651      10.09778812       0.08060759      -0.46067436       0.09945584
K        1.20926814      10.61939715       1.49103854       0.30507505       0.36468669       0.00607507
K        6.47823927       8.32818429      12.73754754       0.06389942      -0.88394586      -0.57250202
K        5.04001043       4.72629910       5.23353374      -0.71161268      -1.36217240       1.22591890
K        5.22493500       9.44567001       5.59174092       1.44580494      -0.32553452      -0.40835845
Li      12.12787920       6.22935515       1.77899251      -0.46597132       0.30806100       0.05704519
Li       8.32726485       4.73923605      11.85845653      -0.71899584       0.55206909      -0.04116346
Li       0.48103051       4.64993354       2.63486435       1.20639272      -0.29389322       0.87846308
Li       7.10053377      11.63529090      12.46438235       1.45782610       0.63712885      -0.31871735
Li       5.20280362       9.64078615       2.26268423       0.90672965      -0.86798826      -1.55037973
Li       6.17883759       5.09209493       2.68294733       0.24293867      -0.11621029      -0.20279819
Li       9.44611031       8.68400869       0.41630044       0.45475539       0.59010055       0.02864043
Li       7.86191019       0.53197024       7.39709943      -0.00824888      -0.30769692      -0.32018552
Li       1.59704642       1.92620698       4.17758594      -0.37489576       1.81337439       0.41049299
Li       2.34108292       8.30855224       7.99579921      -1.29335994      -0.23835465       0.07558451
Li       4.12499640       8.33047642      10.67835804      -0.40538253      -0.02388571      -0.21937446
Li      11.10958971      11.31281249      11.82090182      -0.26391507      -0.03342833       0.99554172
Li       9.27444643       0.86559981      10.85012551      -0.60973668      -0.13901048      -0.04112532
Li       6.13443238       5.98800786       7.98756307      -0.17970497       0.31213426      -0.39549911
66
Lattice="10.0049 0.0 0.0 0.0 10.0049 0.0 0.0 0.0 10.0049" Properties=species:S:1:pos:R:3:forces:R:3 energy=-532.69266901 stress="-0.22070371935862915 -0.000588783238847271 -0.007757290100634578 -0.000588783238847271 -0.22914110528381518 -0.00795820343679303 -0.007757290100634578 -0.00795820343679303 -0.23449238032346656" free_energy=-532.69266901 pbc="T T T" config_type=melt 
Cl       5.99610665       6.12536996       2.61899268      -1.14750585      -0.59848856       0.18373104
Cl       4.36708883       1.02412157       8.12698027      -1.16599994       1.14903791       2.23254791
Cl       4.11077329       5.84877450       0.48076346      -0.10971484      -0.01107758      -0.47613196
Cl       5.16308867       3.63389974       3.99979894       1.14841667      -1.57025889      -0.26398761
Cl       3.47830353       3.48760809       6.19000162       0.86820857      -0.01455338       0.77214618
Cl       5.88201077       3.80601403       8.89304546       0.11454239       2.87654399       1.98997165
Cl       5.57594087       9.30669805       3.42051523      -1.06687671      -2.26794315       0.07550242
Cl       6.15162282       7.91802793       5.70923616      -0.15135075       0.52839598      -0.15256812
Cl       3.76371332       8.31925444       7.21942579       0.15699303      -1.74128625       0.07695449
Cl       4.86228135       0.74031758       5.57732155       0.51886070       1.39790619      -0.72483978
Cl       5.34491773       8.63168746       9.92855261       1.16071890      -0.19443890      -1.02495057
Cl       7.87454664       2.08342038       4.82673394      -0.08224644       0.70663598      -0.35132559
Cl       8.64038171       2.49479185       8.27684367       0.16421909       0.19846408       0.21352740
Cl       7.76335218       3.83317734       1.32781031      -1.20233850      -1.39188899      -2.06670575
Cl       9.57745065       4.30937056       3.22445921      -0.06062789       0.92274894       2.26187341
Cl       7.44923834       4.96980401       6.19214266       0.92371754       0.28665108      -0.03614960
Cl       9.21561344       6.62032237       1.61093897       0.81983041       0.59020857       0.30227202
Cl       8.70272225       9.49359959       3.82073124      -0.67249362       0.22542490       1.37060764
Cl       7.51474042       9.78578269       7.62560472      -1.98581619      -0.91260146      -0.05036952
Cl       9.40271507       1.47822397       1.90890491      -0.33272013      -1.24295008      -1.09175221
Cl       4.30037615       1.03532706       1.11075400      -0.20774157      -0.33637157       0.15744448
Cl       8.21486331       6.70357314       9.09350363       0.33388295       0.61575793      -0.76527614
Cl       0.38984393       4.42127536       9.47363981      -0.58139272      -0.79213091       1.79828260
Cl       1.69651088       8.06370928       0.28811311       0.10521175       0.15318267      -0.07786681
Cl       3.05692716       6.99753711       4.45558217      -0.06912187      -0.80144643      -0.86833606
Cl       2.19438472       3.13710643       1.92566311       0.31089979      -0.86672273      -0.38315653
Cl       0.35216848       5.86281137       5.90228070       0.54489216      -0.43428619      -1.37935844
Cl       1.46637817       1.47439210       7.94781252       0.47042146      -1.05095005       2.28700764
Cl       2.39988537       6.01734706       7.91641714       0.71670292      -0.77726018      -0.03948279
Cl       0.55796927       8.47696168       7.80751381      -0.54216107      -0.43269322      -0.46516323
Cl       0.76234837       2.41770409       5.16513968       0.79368666      -0.66397651      -2.64316271
Cl       1.90282193       9.68530748       2.73152779      -0.60510246       2.23666401      -0.66048649
Cl       2.17290420       9.63702983       5.65744079      -2.99004116       0.58666116      -1.49486281
K        7.90615212       6.95173468       3.99705760       1.42891466      -1.29439814       0.45889346
K        7.27405254       8.25226163       1.74099267       0.14901011       1.77747835      -1.66222817
K        6.48690703       1.23205341       9.75163596       1.39119502       0.33718431      -0.26650191
K        8.60802587       7.44283520       6.41864359      -1.01977381       2.17982750       1.37453030
K        1.94971489       4.50718744       4.20710047       2.13454814       0.81647697      -0.24372775
K        9.57602996       0.68538667       6.49897294      -0.67381211      -1.60838247      -1.07053740
K        1.11842776       3.70922663       7.17065190      -0.52016029       2.92197723       1.25669685
K        1.63273965       5.55664142       1.54504670       0.62242877       1.91525460       0.59731488
K        1.75309860       0.94334501       0.47770596      -0.18448413      -0.02482776      -0.49897408
K        6.72686455       1.14983314       2.57553139       1.35929460       3.47493933      -1.16544051
K        3.46080496       1.38770964       3.54513627       0.64194708       2.08586240       1.21873493
K        3.79380806       8.20464831       1.99396657       0.45660508      -1.77130946      -0.62165709
K        5.87959959       6.65996178       8.04380954      -1.12299923      -0.99461451       0.64026413
K        0.65546302       7.94565146       3.59373007      -0.78796515      -4.00117372       1.22495963
K        5.03966823       5.59591065       5.56167389      -1.65923388       0.33810391       0.51747003
K        9.23733408       9.80431176       9.65747985      -0.02210397      -0.21884739       0.93720132
K        3.23183282       3.57828250       8.98258931      -0.23303728      -0.48651008       0.75774502
K        6.32433741       2.67544032       6.86912422      -0.90115704      -2.08572003      -2.56959293
K        5.00436094       3.53931341       1.49624280      -0.10979005       0.79818199      -0.95470887
Li       5.31427272       9.50523528       7.13060228       1.54214664       0.10040220       0.71011780
Li       6.80052062      10.00481996       5.27470334       0.77593447       0.07094131      -0.25352797
Li       2.56648696       1.58696723       6.13649541       1.07156977       0.06351750       0.30135120
Li       2.37273207       9.61240777       8.15281292       0.67799444      -0.20034895       0.06093861
Li       8.29945474       4.67433930       8.28914969      -0.21814693      -0.56808712       0.62278714
Li       1.77652007       7.47207953       6.33593309       0.84038067      -0.10723030       0.10291750
Li       7.43604188       4.23797559       3.34358756      -0.87267905      -0.35485450       0.85489973
Li      10.00323919       3.32622905       1.41568335      -0.13817732       0.78588540      -0.79084843
Li       9.24151613       3.95317611       5.66963676      -0.61000254      -0.55174052      -1.09250045
Li       0.37178208       0.99797777       3.73394874      -0.10273044      -0.56108626      -0.54665565
Li       3.87854956       8.92528125       4.72366346       0.85981283      -0.18217975       0.49146157
Li       0.50928243       6.41909382       9.09927646       0.16568848       1.54730105      -0.28396537
Li       7.22808002       5.78678414       0.81258797      -0.30277606      -0.25525989      -0.11015700
Li       3.67513994       7.43828297       9.04210846      -0.81639471      -0.31972158       1.29680333
66
Lattice="12.0674 0.0 0.0 0.0 12.0674 0.0 0.0 0.0 12.0674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-574.47455757 stress="-0.009188787639810255 -0.002573731420410451 0.000176607626354399 -0.002573731420410451 -0.015785858725969496 -0.0027447953196347128 0.000176607626354399 -0.0027447953196347128 -0.013992417408266804" free_energy=-574.47455757 pbc="T T T" config_type=melt 
Cl       6.19558417       0.15550896      11.75361140      -0.01707303       0.20238288      -0.57084207
Cl      11.24013146       6.67472029       3.40885949      -0.28213888      -0.30073382      -0.22421099
Cl       0.48155201       7.96431506      11.41273148       0.26577903       0.60496089       0.00359180
Cl       9.02086420       4.01615139       5.17667325       0.07935356       0.35961315      -0.52130950
Cl       3.48146903      11.10001688       9.63152291      -0.07579663      -1.34400791      -0.33619448
Cl       4.57297743       0.16359050       5.59542410       0.93935635      -0.85586031       0.06112204
Cl       5.01597169       3.71201671       4.46449151      -0.72822571       0.76267995      -0.33266288
Cl       6.59226374       5.89619198       7.35470621      -1.26696766      -0.12806144      -0.86317521
Cl       7.76304289       0.81949593       3.02360774      -0.17693842      -1.13890330      -1.67361278
Cl       7.12204674       2.87260837       8.50738426      -0.84210760      -0.92565326       0.93487677
Cl      10.67032090       1.06236321       5.56199740      -0.25439498       0.08973179      -0.64361014
Cl       7.48000202      11.27466836       7.97365522       0.12577571      -0.28639980       0.28038151
Cl       6.34217895       4.38919093       0.54575541       0.02302217      -0.71834662       0.28531254
Cl       4.43871554       8.83577441       4.57262748       0.41716305       0.37911166      -0.38275453
Cl       7.34327838       7.50060108       3.69209343       0.73315776      -0.34207611      -0.13475665
Cl      11.25017154       1.43871163       8.73238093       0.65631401       0.93364856       1.35686197
Cl       2.74736082      10.32859627       1.59684284      -0.07227424       0.01761048      -0.77030368
Cl       1.58630800       8.11328711       6.75910762       0.36304660       0.33740709       0.17563234
Cl       1.23444675       0.31526082      11.15730083      -0.50421221       0.77604677       0.22696818
Cl       3.71415264       1.47975286       1.36132339      -0.01392280       0.46995662       0.14931596
Cl       0.68676780       3.18313877       1.64475042       0.17277698      -0.22887768      -0.85390926
Cl       9.92246792      11.96862833      11.54928618      -0.50554813      -1.03997509       0.19971223
Cl      11.01214207       9.82047425       8.66339161       1.28766153       0.59957776       1.35696795
Cl       2.13154933       2.40860477       6.51820611      -0.43187792      -0.17718719       1.23895562
Cl       3.47467509       3.03204286      10.08973415      -0.05308183       0.04149993       0.16095271
Cl      10.00534682       9.93098750       5.64972740       0.09921044      -0.62955222      -0.88839837
Cl       3.19472348       6.11913719       1.53297009       0.09939034      -0.03539743       0.41405902
Cl       5.53438719       8.72200297       0.24711018       0.86559799      -0.63292903      -0.27087169
Cl       0.47500424       5.20098906       8.04926955      -0.47651170      -0.36594491      -0.01052036
Cl       3.30427133       6.53868449       9.98087414       0.24899153       0.85922255       0.11210075
Cl       9.95363801       5.50093636      11.00358629       0.01481961      -0.39206107       0.57446574
Cl       8.50611718       7.68081563       8.72119445       0.18576788       1.05531746       0.57085296
Cl      11.86233867      11.77990626       2.96674616       0.32079529       0.18591882      -0.73584514
K        9.35252462       6.48838756       6.26888156       0.88274513       1.67022976      -0.89594052
K       10.80296576       2.39237412      11.96278771      -0.39458496       0.34464427      -0.46525872
K        8.84723844       5.53461647       1.76363844       0.06900853      -0.46834680       0.60021945
K        5.15971855       8.82120906       7.89934417      -0.14957268       0.08385643      -0.08528974
K        9.91745995       8.66080918       1.19012560       0.54231653       0.12445684       0.03620226
K        7.28157777      10.41075113       5.12069258      -0.41339247       0.10646037      -0.05430198
K        9.19054391       4.49151041       8.22596042       1.01592997       0.00689913       0.32342500
K        7.89572395      10.07436028      10.80035920      -0.26939609      -0.08604373      -0.55028969
K        7.18719863       5.93409568      10.48637752      -0.91277925       0.10150009      -0.44775530
K        2.77819303       1.26973183       4.01664616      -0.15896195      -0.41120489      -0.67828743
K        0.93763939       3.51589733       4.20614054      -0.98555316       1.02958142       0.81399277
K        3.04248116       6.42901596       4.85131201      -0.12106471      -0.20042829      -0.45986251
K        3.46148542       4.90658071       7.83542316       0.39727824      -0.45430062      -0.57542428
K        0.74380919       4.90742542      11.05778098       0.74361661       0.22446159       0.31405992
K        0.74547570       9.04013583       3.20385850       0.32266723      -0.08321346       0.51679005
K        5.57496986      10.82944164       2.04416929      -0.12616577       1.37442400       0.89887204
K        7.17329699       2.01381978       5.19920309      -0.61099713      -0.11636861       2.00816096
K        0.92362069      11.52586336       7.16267767      -0.05757831      -0.79529469      -0.30045531
K        4.66184177       1.11165371       8.21292763       0.86554315       0.22206580      -0.01834982
Li       3.55716784      11.79309593      11.83691266       0.17479855       0.39439138      -0.00657720
Li       1.30767173      10.19001424      11.00890801      -0.20245720      -0.33157001      -0.03881892
Li      11.56393600       2.27354643       6.94243556       0.59271667       1.26805596      -0.72760191
Li       9.80493144       0.58958662       3.41588272       0.97863819      -0.15697182       0.50394685
Li       1.33379765       7.50402822       9.02116588      -0.36500164      -0.10754397      -0.25882846
Li       3.53423977       7.91384919      11.69798068      -0.46441564      -0.37673124       0.71515004
Li       6.48849617       2.23116572      10.94585584      -0.17948999       0.33886919      -0.04870027
Li      10.07555496      11.87505771       9.26736498      -0.49036646      -0.85664894       0.13431314
Li       5.68823447       8.29223458       2.55895251      -0.96393125      -0.90842743       0.11819494
Li       1.84833952       2.00463649       9.05264973      -0.50514742      -0.11550278       0.23789706
Li       9.23547084       9.59357093       7.67005151      -0.78747700      -0.00810996      -0.34597526
Li       4.34427607       3.97888726       1.75697724       0.03806573       0.01489777      -0.21592354
Li       6.60582750       5.24976549       5.13847993       0.22635666       0.01894063      -0.00923663
Li       1.29170656       0.69514982       1.32339556       0.11174378       0.02025344       0.07250063
66
Lattice="12.1881 0.0 0.0 0.0 12.1881 0.0 0.0 0.0 12.1881" Properties=species:S:1:pos:R:3:forces:R:3 energy=-566.77977042 stress="-0.01289209172187666 0.006455872533475931 0.0009821046566104031 0.006455872533475931 -0.01627912521715409 -6.632571504316387e-05 0.0009821046566104031 -6.632571504316387e-05 -0.018265839096682945" free_energy=-566.77977042 pbc="T T T" config_type=melt 
Cl       2.74073805       2.15672086       0.41296452       1.10105750       0.80855643       0.47781141
Cl       6.25460384       0.88155552       2.74371194      -0.49215642       0.14802056       0.43615944
Cl       7.21536739       6.11773148       0.34837490      -0.82998136      -0.90939168      -0.33597790
Cl       9.31102587      12.09594578      11.99939165      -0.54865400      -0.28003259      -0.03848809
Cl       6.57769818       4.00398586       8.88000590      -0.70793048      -0.25439118       0.94930216
Cl       7.48449282       8.63440349       2.09690166      -1.20792393       0.01260161      -0.43327758
Cl       6.97303140      11.62992158       5.75840191       0.04988458       0.21924303       0.56792942
Cl       6.40396901      10.61733424      11.00392858      -1.09835462      -0.34255086       0.69043633
Cl       8.95107471       3.01202078       1.72795569      -0.99658141       1.45119471      -0.26986618
Cl       9.67761954       1.71290339       4.70973779      -0.57798829       0.46516843      -0.20370812
Cl       9.17498229       2.81546329       7.79936020       0.96568152      -0.30343233       0.14533668
Cl      12.00521756       1.93989456      11.29708895      -0.84857026       0.21402236      -0.96763500
Cl      10.21097079       7.31983159       3.08457654       0.84950499       0.07907363       0.75557812
Cl      11.79864145       4.81783405       4.98300718      -0.13600176      -0.33218146       0.56493062
Cl      10.72669806       5.81215144       8.28081453       1.01180254       0.76582992       0.44389628
Cl      10.15335765       7.78620924      12.15067034      -0.14384365      -0.03756330      -1.84655551
Cl      11.75367955      11.03488635       1.80321721       0.33493926      -0.31806045      -0.12400556
Cl      10.68663577      10.62769412       5.02796908      -0.70705773       0.26149922      -0.95894525
Cl       9.05130964       9.34394592       9.19821281       0.55666909      -0.08980871      -0.12018043
Cl       0.00341267      11.41538665       9.00761530      -1.05442667      -0.08331191       1.06995353
Cl       2.10182566       8.91772807      12.01326171      -0.21432915       0.25970099       0.00229649
Cl       1.99829994      11.53675575       6.90202353       1.00224897       0.53622859      -1.09712003
Cl       6.42646824       4.75691793       5.38919999       0.78986086      -1.14228715      -0.53096750
Cl       3.14312817       5.69409750       6.47104012      -0.20904358      -0.81865340      -0.10684790
Cl       0.25249355       5.35871755       0.12499262      -1.07035571       1.81346256       0.10745333
Cl       3.93325832       9.17425101       2.74171310      -0.64375706       0.26586914       0.26998487
Cl       3.61441762       0.57822175      10.00257866       1.51327397       0.43499867      -1.55617857
Cl       2.52081597       8.60704121       5.40560517      -0.12487382      -0.01108537       0.36869546
Cl       1.43400309       3.37709094       8.29690282      -0.95328621      -0.72790227      -1.66111412
Cl       3.27032318       5.42302197       2.57243257      -0.01877224       1.62749354       0.17825632
Cl       1.53178822       8.09739581       8.53761779      -1.68893102      -1.56287068       0.25921926
Cl       3.89666964       6.60133091       9.97542357      -0.23163387       0.31252953      -0.20367678
Cl       2.80065475       0.65308959       2.89168767      -0.58430546      -0.60434998       1.34899109
K       11.23234576       1.64681951       1.86101318       0.06700704      -0.47293558      -0.11739301
K        7.62672795      12.09018080       8.83445897       0.29842052       0.02631632      -0.32317903
K        1.02556402       7.21825597       2.89711137      -0.05439986       0.60892646       0.26695839
K        1.75286817       3.96023058      10.84109556       0.97571249      -0.75304638      -0.95839555
K        8.16366251       6.42669981       8.82406252      -1.28766640       0.59943955      -0.07805164
K        0.96415428       4.13895688       2.39095177      -0.56712526      -1.29583946       0.65229515
K        8.32645896      11.03464259       2.90040216       0.93954414       0.99270188       0.75136281
K        9.45023834       4.82359902      11.13034355       0.26753449      -0.41625126       0.36824427
K        4.33149229      10.83830449       5.16097782      -0.25437840       0.42048434      -0.38845409
K        0.09075503       0.70370799       5.01720699       0.45077953      -0.04277225       0.09528962
K       11.76098022       9.25728853       6.93847813      -0.14307441      -0.38643201       0.20142888
K        4.38864230       4.69499019      11.85986228       0.77344242       0.46871622      -0.56980988
K        5.16492676       7.06449090       4.61854643      -0.27157770       0.32341433      -0.49107373
K        4.10792598      11.21057782       0.76507385       0.64374701       1.04128596      -0.30950393
K        6.46198436       1.60628189       0.06405066       0.74637062      -0.17481173      -0.88192255
K        4.99372052       3.62079200       2.18984812       1.70715430      -1.61451850       0.85081645
K        1.74837076      11.85624241      11.43789807      -2.39089461      -0.23347550       0.83881054
K        3.29700293       9.88760831       9.09710034       1.20774085       1.15111526       0.70813045
K        3.88886926       2.75394995       6.32485605       0.21982674       0.42916698       0.41340398
Li       1.32789350       0.84223306       8.33182172       0.53674675       0.51712851       0.51526816
Li      11.46146985       9.54709718      10.14249805      -0.82596261      -0.02437961       0.12271749
Li      10.88312013       9.03990158       1.36972305       0.03570262       0.20439597       1.12566805
Li       1.64863553      11.02090660       2.27596923       0.20829204      -0.40285996       0.67988372
Li       9.28768565       4.02638759       4.67665929       0.15251885      -0.15868164      -0.01310671
Li       8.71681943       6.19396804       2.05429207      -0.34893676       0.11854953      -0.46331467
Li      10.52246207       1.91771222       9.22152865       0.50227927      -0.63761559       0.90939310
Li       3.53493902       7.61354043       7.31415194      -0.67439155      -0.48210993       0.19709472
Li       5.19508012       8.93331665       1.16238397       1.60791198      -1.19181403      -0.79297050
Li       0.59554469       5.97711737       7.35562804       0.96156902       0.04862070      -0.47827880
Li       1.18818618       6.81897381      10.56298750       0.46553846       0.64272030       0.31260975
Li       7.25438150       1.56929100       4.92277359       0.48546001      -0.21097064      -0.23473905
Li      11.20939557       3.95311273       7.44948860       0.03594521      -0.86052500      -0.77059641
Li       8.17060973       9.59686119      12.04574299       0.44299856      -0.09156290      -0.32027228
66
Lattice="12.2183 0.0 0.0 0.0 12.2183 0.0 0.0 0.0 12.2183" Properties=species:S:1:pos:R:3:forces:R:3 energy=-569.77298688 stress="-0.016315616312605728 0.00014668611247282534 -0.0002106910846267668 0.00014668611247282534 -0.011515710690365357 0.0015051478961139015 -0.0002106910846267668 0.0015051478961139015 -0.014120731070650261" free_energy=-569.77298688 pbc="T T T" config_type=melt 
Cl       5.62650271       7.62401149       1.90031220      -0.93349617       0.28301118      -0.64996122
Cl       9.51710267       6.03157601       5.15835855       0.45434469       2.10501931      -0.68426042
Cl       9.33970517       7.68102208       1.48726035       0.23298614      -0.27803004      -0.30298862
Cl       4.58389074       0.51921299       0.94442083      -1.18278906      -1.32521505       0.45285589
Cl       7.56675654       3.54159644       1.53839393       0.92214817       1.30678489      -0.63982532
Cl       9.76862860       0.38468829      11.90481508      -1.20852559      -0.46303783       0.01942526
Cl      11.51259543       3.20413921      10.32192209       0.59614661       1.75229034       0.04695925
Cl       6.09254533       0.17136777       5.18475008       0.04753644      -0.10981968      -0.55700520
Cl       5.16966048       0.47274802       8.48914044      -0.15120384      -0.18761255       0.44733053
Cl       9.44569893       1.56608060       8.17752492      -0.08855591      -0.63166535      -0.65010428
Cl       9.45086727       2.33491713       4.77337213       0.03289965      -0.79733191      -1.10877898
Cl      11.04270405       9.25227102      11.09264024      -0.83248574       0.48717388      -0.45482702
Cl      11.56534183       1.20358319       2.74622176       0.90607468       0.07341615      -0.86297682
Cl       6.16790780      10.23569755      11.27229812      -0.05221483      -0.03244318       0.44125799
Cl       5.62248289       8.47395309       5.22970120      -0.04952188       0.64481804       0.54437199
Cl       4.25509628       6.96831642       8.45100712      -0.44273795       0.27650890       0.34346902
Cl      11.65920281       5.37410929       7.34598407       0.10298197       1.49444303       0.37556136
Cl       7.05422329       4.65201998      10.16685965       0.85280029       1.25343665       2.44874840
Cl       8.24476222       4.36357035       7.39066640      -0.35904323       0.11594209      -0.28151857
Cl       2.82595839      10.87889330       3.98752773      -0.53583387      -0.44346029      -0.84797806
Cl       2.43343328       8.72597997       0.37097813       0.19990345       0.44892264       0.42284293
Cl       0.44258348       6.00242315      11.78941323       0.10760196       0.39004033       0.00991095
Cl       8.58417438       9.11493733       9.08105598      -0.23006121       0.28184288      -0.03421620
Cl       0.45141853       2.90363012       6.45790916       1.50728514      -2.02934895      -1.29247044
Cl       3.35596381       4.25486414       6.65207016      -0.55005938      -0.62448743      -0.06172594
Cl       1.35860165       8.06741360       8.35824579      -0.68676993       1.47089251       0.20618202
Cl       1.32304640       7.39854720       4.90176203       0.94061983       2.30701535      -0.48003463
Cl       0.13884387       4.86590132       3.34136294       0.43714984      -0.23779493      -0.28711038
Cl       1.29478547      11.81306786       7.34784125       0.25030623      -0.59964881       1.59422351
Cl       3.99868304       4.08853642       1.54915826      -0.36456478      -0.57186553       1.28167829
Cl      10.36318329       9.62999976       4.74121357      -0.11371662       0.76921001       0.13690144
Cl       0.32022332       0.03472661      10.43601658       0.67379858      -0.28084584      -0.00110656
Cl       2.68473928       2.51090952      10.19971466       1.14379094       0.97244455       0.75180484
K        7.63388388      11.54778413       7.58086867       0.19249534      -0.46545876       0.27647809
K       12.00838961      10.77927750       1.26635349      -0.17346031       0.72964192      -0.03360492
K       10.04769457       5.96466860       9.65152841      -0.19820703      -0.36459462       0.37294790
K       10.54406301       8.13735115       7.36724391       0.55122503      -0.14541968      -0.98245473
K       10.52513686       4.19281961       1.03407138      -0.23042329      -0.38163576       0.41906483
K       12.05747052      12.18638580       5.23502838      -1.18527312       0.22759811      -1.00042383
K        6.93858930      10.36080072       2.61610909       0.10645024      -0.20268738       0.21138725
K        1.10922248       3.15882154       0.71624652       0.54041905      -0.48817872      -0.11879175
K        6.93522926       6.98459119       8.23421783       0.40374130      -0.30045851      -0.50800194
K        4.43514515       5.96245709       4.98333140       0.51617221       0.44994327      -0.81449089
K        7.62337614       6.37161130       3.31930891      -0.46177596      -0.44842553       0.40002085
K        2.22577106       2.51274227       4.44363687       0.19331099      -0.30547737      -0.85981473
K        6.55351735       1.20058115      11.50125685       0.89941613       0.42762051      -0.94320253
K        5.31992113       3.44630592       8.63518578      -0.60036905      -0.64660730      -0.78301024
K        5.79011797       2.01226848       2.84577647      -0.21373191       0.23275168       0.81561681
K        3.31156250       9.84056995       9.73389197       0.79632833       0.34437202       0.36879345
K        1.80653675       5.26034470       9.18974998      -0.06186370      -0.36441303      -0.27091168
K        3.87018318       5.94602348      11.87842355       0.29539270       0.67174895      -0.66497659
K        3.74248973      11.11440103       6.52745572       1.76920944       0.58950295       0.05755606
Li       1.36075207       1.69967549       8.86743122      -0.73669632      -0.77510650      -0.55556702
Li       2.39498229       7.83399519       2.82305043       0.11439728       0.25287704      -0.08933537
Li       1.19866410       5.44254399       5.29775713      -0.82027855      -1.87325110       0.80363285
Li       2.76691956       8.88219093       6.40323226      -0.60514260      -1.31517609      -0.38642911
Li       0.36041297      10.44509478       9.15294846      -0.43542062       0.15196808      -0.13261964
Li       9.94123652       4.09515874       5.65743945       0.23981918       0.22722127       0.88955358
Li       4.16267706      10.37921370       0.97301776       0.14454907       0.20145279      -0.20375599
Li       0.59311782       8.37808831      11.31792125       0.93901868      -1.50306652       0.12747763
Li      10.57424221       1.47959948       9.94716240      -0.47348856      -1.76657711       0.71093457
Li       7.83817385       1.38935511       5.54312503      -0.16032299       0.33850729       0.61654071
Li      11.35037306       3.29919758       7.78554963      -2.15226000      -0.08080431       1.97443331
Li       7.91343858       5.79184075       0.37761634      -0.71696897      -0.19907435      -0.19280374
Li      10.86983954       8.03073426       3.46496326      -0.33066974      -1.20537801      -0.04873370
Li       8.62517899      10.38831634      10.99951236       0.22761311       0.16597941       0.21785549
66
Lattice="11.5658 0.0 0.0 0.0 11.5658 0.0 0.0 0.0 11.5658" Properties=species:S:1:pos:R:3:forces:R:3 energy=-570.38581077 stress="-0.03220534113413522 -0.0014772990376168147 -0.0033176256481297923 -0.0014772990376168147 -0.04178489645328371 -0.0005957666511969116 -0.0033176256481297923 -0.0005957666511969116 -0.039273596533059583" free_energy=-570.38581077 pbc="T T T" config_type=melt 
Cl       6.21222250       2.93543474      10.01003798       1.45442556       0.01238043       0.17162384
Cl       8.17951881       4.62352108       0.23320238       0.00152283       1.12411197       0.61175866
Cl       3.29832328       9.38787890       6.55371431       0.40587687      -0.16361750       0.45379191
Cl      11.36757375       5.34112114       1.60950829      -0.70101704      -0.39304009      -0.82558280
Cl       2.07010471       8.15609807       9.79629043      -0.62518495      -0.83872460      -0.02283290
Cl       4.54754534       2.68838925       1.97342619       0.80122842       0.15726685       0.63449823
Cl      10.24877922       0.13932857      10.02272566       0.35207285      -0.21792032      -0.37341117
Cl       6.87131117      10.90774068       5.15407902       1.20637388       0.13137189       0.73204132
Cl       6.85538507       2.99273171       6.06692135      -1.53921508      -0.44015939       0.12452195
Cl       9.76032079       1.86894075       3.93170118       0.04425958      -0.53162553       0.24437186
Cl       5.28878589       0.57241226       7.69983882      -1.24341689       1.60043455       1.01407633
Cl       6.90202994      11.29135513       0.04695715      -0.00060756       0.49144106       0.86377572
Cl       7.63620379       4.60402114       3.85976191      -0.62574711       0.49660584      -1.85522959
Cl       6.37193463       9.09853728       8.63750136      -0.01516810       0.00459933      -0.05626997
Cl       6.77438977       5.78728344       7.28640774      -0.31702082       0.26624366       0.03672119
Cl       9.76818553       2.32434413       7.13527743      -0.28578970      -1.96077108       0.58351590
Cl       2.27911028      10.59939645       3.52939640      -0.02020179       0.01460532       1.09398610
Cl       7.03385693       7.74804508       1.58376282      -0.06613057       0.55830958      -0.49951584
Cl       9.74481105       7.13161107       3.92855529      -0.27778620       1.15456252       0.35949755
Cl       3.50759486      11.13555224       0.69581935      -0.67700269       0.68593373       0.61341298
Cl      11.32656143       6.62239203       6.90176393       1.08484491       0.07367953       0.43643802
Cl       3.19922750       5.40192255      10.54538416      -0.10932043      -0.08643183       1.12171479
Cl       0.10433358       4.09517220       9.04044227       1.95923972      -0.62531553      -0.04363495
Cl      10.11466221       6.99961059      10.05574602      -0.28686629      -0.04858435       0.06418152
Cl      11.40134589      11.47130741       1.43523482      -1.13408259      -1.13114708      -0.82544302
Cl       3.84080556       7.25122457       3.81429675      -1.08046543      -0.86268554       1.05077696
Cl       2.84297773       1.65113361       5.05711135       0.67459501       0.67409673      -0.01295222
Cl       0.86907272       4.20401794       4.61578356       0.31099131      -0.13310678       1.06038048
Cl       1.59396386       7.87865766       1.74312798       0.43192780       1.19899812       0.04878404
Cl       1.47584234       2.50008646       0.16099594      -0.48698556      -0.35669383      -0.75874702
Cl       3.59446559       3.60840238       8.21813702       0.06742690      -0.42023585      -1.69605699
Cl       1.05138095       1.05528441       7.63893332       2.09903601       0.19087514      -0.12804308
Cl      10.13137479      10.19243064       6.32217856       0.91697947       1.41456396      -0.39703344
K        8.82771251       7.94918591       7.09200977      -0.42219962      -0.60749829       0.27062589
K        7.94228112       2.34877110       1.52931104      -0.44470509      -0.55724681       0.56003302
K        9.16080755       4.12207425       9.34065574      -1.67828383       0.32148580      -0.22080213
K        9.47229767      10.66810887       3.34937472      -0.41814448      -1.14225822      -0.05930717
K        4.90950861       9.25390067      11.30955970       1.02720690      -1.88955012      -0.49564394
K        9.49856361       4.63381464       5.86908834       0.38711545       1.00182901      -0.78703974
K        1.00476384       1.68433902       2.89547490       0.47625078       1.18809219       0.67084117
K        6.10371216       5.80737323      10.09178505       0.25496532       0.45469125       0.09619921
K        2.22085335       4.26566366       2.08974344       0.19071535       1.21247368       0.41367186
K        3.50367406       6.73050913       7.57529829       0.04850583      -0.32017668       0.10205033
K        0.95824735       8.31689739       4.75339344      -0.33169666      -0.82213903      -0.21315215
K        2.71916584      10.63785273       9.52060802      -0.19902753       1.24237751      -0.98656246
K        6.11583312       8.35954049       4.28561466       1.52734107      -0.58278540       0.31095096
K        5.27977613      11.51697174       3.17778451      -1.21635308       0.66920851      -1.75210247
K        8.86305759       9.25378501      11.01059534       0.00500543      -0.12960636       0.40641935
K        4.71143272       6.11192388       1.54928517       0.27231944      -0.62894899      -0.68893773
K        7.74000685       0.52864380       9.00102602      -0.13012322      -0.04215295      -0.16417178
K        4.00035577       1.82104678      10.90895509       0.52014446       0.17022040      -0.30881066
K        4.80474560       4.41647012       4.64637510      -0.15553358       0.46346963      -0.20233305
Li       1.31136510       3.60867996       7.17753886      -0.17116008      -0.06163351      -0.99140953
Li      11.14663228       1.48737345      11.42600418       0.06649000       0.07179926       0.07796690
Li       5.32223419      10.46005169       6.68381799       0.23890320      -1.95204382       0.06590538
Li       1.95375276       3.03830096       9.59767095      -0.39796672       0.45393110       0.25207264
Li       0.33413943       6.22187994       9.16239206       0.22767951       0.87031786      -0.66209784
Li      11.46663483       0.51845549       5.48376215      -0.27966729       0.48668693       0.19068097
Li       7.99268488       1.34924310       5.78634661       1.30790977      -0.74744522      -0.43833182
Li       2.91157449      11.13056738       5.52672910      -0.47825806       0.42956552      -0.02475493
Li       1.17589489       6.73215147       0.05299901      -0.40513444      -0.33000287      -0.27626630
Li      10.79491630       0.29539053       7.81046570      -1.64194359      -0.46898238       0.68913496
Li       4.62023639       2.02237266       6.09496842       0.41899544      -0.05799683       0.67385420
Li       5.90995031       2.96214017       7.95125618      -0.46562100       0.38662108       0.27131563
Li       1.71355423      10.34845329       1.54051830      -0.42963911      -1.22942998      -0.52560879
Li       9.14397931       5.64535951       2.27723663      -0.02288289       0.10710686      -0.07950636
66
Lattice="11.8429 0.0 0.0 0.0 11.8429 0.0 0.0 0.0 11.8429" Properties=species:S:1:pos:R:3:forces:R:3 energy=-573.46575107 stress="-0.020677094678524473 -0.00018384270883501337 -0.00048597189591446076 -0.00018384270883501337 -0.022708150591932545 -0.0028912099514265986 -0.00048597189591446076 -0.0028912099514265986 -0.02360085913069891" free_energy=-573.46575107 pbc="T T T" config_type=melt 
Cl       0.74430613       1.39133942       4.56701306       0.49477162      -0.36615096      -1.39878385
Cl       3.85089658       8.22849429       9.63168846      -0.34461492      -0.59357881       0.72025141
Cl       9.48082175       1.72041808      11.22241494       0.78773235      -1.54662792       0.48314860
Cl       0.38868753       9.70358670       9.33118671      -0.14973354      -0.30743026       2.15916894
Cl       4.14778624       0.97378127       2.44541674       0.08777163       0.21971581      -0.90461300
Cl       9.46780640       3.13634336       5.29763709       0.72997707       0.01630863      -0.62360279
Cl       6.51655572       2.80573697       5.61872179      -1.09680691      -0.20892080       0.15435089
Cl       9.01933947       0.23609650       2.56649854      -0.11025299       0.44488351      -0.88581111
Cl       6.95627076       1.02123103       8.74222745       0.40983919       2.66322382       0.46309448
Cl       6.70828043       9.56601957       9.70659480       0.69037085      -0.14551652      -0.25075802
Cl       6.21608951       3.13943436      11.08283452      -0.76290189       0.19560701       0.23345054
Cl      11.42122170       8.46774456       6.11169435      -0.01810122       0.09272043      -0.25401707
Cl       5.90060650      11.15711319       6.52704853       0.74252275      -0.23564184      -1.02644196
Cl       5.34030705       4.47358442       3.00745708       0.27999494       0.44777960      -2.38640235
Cl       7.50934603       7.33063667       5.32955370      -0.63901559      -0.46101582      -0.09846776
Cl       5.17738428       5.37215261       7.40261782       0.11311287      -0.95604124      -0.29691325
Cl       3.02839533      10.53087248       7.06715583      -2.05630784      -1.03108213       2.96204915
Cl       8.18371629       5.28044119       1.97366666      -0.20799734       0.14140150      -0.72400823
Cl      11.41268297       5.93613520       1.13812874       0.18241637      -1.15108802      -0.44372393
Cl       1.55984020      10.09713811       1.34554293      -0.92766643       0.32201952       0.07031307
Cl       9.66553546      11.30790884       6.97185602      -0.44901836       0.15918424      -0.06783814
Cl       3.12463074       2.94415678       8.52509972       0.43516753      -0.03588528      -0.28102238
Cl       0.62090548       1.77841276       7.62848561      -0.94696851      -1.55050343       1.33036472
Cl      10.42858535       8.25084184       2.75124778      -0.46487722       0.70671962      -0.47866988
Cl       3.77222419       0.20390039      10.10772566      -0.34565342      -0.33565281       0.76556171
Cl       1.97295608       2.99543654      11.78940562      -1.27467081       0.63585994       0.39486303
Cl       3.88982419       8.49917561       4.52703143       0.02552693      -0.53512958      -0.68095261
Cl       0.76789127       4.91088350       5.46009799       0.53903505       0.14847225       0.00452967
Cl       3.06847170       6.39144733       0.76901161       0.42652440      -0.04629200       0.03442633
Cl       9.21564738       7.36326386      10.49265544       0.03523239      -0.90605430       1.38361023
Cl       8.68913573       4.52135868       8.08384511      -0.14818856      -0.53004484       0.79539088
Cl       0.32284456       5.40329944       8.94875578      -0.38257283       0.19475770      -1.05360168
Cl       7.32338882       9.42922224       1.46583126      -0.26936426      -0.10406963      -0.76966653
K        9.06007904       4.29481584      11.13322606       0.11311413       1.66457696       0.17665377
K        8.89103349       7.36432972       7.87464028       0.35462360       0.61029578      -0.88511837
K        9.69656386       6.05703936       4.19693427       1.37418844      -0.42036518       0.43766969
K       10.82859114      10.74496843       3.83102419       1.62996880      -0.16981918       1.33536867
K        5.05194428       8.01287061       7.16143716       0.94260935       1.71964697      -0.52897707
K        7.37542652      10.00201594       4.21655796       0.17518940       0.23634770       0.49466051
K        4.16650986       9.36100713       0.97650395      -0.05279753       0.37643236      -0.51599746
K       11.16082002       2.59649661       1.93717868      -0.18712326       0.03896259       0.46507418
K        9.93814718       9.70280507      11.71586121       0.32783991       0.96817734       0.19108943
K        2.60899087       3.89935773       3.07133769      -0.77602693      -0.56887744      -0.49209627
K        5.73401242       7.26246894       2.24175438      -0.03845096      -0.90531155       0.75540309
K        6.42958147       0.13734211      11.39354485       0.29286671      -0.31269824       0.40252940
K        0.58186418       0.50020383      11.17028249       0.29461351      -0.30509849      -0.24714605
K        1.42902353       7.23000755       3.29432765      -0.25083248       0.47355932      -0.30902474
K        6.86639499       1.80682388       2.78697781      -0.42237053       1.04779864       0.13671842
K        1.95265735       7.36033866       7.08769142      -0.01584903       0.03505004      -0.03083266
K        6.43622533       6.02246994      10.73929568      -0.24138588       0.63017381      -0.29475575
K        3.17335243       5.48520494       9.38888532       0.14361364       0.29126832       1.28876550
K        3.51678468      11.38966037       4.82619492       0.11638011       1.07741985      -2.37121960
Li       4.95419299       4.28577971       4.83816809      -0.09174821      -0.40803837       3.41429230
Li       2.76646591       0.73148027       8.21068257      -0.20369034       0.07711326      -0.37977646
Li       1.14779492       3.81119918       7.72260113       0.38499188       0.34303081      -0.05509078
Li       0.39647542       5.70670269      10.92808335       0.23321231       0.37301297       1.76663981
Li       0.54402138      10.22906802       7.44108356      -0.29296122       0.64424763      -2.08315084
Li       9.08692690       2.35645287       9.20578224      -0.50036144      -0.17340453      -1.28236920
Li       2.66422616       9.98454766       9.48399565       0.03209436       0.47594426      -0.11565399
Li      11.78559221       2.80924247       5.96141979      -1.16230698       0.20448815      -1.12194596
Li       8.10342142       1.17609708       6.37606340      -0.00514433       0.25159598      -0.03169366
Li       5.22627177       2.63139764       8.58096268       1.09135421       0.01930158      -0.10004013
Li       7.54177189      11.10110812       8.09860136       0.40098024      -2.08031745      -0.43045071
Li       7.62367739       4.82862272       5.29903455      -0.13298805      -0.49432193       0.65846156
Li       9.30416121       7.21458809       1.01364921       0.09749610      -0.48148601       0.36848205
Li       3.97253500       2.50358906      11.79493625       0.98361719      -0.58063335       0.05425222
66
Lattice="11.8486 0.0 0.0 0.0 11.8486 0.0 0.0 0.0 11.8486" Properties=species:S:1:pos:R:3:forces:R:3 energy=-572.82977261 stress="-0.027442025422918966 -0.002601151368641916 0.0027635282730496826 -0.002601151368641916 -0.02766415437261135 -0.003875565296227796 0.0027635282730496826 -0.003875565296227796 -0.014851171737931781" free_energy=-572.82977261 pbc="T T T" config_type=melt 
Cl       7.62381579       5.25729491       1.33092954       0.14917356       2.07897701       0.16256528
Cl       5.37620746       3.71794850       0.13223038      -0.27681275      -0.52909494      -1.12839334
Cl       6.50154009       1.20192198       9.03680873       1.87237749       0.04091304       0.39400087
Cl      11.59393804       8.33028856       5.97228683       0.12252941      -0.68137166      -0.51867372
Cl       4.81934696       4.53598769       4.54203048       0.15302244       1.06171390      -0.24274495
Cl       7.82807380       6.41644345       5.38575743      -0.48516228       1.54918701       0.14316008
Cl       7.96766216       4.62623848       8.32327419      -0.21572157      -0.45107365       0.06276805
Cl       4.75900204       6.34429732       7.99889507       0.11555341      -0.56073787      -0.53889922
Cl       6.44312650       9.03114510       0.94990582       0.24991926       0.46340272       0.31964947
Cl       6.93619414      11.03155609       4.91771404      -0.03618351       0.01366194       0.62483743
Cl       6.57577157       9.38526421       8.71927810       0.39343626       1.01392116      -0.62680757
Cl       9.33961156       0.32370257       2.86528770      -0.87882960      -0.03121493       0.32946536
Cl       9.13496254       3.38297673       4.80824482       0.52114066      -0.66802339      -0.06193017
Cl      10.17147806       1.87498171      11.19408334       0.19226838      -2.12097093      -0.18933937
Cl      10.97096235       4.98413729       1.54542475       0.82682404      -1.20633530      -0.50993624
Cl      10.40380541       7.83132032       2.26404234      -1.01757626       0.95129343       0.55800171
Cl       9.27411249       7.81239811      10.76288908      -0.70782027      -1.28838090       1.18159041
Cl       9.30264392       0.01564015       7.39837248      -0.73840429      -0.08709178      -0.38239547
Cl       5.83650187       2.23181414       5.89433489       1.04304002      -0.59827090       0.27947790
Cl       5.30865859       0.57313574       1.77506246      -0.53574485       0.63589394       1.04578522
Cl      11.37168200       9.65893133      10.01366656       0.20093345       2.14817936      -0.28997811
Cl       3.20779518       8.49082525      10.14109825       0.60048714      -0.13058999       0.76117666
Cl       3.13596896       5.83517483       1.73829626      -0.76842007      -0.84042663      -1.07329568
Cl       1.35121434       0.99206195       4.20137138      -0.48481893      -0.03881610       0.57518139
Cl       0.58251154       5.62844046       9.26690855      -0.44874980      -0.03074815       0.35321163
Cl       1.95242416       2.72117317      11.46946850      -0.13281216       3.19472541       1.68480095
Cl       2.32856981      10.46445840       6.87988959       0.42797279       0.20203486       0.19637004
Cl       3.83389890       0.51107988      10.70595656       0.67741166      -1.36187625      -0.74921051
Cl       3.54320534       8.64452529       3.82815233      -0.47018349       0.55849472       0.01847284
Cl       3.44964880       2.49089563       8.04010450       0.33747524       0.43400160       0.36128510
Cl       1.01551388       4.24857620       5.14501758      -0.23600011       0.03130550       0.49531427
Cl       0.16240521       1.82486213       7.92530342      -0.25315325       0.75133653       0.11953803
Cl       0.99237831      10.38842593       1.51267522      -1.39364432       1.23252236       0.02106929
K       11.43078282       1.86232740       2.13332858       0.41498679       0.48043742      -0.48509916
K       10.40240728       5.80031625       4.36190806       0.59111215       0.60464851       0.23165314
K        9.13343407       4.20367001      11.06397386      -0.67393421       1.79770341      -1.06080036
K        9.82923125      10.30734596       0.86240983       0.69156366      -0.93517437      -0.94835436
K       11.00475456      10.92548742       5.07990952       0.51726162      -0.07003600      -0.30875908
K        8.03414466       8.90104748       3.42019318      -0.09174970      -0.18844090       0.14554736
K        9.78453833       8.24624644       8.09027147      -0.78173558      -0.37801243      -0.27411819
K        1.09361512       0.56270660      10.68611016      -1.11959495      -2.65140973      -0.91470011
K        4.02143854      11.45430229       4.39404146      -0.29649683       0.54592175       0.23586886
K        5.21414231       8.85944704       6.21401012      -0.17580086      -0.47563244       0.60183222
K        2.40408094       3.22704915       2.79343778       0.85186350       0.49048964      -0.05278270
K        6.36910829       7.18105730      10.57902251      -0.19284180      -0.25556883      -0.25382179
K        7.38205696       2.94055000       2.38642653      -0.70893582      -1.55476453       0.68976453
K        3.18863599       5.32150247      10.32381551       0.50580492       0.27629010       0.13113052
K        7.48585069       0.21814457       0.21331982      -0.29190500      -0.30390496      -0.72405875
K        3.56200907      10.23138459       0.93177983       1.26181848      -0.61689918      -0.56298773
K        5.31003303       6.89203441       2.80841442       1.41698630      -0.48991298      -0.18221115
K        2.45660578       6.77824045       5.84414422      -0.04925605       0.03318863       0.44033176
K        1.20768040       7.70096202       2.08666879       0.44977287       0.02104333       0.13954799
Li       4.00224381       1.92140452       0.36858388       0.45155552       0.46882361       0.30781906
Li       7.94135827       1.73093828       5.47665989      -0.32783468      -0.93557554       0.26720412
Li       4.57305011       0.54146799       8.56115854      -1.41199602      -0.46155170      -0.10732272
Li       5.25099146       3.05186760       9.46774232       0.08791042       0.13895555       0.14921388
Li       1.22731353       8.53721251       9.55106167       0.08584777      -0.46770909      -0.56921931
Li       9.02967588       1.37850167       9.17989243      -0.55299068       0.48993831      -0.18284823
Li       0.53831626       4.76306611      11.60851182       0.20108926      -0.10250654      -0.35107267
Li      11.18907138       0.02928927       8.33644984       0.46340895      -1.91774711       0.45569916
Li      11.73449798       2.39532482       5.78576617      -0.30053264      -0.16122248      -0.78545261
Li       7.16829636       4.49206493       5.15780222       0.14975717      -1.36178237      -1.50285251
Li       6.20166388       4.82979742       6.69426942      -1.35840557       0.56316798       1.79756384
Li       6.80251823      11.31947707       7.21763393       0.51114907      -0.07080696       0.42700571
Li       1.60050889       3.18794877       7.20441090       0.79296800       0.97897066       0.03362677
Li       9.36345094       6.48691892       0.84389047       0.08562624       0.77253816      -0.16346509
66
Lattice="12.2258 0.0 0.0 0.0 12.2258 0.0 0.0 0.0 12.2258" Properties=species:S:1:pos:R:3:forces:R:3 energy=-566.32629173 stress="-0.0165391706419787 -0.002837696331962355 -0.002147370986029058 -0.002837696331962355 -0.025219405542083417 0.005837889111956764 -0.002147370986029058 0.005837889111956764 -0.019816207899817584" free_energy=-566.32629173 pbc="T T T" config_type=melt 
Cl       1.23431677       8.89444066       8.95917627       0.17930820      -0.27001640      -0.50676233
Cl      10.22541460       7.48712882       1.93912191      -0.48886075       0.01109670       0.08822920
Cl      11.31613935       3.69699634       9.95672820      -0.78181143      -0.76494886      -0.24549689
Cl       6.32973679       0.07806833       5.25093220      -1.98342826      -0.98729467       1.00818345
Cl       9.76415962       0.72226114       8.01961132       0.13268177       0.69341497       0.12886538
Cl       8.47655059       1.51663494       4.39447823       3.30381058       0.85435369       0.87168862
Cl       5.63001758       0.53415987       9.18194257       0.96523933      -1.77783341       0.36929403
Cl       5.66200027       7.64424258       1.00575788      -0.31568266       1.47343826       0.39360220
Cl       8.64394625       0.31548432       0.16599580       2.21267576       2.10758362       0.33098220
Cl       4.38047969       4.71640799       2.81397571       0.66000068      -0.03390504      -0.62949199
Cl      10.73768785       9.69614750      10.33049536       0.33729480      -0.19496693       0.60510264
Cl       8.31985251       3.78573120       1.96875725      -0.02533756       1.05374277       0.23351289
Cl      12.01768021       1.48863786       1.64570271      -1.77375125      -1.30152987       0.95751063
Cl       7.84561373       4.12142721       7.37647311       0.43066636      -1.82138519       0.11089442
Cl       7.06994785       5.07374368      11.44900935      -1.09829212       0.06060083      -0.08281022
Cl       8.02770480       8.56683812       9.31303983      -0.70621314       1.10361401      -0.56389453
Cl       6.73972899       8.86934109       6.13249796      -1.18537408      -0.75968189      -1.47443856
Cl       9.32239256       6.31444231       5.32345564      -0.39105068       0.55899907      -0.29350520
Cl       7.13706749      10.45005145      12.01184850      -3.05193920      -2.35420488       0.41543365
Cl       1.52268671      10.05229728       3.64397304       0.49949608       0.73809789       1.03646304
Cl       0.67821892       2.51333106       6.27229998       0.04663714       0.69316516       0.21075768
Cl       2.66474759       2.56091387      10.10444031       0.88749700      -1.40955111      -0.57836206
Cl       0.21222033       0.51821865      10.90126905       1.15975045      -0.88329270      -0.10656155
Cl      10.25670043       9.84031413       4.84863002      -0.69801852       0.99391945      -1.78155824
Cl       1.30677908       6.91922819       4.81679404      -0.09484960       0.03547628      -0.18193639
Cl       1.24244692      11.85526045       7.60350621       0.12745675      -0.69531426      -0.30514270
Cl      11.79487723       5.72695595       7.50705688      -0.33859754       0.13187034      -0.06910630
Cl       3.65528191       4.57705833       6.18004409      -0.50703922      -0.55045638       0.49855294
Cl       3.92755048       7.46841112       8.38384235       0.73447044      -0.34807528      -0.35059967
Cl       1.28698551       5.60054117      11.73527645       0.13833331       0.06677175      -0.20634748
Cl      11.72787984       4.59269512       3.40780727       0.61441876      -0.13026667      -0.57163146
Cl       1.70637936       8.48749268       0.75732351       0.27486998       0.26512189       0.34123607
Cl       3.60196520      11.90953078       0.68189399       0.69168088      -0.21412557       0.16829081
K        8.97357826       6.27792385      10.03395858       1.50172088      -0.64542143      -0.50179429
K       11.42905684       9.92481886       2.20734374       0.15457114       1.81945562      -1.37779364
K       10.57530477       5.38479248       0.05335645       0.47082891      -0.78235462       0.76145405
K       10.82403868       8.64908108       6.98725254       0.58347699      -1.09125592       2.53545615
K        8.33275073      10.70769796       7.03361277       0.22040431       1.07252125       0.93944956
K        4.63863968       9.96720571      10.10546728       0.14599387       0.54972947      -0.17392272
K       11.41323665       0.53820906       4.94000565      -0.12018976      -0.22242533      -0.23643654
K        1.40068545       2.78157734       0.03392024      -0.28671396       0.52728897       0.52908667
K        7.43593940       6.77679762       2.93101329       1.19258475      -0.34903552       0.38176984
K        7.00511443       6.57262676       7.66895092      -0.60942337       0.80789262       0.60447965
K        5.50515548       6.30485729       5.27006557      -0.58197597      -0.11515651      -0.48816737
K        1.81054317       2.53811276       2.88290477       1.16506385       0.40679464       1.29245649
K        6.68789160       2.31029720      11.92083964      -0.15505269      -0.78652166      -0.34988649
K        4.71025842       2.76026777       8.46082821       0.32307906       1.53864198      -1.53855424
K        6.37681834       1.93240995       3.01542022      -1.51017989       0.25628025      -0.80507745
K        7.34396471      10.26789926       3.50337634       0.35660689       0.31974777      -0.33100205
K        3.99266509      10.29501608       6.17250077      -0.45748647       0.28839377       0.12557416
K        4.07146037       6.59998810      11.19976196      -0.71460154      -0.24479867      -0.25700589
K        2.01085068       4.71134651       8.86837526      -0.75615875       1.50903657      -0.80893674
Li       5.10746243      10.08487903       0.86123670      -0.16335752       0.40498502      -0.14166351
Li       0.90152316       1.41530751       8.74857464       0.16218183       0.40911409       0.20408922
Li       1.24129770       8.04027292       3.00763238       0.98496646      -0.21771944      -1.00267910
Li       0.80895307       4.55489295       5.20459641       0.01133771       0.18446913       0.58622843
Li       1.14294236       7.03685261       6.91360432       0.74496931       0.43075530       0.93288487
Li       0.82075585       8.77708521      11.06952051      -0.60617274      -0.37357422       0.00347336
Li      11.05565646       7.80935201       4.02664058      -0.42878059      -1.01054228       0.55985397
Li       0.29110730      10.95673751       9.65967793       0.11282372      -0.01914457      -0.76336619
Li      10.67877172       1.34403110      10.44535675      -1.68423020       0.56326553      -0.01385535
Li      10.11967366       2.97022143       7.85956337       0.33835473       0.44199680       0.15427563
Li       7.65925586       1.94467243       6.53103459       0.08213345      -0.47198763      -0.18486305
Li       5.87636745       5.56284903       1.10625885      -0.15582233      -1.34242093       0.17666125
Li       9.74311902       4.47048603       4.10365090      -0.61448553      -0.61377281      -0.21293743
Li       9.19795837      10.40316551      11.77675859       0.33749122       0.41134521      -0.42020552
66
Lattice="11.4842 0.0 0.0 0.0 11.4842 0.0 0.0 0.0 11.4842" Properties=species:S:1:pos:R:3:forces:R:3 energy=-569.4469832 stress="-0.04170102118743887 0.005043965680865339 -0.001670095515851382 0.005043965680865339 -0.03536031067018801 0.002600272888715466 -0.001670095515851382 0.002600272888715466 -0.03534342210144426" free_energy=-569.4469832 pbc="T T T" config_type=melt 
Cl       1.67406332       2.38895477       1.77745557      -2.33191897       1.16488957       0.22086949
Cl       6.71941690       3.66799606       9.58124509       0.49229200      -0.48423198      -0.26622336
Cl       5.12526065       0.87307597       9.53448143      -1.03529498      -0.27098222      -1.26824484
Cl       5.71051845       6.16829015       7.62388953      -0.26437188       0.24002891      -0.50733273
Cl       3.97808094       5.86547476      10.90796878       0.82533165      -0.49126266       0.04186994
Cl       6.52072876      10.88479367       1.95175127      -0.46097011       0.11028082      -0.89653522
Cl       5.15858780      10.89457820       4.72721828      -0.71194480       0.83717172       0.28019817
Cl       3.86636265       8.91067117       6.89072672      -0.19743939       0.78776889       0.60261621
Cl       6.98398990       8.84201862       9.09277613      -0.74412072       3.04451418      -1.63456427
Cl       9.71468001       0.76502917       1.09754385       0.85701207      -0.49351681       0.38255110
Cl       8.89788925       3.77652175       1.42211145      -0.00448745       0.17235766       0.20938607
Cl      10.52627991       2.41523062       5.78493607       0.10782553      -0.50765812      -0.35301966
Cl       9.28617006       1.47531775       9.01189291       0.33226148      -0.31896312      -0.96256935
Cl       7.78807914       5.37983091       4.91756889       0.37495453       0.01024514       0.29212950
Cl      11.19907028       6.72774295       6.39981162      -2.44789073      -0.36474078      -0.03395246
Cl       9.59663392       6.58522403       9.41911116      -0.67737485       0.01949939       1.35958492
Cl      10.32067828       8.38455700       1.95382991       0.28647671      -0.67184415      -1.59470058
Cl      11.40054909       9.84837907       5.19233986      -0.46766349       0.84311215       0.71235884
Cl       8.03265814      10.45677753       6.39488490       0.26875367       0.73041584      -0.10707550
Cl      10.34490994       9.75371481      10.11731606       0.77365214       0.89403615      -0.63935701
Cl       6.05407978       2.71372794       6.10339293      -0.52159407      -0.39791989       2.57863973
Cl       4.36409936       3.28221881       2.71007597       1.74109894      -0.57315108       0.68691556
Cl       7.41615183       6.74825373       1.89225163      -0.20385137       0.01298657      -0.33450991
Cl       2.05461525      11.48321236      10.88852603      -1.88501958      -0.16005367      -1.47408479
Cl       3.13967692       4.07831504       7.19381772      -1.46260941       1.50031015       0.16594337
Cl       2.14581129       8.20426654       0.66399348      -0.18873219       0.78274749       0.04015449
Cl       1.86853676       4.82378892       4.33681290      -0.95226837      -1.00181002      -0.33598344
Cl       1.49561033      10.85704784       2.75019028       0.39624596       0.45042450       0.75054037
Cl       0.42810112       5.78093956       0.45456071      -1.31919644      -0.69416994       0.57459070
Cl       0.36445109       3.87938573       9.44812025      -1.74274202      -0.52798232      -1.41150149
Cl       1.94267876       6.96091815       8.96509479      -4.92089415       2.04870564       0.51998494
Cl       3.55168408       7.76853303       3.83706645       0.36755409      -0.27566213      -0.41090787
Cl       2.35477779       0.90666840       7.15711422      -0.41469645      -0.64340284       0.44872145
K        9.07642263       4.00926055       7.82831977      -0.46141237       0.96757240      -0.29996380
K        2.45759583       2.95010723      10.56553291       1.68417919      -0.18626394       0.29731866
K        8.75522104       9.96720609       3.28414816      -0.25338842       0.86731689       0.99564131
K       10.37148438       5.19140964       3.82833846       0.00623132      -0.42602763      -0.09168848
K        3.12849131       1.55114793       4.48618789      -0.13139858       0.28268961       0.07858205
K        0.74641328       7.55860185       3.61291784       0.60664570      -0.01904080      -0.13150144
K        3.71382950       9.41673393       9.94420323       0.63957489      -0.39257162       0.06244090
K        3.72963176       0.83334753       1.22166623       1.81882358      -0.96610080       0.66903950
K        8.52685772       7.44161231       6.96653392      -0.57030950       0.54908271      -0.15675997
K        2.92733406       5.37876288       1.84305332      -0.64194750       0.93116467       0.21765808
K        2.17669230       6.64285174       6.24939157       2.65954372       0.38541020      -0.05920015
K        8.10661639       8.77829280      11.45180307       0.15353941       0.63474623       1.47692167
K        7.03718472       1.94234571       3.93251164       0.87585873      -0.70352377      -2.05272706
K        0.99698245       9.55266092       7.90571180       0.07852578       0.08661722      -0.01885400
K        6.17792539       8.25493483       4.89826395       0.06314921      -0.21508721      -0.01687484
K        6.67712060       6.63349212      10.11728161      -0.27856036      -2.55722284       1.37905065
K        4.92004948       5.18562160       5.08774177      -0.25796232      -0.14226843      -0.40374119
K        5.94395778       4.23450016       0.73675737       0.96285185       0.29776438      -0.01431844
K        7.37651986       0.71782796      10.96340301       0.48847321      -0.04549297       0.75608612
Li       7.43684636       1.68575423       7.91553079      -1.52758223       0.15492888      -0.19825683
Li       3.99103512       2.46042094       7.80307750       1.65153600      -1.85666210       0.52999104
Li       0.81457086       2.50543901       7.31809973       0.39631814       0.76841352       0.13071836
Li       2.78328774       9.80069667       4.32652306       0.49736282       0.15327414       0.24574999
Li      11.26122277       5.84544632       8.47242261       1.51931344       0.04508506      -0.05376586
Li       3.60187004       6.27408260       8.89701646       4.25317599      -1.98739014      -0.99439785
Li       9.54477127       5.84131200       0.93040395      -0.27411739       0.61092093      -0.07085135
Li       0.63137835       9.81345562       1.02506706      -0.01559345       0.41811116      -0.24141712
Li      10.94900183       0.60537467       9.90570819       0.87308273      -0.75902156       1.51951846
Li       9.88681669       0.30873894       6.82213159      -0.22425280      -0.41004805      -0.23750292
Li      11.41421529       1.19602201       3.92665470       0.24600560      -0.41632896      -0.79638937
Li      10.93011032       3.68708280       0.56461954       0.60077834      -0.62334002      -0.12755843
Li       5.17054285      10.93355558       7.18427435      -0.00982064      -0.32553035      -0.27631322
Li      11.26319806       7.94542416      10.92997251       0.70299857      -0.89331986       0.24687314
66
Lattice="12.7172 0.0 0.0 0.0 12.7172 0.0 0.0 0.0 12.7172" Properties=species:S:1:pos:R:3:forces:R:3 energy=-569.03699154 stress="-0.0033023783466257905 0.004190399830355583 -0.00036862067660499475 0.004190399830355583 -0.011791137153510012 -0.0035396729401582843 -0.00036862067660499475 -0.0035396729401582843 -0.009368693104824515" free_energy=-569.03699154 pbc="T T T" config_type=melt 
Cl      12.67879406       9.54694193      10.57542004       0.28280134       0.06520761       0.18385428
Cl       5.33819731      10.81895442      11.53119393      -1.41984615       0.05932187      -0.76408493
Cl       6.92723688       0.28835361       5.52909520       0.77773009      -0.87946586      -0.47219632
Cl       7.99627015       3.57931953       5.91183205       0.60240950       0.83464119       1.21586740
Cl       7.70694113       0.52485665       9.83455412      -1.23120385       0.47239424       0.28537797
Cl       9.83677963       5.59963750       2.70517735       0.01594502      -1.03388283       1.07761370
Cl       4.60908208       4.15895678      11.78233319      -1.76309245      -0.32241189       0.32769422
Cl       6.02267516       8.04628689       2.19331005       0.47710883       0.61296319       0.00187753
Cl      10.67382574       7.37378864       0.59213572      -0.39910267       0.34019161      -2.34511765
Cl       6.86466826       6.56555971       7.00284063      -0.38339834       0.11690004      -0.89693181
Cl       5.35578519       7.52273249      11.74238847       0.04524262       0.19688610      -0.56226334
Cl       8.45660735       4.95247191      11.87844979      -0.33281871      -0.38388873       0.07307459
Cl       8.41952400       8.34042301      10.43499672       0.74490134      -0.29473062       0.11960350
Cl      10.59384727       0.95549665       6.28519632      -1.42558173      -0.14691401       1.98621875
Cl      10.96813990       1.92521876       3.55909918      -0.39371387       0.80610542      -1.98572758
Cl       8.43234294       9.85777573       6.32386933      -0.07900042      -1.08964069       1.10961121
Cl       6.08212807       1.30296616       0.31266762       0.03821285      -0.26675856       0.33333162
Cl       6.96976320       3.32769701       3.13496784      -0.10067234       0.07248740      -1.13343326
Cl      11.50932034       7.57108328       5.72865350       1.12761574      -1.70177383      -2.14250318
Cl      11.52147799       4.47700124       8.49585263       0.75518247       0.10107042      -0.30466999
Cl       1.99147537       0.36067124       0.20051336       0.15089581       1.19588994       1.39954411
Cl       9.47173241      10.94811031      12.09672781      -0.68696892      -0.12753277       0.50254828
Cl       2.77215884       4.03230619       3.83817813      -0.25407762       0.25927492       0.00863060
Cl       3.34075757       0.11814584       4.30128769      -0.15696741      -0.34162955       0.01555982
Cl       1.46600066       0.59005265       9.39114351       0.28214764      -0.46552849       0.06378386
Cl       3.41918454       7.98548596       4.92342583       0.59422212      -0.60998264      -0.68022398
Cl      11.77350746      10.30305577       6.80339679       0.27946595       1.33130444       0.37098511
Cl       3.38173239       5.69158286       7.95977178       0.97196013      -0.54709543       0.87909814
Cl       2.18360683       6.65165516      11.03432021      -0.31625627      -0.14499346       0.26416601
Cl       0.33201939       9.17778705       1.75903039       1.05960027      -0.23014681       0.45891519
Cl       3.84307425       9.56960398       8.06961024      -0.14145276      -0.74561554       0.14403353
Cl       9.80460512      10.88372312       3.63957362       0.47273638       0.32182277      -0.60828397
Cl      10.37058410       1.69044653       0.13038564       0.21215049       0.25757610       0.18309639
K        9.00574877       8.28900737       2.64806440      -0.57749161       0.64769725       0.86550738
K        9.94844937       7.89956856       7.75393118      -0.86497412       0.04118500       0.78837550
K        9.80432534      11.75834855       9.01546471       1.07918687      -0.75536953      -0.31176319
K        9.32539559       2.82653759       8.75160824      -0.56493209      -0.34016063       0.08880036
K       11.62750128      11.51993921       1.21577577      -0.09668048       0.83949493      -0.23395582
K       12.51614107       0.09566679       4.69318092       1.24538767      -1.33099052       0.14777018
K       11.08607921       3.74043373       5.61038354       0.02569612       1.01212292       0.43719350
K       11.29283545       6.23997396      10.61040506       0.01535437       0.20436398       0.41544751
K        0.54898499       3.17676928       1.79804676      -0.75476574      -0.34820138       0.21075572
K        3.90349367       2.77479130       1.44459762       0.37350487      -0.37140353       0.64254129
K        5.89624076       9.94485040       5.70065022      -1.10510897      -0.23310617      -0.18158013
K        1.61981520       3.08420078      10.70053186      -0.02337595       0.26898095      -0.36065603
K        8.03704149      12.52350433       2.12740952       0.39184537       0.69387626      -0.10536529
K        4.78122210      11.18885962       1.37816296      -0.69364041       0.40317378       1.62603420
K        3.16545097       7.73733524       1.05137289      -0.22245614      -0.23915986       0.21897551
K        1.52185461       5.97117050       6.10059345      -0.97446743       0.17614673      -0.55156127
K        1.79013666      10.05664731       5.61611900      -0.61811283       0.36238504       0.28224334
K        3.97214112      12.19239931       8.40262284       0.30667072       1.13550297       0.11388979
K        5.24265298       2.35231320       5.91925889      -0.66709279       0.76608964      -0.25202023
Li       8.69527105       4.02621465       1.43776848       0.09054111      -0.34215856      -0.48008742
Li       9.32241976      11.56564482       5.76920865       0.84488923       1.17109383      -0.36691158
Li       2.00374747      11.56374996      11.61810327      -0.73606390      -0.72993302      -1.61463542
Li      11.69641579       7.48536935       2.33845145       0.88213346       0.01645012       1.25729156
Li       6.66902685      12.35014346      11.83847963       1.48708838       1.08048777      -1.05777750
Li       6.51567014       3.74574952      11.44835409       2.10489747      -0.50718036       0.07395667
Li       8.07339997       5.20156371       4.07595162      -0.18042914      -0.45398278       0.62149640
Li       4.90997103       6.26971949       5.30136830       0.20813240       0.28126861       0.86645079
Li      10.72477084       8.98093751      11.64708577      -0.22549225       0.57937932       0.09016346
Li       7.30188559       8.25088121      12.65043470       0.21503952      -0.98598258       0.32299751
Li       8.60579283       1.96471838       4.69260865       0.15385160      -0.68481182      -0.12305479
Li       6.60883634       9.36673921      10.84026845      -0.13413609      -0.65812010      -1.37238316
Li       2.84429080       8.58469499       9.85275244      -0.31228516      -0.52730186      -0.21832698
Li       4.38662010       5.72060351      10.39464505      -0.47888912       1.11611808      -0.94886164
66
Lattice="12.0741 0.0 0.0 0.0 12.0741 0.0 0.0 0.0 12.0741" Properties=species:S:1:pos:R:3:forces:R:3 energy=-570.61079456 stress="-0.01648947651402404 -0.003243396216457886 -0.0016319006132385577 -0.003243396216457886 -0.026460114758653706 -0.0008631743791826525 -0.0016319006132385577 -0.0008631743791826525 -0.016077863723375087" free_energy=-570.61079456 pbc="T T T" config_type=melt 
Cl       8.52209297       8.97583764       2.12563323       0.33532409       0.17932025      -0.00771749
Cl      11.07164785       1.79889601      10.01098646      -0.01084147      -0.18826671      -0.70154875
Cl      10.93935193       9.58771681       5.60281707      -0.25970599       2.51558053      -1.05121695
Cl       6.20143887       3.77990567       1.19425889       0.63423869      -0.58325274      -0.69649094
Cl       9.42483720      11.86469888       0.27441290       0.39461701       0.39165671       0.64701998
Cl      10.25570432       5.08055187      10.87090386      -0.08534758      -0.01328108      -0.04867720
Cl       4.40115434       4.12604597       4.40830221      -0.25926197      -0.14052520      -0.22452884
Cl       1.23472161      11.77298402      11.59679875      -1.51306735      -0.75473285      -0.83643714
Cl      10.55137488       1.73833233       5.52078563       0.16722185       0.84465104       2.62290400
Cl       8.70340973       0.12009310       3.49810825       0.43952232       0.63499165      -0.12166143
Cl       6.28007748       2.67735923       8.90632705       0.64246478       0.54736134      -0.03692909
Cl       6.47284049       6.99161627       0.30469957       0.50205167       0.07043507       0.45654220
Cl       5.47759658      11.76072881      11.06216968       1.52870542       1.93421480      -0.72733080
Cl      10.87095216       9.59038519       9.68881325      -1.36567468       1.47598934      -0.38810301
Cl       5.65634155       6.82167331       6.41617674       1.09072066      -0.24173872       1.07108026
Cl      11.70576751       4.89223213       7.07328548       0.38123077      -0.55610374       0.33833768
Cl       5.24207918      12.06811125       4.80104853      -0.39865747      -0.45128532      -0.19197642
Cl       0.90768496       8.03402162       7.27258058       0.53608115      -0.54358989       0.07058909
Cl      11.26407278       7.11724728       2.54948244      -0.01855628      -0.30805494       0.57417291
Cl       3.42554291       1.05432369       1.30629688       1.22201255       1.35759172       0.31850879
Cl       1.20130654       3.35882143       2.77709130       0.00724572      -0.39235472      -0.82029447
Cl       8.54243782       7.62922534       7.80375646       0.39814745       0.15011522      -0.00522255
Cl       1.84831530       1.46480566       7.62404556       1.05799352       0.92951944      -0.62819444
Cl       3.17609201       3.23824947      10.04196860      -0.14530932      -0.40291574       0.82285356
Cl       8.21364801      11.45279096       7.93536415       0.21000235      -0.03429399       0.30737820
Cl       2.57105885      10.53823826       8.60338788       0.54092024       0.62386166      -0.42168434
Cl       3.27715222       6.41467955       1.61736192       0.30474390      -0.52897839       1.70339647
Cl       8.02773102       5.15683604       4.17156533       0.27794776       0.41040870      -0.03169556
Cl       0.41971745       8.00279800      11.33360752       0.83020394      -0.27036789       0.85168223
Cl       3.50111470       6.81597434      10.20623673      -0.28350374      -1.17614647      -0.94993974
Cl       3.93650675       9.62245400      12.02907689      -1.17588074      -0.62335876       2.72219354
Cl       1.34109444      11.78563768       2.97443039      -0.70460352      -0.55620847       1.30648667
Cl       5.21299267       8.88051262       3.30596102      -0.64884583      -0.32199389       1.33041039
K       10.88516337       7.05203507       5.44473088      -0.57719849      -1.29276429      -0.15885166
K        8.88347078       4.98399529       1.44465399       0.37374971       0.31387463      -0.56932832
K        7.86756808       9.84858981      11.41944230      -0.41112387      -1.08596040      -0.49963135
K        4.81170996       9.14347445       9.73228001       1.00973738       0.07037266      -2.29087280
K       11.18572394       4.12972857       4.24586934      -0.72586730       0.98886578       0.17350056
K        8.85164345       4.80689240       8.10418422       0.31213773      -0.44813557      -0.15365562
K        6.33139241      11.00041066       2.24155667      -0.13832170       1.28403808      -1.14590238
K        6.30676125       5.77015202       9.63067646      -0.46844025       0.16010902      -0.07860406
K       11.26065581      10.33398071       2.41603948      -1.43669627      -1.25444798      -0.76982153
K        8.20395250       2.20142236      11.53448432       0.25283128       0.05507750      -0.47158056
K        5.31755438       0.10000349       7.60470285      -0.20418258      -0.17530026       0.92014854
K        6.67576989       2.34970438       5.00891624       0.87515627       0.49543687      -0.12452602
K        1.97591439       9.28854476       4.31560934      -0.04886313       0.20400979       0.01220264
K       11.90088496      11.85233501       7.50453611      -1.14779216      -1.24452828      -0.02703195
K        3.35731217       4.13085146       7.20688540       0.14418369       0.16253801       0.63096042
K        3.37525428       6.87624825       5.33583457      -1.26123503      -0.13279637      -0.57816638
K        0.80574574       5.60215299       0.79733855      -0.19211791      -0.43295248      -0.51464951
K        2.78298346       1.57230138       4.31099703       0.53856215       0.25504430       0.65439185
K        7.80036364       9.78779672       4.87007616      -0.02588019      -0.04746549       1.09964453
Li       0.15104699       6.41437770       9.93403822      -0.22930284      -0.06378262      -0.53558387
Li      10.43719011       9.03567688       7.65670600      -0.48641967      -0.38931792       0.24151122
Li       1.11493205       0.87249378       1.24498460       0.35128568       1.10993000      -0.05224478
Li       7.65580044       7.15507544       2.75105954       0.14150371      -0.13683563       0.21042619
Li      10.88192751       1.02462865       3.75806363       0.02775682      -1.21666228      -1.72295124
Li       5.29054462       6.95167515       2.71039397      -0.87898746      -1.50496760      -0.94276422
Li       5.29093099       2.28649647      11.00777586      -0.89945779      -0.19458546      -0.26032715
Li       4.20794459       3.31277082       1.69041022      -0.97417460       0.02594553       0.43037865
Li       3.31227578      11.72812874      11.68898451       0.86194992      -0.42623592      -0.07989386
Li       0.95254265       9.62653504       9.67142654       0.38083730      -0.71364076       0.62606531
Li       4.19725901       7.40568546       0.04757195       0.14186445       0.46898930      -0.11222015
Li       1.31105407       1.31670475      10.11290394       0.22638920       0.66886138      -0.38854217
Li       0.11204765       2.73728299       7.40267901      -0.72358830       0.20553421       0.18891559
Li       9.87364357      11.59621920      10.26240544       0.55956437       0.31350429      -0.96490269
66
Lattice="11.6224 0.0 0.0 0.0 11.6224 0.0 0.0 0.0 11.6224" Properties=species:S:1:pos:R:3:forces:R:3 energy=-569.73055669 stress="-0.03952421827150407 3.521963138609793e-05 -0.006696393088449192 3.521963138609793e-05 -0.03461681481303013 -0.002066824036133133 -0.006696393088449192 -0.002066824036133133 -0.04018196686570949" free_energy=-569.73055669 pbc="T T T" config_type=melt 
Cl       3.29941340       2.18241940       4.39883433      -0.86765428      -0.85961268       0.13077452
Cl       5.94015053       0.90448306       6.78262344       0.69860736       1.53190125      -0.01033405
Cl       7.72308480       3.64420352      10.02945710      -0.98748361      -0.64616982      -0.02693501
Cl      10.39307551       8.49039565       8.87001810       2.01762948       0.83945547       2.27415740
Cl       4.07114076       5.92147333       3.61944781      -0.33456076       0.52882428       0.68024750
Cl       7.00005530       5.51231836       6.79571026      -0.39577942      -0.90274385      -0.15828148
Cl       4.78475612       5.32658079      11.13833866      -1.98688416      -0.94864296      -1.49447092
Cl       6.46047375       8.90648919       1.30434708       0.73275569      -1.77554862       1.28394201
Cl       6.23029212       9.82897070       5.20713738       0.22788718      -0.30588821      -1.22975028
Cl       5.62285901       2.66025114       1.99662372      -0.27479689      -0.21679046      -0.26578257
Cl       7.05952712       9.52151173       8.65094748      -0.69465125      -0.51610326      -0.23676445
Cl       9.42238428       2.54750223       7.36868296      -1.34907838       1.36074691      -0.86356355
Cl       9.28726226       0.19920096       9.98953416      -0.25770252       0.34088694       1.48677695
Cl      10.95285678       4.64030131       1.22279270       0.12675556      -0.05660487       0.32348113
Cl       8.58136417       6.43098772      11.42370810       0.91424455       0.48442389       0.49930855
Cl       9.33021865       7.47636449       4.22237143       1.23556863      -0.01885476      -0.19082854
Cl      11.02801884      10.24174024       1.51349217      -1.97651753      -0.91160097      -1.07277567
Cl       7.89196989      11.61843676       1.67074324       0.21650888       0.39203739      -0.79357658
Cl       9.86932367      10.95892367       6.49964124       1.28792101      -0.23110243       0.69865776
Cl       8.10971556       1.69677742       4.17471959       0.78074125       0.22065988       0.75700028
Cl       3.81830707       7.88489185       9.55338035       0.56300173       0.05906345      -0.53157352
Cl       7.78561331       5.01690194       3.49512300       0.18773911      -0.61547730      -0.71254393
Cl       1.79111644       2.22750269      11.25008804      -0.43625032       0.77654511       1.26965924
Cl       0.93558925       6.00881567       9.68710769       0.91883613      -0.17853591      -0.70966811
Cl       3.28603602      10.39264548       0.94644457      -2.90500987       1.13249158       0.91955163
Cl       0.65618095       1.99111470       8.16421299       0.68747712      -0.06399143      -0.14750657
Cl       3.62265559       4.25807544       7.69686467      -0.02574810       0.42244472       0.27773979
Cl       1.58861937      10.74228214       4.03867940      -0.21576406       0.36322673       2.56700980
Cl       0.72085612       7.30334182       6.32861763       0.01801451      -0.25027033       0.05524172
Cl       2.95691290       9.64969518       7.22383299      -0.26246746       1.15176821      -0.75551617
Cl       3.81655209       0.79389244       8.93326720      -0.08093908       0.07484793       0.09784301
Cl       1.55954012       7.36461512       0.97773789      -1.34351798      -0.40372969      -0.68244853
Cl       0.51316848       3.81218207       5.02346860       1.20344529      -0.60232270      -0.51883608
K        2.11327775       4.46902200       2.16876308       0.06781460      -0.56252389      -0.01180664
K       10.47492045       4.29051356       9.89937920      -0.20935977      -0.71464997      -0.33738243
K        8.47123031       3.23643162       1.33133430      -0.84108918      -1.04781658       0.02553269
K       10.77874161       1.31035587       0.97125026      -0.18298997       0.24232400      -0.12145522
K        1.51224858      11.26437197      10.24294897      -0.34973592      -0.61348680      -0.49822316
K        5.49540777      10.82696294      11.50358420       1.89025910       1.51417534      -2.46632502
K        8.95781371       7.40380585       7.16448901      -0.52230621       0.08961612      -1.35082432
K        0.63377412       7.78418376       3.39661153      -0.29911501      -0.19963589       1.22780830
K        8.62098493       9.52356890      11.06659359       0.14951504      -0.74972653       0.68481897
K        9.65270538       4.45887565       5.18708874      -0.70179024       0.11278455       0.93219613
K        4.84373980       7.48866099       6.76613125      -0.43331743      -0.04406925      -0.23499663
K        6.55538227       7.40940785       4.00473037      -0.49697728       0.27022868      -0.32620875
K        4.03741256       7.92469857       0.58508905       0.95816522      -1.16227749       0.72775954
K        5.97225160       5.28700652       1.69578952       0.24653965       0.97489821       0.29521150
K        4.64863457       2.41945825      10.99681270       1.05604888       0.07848952       0.50312452
K        9.26136755      10.22409743       4.00327757      -0.91463682       0.69834049      -1.45474078
K        5.61599017       3.32501755       5.09380736       0.72088370       0.65735266      -0.36666323
K        4.98582364       0.10745629       2.85461253       0.31810264      -0.42323296       1.01453994
K        6.71198249       6.35060721       9.52982175      -0.28929611       0.74589525      -0.68141461
Li       3.62707210       0.81433392       6.25297905      -0.21347856      -0.01983466       0.33013751
Li      11.31570811       7.14094203      11.15806188      -0.10307329       0.24874161       0.00597521
Li       1.92851645       8.27067418       8.61229138      -0.94748738      -0.35681478      -0.48636927
Li       9.18730962       6.03566341       1.80789919       0.25875682       0.22827600       0.98430362
Li       8.37167283       0.83675353       6.34967741      -0.88548541       0.54193429      -0.40532132
Li      10.21008082       1.20069852       8.65001769       1.51661222       0.11759676      -1.08232868
Li       0.03370496       1.45089393       5.44690749       0.15500324       0.31018307       0.50981990
Li       5.69239583      10.44451625       7.04869504      -0.37211307      -0.15204808       1.63463948
Li       3.20524872       5.75685366       9.54146739       0.00620901       0.13067521       0.02502873
Li       1.18293949      10.32081905       2.18784707       2.39457568      -0.12634623      -1.30241741
Li       6.61691126       3.05752801       8.06026225       0.46818102      -0.15462914      -0.04845455
Li       0.08770286       9.72506644       6.04216033       0.74283748      -0.31435194       0.39114084
Li       2.72318643       3.11777853       9.48831816      -0.82311741      -0.69750920      -1.18806298
Li       1.39786092       4.88875336       6.73812127       0.21353693       0.20210811       0.15072285
66
Lattice="12.648 0.0 0.0 0.0 12.648 0.0 0.0 0.0 12.648" Properties=species:S:1:pos:R:3:forces:R:3 energy=-569.69008495 stress="-0.002184649142022982 -0.0028754869595460776 0.002173278023655955 -0.0028754869595460776 -0.013844117453745336 0.0022384297919721585 0.002173278023655955 0.0022384297919721585 -0.009122755500390337" free_energy=-569.69008495 pbc="T T T" config_type=melt 
Cl       6.25236173       7.35310452       7.55862187       0.23872049       0.67504936       0.00534708
Cl       4.36264934       3.46350302      11.78348390       0.65718755       0.48052730      -0.32763403
Cl       6.47635781       0.29793882      12.33456991      -0.85910862       0.03477675       0.38411112
Cl       5.73280718       7.51130570       3.10540020       1.00289554      -0.06263287       0.21133486
Cl       8.49738173       5.67298214       5.86148794       0.31010189       0.24850609      -0.07785780
Cl       6.58377727       7.52438374      11.74274470       0.41545116      -0.15592288      -0.03252978
Cl       4.37396930      11.40616877       3.32546275      -0.21484394      -0.53044701       0.03048189
Cl       7.45955009      12.36768238       3.72215462      -0.68440246      -2.09849336      -0.22977218
Cl       8.20212682       9.85728204      10.07847026       0.40736567       0.32327330      -0.71044214
Cl       6.33530731       1.56417816       8.95798394       0.71926540       0.24330228      -0.20020450
Cl       5.00039945      10.21527103      10.21150193      -0.35459929       0.75383669       0.00608917
Cl       9.64028030       1.05753849       6.04517484      -0.11656803       0.24727520       1.03564201
Cl       8.52659861       3.08284882      12.33947734       0.36867692       1.90619299      -1.05477225
Cl       9.68198076       5.97185438       1.17936402      -0.30749531       0.23109371       0.81690556
Cl      12.28834147       4.46035514       7.50178176      -0.36322739      -0.07166840      -0.55895939
Cl      11.12811514       7.19413181      11.07586625       0.56565531       1.35001036      -1.25816571
Cl       8.75790523       9.46513080       1.01022738       0.05914440       0.68142013       0.96069990
Cl      11.69594710      11.46481754       3.97278739       0.22063791      -0.22624502       0.08411798
Cl       9.53902042      10.44579348       6.62798203      -0.17766643      -1.08582068      -0.06904933
Cl      10.60304606       1.51625489       3.01781280       0.27364560       1.16767269       0.02477076
Cl       7.52348573       2.87177899       3.33469579      -0.78111332       1.85699267      -0.75548729
Cl      10.68281700      11.96959922      11.56899912       0.32652933      -0.14719559      -0.16711826
Cl       3.62310814       7.97880108       5.36734322      -0.35324418      -0.01073174       0.07882525
Cl       3.11627748       6.76044454       1.08011896      -0.10646953      -1.68988554      -1.08213902
Cl       1.93943167       7.73426465       8.36319910       0.37318123       0.16701676      -0.08943210
Cl       0.28744604       1.73743046       9.79262546       0.13697098      -0.26417151      -0.13490785
Cl       4.10506018       4.89724236       8.23383535       0.91859740      -1.36308092      -0.00809908
Cl       0.94701521       8.77002202       2.52528703       0.16862336      -0.35253647       0.47443458
Cl       1.35363955       9.06687058      11.67359808      -0.34745806       0.52515137      -0.53235615
Cl       0.50306408       3.57574138       1.24038810       0.39177846       2.33235586       0.28118217
Cl       2.79423410       0.52093065       1.15277666      -0.64729496       0.05036648      -0.52455421
Cl       2.69560500      11.32710612       6.87980371      -0.28319052       0.65826330       0.29423330
Cl       3.72292615       2.78994643       4.81782557      -1.69873687       0.36364125       0.06565948
K        0.49637835       1.20185217       6.06374210       0.23003960      -0.53718990       0.88297348
K        9.47029118       7.68444418       8.41857204      -0.21066907       0.28778918      -0.21964632
K        8.82955615       0.88870034       0.99116431       0.36574703      -1.84571049       0.51372556
K       12.39493882       6.60379906       1.06911900       1.12231037       0.04231282      -0.41946730
K        3.50694890       0.63928557      10.08685589       0.15283003       0.12766168       0.13071368
K        4.00844210       3.36839006       2.12063957       0.20274531       0.16497013      -1.13058449
K        9.48962998       3.35959970       8.15234429      -0.31766267      -0.12870051       0.84010538
K        9.22378166      12.31200588       8.78967701      -0.14022511       0.06207016       0.48836845
K       10.48688683       3.71051846       5.51928365       0.18834817       0.15470413      -1.63477305
K       12.34408121       1.28971656       0.33631664      -0.30311309      -0.69034958      -1.39343981
K        9.40682352       7.82364806       3.54739721      -0.31383156       0.36559531      -0.35810238
K        0.84836081       1.66600721       3.06211874       0.81377134      -0.86062631       0.70657246
K        2.22555473       5.56570181       4.56123559       0.21227977       0.02703290       0.13460042
K        6.02616490       1.83113950       5.69793665       0.38849808      -0.21737986       0.84995039
K        0.92984555       9.53904571       5.25552226       0.36185834       0.12174396       0.67868063
K        5.48598146      10.69156942       5.96981806      -0.22349258      -0.34198200      -0.12669590
K        1.71608064       4.94157360       9.39165857      -0.68144331      -0.08143685       0.96879072
K        3.97961731       9.46014749       0.15995167       0.39785460       0.24009066      -0.03893273
K        0.21445949      10.93624498       0.86174998      -0.24576723       0.02464681       0.42276106
Li       9.37736633      11.45859473       4.68602076       0.64416408       0.26168131      -0.13435909
Li       6.73890499       2.86669450      11.03788430      -1.07597270      -0.51892223      -0.05336282
Li       3.35513496       8.20627536       2.45987158       0.31465024       0.65190258       1.88671286
Li       9.97619854       5.76244145      11.69738897      -1.33435838      -1.62021816       0.63152803
Li       6.74302824       7.10570964       5.25290412      -0.84870235      -0.20714700      -0.09843860
Li       8.93573611       8.69609446      11.71913088       0.07883043      -0.54680497      -0.00720531
Li       5.10296208       6.06858629      11.50066198      -0.70855299      -0.86896941       0.24100520
Li       5.82893198      12.40476631       2.03718806      -0.26715644      -0.01446918      -0.27899832
Li       4.77792113       8.63411926       8.72925751      -0.32877729       0.11455910       0.30411286
Li       6.98230310      10.95019572      11.71125118       0.14601310      -0.81875623      -0.47363879
Li       8.45101416       1.32639576       4.20137470       2.07866913       0.62851062       0.38004096
Li       4.03926528       6.70699409       7.32688522      -0.55505471       0.88893792      -0.69185019
Li       8.86952383       4.14062635       1.88056788      -0.46714886      -0.73993013      -0.06094104
Li       0.44337690      10.51834241      10.14866666       0.06430903      -0.36350900       0.11943995
66
Lattice="11.4668 0.0 0.0 0.0 11.4668 0.0 0.0 0.0 11.4668" Properties=species:S:1:pos:R:3:forces:R:3 energy=-568.17623117 stress="-0.04462787738988333 0.005513499045810069 -0.0022030422951981204 0.005513499045810069 -0.04107354332579212 -0.0009268925165432048 -0.0022030422951981204 -0.0009268925165432048 -0.038510052162159226" free_energy=-568.17623117 pbc="T T T" config_type=melt 
Cl       1.21900111       2.38437199       1.68053981       0.28493797      -1.37916108       1.40180974
Cl       9.06578968       1.25663515       8.65555344      -0.50341519       0.80136989       0.66310847
Cl       3.70768658       9.02669936       7.34096509      -1.20087387       0.70035969      -0.13609208
Cl      11.22213289       1.62368741       5.80199440       0.68868870       0.35272856      -0.30688531
Cl       8.39124370       3.66128044       1.78230766       1.48846424      -0.85026364       0.57493091
Cl       5.12313690       3.06654339       3.05137281      -0.37463312      -0.74078329      -0.53323021
Cl       6.11368496       2.45140690       6.55894080      -0.08570521       0.04149761      -0.00103201
Cl       2.83630151      10.65664765       3.51048055      -1.35120961       1.46835428      -1.68409554
Cl      10.19289585       0.09757479       1.43309773      -0.85820740       1.43606186      -0.34240168
Cl       5.11394053       0.74510234       9.51622852      -0.30588268       0.60439986       1.08907270
Cl       7.29874433       3.67381365       9.67756640      -1.46267052       1.91028905       0.15128775
Cl      10.33124280      10.09091013       9.30064121      -0.05441541      -0.37735957       0.54176673
Cl       6.58258534       6.77237235       1.20008089       0.25442710       1.04222968       0.41667484
Cl       5.26463722      11.00460769       5.15198737       0.18523699       0.14853559      -1.91542297
Cl       5.32252162       6.79824145       7.51473298       0.36010457      -1.41175963      -1.32315986
Cl       6.60290451       9.78309536       8.71886165       1.23753485      -1.90382524       0.29506012
Cl       4.07458978       5.38749251      10.51422999       0.87554793      -1.25328172       1.70919834
Cl      11.30754908       4.85355244       1.02916823       0.65160120       1.24852720      -1.24590170
Cl       6.51876113      10.81341027       1.18056439      -0.76690090       0.74477521       0.97450660
Cl      10.82558801       9.71553297       5.20808296       1.71446944      -0.86118658       0.26799785
Cl       1.80549353       0.39954001      10.60541398      -0.66625493      -1.34816489      -0.49940626
Cl      11.35519536       3.45828368       9.28614718      -0.93534768      -0.41209191       0.40412299
Cl       7.88267966       5.53184806       5.17837248       0.01593243      -0.44456875      -0.56015281
Cl      10.12943858       7.98220002       1.48106335       0.33772213      -0.33173581       0.31693140
Cl       2.71911082       0.58165572       7.06711497       0.36063003       0.22115201       0.57262096
Cl       1.45462091       4.37068549       4.23535431       0.94163034       0.79466035      -0.18233616
Cl       9.46502926       6.38964496      10.24065508      -0.93599413       0.65187043      -0.77164571
Cl       2.44630418       4.17595629       7.54119835       0.80684870      -0.86680556       0.49693974
Cl       0.84521209       7.30639269       9.07675194       1.69340921       0.64968691       0.20528656
Cl      10.89707204       5.87682673       6.45463879      -0.29131158       0.38818278       0.38174416
Cl       1.84872336       8.70928687       0.52701871       0.37980820      -0.33080601      -0.15182871
Cl       3.82405167       7.40457143       3.94539334      -0.35938578       0.04603095      -0.41790734
Cl       8.31168705      10.88088092       5.75651707      -0.94803155       0.36072663       1.07760004
K        6.49644674       7.70026580       4.67564503      -0.21529160       1.37182981      -0.20777227
K        8.75065908       8.10740600       7.33267460       0.42549467       0.24609000      -0.27578263
K       10.24633114       4.91202165       3.53474430      -0.07774282       0.15135724       1.35492772
K        8.57037805       4.39778154       7.59016159       0.75446080      -0.58302182      -1.10435064
K        8.93046997       9.85879917       3.21529072      -0.72794653      -0.20896717      -0.04094615
K        4.45833771       9.17110077      10.38455195      -0.66757611       0.31781003       0.41192259
K        6.10708008       4.15938676       0.77091640      -1.64943139       0.31922835      -0.94109432
K        4.90360502       4.79953234       4.98403315      -0.00460803       0.63102502       1.54045138
K        2.93561547       2.01721652       4.80393559       1.44045887       1.20978711       0.19111284
K        2.10873305       2.98306509      10.74141023       1.67404836       1.84749250      -0.55140908
K        2.76868179       5.88572497       1.63493634      -0.09784935      -0.31454835       0.47133072
K        2.31229169       6.68045448       6.28308399      -0.53855962      -0.32462522       0.04686161
K        6.55298953       6.61212382       9.76708770       0.76376487      -0.22855905       0.75212551
K        1.04380216       9.94662339       7.61746404      -0.05198720      -0.36194449       0.06510610
K        1.03978305       8.48833310       3.26208673      -0.39438379      -0.57279540       0.19897876
K        8.17579400       9.34001820      11.30420078       1.07199388      -0.77233689      -0.90986904
K        7.38198184       1.36428546       3.74087150       0.08801321       0.06595829       0.48779942
K        7.68928061       1.81161680      11.21556241       0.28627931      -2.84055082       0.97811393
K        4.28257460       1.14370093       1.20690363      -0.86233949      -0.76022563      -0.28228426
Li       5.39308831      10.44636947       7.02245179      -0.52817808      -0.56040654       1.13084761
Li       1.37777042       0.85209561       3.97634224      -2.09906895      -0.72774406      -0.71159878
Li       1.33136428       2.03236417       7.88514502      -0.45400862       0.83499140      -0.63753836
Li       4.34327984       1.96773728       7.90978717       0.03443407       0.59610549      -0.42692770
Li      10.85840599       5.92255633       8.76788222       0.23861903      -1.28096561      -1.10178147
Li      10.11313279       0.28537196       7.10675570      -0.45843266      -0.83031990      -0.73183162
Li       0.24317643       7.14124784      11.23999816      -0.59369759       0.16497411       0.35149338
Li       0.26411710      10.44404171       0.69322539       1.08836448      -0.59882778      -0.98584587
Li       3.51152403       9.41713243       4.95631790       1.07984640      -0.18315157       1.25256637
Li       9.13592063       5.47840130       0.65314549      -0.20072722       0.32910438       0.57907510
Li      11.10103201       1.26043066      10.08685089      -0.19348468      -1.26462867      -0.78157201
Li      10.59496773       2.85941858       0.22802305       0.17314301       0.66533932       1.01657374
Li       6.93733373       0.28182986       8.24046675       0.97234588       1.73144162      -0.48668596
Li       2.89233976       6.37001380       9.38849983      -1.45270757       0.83143942      -2.12115822
66
Lattice="12.5009 0.0 0.0 0.0 12.5009 0.0 0.0 0.0 12.5009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-569.79949008 stress="-0.01180896414563385 0.005491436172378331 -0.003015679480822443 0.005491436172378331 -0.0075666016484167145 0.004890811205375941 -0.003015679480822443 0.004890811205375941 -0.00575214497600039" free_energy=-569.79949008 pbc="T T T" config_type=melt 
Cl       1.64441839       3.67647719       1.72466167       0.01778131      -0.47484297       0.65761026
Cl       7.01968038       4.37562752      11.28652507       0.09154837      -1.33415882       0.77221671
Cl       7.90949444       5.61235406       4.20284008       0.80151312       0.89626790       0.13142997
Cl       4.75522985       5.29166847       7.09781101       0.90437395       0.39352863      -0.36109368
Cl      10.25122554       0.30002160       7.23690852      -0.72942113      -1.02915090       0.20532874
Cl       5.31288250       9.44760518       0.73162142      -0.31026434      -0.17433862       0.18515713
Cl       7.66436429      12.26120774       4.76996841      -0.85785369      -0.18457750       0.03047163
Cl       4.45127047      11.57724600       3.55815617      -0.01296488      -0.91895293       0.59099719
Cl       7.74849535       8.89086510       6.70349512      -0.75513729      -0.73722932      -1.27337595
Cl       7.98792509       3.25584690       7.36648035      -0.78445332       0.16027448      -0.62246398
Cl       7.89835614      10.76037469      10.54402161      -0.25772749      -0.03005899       0.54288970
Cl      10.90235991       0.15005080       3.88715485      -0.01466497       0.31441357      -0.44589473
Cl      11.51721668       4.12963481       4.19437697      -2.33656033       1.00284500      -0.63343932
Cl      11.95741087       0.44688217      11.07479733      -0.21129654      -1.40843845       0.01785415
Cl      10.70877098       3.52974162      10.07838809       0.25024016       1.30108441      -0.06051638
Cl       9.07759104       6.16559389       8.56425408       0.35743566       0.75280192       0.14524816
Cl      12.15780030       7.32545239      11.02331862      -1.21456322      -0.26204273      -1.12563651
Cl       8.66101105       9.03440043       1.56184995       0.72485349      -0.27635166       0.41233418
Cl      11.23817159       9.53557401       5.01489855       0.49595911      -0.54603318      -0.05516182
Cl       9.09289214       3.49387654       1.16547266       0.19068717       0.14530316      -0.11155205
Cl       5.52573532       1.08329799       8.62854621      -0.64927229       0.65607971       0.15956709
Cl       5.93123952       7.13226349      10.73974821      -0.28096167       1.43233084       0.01098439
Cl       2.68714346       6.71104566       4.61399468       0.69485649       0.28906824      -0.97437557
Cl       5.02757446       2.08561265       2.48911670       1.26576349       0.86384535      -0.63579978
Cl       2.44303839       9.76080273       9.69599806       0.77481360      -0.50715946      -0.79867540
Cl       0.62848025       7.33799080       1.30425640       0.94836618      -0.24944946       1.46783383
Cl       2.74922293       1.45121698      10.88159592       2.07037602      -0.74299205       0.62381347
Cl       3.80092365       2.25268718       5.68360919       0.00459949      -0.17293980       0.06405414
Cl       0.70954483      11.58773426       7.38408162       1.38881985      -0.04303257      -0.27797743
Cl       3.51372797       5.53077319       0.19988939       0.15186579       0.25638678       0.17299215
Cl       0.76667270       6.74246042       7.41759653      -0.10916992      -0.13638278      -0.25599943
Cl       1.19981638       2.67047976       7.72638126       1.09028614      -0.40669103       0.95347037
Cl       0.80777691      11.24027174       1.90341204       0.62301424       1.66565048      -0.98076569
K        8.77253158       2.74608520       3.87147873       0.30487559      -0.61290771       0.67707514
K       11.08454803       2.97273902       7.07490936      -1.02071650       0.17145446       0.12794705
K        8.48051055       1.94535256      10.15265594      -0.34421661      -0.45126064      -0.36416755
K       10.51298188       6.38388461       2.01983292      -0.23297235      -0.81179598      -0.16497428
K       10.43578882       6.87727013       5.26327893       0.23855255      -0.61962112       0.69407983
K        1.25990321       3.57054456       5.13628229       1.86408150       0.45782017      -0.09798830
K       11.82088854       9.52934856       0.59047001      -1.59571374       0.40589255      -1.15728519
K        2.61221307       1.02699644       2.91509737      -2.05856988       0.19756404       0.01872855
K        0.61466300       2.89098314      11.43901105      -0.76073541       1.18917766       0.51806846
K       10.19738416       0.72966253       0.95237357       0.35515859      -0.04311555       0.15361374
K        9.70631130       9.57057653       8.56577919       0.96508296       0.29477543       0.39707630
K        5.47660679       4.91935417       3.50608992      -1.73840273      -0.65974938      -0.54643909
K        4.03385292       8.40683025       6.99526612      -0.68324358      -0.40985647       0.45609556
K        6.48080408      11.22274548       7.81192492       0.57251056      -0.13411474       0.01435226
K        3.18189158       4.45344562       9.38501317      -0.29738966      -0.04007812       0.22030303
K        6.34748199       9.21531345       3.40902043       0.31885272       0.32749689       0.50127392
K        5.11619334      12.43863302       0.61588559       0.37283863      -1.29335974      -0.39313069
K        1.70579781       9.71948725       3.72449314       0.39556261      -1.27667308       1.48934182
K        2.70992010       8.81645974      12.18317713      -0.75887817      -0.35515156       0.17448966
Li      11.70453017      11.62817467       5.71952428      -0.19519411       0.70120952       0.45511136
Li       9.37735012      10.57268618       4.95353163      -0.61947157       1.13572762      -0.04371571
Li       1.59736500      11.60838574      10.05189868      -0.97497121       1.47242174      -0.07583426
Li       4.39200370       2.28293936       0.25764355      -0.79065106       1.57793857      -0.45922299
Li       4.78039416       7.18460475       0.26592039       1.20324128       0.06225485      -0.70967408
Li       9.50867208       5.90558767      10.92763673       0.33544272      -0.85921021      -0.40051838
Li       2.31955450       6.25961316       2.17864435      -0.32203677      -0.95236104       0.22862480
Li       2.50681798       0.57854040       7.00947965      -0.61309016       0.52119535       0.56645541
Li       5.29099342       0.92289144       4.99907241       1.05196713      -0.95931277      -0.81756787
Li       6.81170291       6.23544892       6.01468303       0.26812062      -0.19451454       1.11878265
Li       7.00629192       5.55686257       9.63443113       0.07376592       0.28381546      -1.15092402
Li       7.37610604       9.03711313      12.33833830      -0.22494797       0.23243332      -1.14105205
Li      11.58079626       6.30957926       8.67728722      -0.06319985      -0.11183617       0.89857663
Li       5.49550815       2.87893227       7.23202067       0.65150539       0.25868389       0.28097276
66
Lattice="12.4921 0.0 0.0 0.0 12.4921 0.0 0.0 0.0 12.4921" Properties=species:S:1:pos:R:3:forces:R:3 energy=-570.44716113 stress="-0.015489795318326494 0.0015915995633032773 -0.0018623606169650083 0.0015915995633032773 -0.0035518929412154863 0.002318830440894173 -0.0018623606169650083 0.002318830440894173 -0.013323801572726083" free_energy=-570.44716113 pbc="T T T" config_type=melt 
Cl       1.43706620       3.08052688       2.32832757      -0.30537679       1.08449380      -1.05184570
Cl       7.93377019       3.75773611       7.53322349       0.48758747      -0.32892118      -0.24786457
Cl       8.04763568       5.83764577       4.23534657      -0.57230538       0.12001797       0.13800549
Cl       6.06102951       7.61137407      10.02995706       0.72848379       0.03625228       1.10363236
Cl       7.06850488       4.52538815      10.92733955       0.05005218       0.43958846       0.72025452
Cl       5.36704338       9.06068253       0.90062669       0.24139914      -0.25963981       0.13381165
Cl       7.30139510       0.00687066       4.35096095      -1.06867063       0.31339042       0.09485579
Cl       4.10699024      10.91899483       3.77576221      -0.16739639       0.36379718      -0.01328562
Cl       8.11013365       9.11955779       6.08821232       0.51407399      -0.11391722       1.94635801
Cl       7.70080501      10.92791419      10.39826164       0.22177888       0.12957496       0.29569631
Cl       9.04725352       3.61224062       0.95673996      -0.90617183      -2.15230818      -0.03754672
Cl      10.37446419      12.41574878       3.78550605       1.95890971       1.03159861      -1.29359650
Cl       9.99923898       0.69033593       7.15120258       0.04564618      -0.38245460      -0.17420784
Cl       0.19187866      11.96666978      11.13853100      -2.35012862       0.03266928       0.69136449
Cl      10.70879026       3.72569387      10.51746126      -0.73126598       0.63239534      -0.52107805
Cl      11.05287267       4.80137611       4.35111086       1.05813335      -0.71096140      -0.69748336
Cl       9.19011318       6.97628820       8.77376397      -2.46452839      -0.28154794      -1.46282861
Cl      11.37481907       7.39003904      10.56857893       0.85430904       0.20176691       1.44335512
Cl       9.13113797       9.11970770       1.37604229      -0.97210933      -0.43588419       0.02925397
Cl      11.09841886       9.89358080       5.59945890       0.10548470      -1.01126490       0.04420080
Cl       5.71717196       1.41433058       8.71109111      -0.75321588      -0.11372184      -0.71755399
Cl       5.66567953       2.66200405       1.23112394      -1.10854310      -0.74216293       0.52710398
Cl       5.46585589       5.37176540       7.22755430      -0.82657099       0.24279642       0.07533171
Cl       3.78459412       5.66582943       0.62830266      -0.49360569      -0.14923282      -1.22198336
Cl       0.45976799       6.90651982       1.36657328      -0.44031278       0.45868396       0.05245755
Cl       0.70271810      11.57205684       1.62542208       0.43163676      -0.32433753       0.92033240
Cl       3.58591977       0.87446449      10.93488478      -1.72749663       1.15982434      -0.27458510
Cl       0.07755758       6.07273460       7.01360210       0.91498635      -0.02744457       1.09262072
Cl       1.26015308      11.15686940       7.25528676      -0.03512042       0.21937875      -0.22327646
Cl       1.39169489       2.58850053       8.36008808       0.39277766      -0.47261325      -2.49815825
Cl       3.48198549       9.13457330       9.80962140      -0.93143805       1.23359238       0.81009407
Cl       4.08921398       1.51168151       5.86080613      -0.49849090       0.47423034      -0.37507902
Cl       2.74403967       6.55570417       4.85992658      -0.09867259      -0.04763735      -0.95355312
K       10.44601894       7.13511276       5.77006351      -0.88301827       0.88302711      -0.70017973
K        9.97035725       5.81284896       1.55646569       1.16566634       2.39548311       1.01294755
K        1.51013249       3.94622941       4.99838902      -0.12683986      -0.07962873       1.53063159
K        0.65398017       2.59623314      10.78343056      -0.34460515      -0.52653051       1.97751353
K       11.36460053       9.43557045      12.32795506       0.55715597       0.83770242       0.47616166
K       10.64481822       3.88910303       7.16995322       0.72633745      -0.87260144       0.55754436
K        2.52474085       0.88708526       3.27110635      -0.34590542      -1.46621418       0.03694485
K        9.05389932       2.63544584       4.22783882      -0.40956417       0.06929650      -0.04843874
K       10.11990018       0.98443120       1.15851236       0.34241041      -0.39879320      -0.47500107
K       10.17656434      10.22741968       8.61964894       0.04825648       0.04722518      -0.02928256
K        5.20427132       5.28013584       2.82370179       0.66073526      -0.11522868       1.21720137
K        6.88167303       9.43517070       3.91001481      -0.95561071       0.03547576      -2.26207815
K        3.15675367       7.56414144       7.67131117      -0.02836913      -0.38198520      -0.49532371
K        4.94437318      12.08729350       0.25873013       1.00354638      -0.83787680       0.72278650
K        3.47505238       4.07757135       9.62595005       1.01873501       0.15303569       0.09692645
K        1.25688015       9.35502139       4.23212361       0.19552376      -0.06774252      -0.22938546
K        2.29190060       8.99030204       0.27582557       0.49398419      -0.06198674      -0.37811704
K        6.58870830      11.24680003       7.49189963      -0.26655276       0.13305989       0.32635299
K        7.97014718       1.90232197      10.03397951       1.15185728      -0.02414636       0.47552596
Li       9.19966963      11.68218719       5.18183551      -0.73520828      -0.82470505       1.54645937
Li       5.85402292       2.89000986       7.02489496       0.00597830       0.22400660       0.21227462
Li       3.11038299       2.77566967       0.68667700       0.95787217       0.44106564      -0.05955650
Li       9.13633468       5.92836340      10.90401680       0.49900357      -0.64411730      -0.46054623
Li      11.12878716       6.49870272       8.78328295       1.69567437      -0.88198513      -0.58393782
Li       7.15831059       9.15329896      12.00302179       0.10606700       0.46031104      -0.38808299
Li       2.34856477       0.51333911       7.03788674       0.29054391       0.59852268       0.45500207
Li       7.94913547       5.87361053       6.63223078      -0.88119232       0.08630948      -0.19933055
Li      11.89295390      11.75978811       5.60314407       0.01539240       1.20817207       0.37818499
Li       6.95977364       5.83286130       9.22778935      -0.22172911      -0.04706800      -0.82761215
Li       1.18322673       5.57398751       2.85130933       0.20770269       0.10688789      -0.11664461
Li       1.65871353      12.06625680       9.92654745       2.27474352      -0.22511293      -1.53989595
Li       6.30808577       6.40187646      12.26746581      -1.09338074      -0.07949339      -0.70470028
Li       4.99164329       0.60181191       4.07483558       1.32095069      -0.76436656       0.12085302
66
Lattice="12.4737 0.0 0.0 0.0 12.4737 0.0 0.0 0.0 12.4737" Properties=species:S:1:pos:R:3:forces:R:3 energy=-572.74217445 stress="-0.012795081724363158 -0.0010534589433449809 0.00020793708114006203 -0.0010534589433449809 -0.011846223314957015 0.003797422488266033 0.00020793708114006203 0.003797422488266033 -0.014418499546239291" free_energy=-572.74217445 pbc="T T T" config_type=melt 
Cl       1.23967123       2.72630177       1.45400931      -1.14637836       0.00721208       0.42227123
Cl       0.53139958      11.65889297       9.57771849       0.28435004      -1.43229538       2.94248268
Cl       3.72327471       9.63811615      10.94573412      -0.20354285       0.22445760       0.46701793
Cl       4.97512277       2.69229846       0.89903694       1.31831059       0.17861573       0.65351961
Cl       7.43575968       3.61621295       6.52520452       0.97817322       0.22980404       0.07425775
Cl       5.03550795       2.00276480       8.00684308      -0.41225242      -0.23138719       0.17695391
Cl      11.22139041       1.02904907       4.32100194       0.41734597      -0.05988792       0.12597450
Cl       6.50836503       8.66793671       9.21942393      -0.24718302       0.06495613       1.18569463
Cl       5.50464381       7.64431994       0.79189284      -0.33326524       0.43375466      -1.12579283
Cl       4.50460233       5.29897744       7.02709632       0.28384616       0.63559822       0.27660959
Cl      11.86503333      10.66468918       6.23172331      -0.10721758      -0.85233842      -0.53602351
Cl       9.03674660       2.09682897       1.39966140      -0.27518772       0.79062042      -0.65700744
Cl       7.23579379       5.59235887      10.57802192      -0.02683163      -0.27088474      -0.00662289
Cl       8.26118183      11.84732068      10.91563508      -0.13546887       0.60803364       0.25693202
Cl       7.68848931      12.29530114       4.02299278      -0.37233793      -0.11865167      -0.56977574
Cl       7.59557272       7.16706370       4.19630236       0.37808773      -1.52606747      -0.02650264
Cl      10.76378026       3.79185512      10.63513899      -0.13313846      -0.52017636      -0.01305302
Cl       9.37870061       0.72399850       7.48156310      -0.17602434      -0.24885385       0.05997776
Cl       7.55079214      10.01114215       5.98464426      -0.03048230      -0.54167042       1.11804849
Cl      10.71524509       7.68177846      11.11920586      -0.59997884      -1.64053925      -1.11511011
Cl       2.95443327       1.40869236      11.08743535       0.08608451      -0.92613238      -0.44298903
Cl      12.09965116       6.26778478       8.42976388       0.41744742       0.24419772      -1.14576315
Cl       2.61442515       5.98425757       3.12950165       0.05337372       0.34083773      -0.63149288
Cl       3.38785692      11.82029017       6.94000494      -0.15736381      -0.58525593      -0.32136844
Cl       1.09479544       1.65913931       7.90379785       0.79171920       0.42427429      -0.78599747
Cl       8.86426027       6.35412773       7.51794888       0.39740777       0.89553948      -0.75800339
Cl      11.88933210       5.07224300       4.28688637      -0.50279910      -0.35326385       0.72050611
Cl       4.10301156       2.05898376       4.38687555      -0.29191586      -0.28849441       0.40360344
Cl       0.82392156      11.28353439       1.20130088       1.46079948      -0.65646951       0.27394075
Cl      12.32703424       7.82107227       2.04420243      -0.65135435       0.34433211      -0.05148517
Cl       3.93964351       9.60284052       3.93878283      -0.52813273      -0.20188557      -0.29858971
Cl       2.43525292       5.44863690      10.93891100       0.67736830       0.20420352       0.62578697
Cl       8.33158339       8.87161976       0.70629956       0.74625432       0.69085283       0.73318674
K        5.92735256      10.95647397      12.12987493      -0.06007583       0.02679808       0.53775050
K       11.23087043       9.62273608       0.20676655      -0.18569964       1.17710963       0.43533175
K        9.34403620       6.04626434       1.99171310       0.04093068      -0.07304047      -0.24025675
K       11.27298164       3.02824015       7.18330446      -0.65107564       0.57391698      -0.16613633
K       10.41728582       7.37472586       5.27031288      -0.25343335       0.36449231       0.50786284
K        8.69038937       2.40491689       4.27420062       0.11955974       0.16864096      -0.13919037
K       11.08756009       0.19898919       1.43615945      -1.35828574       0.87788533       0.94648916
K       10.15971639      10.99641476       9.20764876       0.30657618      -0.77265952      -0.66054543
K        1.25711196       8.48365027       4.42546918       0.08582336       0.00329281       0.65947588
K        6.75523202       9.48704717       3.24805169       0.01728441       0.96523228      -0.67194105
K        5.45816680       5.54770302       2.40737421       0.21657216      -1.03151033       0.80977052
K        4.91455048       3.34421144      10.72975200      -0.36084042       0.60129069      -0.80063371
K        8.25836277       2.52780778      10.76002567      -0.13976922      -0.34601012       0.22713417
K        0.15410383       1.30184265      11.62163403       0.33039524       0.55624743      -0.38036208
K        1.44118635      12.34453484       4.22739930      -0.49684703       0.27460492      -0.35100106
K        6.38833061      11.80906384       8.24535270       0.29789154       0.06754354      -0.14920901
K        2.70892590       8.41085375       1.23373874      -0.12551986       0.30311771      -0.28569128
K        2.74145731       7.69462637       9.41955198      -1.32263516      -0.17679860      -2.00764467
K        2.50958370       4.31119762       5.28867417      -1.00608356      -0.00281806       0.37729769
Li       9.18341236      11.56046300       5.61239163       0.26869093       0.63566192      -0.00894913
Li       3.20078884       3.24110384       1.76456702      -0.23037982       0.10496240       0.30371356
Li       3.04001532       1.63733528       6.56898721       0.49641639      -0.26271200       0.69071347
Li      11.74296571       5.60358520      10.37400208       1.02082978       0.45618451       0.69680356
Li       9.60527290       6.43571820       9.47268994       0.27370825      -0.01536947       0.43338606
Li       6.54563644       8.41408444       7.18372857       0.46775776      -0.36212069      -1.06877796
Li       2.82839900      12.45530129       9.28052012      -0.34455259       0.41758870       0.24262362
Li       0.21325412      11.98181211       7.73076268      -0.11292089       0.92951304      -2.36322923
Li       5.42341508       3.28093236       6.13245760      -0.44177571      -0.16829495       0.17761880
Li       7.69120858       7.55075472      11.68150779      -0.40400729      -0.09871947      -0.64625048
Li       4.53526269       7.17409887      11.04645925       0.65154939      -0.03855876       0.76603576
Li       4.17690576      11.50031482       4.82606206       0.85756244       0.69598111       0.45728131
Li       0.10578758       5.79652839       2.46580102       1.19819223      -0.99284793      -0.42959657
Li       7.09187224       5.40398105       7.92683677      -1.11555170      -0.72163986       0.06893975
66
Lattice="11.6548 0.0 0.0 0.0 11.6548 0.0 0.0 0.0 11.6548" Properties=species:S:1:pos:R:3:forces:R:3 energy=-572.93604887 stress="-0.031085649224572683 -0.004452871286086863 -0.0011134743428656579 -0.004452871286086863 -0.025620455639593365 0.0019459084594826215 -0.0011134743428656579 0.0019459084594826215 -0.02881291939396149" free_energy=-572.93604887 pbc="T T T" config_type=melt 
Cl       9.68605953       1.11042855      11.07688509       0.11611302      -0.83266058      -0.80269235
Cl       3.41564893       8.03691698       9.01505773       0.41012188       0.29604727       1.16216410
Cl       4.75535653       2.53332229       2.54491882       0.06743183       0.30164735      -0.53024542
Cl       9.92701086       1.71081975       4.44602648      -1.29125242       0.51300624      -1.23006676
Cl       6.81012108       1.71676369       6.58890132      -0.06805929       1.23659834       0.50938999
Cl       4.59483497       0.84516530       8.63716249      -0.78608585      -0.31608067      -0.03601130
Cl       6.97598054       3.42801467      10.34924096       1.28283881       0.33479194      -1.17489538
Cl      10.55995974       3.80623624       1.95575702       0.10334321       0.56237739       1.07492510
Cl       4.25998091       6.76092617       2.91417785       0.79766714      -0.92327094       0.70314240
Cl       6.55810934       7.86357514       0.80777437       0.39381051       0.34066581      -0.90023773
Cl       7.14307541       4.07087013       4.01076632       0.59902805      -0.50319807       0.34644933
Cl      11.49718048       9.38301142       9.44838319      -0.06879431      -0.59109178      -1.85079964
Cl       3.82594451       4.20876972       8.00013444       0.54891844       0.12170920      -0.11705281
Cl       6.86630887       6.32398772       6.68048474      -0.13404575      -0.35762058       1.01058662
Cl       7.07538433      10.16108587       8.19129646      -0.02502280      -0.53503506       1.00776987
Cl       4.24989951       5.19203858      11.15313079       0.23047608       0.18842225       0.90481540
Cl       7.04030338      11.62042999       1.47207117      -0.72668424      -1.62515299       0.00909119
Cl       1.74049287      10.41460108       6.50074442       1.86349114       0.51911056       0.70581049
Cl       5.60996805       9.55755370       5.36688389      -0.17737471       0.50587755      -0.10946569
Cl      11.58370572      10.57403874       4.14680115      -0.88552781      -0.82857215      -0.47687624
Cl       9.43895446       7.16655983       3.26010397       0.87268408       0.32224925      -0.32941586
Cl       0.42122545       9.59087478       0.45499873      -0.60609150      -0.46763939       0.81679000
Cl       9.75850577       4.20730122       7.37385210      -0.95058770      -0.68214397       0.36497280
Cl       3.21469686      10.51715166       1.47601049       0.19870490       0.35270426      -0.15046420
Cl       1.06113574       5.18098983       9.47584190      -0.58080634       0.77772950      -0.09634900
Cl       9.82648821       6.90593519      10.51372515      -0.38233851      -0.66216465       0.70190677
Cl       1.61551845       1.49515933       3.88699235       1.41356887       0.46776656       1.56205909
Cl       0.23473117       7.64151624       6.31842838      -0.26242435       0.02500216       0.74763872
Cl       1.13772992       2.21128851       7.87379640      -1.28826835      -0.42803724      -1.70021506
Cl       2.18403959       5.45593821       5.08313613       0.88687570      -0.58655573       0.21240152
Cl       1.34093136       6.39798404       1.28560602      -1.80415568      -0.59964200      -0.03509921
Cl       9.71863470      11.30871071       7.14985850      -0.19156517       0.85420965       0.12229585
Cl       1.81878981       1.61596133      10.98865825       0.06636221       0.68562759       0.73751175
K        5.35064875      10.28064081      10.66755686       0.42131799      -0.01135952       0.61353642
K       11.55029141       1.03390663       1.93836806      -0.79131494      -0.39380238      -0.98303360
K       10.44091762       3.71732177      11.00886767       0.38327250       0.71061041      -1.92817902
K       11.18839821       5.05423222       4.97612175      -1.38441196      -0.12814317      -0.85308689
K        8.08300006       2.32283660       1.36539478       0.19179644       0.71281129       0.72602977
K        8.37417193      10.29509276       4.72283964       0.52025237      -0.00043789      -0.67321096
K        9.22975080       7.86842354       7.95208169       0.17433406       0.00100704      -0.89377045
K        1.99675861       3.71157595       2.18971548       0.33664365       0.45529909      -0.24853725
K        6.86809206       6.83935132       3.99475263      -0.54750079       0.80860229      -0.47109330
K        9.06450905       9.91727911      10.96330906      -0.30993923       0.27360190       0.46332831
K        6.39918449       6.51103560       9.54215771      -0.01149535       0.05397772       0.56001041
K        3.98734018       7.40432940       6.42902078       0.13263446      -0.20561937      -1.05587723
K        6.75415473       4.91959597       1.16090782      -0.43621046       0.71110602       0.54669673
K        4.69322479       2.39191460      11.35714806      -0.60301391      -0.77216623       0.31512410
K        4.52234212       3.44620781       5.24180457      -0.31776374       0.33318596      -0.25865802
K        2.18941245      10.83480324       9.77167569      -0.07352134      -0.34474799       0.31136376
K        4.38568959       0.00233096       3.74709978       0.02428238       0.00212354      -0.13763729
K        2.16793266       8.34271563       3.35631434      -0.79996328      -0.24108712       1.26382967
K        3.37785241       7.84484588       0.58869211       1.32419325       0.43836060      -1.07345302
Li      11.49700566      10.26275069       7.41146214       0.20310714      -0.72601495      -0.14045704
Li       2.71507890       0.65997636       7.17030102      -0.40712838      -0.13439192      -0.69305127
Li       2.77137158       2.14240865       9.02793628       0.83250216       1.09936617       1.14930106
Li       1.63316381       4.68605709       7.24036968       0.01558606      -0.30663930       0.03106003
Li       3.11692475       5.78510473       9.53431403       0.07703193      -0.20346791      -0.41461524
Li       0.53227821       6.96700634      10.89987198      -0.37406418       0.09975479       0.18019126
Li       5.92303929      11.63833177       6.97549104      -0.68476822      -2.20632698       0.39327844
Li      10.01834953       7.18782984       1.06869155       0.21401968      -0.05881030       0.76551239
Li      11.04703714       1.17490873       5.99113829       1.46050648      -0.54530517       0.91076013
Li       8.58339890       1.43464761       8.13412967       0.35801493      -0.11953588       0.61273672
Li       8.14826694       2.49683111       5.32792189       1.08355840       1.16014966      -1.45210243
Li       7.21667547       4.12516984       7.44717245       0.37495195       0.22686878       0.09201050
Li       1.01030450      10.14601621       2.36806888       0.11415674       0.80543674      -0.04720699
Li       1.34776107       7.88654675       8.40411311      -1.12341789       0.03891704      -0.77063407
66
Lattice="12.4669 0.0 0.0 0.0 12.4669 0.0 0.0 0.0 12.4669" Properties=species:S:1:pos:R:3:forces:R:3 energy=-571.2053097 stress="-0.006332202029595364 0.00020330341597255192 0.004105675194982848 0.00020330341597255192 -0.010474006256326968 -0.0025587800725446713 0.004105675194982848 -0.0025587800725446713 -0.01379943304188302" free_energy=-571.2053097 pbc="T T T" config_type=melt 
Cl       0.42426481       2.87218676       1.59277114       0.04907143      -2.62444847      -0.72251401
Cl       4.53979670       2.53624120       8.07680583       0.65865575      -0.38816941      -0.06204414
Cl       5.42635536       7.15222313       0.22068782      -0.17685853      -0.38943068       1.70469459
Cl       7.77150392       6.82497947       3.89442269      -0.31392748       0.56968045       0.55642596
Cl       4.47609084       5.33110824       6.71225376       0.43956918       1.17152325      -0.28597005
Cl       7.08592416       5.62135014      10.56428899       0.32779031      -0.46638194      -0.66034012
Cl       8.23695563       9.13938465       0.88800233       0.88341015      -0.31303115      -0.97986535
Cl       7.74794148      12.27383759       3.53963965       1.36986033       0.23430564      -0.78483152
Cl       6.22744095       9.15983037       9.06356097       0.38349680      -0.79201747       0.86385352
Cl       7.64103781      10.04369618       6.37175779       0.50173114       0.00432296      -0.92026245
Cl       9.05795086       2.27654321       1.11924587       0.76889825       0.29072178       1.17948874
Cl      11.14240408       1.45824083       4.94816248       0.10043396      -1.03509448      -0.35188591
Cl       9.22528160       0.57801909       7.77708909       0.33294507       0.05865812      -0.43137943
Cl      11.11057608       3.29983883      10.92231342      -0.93211589       0.37610663      -0.70276529
Cl      11.74453041       7.69464548       2.55421847       0.24606526       0.16064369      -0.55067970
Cl      11.86137020       4.85442386       4.59665823      -0.31085298       0.32049080      -0.57790905
Cl       8.70619728       6.36178427       7.24436599      -0.04542247      -0.57752865       0.31460902
Cl      12.45814824       6.61706898       8.37634804      -1.17835736      -0.03154502      -0.71422405
Cl      10.10234048       7.38673799      10.96446401       1.14619798       0.05500457      -0.05805496
Cl      11.78391335      10.33168157       5.65295374       0.38469024       0.30594430       0.11109050
Cl       7.36889785       3.38126015       6.21263028       0.59823510       0.05426299       0.22442778
Cl       5.54359409       2.82117220       1.69940054      -0.11049720      -1.38451462      -1.41117606
Cl       8.60075224      12.40909098      11.37542291       0.15161758      -0.91269693      -0.42949701
Cl       3.74373527      10.00216894      11.31490857      -0.41902798      -0.50245781      -0.23708691
Cl       3.72907419       2.28924698       4.12511021      -0.39994524      -0.32105000       0.91181767
Cl       1.44977580       1.75471617       7.43599471      -1.94248120       0.67833112       0.55594256
Cl       3.20750897       1.05443669      10.89876345       0.47166806       0.92348426       1.18152804
Cl       2.73027603       5.55328087       2.15034078      -0.13387100      -0.26243265       0.49697846
Cl       1.81171484      11.57215059       1.37958715      -0.79145188      -0.24129392      -0.57686223
Cl       3.94156004       9.55439529       3.86638463      -0.07128832       0.28546019       0.28558148
Cl       2.02956145       5.05865661      10.38101309      -0.26001566       0.20727277       0.66019589
Cl       0.29836408      10.87978883      10.17178111       0.00705586       0.28198190      -0.64455250
Cl       4.39322336      11.80160388       6.93804179      -0.05760483      -0.72407063      -0.48395234
K        5.85342149       5.18259007       2.61530628      -0.75227381       1.28727895       0.31230928
K       11.24399685       9.89881834       0.15019373       0.01083837      -0.26728351       0.06833374
K        0.19590362       1.21143984      11.57541691       0.68629658      -0.58600954       0.17788076
K       10.42009682       7.48257105       5.15837935       0.32606934       0.34981679       0.25528050
K        9.27721870       5.71996332       1.98289785       1.04217750      -0.31860307      -1.03263895
K        8.22835347       2.78706276      11.13992316      -0.29722790       0.26109625      -0.92137926
K       11.08559241       3.22617192       6.87499667      -0.22565100       0.81160237       1.52268236
K        1.63973396       8.05356753       4.61625620      -0.44535618      -0.02584569       0.26577660
K       10.92139087       0.19044935       2.59757835      -0.21999175      -0.10816849      -1.12290214
K        2.15280923       4.70445952       5.10327565       0.40459561      -0.52327186       0.41677500
K        6.16200220      10.99591800      12.18280428       0.16881998       0.77136858       0.24733389
K        8.60977828       2.69885945       3.81048305      -0.00297436       0.04654462       0.07114912
K        1.99706024       8.31432521       9.40918084       0.47850231      -0.13185387       0.29134187
K        6.72007051      11.85941290       8.78880296      -0.34949938       0.82915437      -0.22522981
K        6.62421251       9.66212177       2.93169127      -0.32530626      -0.51624929       0.93165721
K        4.65456698       3.58463269      10.69842037      -0.40657595       0.49684534       0.52666605
K        9.65819470      10.38206031       9.00653737       0.10900978      -0.14399952      -0.03625498
K        2.85357367       8.41091875       1.46973531      -0.06638060       0.30392895      -0.92560606
K        1.43590014      12.12212788       3.97379944       0.43838025       0.32667416       0.90385815
Li       3.03436866       2.78974315       1.84126139       0.28618139       0.03683889       0.07850256
Li       8.96429951      12.01154648       5.50442309       0.30009246      -0.23113825       0.86336779
Li       5.25765327       3.34442046       6.08013206      -0.87295870      -0.37054008      -0.13970399
Li      10.06270820       6.60804294       8.83630185       0.88149537      -0.04487140       0.46312710
Li       3.19749805       1.04947237       6.92421600       1.99404502       0.36998994      -0.50159496
Li       8.15008627       7.48968965      11.68223331      -0.86453048      -0.25762632       0.20936696
Li       2.49127309      12.19183032       9.63021897      -0.31097688      -1.35648234      -0.55843541
Li       0.32513675       0.00274272       7.22156403      -1.13366414      -0.85853459      -0.24021016
Li       0.65637356       4.61503444       2.28327533       0.05280942       2.61741984       1.17255954
Li       5.84516840       8.33857333      11.11158590      -0.87128707       0.48200606      -1.48230215
Li       6.09286077      12.30655073       4.65716010      -1.89106800       0.01890987       1.46463102
Li      12.04404769       5.14071375      11.14191787       1.11327313       0.63474386      -0.56803703
Li       6.55980851       4.79452040       7.94483123      -0.06401528       0.21736816       0.03185536
Li       7.32355574       7.33228257       6.01318481      -0.87052318       0.86685926       0.01905889
66
Lattice="11.994 0.0 0.0 0.0 11.994 0.0 0.0 0.0 11.994" Properties=species:S:1:pos:R:3:forces:R:3 energy=-568.09012585 stress="-0.014824659623444182 0.00339941478941346 0.0010807163314712626 0.00339941478941346 -0.018649518837118212 0.0032141267155856384 0.0010807163314712626 0.0032141267155856384 -0.02644428290861252" free_energy=-568.09012585 pbc="T T T" config_type=melt 
Cl       2.50975649       2.86811323       1.91727688      -1.04056043       2.37215150       1.31878140
Cl       6.21121284       2.97640705       7.38295468      -0.59278628      -0.06996790       0.10913017
Cl       5.03362993       5.24683527       2.43381049      -0.25685568      -0.11317505      -0.84424351
Cl       6.23834327       6.10710492       4.96898227       0.20585325       1.81933365       1.09493259
Cl       3.94381910       6.12146174       8.33980001       0.47229611       0.43637869      -0.30760967
Cl      10.34975453       8.39341319       9.13340701      -0.47267460       2.15043976       0.01707471
Cl       5.53164479       7.36071780      11.73840786       0.27475271      -0.78968135       1.34635784
Cl       4.35312635      11.29993121       8.72336813      -0.26561700       0.16402608      -1.27468202
Cl       4.85322817      10.97593729      11.53770026       0.48845318       0.02042117       1.37027151
Cl       7.89019293       0.85119499       4.58086842       0.01951207       0.21439057       0.31232522
Cl       9.89503801       2.82670994       2.16789151      -1.46075070      -0.33043700      -0.13876671
Cl      10.03582358       0.25197115      10.70757154       0.20009746      -0.25651120       0.68791738
Cl       9.70330192       6.66269099       1.16281590      -1.36054895      -0.47137947       0.82069284
Cl       9.29672931       4.80231364       5.14480231       1.17935886       0.37161401      -0.41712376
Cl      10.40122079       5.65816950       8.23091848       1.27573648      -1.95659479      -3.49826994
Cl       8.15913439       9.77215948       0.98672119       0.06376167       0.91274778       0.28076376
Cl       8.14318237       9.03147001       4.21828980      -0.08034179      -0.35694834       0.06155809
Cl      11.03570339      11.43554737       3.88796305      -1.56498484      -0.36659332       0.50197245
Cl       8.50734420      10.64853707       7.52267278       0.12785950       0.96172272       0.03103205
Cl       8.92582685       2.82702178       8.55959006       0.66948709      -0.86804820       0.26505258
Cl       4.25754616       1.36575678       4.32688348       0.18007872      -0.08608203       1.57081895
Cl       7.74576118       6.22225931      10.01816841       0.09375272      -0.57949665      -0.27397067
Cl       6.68430418       1.66481518       0.70304870       0.59826862       0.88109157      -0.23086587
Cl       4.04931833       3.12147448      10.74494484      -0.07538718       0.95151644      -0.91170278
Cl       1.97336083       0.87823786      11.84551428      -0.85661014      -0.76167821      -1.61900477
Cl       0.45596510       4.13682655      11.58820700      -0.11391288      -0.60564196      -0.36037887
Cl       0.73658033       7.05702972       1.47894416       2.14061753      -1.35074805      -0.34113112
Cl       0.42879390       0.81141449       8.07859468       0.01403711       0.47096482       0.70717807
Cl       1.57632344      10.25906790       2.64599634       0.89271389      -0.26195054      -0.14830680
Cl       1.54112105       6.48910183       4.80985787       0.74161257       0.30993428      -0.77772292
Cl       1.31196369       9.01477436      10.29948768       0.52708853       0.20422172      -0.90782668
Cl       1.40188271       3.69555530       5.89012147      -0.05933942      -0.79123313       0.56135133
Cl       0.00984324      10.09062416       6.59189041       0.07069926      -0.41877402      -0.11540208
K        4.42903637       4.08690752       5.58945587      -1.62640542       0.33719962      -0.07125497
K        8.57163204       7.25220808       6.63997435      -0.30699626       0.11093474       0.30784441
K       11.24559839       7.78748831       3.54975623      -0.78435666       1.28121002       0.71272098
K        6.82578540       3.57067377       4.37527927       0.98468602      -1.34532068      -0.66647757
K       11.62523248       4.61801384       3.11450597       0.51532721       0.06528482      -0.38607691
K        9.62920299       3.52792715      11.45867180      -0.74482373      -0.37807790      -0.68611066
K       11.50639592       9.09014465       0.24581703      -1.24900941       1.25953611       0.33914053
K        1.56582869       0.05964856       5.19747996       0.30237522       0.35209772      -0.32389958
K        4.21291649       0.81621569       1.67624546      -0.14589437      -0.62212830      -0.04003875
K       10.73012026       6.20780654      10.56870500       0.22762813       0.54744707       2.68826447
K        3.99837981       8.77957202      10.21289100      -0.32753226      -0.18342620      -1.56505790
K        7.27631602       9.18253444      10.16281605       0.49401665       0.30409327      -0.03114058
K        0.39399091       7.44326051       7.08665490       0.07715202       0.36404339       1.22970211
K        4.35506938       8.11502046       5.72691911      -0.14804576       0.07919608       0.21714614
K        4.16317737       8.85896030       1.76356178      -0.28297633       0.32944645       0.18922023
K        2.98307572       5.67443336      11.94412895       0.40900427      -0.35818534       0.14524600
K        3.49228099       1.78222444       7.61760529      -0.25912375       0.16070631      -0.07248927
K        1.53947788       4.94531810       9.11599172      -0.15566511      -0.27217774      -0.70488446
K       11.87849778       0.96190321       1.89818243       1.12232241       0.10764484      -0.98265195
Li      10.16465113      11.24364337       5.94933584      -0.30351934      -0.06293209      -0.53576323
Li       8.08870562      11.12071686       3.38354338       0.41216153      -0.82943987      -0.07264135
Li       7.88201302       7.75433689       2.19803243       0.21891906       0.32299385      -0.05060399
Li       8.32418383       0.24774926       0.92441956       0.35381207      -0.17149653      -0.70216708
Li       0.43553932       2.26318384      10.07881007       0.01289581      -0.91405071       0.49509641
Li       9.55852235       0.65928619       8.57959606      -0.28285838       0.74316742       0.14693566
Li       2.73934564       5.24051443       2.97613119      -0.06921121      -0.54916277      -0.07695221
Li       6.15642425       5.04436456       8.98935907      -0.14954889      -0.40326787      -0.05163177
Li       7.11602821       4.64496436       1.28466535      -0.44803219      -0.01090489      -0.20513385
Li       2.38533074      11.42457286      10.19994947      -0.08222756      -0.27882485       0.05572622
Li       4.89938108       1.19045967      10.69838413       0.49519462      -0.72453828       0.14258264
Li       7.16264888       0.97961715       6.68106580       0.09735052       0.01403349       0.27639983
Li      11.47729848       4.91301826       5.90468218      -0.56025977      -0.59998533       0.83803747
Li      11.03785031      10.56633019       8.57080445       0.16797340      -0.48112937       0.55071025
66
Lattice="12.4436 0.0 0.0 0.0 12.4436 0.0 0.0 0.0 12.4436" Properties=species:S:1:pos:R:3:forces:R:3 energy=-568.68274411 stress="-0.012503847422262925 0.0027018411290002015 0.0016259421315854969 0.0027018411290002015 -0.0054991561202538805 0.0007015843730379318 0.0016259421315854969 0.0007015843730379318 -0.011040583928360867" free_energy=-568.68274411 pbc="T T T" config_type=melt 
Cl       4.70957907       6.93607508       5.62906156       0.13711648      -0.10650555       0.07936281
Cl       4.81756463       3.64704495       8.67418469       1.12221496      -0.70706941      -0.71668587
Cl       7.47723480       2.75709112       6.44221349      -3.24119840      -0.82022402      -0.11694187
Cl       5.08665748       6.87995445       0.98700644       0.04368226      -0.92603604      -1.14000296
Cl       7.85636641       6.30146393       2.29232266       1.24163037      -0.08065443       0.64942777
Cl       9.19737585      12.21194994       8.11697272       0.83002134       1.18060679      -0.39554993
Cl       8.27309013       6.32515654       7.00380560      -0.12705178      -0.60314374      -0.38725880
Cl       7.07396262       5.53500039      10.55389002       0.72752864       0.49744349       1.75819796
Cl       7.24574651       9.01754094       0.34817442      -0.08387722       1.46092904       0.46139585
Cl       7.22735487      12.28840342       3.74159142      -0.08306135       0.18921763       1.12135363
Cl       4.87342395      12.13628041       7.16775003       0.05779228      -0.10249483      -0.57911801
Cl       6.83087689       8.90408020       9.08594341       0.33070263       0.09452718       0.75283776
Cl       9.49032308       2.92194393       1.26822682       0.48607395      -1.11771460      -1.06594132
Cl      10.08710569       1.28658113       4.71669681       0.57484026      -1.01948467       0.40540548
Cl      10.88267482       4.02382471      10.09052768       0.00175836      -0.41316631      -0.18892376
Cl      11.28781354       4.70730189       3.76268332       0.12069425      -0.04054495       0.93290996
Cl      11.97207467       6.37399767       7.35946857      -0.18909621       0.17853817      -0.48349787
Cl      10.35541460       7.44526720      10.43872450      -0.29773178      -0.15816621       0.69704242
Cl      12.27445415      10.33575371       5.37694178      -0.67569446       0.72881825       0.22455763
Cl       8.68608077      10.12023056       5.66570796       0.03353924      -0.29989271       0.30420560
Cl       4.92787714       2.78708020       1.44737733       1.30526005      -1.11365302       0.57000107
Cl       0.15357020      11.05834112      10.06720838      -0.92331902       0.86576321       0.84413381
Cl       9.26744576      11.87523857      11.97565842       2.48751464       0.34381511      -1.75312002
Cl       4.02656231       0.98587781      10.95586807       0.12133792      -0.45496743      -0.27838019
Cl       3.39723968       8.49264501      10.31769805       0.20420824       0.52510608       0.47725969
Cl       0.54089094       7.47566691       0.76090374      -0.27756494       0.18418078       0.50405077
Cl       2.24338198       4.22743934       1.73392855      -1.69036943      -0.10959212      -0.30946974
Cl       2.33181865       5.12651433       9.41399404      -0.28140903       0.13272418      -0.34354891
Cl       3.79812270       3.21079722       4.78415356      -0.28781344      -1.35628732       0.44188517
Cl       2.28216868      11.51706199       0.89439993      -1.35766184       0.65294532       1.17231365
Cl       1.29077463       1.01330226       8.05588709      -0.86240174      -0.01567875      -0.53273718
Cl       1.19697228       1.29226786       3.07543574      -0.92483657       1.06292715      -0.79983703
Cl       3.54448480      10.06849007       3.97760918       0.39363022      -0.10349984       0.31261052
K       10.91562547       5.35455574       1.01483531       0.01794993       0.64361055      -0.67790651
K        8.46540597       2.21686467      11.03301839       0.10054231       0.60851596       0.33316398
K        0.30537465       3.43406029       6.98485400       0.90902943       0.75908640       0.15466336
K        9.83743730       3.21749188       6.50057397       2.53714272       1.77555218       1.15788057
K        8.54810613       3.63304590       3.66348295      -1.00695282       0.45000517       0.20614527
K        0.00927098       1.95222663      11.52595916       0.25639551      -1.03791255      -0.14922076
K       11.04273684       0.36778429       2.28091188      -0.14359674      -0.07960414      -0.38020477
K        9.89668128       9.59797266       8.61540112      -0.15763167      -0.61655465       0.19671955
K        2.21239742      12.34247086       5.01719730       0.55420386      -0.56238788       1.40865118
K        3.42521289       8.84457490       1.38910396      -1.21237965       0.27798659      -0.18150298
K        1.58283836       8.26388187       5.51491641       1.16269130      -1.02028454      -0.22063367
K       10.35617366       7.41675891       4.37755893      -0.33459757       0.13434073       0.53084239
K        6.80337653       0.60920630       9.07180748      -1.33873032       0.06873426       0.27897698
K        7.45496076      11.96652482       1.15499255      -2.54696165      -0.05913673       0.50499107
K        3.94219470       4.14375613      11.67166127       0.40696138       0.57410121      -0.50476773
K       11.06100405       9.72604220       0.84431319       0.34022763      -0.33189883      -0.87667978
K        4.54717764       5.32406892       3.17016887       0.25938715       0.23122587      -0.29656251
K        0.95455602       9.10915073       8.54453482       0.71154600      -1.13707588       0.04591515
K        6.76258641       8.82440383       3.92525896      -0.67891863      -0.40692686      -0.50168019
Li       0.60148380       3.53545074       3.36207407       0.98873518      -0.19388560      -0.59677147
Li       3.36376640       0.98668664       8.46194665       0.91276833       0.20639522       0.54657675
Li       9.51978953       6.01619440       8.72781660       0.67028125       0.40981054       0.68982531
Li       8.36009578       7.53659078      11.88715954       0.28347519      -0.93622118      -0.76305237
Li       3.65686295      11.15006289      11.98582484       0.81812531       0.10303646      -2.11264553
Li       8.26710476       0.15984924       6.00138651      -0.08910991      -0.19987632      -0.54124223
Li       6.42699496       9.61739712       7.19090757      -0.24455831       0.16982671      -0.54693635
Li       5.40843653       7.57105955      11.07867396      -0.04523675       0.16086852      -0.06767936
Li       0.64242325       4.62957916      10.34207506      -0.96049142       0.80927785       0.10716259
Li       6.76593374       4.87058681       8.71466372      -0.76104428      -0.16372011      -1.79354303
Li       5.33575346       4.10829187       5.98636709       0.00968109       0.39274015       1.13305655
Li       5.50657920       0.91781505       4.40220970      -0.65269599       0.53761713       0.33203903
Li      11.07232772      11.99339055       6.62464911       0.03916904      -0.10739662      -0.20255095
Li       2.85739898       1.86906605       1.51067793       0.27813425      -0.00861606       0.16903235
66
Lattice="12.2544 0.0 0.0 0.0 12.2544 0.0 0.0 0.0 12.2544" Properties=species:S:1:pos:R:3:forces:R:3 energy=-570.91876655 stress="-0.012442175120522144 -0.0027923418628878296 0.0018088781925633753 -0.0027923418628878296 -0.01588541090263299 -0.004037961412000651 0.0018088781925633753 -0.004037961412000651 -0.010349652525649938" free_energy=-570.91876655 pbc="T T T" config_type=melt 
Cl       2.80932120       3.02469228       2.67136116       0.09392742       0.98669422      -0.50060497
Cl      11.62039411       2.56088775       7.33987092       0.56819651       0.99293498       0.27028049
Cl       2.20073093      11.14917566      10.78856544      -1.81734500       0.03114391      -0.91863562
Cl       5.45712941       1.06943781       1.44185270      -0.13244737       0.04015633       0.12713764
Cl       7.65801965       1.42274809       4.57024172       0.41597785      -0.10409223       0.70157787
Cl       0.04864997       1.93022731       1.01342172       0.10641333      -0.20833169       0.04583080
Cl       4.80922703       0.40521747       6.73585154      -0.55112471       0.48602194       0.09104167
Cl       8.84194174       0.21901921       0.40715857       0.26015910       0.47481431      -0.11386265
Cl       5.02652205       2.52554606      10.19704555       0.79235841       0.42432740      -1.05770734
Cl       7.88307170       6.00532999       2.09734056      -0.04456543      -1.43105605       2.41485979
Cl       4.57231271       6.97372170       1.54822090       1.14832780      -0.93194528       0.10434719
Cl       6.09760562      10.00318094      11.71242465      -0.03775815      -1.29941280       0.72091152
Cl      10.63841227       9.09128202      11.29836073       0.17865582      -0.06669710      -0.18716224
Cl       7.09670686      11.82028788       8.89277299      -0.83151011      -0.92258053       0.28383336
Cl       4.76958404       6.75317926       6.99514239       0.04421928      -0.09100379       0.46531879
Cl       6.22146084       5.48555962      11.60804167      -0.67567267      -0.25069972      -0.64584310
Cl       8.00125314       8.43106396       8.12438535       0.15311422      -0.07985449      -0.75009490
Cl      10.58112295       7.73105587       2.88195303       0.43665225      -0.89809418       0.13705543
Cl       8.70667767       2.64997724       8.52575371      -0.97052485       0.90520768      -0.26081847
Cl       1.50662946       9.37581693       3.61037907      -0.08841772       0.83444368       0.53068983
Cl      10.79192314      11.40425100       8.57316599       0.20576735       0.21180924      -0.43477153
Cl       9.50750271      10.45574819       4.24505896       0.85934836       0.71581808       1.13236236
Cl       2.84305756       3.33184882       7.76111592      -0.31808679       1.27074370      -0.50227527
Cl       1.59793700      12.00077068       6.56721874       0.09307529       0.12444254      -0.53215354
Cl       9.41141596       5.54657427      10.68066544       1.04396430      -0.66345795      -0.29844576
Cl       2.27031142       6.54182762       4.71164524      -0.10089046      -0.82484486      -0.32013764
Cl       2.06893486       5.07922822      12.13509631       0.70693605      -0.28589941       0.54778264
Cl       1.80333300       8.02133810       9.04565889      -1.02443920       0.10433096      -0.79415758
Cl      11.56778597       3.95706830       4.05918422      -0.44715635       0.00484388      -0.58429624
Cl       8.33177881       5.00565280       5.20139233      -1.02791071       0.99145482       0.21676731
Cl       1.58864816       8.33643549       0.56564350      -0.01628176       0.01610995      -0.00188757
Cl      11.74141856       5.84550811       6.86213313      -0.77375558       1.92381586       0.78907681
Cl       5.30203772       9.49356946       3.91939828       0.21743792       0.50889612      -0.02933470
K        8.35283187       7.36849719       0.08810914      -0.23940381       2.61862986      -1.79728773
K       11.39344262      10.39075085       1.96548322       0.15039780       0.53315988      -0.93949690
K       11.12896816       0.84173758       5.44344124      -0.35148674      -1.01431510      -0.98732950
K        4.59187073      12.07042469      10.85440833       1.95922264       0.27026024      -0.03028973
K       10.76487768       8.95882421       6.80225813       0.41119718      -0.23136456       0.02138004
K       11.18231156       5.49669887       0.99077314       0.39792289      -0.55262773      -0.18504198
K        7.01911200      10.97255300       6.16760276       0.19858230       0.12481043      -0.27469521
K        5.51865875       6.72016591       4.27195737      -0.12762559      -0.66498452      -0.19922861
K        4.39931735       7.91688159       9.88851652       0.94335089      -0.18660751       0.75297867
K        7.51842978       5.42483906       8.38470557      -0.15311325       0.10161871       0.08553831
K        8.22436900       8.11681213       4.35152519      -0.84171129      -0.70771220       0.26261035
K        3.87496382       3.62043994       5.00965999       0.64735852       0.02093879       1.03179805
K        7.89803433       3.13751854      11.56779822       0.18154391      -0.79684251      -0.55268054
K        2.53788624       0.35643638       3.19470983      -0.01802085      -0.70687983       0.01070848
K        7.64087574       3.10146610       2.36028322      -0.03189748      -0.43943165      -0.00166710
K        3.29192398       2.17551138      12.18282205      -1.90466992      -0.17206134       0.66441421
K        3.52865448       9.59499913       6.50670651      -0.22311285      -0.03946843      -0.22791801
K        7.47267185      11.35458392       2.60481977      -0.84622346       0.43685442      -0.86398166
K        0.13203626       5.65530756      10.25036444      -0.26219807       0.13670881      -0.93238952
Li       2.49740996       1.34022696       8.32541878       0.34556498      -0.20363611      -0.56317845
Li       2.60238115       6.60338148       1.86703137      -1.47610459      -0.20932279      -0.26016706
Li       0.26688000       7.48547770       3.88243901       0.76660519       0.26453137       0.11761723
Li       0.44351982       4.38108280       5.91412049       0.26463977      -2.09841740      -0.47019886
Li       4.17275800       8.99464382       1.63261695      -0.16600313       1.13817170      -0.17152232
Li      10.03788540       5.60957414       3.88250028      -0.20543616       0.12400678      -0.22456137
Li       0.91787907      11.61588449       8.47002070      -0.90715930      -0.66895467       1.29262374
Li       8.77232449       0.62251249       8.92057823       1.62574210       0.22956398       0.43706283
Li       0.66111630       9.40071787      10.89128182       0.02153120      -0.31410874       0.20694346
Li       9.78420707       3.64606389       5.69035515       0.92406847      -1.06267816       0.91459037
Li       5.99258542       1.94778786       8.14352672       0.22702701      -0.46580518       0.15681447
Li       4.37607075       4.63974867       0.45409905      -0.01740505       0.82471370      -0.12632850
Li       1.74554124       6.07682216       6.81796827       0.76392171       0.68625354       0.96143962
Li       9.06743496      10.12099474       9.02344166      -0.52374944       0.03495668       1.24475884
66
Lattice="12.4036 0.0 0.0 0.0 12.4036 0.0 0.0 0.0 12.4036" Properties=species:S:1:pos:R:3:forces:R:3 energy=-573.20011238 stress="-0.008160494592332528 0.0018605039926943867 0.00047949246670220795 0.0018605039926943867 -0.009163812777812818 0.0015937165583685942 0.00047949246670220795 0.0015937165583685942 -0.011245799599174877" free_energy=-573.20011238 pbc="T T T" config_type=melt 
Cl       4.86400972       6.41344263       7.97348061      -0.39799497       1.48635188      -0.77908440
Cl       5.41241009       2.44817295       2.44207038      -0.65601635       0.67123048      -0.38883307
Cl      10.60397408       3.71384870       9.18423322       0.57369988       0.45498392       0.50738014
Cl       6.55810581       2.02158834       5.54650541       1.94445622       0.45707847       0.22557946
Cl      10.38346288       0.72415318       7.23020728       0.41449075      -0.27665427       0.27377974
Cl       9.97115481       0.18245199       3.97599879      -0.74871116       0.03530770      -0.11411185
Cl       4.62354113       1.81541570      11.13525748      -0.66825286      -0.35720159       0.48275182
Cl       7.68858232       0.12891310      10.29006377       0.06666212       0.69091896       0.63918504
Cl       3.09526877       8.33830770      10.36002007       0.39636622       1.77951803       0.79669409
Cl       5.02724110       7.49653738       1.41697486      -0.41192081      -0.42224008      -0.09318910
Cl      11.95880690      10.95895271       9.66550530       0.29431796      -0.40179017       0.02509460
Cl       6.89063393       4.18001320       9.13166676      -1.64773295       0.33757627      -1.20927876
Cl      10.16292687       2.50629622       0.72116019       0.53387890      -0.03424403      -0.02749194
Cl       6.87929704       5.67421287      11.75288234       0.26213485       0.20120645       0.83864845
Cl       6.64868930       8.58940617       9.71587632       0.08003513       0.16080478      -0.33516177
Cl       7.67255687       9.20693180       0.44292759       0.18194672       0.35889877       0.55910980
Cl       5.70097984      11.90932894       3.45157458       1.06383330      -0.77771899      -0.76575402
Cl      10.34811262       3.61473153       4.58368836       0.24384565       0.56742286       0.16714296
Cl       8.05847008      10.09866382       6.24069769      -0.58753972       0.00777452      -0.94003670
Cl       5.02404097      11.57553566       6.60989084      -0.40695481      -0.74747449       0.25440736
Cl       3.96463709       8.61234043       4.83633729       0.58257987      -0.08806560      -0.05679332
Cl       0.68137440       9.31676568       5.00858608      -0.48765429       0.62115742      -1.01226463
Cl      10.03407827       6.85746670       2.07893019       0.55861266      -0.55671571      -0.90634026
Cl       1.65849776      11.69359313       0.45828077      -0.10117365      -0.36914892      -0.16538884
Cl       8.43638296       6.83731085       6.05673990      -0.24592371      -0.10594797       0.26141632
Cl       1.26773475       3.70414909       1.60563362      -0.07597130      -0.19541631      -0.45470402
Cl       1.16905791       1.74879597       4.26672677       0.68687375      -1.24712973       0.80876451
Cl       2.71317587       4.64217134      10.41238807      -0.43853495       0.86940908      -0.30337105
Cl       0.62423598       6.83847679       7.35419367       0.30042292       0.18348140       0.47637847
Cl       9.76149676       7.38381347      10.45820697       0.19111547       0.17657800      -0.29522998
Cl       3.51093821       2.70260800       6.48811230      -0.26038045       1.17729129       0.00313656
Cl       1.04619405       7.43383718       1.13017634      -1.24464479      -0.85269190      -2.85387817
Cl       2.04721418       0.00567800       8.26766919       0.20896420       0.18917027       0.24602775
K       10.76481156       9.05194882       6.83386265       0.12618624      -0.46613767      -0.03474480
K        5.90834323      11.58884473      12.37731677      -0.10991990       0.21155092       0.18087001
K       11.69265046      11.20068647       2.53054526       0.66937264      -0.36651478      -0.11985538
K        8.41260526       8.45418213       3.45385684      -0.75828797       0.62402777       0.38000671
K        8.27836110       3.18275136      11.05871486       0.22504269      -1.06368678       0.86448025
K        8.65400412       3.85933053       7.17353523       0.85874419      -0.37560556      -1.42089750
K       11.15686455       5.37724588      11.87547952       0.55001458      -0.47817325       0.45819013
K        8.95490306      10.76894196       8.78043402       0.13658220      -0.04189568      -0.37689119
K       11.65604743       1.64785547      10.82821876       0.17206577      -0.47050762      -0.52756165
K       10.03158515      10.10931851      11.52891053      -0.15638045      -0.03101942       0.53192574
K        2.02088134       9.57495902       7.50544317       0.66777605       0.08245243      -0.50588122
K        0.76413122       3.96995823       6.67740364      -0.38498567      -0.37721423       0.13890808
K        4.12989025       4.23284013       0.58426414       0.31293596       0.18259056      -0.00414109
K        5.85983275       5.64144256       5.24259240      -0.26194854      -0.00971457      -0.12732110
K        5.50117025       1.57345868       8.13423127       0.16636482      -0.62899352       0.97763010
K        0.75533583       6.38352514       3.43406070      -0.52798998      -0.74906800       1.66456122
K        8.20768538       2.41567552       2.75852343       0.29611536       0.10449360       0.37716206
K        2.75689856       9.08706341       1.82846429       1.65337610       1.64891836       0.93776932
K        3.00029440      11.73425213       3.96886672      -0.34754182       0.07613252       0.68782189
Li       0.25568037       0.31432459       6.92981690      -0.52847638       0.27049590      -0.10722664
Li       2.37626928       7.17429185       8.87475099      -0.14626496      -1.81983033      -1.39100452
Li       2.26928823       6.75383462      11.50548013      -0.39978346      -0.74577451       0.83409372
Li       8.58052520       7.18092778       0.09148511      -0.19600535      -0.02284106       0.28382132
Li       5.82641745      10.18543940       4.95513897      -0.40658367       0.32734313       0.33084204
Li       1.97934168      11.05708999      10.17169622      -0.40394431       0.29215162       0.17814070
Li       4.81470541       2.49126306       4.55901760      -0.95565034      -0.28868054      -0.18244179
Li       7.93368986       0.23150327       4.89904989      -0.29165791      -0.37211066       0.45498493
Li      12.06261263       2.84688668       3.46118737      -0.84510724       0.34901855      -0.93785947
Li       4.29109984       4.53958116       8.52751221      -0.15113029      -1.20786071       0.54834529
Li       5.42857198       7.43774432      11.56445925       0.43068609       0.33373112      -0.11726948
Li       7.78587616       6.38563376       9.74276732      -0.37853845       0.11278747      -0.17372562
Li       6.50720144       8.47154717       7.37420068       0.05781664      -0.07890466       0.17167124
Li       2.14744767       1.38419215       0.26901548       0.72228756       0.98511881       0.16101150
66
Lattice="11.6733 0.0 0.0 0.0 11.6733 0.0 0.0 0.0 11.6733" Properties=species:S:1:pos:R:3:forces:R:3 energy=-571.83705856 stress="-0.030418830606618725 -0.0029494670117208594 0.00317238600539689 -0.0029494670117208594 -0.03156106655379302 0.003779885470414674 0.00317238600539689 0.003779885470414674 -0.0337488083136558" free_energy=-571.83705856 pbc="T T T" config_type=melt 
Cl       7.31886727       4.69247983       3.70713657      -0.32000704      -0.66964224       1.30932371
Cl       3.75357296       8.01104726       9.26482972       0.45455890       0.02780267       0.60188454
Cl       0.01040196       8.99050717       8.83937296       0.48517261      -0.40583756       2.96960235
Cl       5.02041784       2.25837498       2.43276241      -1.21072378       0.26516800       0.42996158
Cl       9.86682181       3.93266473       6.21328902       1.09863457       0.04605445       1.54623429
Cl       7.37794584       1.66079541       6.94798318      -0.67082347       1.36657167       0.30710781
Cl       9.11780451       1.20997256       4.24590606      -0.53625293       0.54759660      -2.20081086
Cl       7.34417498      11.05895757       1.90316814      -0.94762231      -0.83013538      -0.65096198
Cl       7.74176758       3.19170201      10.62673029      -0.30320289       0.44996235      -0.78763829
Cl       4.67581035       5.23492640       0.56275812      -0.55881957       0.32536777      -0.19868715
Cl       7.18699400      10.99774278       9.52123376       0.48736377      -0.07218144       0.72165517
Cl       6.48283719      10.04734939       6.25702888      -0.28801844      -0.27570376      -0.06465833
Cl       4.17136037       3.98114395       8.58447478       0.44547593       1.62500013      -0.12268374
Cl       6.80498525       5.92333593       6.94529832       0.24250179      -0.49935494       0.87567688
Cl       4.16669105       8.39514553       3.72323405       0.38875304      -0.64430777      -1.78076422
Cl       4.34563106       1.00365749       8.94996580      -1.25929880      -0.54316480      -0.14401960
Cl       2.39113543       9.52336997       5.60892726      -0.89427691       1.48229082       1.41391705
Cl      10.17596581       0.84692009      10.12770839       1.13204177       0.07881378       1.65339210
Cl       0.48228823       9.75699940       0.55173152       0.02115575      -2.06493527       0.18241549
Cl       1.84175491       1.63203240       4.07909461      -0.13626868       0.21964874       0.03267828
Cl       9.69848115      11.33200773       6.77266189       0.49340325      -1.23627468       0.58206648
Cl       0.69700340       1.65945298       7.66180547       0.20675409       0.61748231      -0.49708026
Cl       2.02555102       2.11998801      11.63515166      -0.39067264       0.76005173      -0.95241557
Cl      11.60404231      10.43638546       3.19853089      -1.10830369       0.70348096       1.93523228
Cl       1.01197238       6.41950954       1.03868556      -1.73295356      -1.67626743       0.22723410
Cl       9.83633115       3.86987405       1.67222357      -0.03706376       0.56500131      -0.90156630
Cl       1.81391409       5.18327205       5.47000332       0.74078769       0.27110052      -0.54263089
Cl       7.28802641       7.98150214       0.20462478       0.22589282       0.45738340      -0.45074072
Cl       9.83483696       6.56631296      10.62613495       0.04860215      -0.61574572      -2.49332109
Cl      11.27386302       7.66022958       6.08603838      -1.39395500      -0.20815198      -0.02469310
Cl       1.15099322       6.15391862       8.94942883      -0.08562415      -3.82198659       3.56707033
Cl       3.35379746      11.22901420       1.24873959       1.97768905      -0.21060011      -1.07659960
Cl       9.25810590       7.59630659       3.09680976       0.58489596      -0.89417885      -0.98752327
K        8.54528751      10.02323235       4.04351439       0.68594570       0.56016857       1.33297809
K       10.73182501       5.03265146       3.87829050       0.37362544       1.10139954       0.11743149
K        5.40786634       9.79938515      11.49471018      -0.62763831      -0.05900335      -0.38303316
K       10.56949610       3.85669489       9.28616852       0.13575697      -0.02155985       0.37080091
K        4.66258451      11.51981945       4.07219569      -0.08912713      -0.56534111       0.20036670
K        9.42290955       9.98363652       0.28377442      -0.30289182       0.20765593      -0.42161032
K       10.84957359       1.47489811       1.40534859       0.86676081      -1.24201134       0.07720933
K        2.57047233       3.98548641       2.02011126      -0.15337652      -0.23660342       0.57009509
K        4.11187323       7.09589556       6.32722043      -0.17580979       0.26392115       0.68716194
K        1.19708524      11.21481130      10.32120501       1.15590386       1.44185962      -1.98874014
K        1.10453582       7.75705960       3.81374882       0.14784808       0.16414089      -0.60837147
K        2.93714236       7.98317142       0.72497030       2.14084552       1.43744604      -0.06763782
K        6.27648827       5.86786440      10.01501435      -0.25607402       0.39901463      -0.51080835
K        7.43864700       1.95764743       1.61249130       1.93053933       1.65391485       0.24794272
K        4.86951709       3.50075263       4.97994651      -0.19048900       0.12849918       0.67527690
K        8.37875621       8.61359966       8.49838419       0.13480815      -0.34561794      -0.40715538
K        5.52783285       1.01559344      11.40875968      -0.36334486       0.73179426       0.05946829
K        7.62802294       5.61255766       1.26605110      -0.37220454      -0.98299851      -0.35964427
K        6.64570308       7.52163249       4.58775865       0.64477410      -0.10609624      -0.28927947
Li       7.12944463       3.65196856       8.38272514      -0.43562495      -0.45692172      -0.50345567
Li       0.52243854       3.73065827       6.29292428       0.03566238      -0.79951645       0.54977228
Li       5.90463530       0.06163502       7.91146234       0.33049513      -0.41840345      -0.82073775
Li       2.64227480       2.68035311       9.19865379      -0.38826071      -1.24617185       0.14360761
Li       1.25420270       7.19435985       7.45479117       0.07427679       2.61334175      -2.95841724
Li       2.86323870       5.22396518      10.43768119       0.40930534       0.17701420      -0.31260224
Li       0.36932687       7.49102510      10.70573518      -0.24309425       0.23922191      -0.36822242
Li      11.11397383       9.72882005       7.20923163      -0.27560539       0.57920819      -2.62726400
Li       9.82087570       7.00496056       0.81675512       0.35555591       0.53294258       2.72206416
Li       1.79847031      10.91764060       2.33955111      -1.44681039      -0.09452132       0.99327329
Li       8.83408495       0.81494809       8.65793486      -1.20819905      -0.38544090      -1.14352239
Li      10.34152822       1.45777338       5.82652925       0.65752198       0.67729979       1.09902329
Li       8.35491934       3.14479869       5.06865192      -1.17780616      -0.41161047      -0.47657752
Li       0.93487141       0.03326891       5.39588954       0.46693587      -0.67733384      -0.07804997
66
Lattice="12.39 0.0 0.0 0.0 12.39 0.0 0.0 0.0 12.39" Properties=species:S:1:pos:R:3:forces:R:3 energy=-571.76907048 stress="-0.004361870114239031 -0.002183719949834884 0.0023830685521384937 -0.002183719949834884 -0.011534266334989078 0.00021731906799772474 0.0023830685521384937 0.00021731906799772474 -0.0131340829948528" free_energy=-571.76907048 pbc="T T T" config_type=melt 
Cl       4.56044925       2.86207761       2.42494602       0.72160214      -0.10938421       1.13745081
Cl       7.23746982       2.36729535       5.82623643      -0.36477662       0.33161026       1.66551924
Cl      11.82224064       3.82641609       8.99577189       0.05461431      -0.36059199       0.16434996
Cl      10.45880787       0.02128503       6.18766512       0.26785715       0.49397179       0.33231463
Cl       6.90461247       3.90899544       8.84365986       0.26166872       0.19516442      -0.27920792
Cl       7.94071383       0.07186881      10.89113214      -0.30616727       0.89705909      -0.01125139
Cl       5.46955311       8.05622580       0.82731499       0.34310549      -0.73872963      -0.75189462
Cl      10.94549946       4.03059090       3.65118432      -0.43502142      -2.51297056       0.72830927
Cl       4.46737557      11.10775890       6.82146318       1.00509776       0.53497731       0.04690529
Cl       9.88703415       0.16375120       2.14401516      -0.31581437       1.48845506       0.88007449
Cl       4.39816503       6.86785134       7.92328110       0.60354578       1.16103440      -0.04186684
Cl      11.08678263       2.67014412       0.17284917      -0.37793360       1.18597335       1.84225778
Cl       6.71635881       9.20367609       9.58065423      -0.31685468       0.11892510      -0.06327589
Cl       7.15983408       4.79469459      11.98262919      -0.26770716       0.88352138       0.23584686
Cl       8.40494235       9.88752975       1.55048460      -0.23412811      -0.48968482      -0.67156487
Cl       5.73193614      11.11441233       3.04128657       0.02992429       0.77376439      -0.31389881
Cl       4.98821400       8.19193347       4.55943327      -0.05779105      -0.67054095       0.48333395
Cl      11.69250495       9.97968657       9.32353695       0.13460220       0.87039573       0.29481527
Cl       3.24112488       9.92979204      11.22486918      -0.47076635      -0.33256117      -0.60764250
Cl       7.84222572       9.86673933       6.08497680      -0.57320066       0.78002528       0.80648608
Cl       9.58084008       6.55750662       5.97162069      -0.54585392      -1.01647817       0.03653069
Cl       1.07631930       0.15641756       1.12436400      -0.12873173      -0.52730070      -0.28562409
Cl       1.12505784       1.14290564       4.73967060       0.06033192       0.39446437       0.32333512
Cl       3.48481140       3.51894585       7.04988522      -0.52609032      -0.21396059       0.28263392
Cl       3.57195027       1.75667898      11.84295672       0.16932146      -0.10625977      -0.37584798
Cl       1.91502318       0.41193281       9.06530457      -0.52293976       0.13381374      -0.73320630
Cl       9.89231229       6.46627905       1.89575673      -0.53958692       0.33283283      -0.60743342
Cl       1.65635715       4.04061441       2.00617641      -0.54984323       1.09862456       1.22958235
Cl       1.10157012       7.78927086       0.30540111       0.16831173      -0.37222789      -0.06545608
Cl       2.45326956       5.09370246      10.23794373       0.36915244       0.14122807       0.55953221
Cl       9.44659443       7.14112518      10.79217321       0.83723014       0.64515558       0.00735967
Cl       0.90526048       9.41820894       4.17410427      -0.35130104      -0.07287471       0.11861190
Cl       0.98344758       6.75983532       6.79429191       0.18021067      -0.03576154       0.14157805
K       11.29478595      10.31295279       1.28996007       0.68929179      -0.50233380       0.46044149
K        9.90331461       3.77612508       7.01799336      -1.40950755       0.01169405      -0.48633145
K       12.10620705       5.21761485      11.67208623      -0.27231121       0.56904093       0.25157447
K        8.65118121       8.43812277       3.92036946      -0.27723888      -0.49678397      -0.79964072
K        5.53432803      11.24432148      12.21992247       0.43896338       0.23587273       0.63668820
K        8.89491729      11.48377062       8.44923660      -0.17188603      -0.41188991      -0.35246649
K       11.69359527       6.44872242       3.94474059       1.31398921       1.75981016       0.21029128
K       10.64833770       8.82184107       6.90730110       0.59052223       0.42540212       0.12733435
K       11.73776562       1.34046171      10.58770104       0.21577027      -1.03664648      -1.60081391
K        5.12393406       5.04924714       5.47470735       0.65718526       0.61132747      -0.95674236
K        9.29235132      10.00321518      11.27119539      -0.07546433      -0.55191573      -0.07774335
K        7.42556241       2.33829036       3.28190037       0.20560284       0.15407284      -1.37188285
K        0.32371229       3.98555325       6.23345856       0.67195211      -0.02535956      -0.26500680
K        3.95364900       5.07033492       0.59676187       0.51285387      -0.17174896      -0.26846501
K        7.55524854       2.29708122       0.51170700       0.44055956      -0.87199011      -0.74676690
K        5.35495800       1.17378771       9.00459357      -0.35059060       0.16766707       0.07112955
K        3.21805470       8.78877216       2.21362218      -0.56134817      -0.08107076       0.00295108
K        3.03977499      11.29490985       3.86897574      -0.70207275       0.93095853      -0.02511491
K        2.06481828      10.24023588       7.43707272      -1.19221122      -1.18040492       0.37775636
Li       2.52463596       2.72803020       3.80940462       0.44893325      -0.01021898      -0.52326488
Li       0.29741947       0.45393615       7.33834920      -0.16526503       0.12177818      -0.38690223
Li       2.68841937       5.59375047       8.13347745      -1.32651201       0.04378343      -0.61811481
Li       2.62835265       7.18377156      11.01015048      -0.85759712       0.61554864       0.16966955
Li       8.45790960       5.47659063      10.19723019      -1.01810545      -1.14808841      -0.39827107
Li       5.29925256      10.30678257       5.00184300       1.13134854      -0.22018921      -0.13011668
Li       8.23901547       0.61205733       5.30174295       0.93326774      -1.43493695       0.05612146
Li      11.91576036       2.02502160       3.03717309      -0.66584126      -0.32798824      -0.31830696
Li       8.26863996       6.76544799       0.35759027      -0.07842676       0.12440990       0.24409190
Li       5.84173632       8.84627415       7.18996656       0.17593359       0.04264364       0.22486031
Li       5.01601716       8.46292755      11.06076363       0.68932487       0.31294034      -0.26607337
Li       4.94746329       4.85912259       8.27573943       0.57792302      -0.90730484       0.87603750
Li       1.46286252      11.87486097      11.02683981       0.94119543      -0.52034492       0.71405014
Li       1.35733689       2.36827416       0.91731224       0.16769342      -1.12940429      -1.33962971
66
Lattice="11.9848 0.0 0.0 0.0 11.9848 0.0 0.0 0.0 11.9848" Properties=species:S:1:pos:R:3:forces:R:3 energy=-570.15288838 stress="-0.021260890065285868 -0.006913907902656122 -0.0004887237023899532 -0.006913907902656122 -0.014789649550726985 -0.0017690286658812793 -0.0004887237023899532 -0.0017690286658812793 -0.0221508341148302" free_energy=-570.15288838 pbc="T T T" config_type=melt 
Cl       2.37368552       3.05963555       2.64509330      -0.58657975      -0.53139477       0.03386041
Cl       5.14302524       2.17453410      10.70990492       1.45251764       1.01005684      -0.31350779
Cl       5.86705098       7.04473735       1.01270002      -0.48704165      -0.73743698       0.31761279
Cl       5.46832867       3.92896500       2.58681122       0.24100065      -0.69066685      -0.60191606
Cl       9.76070876       9.13410746       9.18408407       0.19109325       0.61054057       0.82119715
Cl       6.03190190       7.21652747       4.93762974      -0.64694905      -0.63789271       0.31284199
Cl       8.08878122       9.33644684       0.42276622       1.24077406       0.41734149      -0.14853536
Cl       7.73320418       6.13371278      10.00573799      -0.46150915      -0.26654261       0.39301257
Cl       5.05908370       9.93680142       0.13383067      -0.94149466       0.80224570       0.58926371
Cl       7.73463038       9.50775757       3.89305854      -0.02202477      -0.44525872       0.77064256
Cl       7.87776484      11.69151996       7.82953801      -0.71723568      -0.48646201      -0.28210068
Cl       4.16130233      10.34587860       9.14995136       0.66781621       0.52224785      -0.83018608
Cl      11.25191750       3.93377090       2.00413421      -1.24682859      -1.51026863       0.14375876
Cl      10.65286925       0.15388723       2.33461507       0.84449155      -0.76425109       0.97910886
Cl       9.10280316       1.35673928       5.47778467      -0.46427021      -0.04426022      -0.09257483
Cl       9.32936382       4.74689164       6.77209513      -2.30926752      -0.45381863      -1.91348381
Cl      11.42856146       6.33180954       7.95109983       1.09065079       0.47033015       0.65206611
Cl      10.43701102       0.82032361      11.01585289       0.16945831      -0.39559035      -0.38896001
Cl       8.06415245       2.91141952       9.27154914       0.32496015      -0.31868952       0.46325945
Cl       9.43348776       6.41201182       2.37213948      -0.69049920      -0.17832237      -0.35816987
Cl      10.54990784       9.13052400       6.14125122      -0.50589113      -0.27847785      -2.23828573
Cl       7.47048538       0.68784962       2.11204535      -0.58431249       0.09618216      -0.14511463
Cl       5.79570546       2.95746513       6.76145263      -0.46971606       0.05163580      -0.74867922
Cl       1.34373578       9.03715042       8.69416942      -0.61385529      -0.66139532      -0.11512374
Cl      11.96649154       3.41937130      10.70064066       0.13850127       1.32485245      -0.97449290
Cl       1.52976384       6.25232634       0.36169527      -0.16196143       0.51040812      -0.75332591
Cl       1.66911111       6.73025620       3.67074050      -1.61922895      -1.81105326       0.66088073
Cl       2.58871680       1.02145252      10.69962196      -1.59643933      -1.32537024       0.13547167
Cl       3.93232074       6.54847075       7.79837753       1.03940435      -0.16523183      -0.43615807
Cl       0.37793587       0.47882392       8.00989726       0.13995320      -0.94169304      -0.37236095
Cl       2.10850983      10.38575203       3.05485361      -0.95663800      -0.50070572      -0.49770768
Cl       3.39437101       0.14015385       5.32173059       0.70111422       0.13538593       1.52270134
Cl       1.34471853       3.62438329       6.50247309       1.45482834      -0.77014377       1.31141236
K        3.46889250       1.79541892       8.05757280      -0.59612414      -0.16749207      -0.20391633
K       10.35471140       6.94848742      11.27588710       0.05634289       0.17291925      -0.06891662
K        9.21435768       3.59980247      11.90941561       0.29920557      -0.48135807      -0.19761995
K        2.90669751       3.69780218      11.90422619       0.39514883      -0.11602600       0.20143155
K        0.24357308       0.81328613       4.55309743       0.60737300       0.15182198       0.64780581
K        0.58972886       1.41431426       0.61243287       0.39769865       0.35506691       1.09208052
K        6.77564263       9.32853687       9.63411331       0.58105056      -0.16315866       1.20548094
K        3.20592202       7.84284114       2.09711229       2.00303051       1.47500463      -1.39619491
K        0.58852439      10.21018669      11.12720367      -0.35100576       0.61437910       0.24139060
K        3.65828829       4.36455256       4.75730644       0.07379976       0.28437832       0.72223447
K        1.54318682       7.71166750       6.04687092      -0.12957068       0.71151219       1.61419695
K       10.83588913       8.93506390       3.04769869      -0.13479743       0.15895805      -0.09580268
K        2.00068259       5.27021992       9.20802970      -1.48758114      -0.74003666      -0.06025640
K        3.43032541       7.69516443      10.33817237       0.50038732       0.54597105       0.73919970
K       11.63726477       4.67530643       4.94217198      -1.51565217       0.84654144      -0.93063947
K        8.06278618       3.39898516       3.57244117       0.73754282      -0.08444530       0.12514447
K        4.27878933       0.16857460       2.69638824       0.38035353       0.62529469      -0.84529691
K        5.76236375      10.27441324       6.50623632      -0.97000032      -0.74960315      -0.65191324
K        8.06328955       7.57820477       7.41716501       0.58505244      -0.71038622      -0.80812541
Li      11.22841530      10.21016272       7.68929188       0.56561490       0.87526384       1.49255139
Li       9.42260556       0.24425022       0.73146590      -1.73543194      -0.77566631       0.36951209
Li       8.76307003      10.66786224       5.13868674       1.46635448       1.15082789       0.97720248
Li       5.99496475       5.85083554       3.11899626       0.42957430       1.55712939      -0.09293834
Li       7.89921763       2.84615030       7.14393554       1.57989370       0.40207625      -0.15225115
Li       4.49507901      11.92257492      10.89664008       0.28052664      -0.10779989       0.22507533
Li       6.74044328      10.05124428       2.22216169      -0.04404140       0.30854335      -2.05253206
Li       6.00152043       4.32032864       8.59173533       0.55020215       0.04942715       0.62345906
Li       7.29959412       5.56112697       0.34336092      -0.36183802       0.82467514      -0.04905534
Li       6.82062159       0.97830484       6.14283321       0.32054995       0.12663639      -0.17406906
Li       2.29447798      10.85814491       8.18972919      -0.58543967       0.93546308      -0.39599416
Li       0.80357964       5.17091387       2.33658058       1.21853951       0.43194011      -0.45844811
Li      10.63292654       4.30854758       8.24032901       0.92625852      -0.63049316       1.28420345
Li       8.99238720       0.34132710       9.66701159      -0.65783839       0.08633468      -0.82340582
66
Lattice="12.3508 0.0 0.0 0.0 12.3508 0.0 0.0 0.0 12.3508" Properties=species:S:1:pos:R:3:forces:R:3 energy=-569.48766901 stress="-0.017137247881129487 0.0025635822459755624 -0.0013239041579204151 0.0025635822459755624 -0.016104786941102768 0.002210294816455232 -0.0013239041579204151 0.002210294816455232 -0.010343400948969834" free_energy=-569.48766901 pbc="T T T" config_type=melt 
Cl       4.28449252       4.49905062       4.50018689       0.81367711      -0.37163183       1.52713434
Cl       6.59089326       3.84254384       8.68967706       0.01285611       0.48483508      -0.90635813
Cl       4.93537968       7.86682971       0.86706074       0.20233363       0.40038700      -0.49594938
Cl       7.99554975       4.22750593       1.67822670       0.13891044       0.23945539      -0.37221464
Cl       7.06258267       6.82589193       3.99366823      -2.66944199       1.62601684      -0.08677781
Cl       8.58728893       9.57734140       6.24177320       3.69348154       0.18021824       0.46453275
Cl       6.76978225       5.73315490      11.07601218       1.60338254      -0.54351155       1.27886712
Cl       4.15259833      11.16084982       5.40846472       0.55100149      -0.25641790       1.02730534
Cl       5.65481378       8.43422546       7.41399998       0.44600205       0.21157240       0.03645184
Cl       7.60511626       0.39563688       6.04127031      -0.08887864       0.12085859       0.21656020
Cl       7.36690638       8.96765651      11.02817753      -0.69089162       1.24955543      -1.27511712
Cl       8.79496763       0.29802357       2.00490536       0.01455212      -0.64414329       0.40118090
Cl      10.53289810       2.32703893       4.45648976      -0.33564332       0.25789933       0.69009604
Cl       8.53567493       2.08709994      10.34942696       0.97678081      -1.08377368      -0.29151338
Cl      11.74106571       4.62066895       0.75400522      -1.03169250      -2.59434165      -0.04549480
Cl       9.80216302       8.17950256       0.55840437      -0.77287527      -0.93889555       0.53360637
Cl       9.98917883       5.24545886       5.84774563      -0.23177983       0.15892101       0.89821950
Cl      10.89029320       6.41118912      10.04367056       0.13000954      -1.22890334       0.59835017
Cl      11.22582738      11.66933226       5.25856306       0.39341024      -1.20983000      -0.18944210
Cl       4.83683265      11.50074384      11.27652742      -0.09993343      -0.39134406      -0.96661285
Cl       4.41238505       0.15784693       2.29612488      -0.28334897       0.65271713      -0.18452787
Cl      11.04633321      10.22383168       9.72919449       0.84848721       0.88667595       0.13224640
Cl       1.18548042      12.04825480       8.79053369       0.82952167       0.37160821       0.04409657
Cl       0.23303366       6.88008724       3.69529761       0.29789909       1.01811131      -0.36437099
Cl       3.51320976       2.39006506      11.93912313       1.29322245      -0.69691342      -1.48105742
Cl       0.70989558       6.80718047       7.22276019       0.71259105      -0.16952670       0.28213608
Cl       0.22709539       3.03553022       8.01659551      -0.25530251      -0.19899381      -0.92834277
Cl       3.79205377       7.73531839       9.66883613      -2.26387981       1.48954426       0.28642788
Cl       1.62501946       9.86947488       0.64624449       0.41063911      -0.46939771      -0.34871808
Cl       3.59712110       3.55706745       8.83762729      -1.21423401      -0.44068530      -0.85571565
Cl       1.53576023       1.13646504       3.94805673      -0.06408634       0.97655766       0.39601010
Cl       0.81152166       0.55228578       0.59079434      -0.12057027       0.64099963      -0.39729320
Cl       2.54406719       4.61201103       1.89499559      -0.24580141      -0.09533653      -0.17667018
K        0.14990907       6.97763386       0.46784089       0.77510591       1.98415667      -0.10294909
K       10.83562856      10.70322798       0.21795827       0.30700998       0.85226393       0.33463409
K       11.44496763       2.60478372      10.56131729       0.11154458      -0.18860270       1.06957238
K        8.34479332      11.03839164       9.20826245      -0.41139199       1.01186958      -0.28837320
K        8.87570481       2.76641864       7.43882509       0.61792789      -0.15214510      -0.28447166
K       11.55193791       9.15743891       6.59953882      -0.02777113      -0.20401179      -0.15823110
K        9.46865436       8.35871267       8.89909722      -1.41930813      -1.40973493      -0.63069129
K        9.36840292       6.55442135       3.15662981       2.69079583      -0.54403504      -0.73453919
K        3.50810888       6.72044080       3.09882807       0.20229256       1.39332477       0.40586412
K        0.51387850       4.28719735       4.75777518      -0.19555425       0.01597562       0.22350517
K        7.07730482       2.34868988       3.82603082       0.16397847      -0.13628703      -0.42237091
K        2.81107913       9.76706204       7.93616710       0.12590391       0.08933964      -0.65531423
K        2.12386827      10.33330917       3.81670597      -0.69482925       0.29951254      -0.85263573
K        6.30986316      10.54020977       2.02956991       0.40505976      -0.18938840      -0.09519722
K        5.29063809       1.22653325       8.81505003       0.29615374      -0.14560931      -0.08311510
K        4.11533596       6.16932341       7.25098177      -0.94277938      -1.01459877      -0.42348690
K        6.90865465       5.30828738       6.12162462       0.33011743      -0.30391840       0.69722751
K        6.43222254       2.90094355      11.87572648      -0.23207568      -0.04883100       0.61911538
K        3.65629378       5.32591198      11.03054888      -0.98930932      -1.30600825       1.37005770
Li       9.19163827      11.67533475       4.45804596      -0.42834206       0.48046223       0.00491574
Li       7.31730556       7.74505082       0.30647028      -0.06164122      -0.99743062       0.85351758
Li       9.01263813       5.47988940      11.86835305       0.45883680      -0.19348132       0.31268176
Li       3.32699675      12.28068451       0.20473674      -0.15350768       1.23397350       1.81792533
Li       3.32247636       2.89751003       3.51663093      -0.44940077      -0.87950987      -0.40432501
Li       4.87006865       9.24894598      11.15725574       0.36490234      -0.25486434       0.41459502
Li       2.16828175       1.66214596       7.84305442      -0.23103028       0.46469218       0.47818528
Li       5.31651302       6.73008678      10.26411999       1.76542556       0.61348950      -0.42737265
Li      11.95265961       1.06438083       6.12188398       0.21274414       0.96276007      -0.21610996
Li       6.77869953       9.45541431       5.90512744      -3.44825664      -0.08773925      -0.89542328
Li      11.56829036       1.73838745       2.70545509       0.41211124      -0.40832516      -0.62308941
Li       2.09835152      11.12099379      11.13223302      -0.98028743      -0.05665813      -0.41191274
Li      11.57428050       5.18523636       8.31428684       0.32265423       0.46980932      -0.79854597
Li       2.21530124       2.84243781       0.97848842      -1.89747741      -0.98273728       0.45931234
66
Lattice="12.3233 0.0 0.0 0.0 12.3233 0.0 0.0 0.0 12.3233" Properties=species:S:1:pos:R:3:forces:R:3 energy=-572.76658803 stress="-0.012664838218565523 -0.0006353170972447135 0.0004071704714267168 -0.0006353170972447135 -0.008636686592699531 -0.0003400459555626041 0.0004071704714267168 -0.0003400459555626041 -0.010855025466116202" free_energy=-572.76658803 pbc="T T T" config_type=melt 
Cl       5.71438815       2.91092366       9.39691060      -0.39639055       0.15698943      -0.56621442
Cl       6.96480875       1.62435882       5.40135168      -0.47403422      -0.70850176       2.21517042
Cl       5.70763498       0.26452210      11.70331478      -0.30530134      -1.02599439      -0.19689811
Cl       6.34610515       4.92911050       2.64105572       0.55178125      -1.10890783      -1.30939679
Cl       5.29354745       6.94114802       0.58399379      -0.98499202       0.15989382      -1.41249111
Cl      11.49758961       9.93508143       9.64483074       0.75715312       1.04461904       0.76204415
Cl       6.78620717       7.65965802       3.79747419       0.77399395       0.91072569      -0.01851614
Cl       6.38589709       6.98170400       7.59873163       0.36300486       0.41984611      -0.07252892
Cl       7.86290621       5.52531176      10.59203655      -0.18569476       1.45560910       1.48228487
Cl       7.74870619      11.68800924       2.17161193       0.10378218       0.55417703       0.98073145
Cl      11.52786795       5.98498317       9.90163599       0.61712538       0.48108677       0.10402593
Cl       5.44312767      10.07326259       5.38111682      -0.64487635       0.94415133       0.32593240
Cl       7.43771539       9.67266908      11.11769924      -0.36434203      -0.49252813      -0.28637282
Cl      10.65680782       6.16082434       5.66134867      -0.69288574       0.09462380       0.07563071
Cl      11.43963313       3.62635284       1.12977673       0.27086604      -1.01269783      -0.70365391
Cl      10.15818245       2.99958981       4.00869555      -0.70397784       0.64489302       0.02493179
Cl      11.10047126       2.87339921       7.84636834      -0.19100563      -0.33285801      -0.78248020
Cl       9.24201904       2.53157552      11.14288806      -0.38984828      -0.28069949       0.04793518
Cl       4.70361876       1.93403103       2.40939000      -0.30218726      -0.73953853      -0.13521050
Cl       1.36653074      11.98574017       8.44648841       0.54989402       0.47626388      -0.23471301
Cl       9.77667773       7.44266936       0.71040004       0.06260732      -0.04858645      -0.12911202
Cl       1.52101563       8.18707062       3.36608475      -2.08930088       1.75030349       0.31475113
Cl       3.95115806       4.89010726       5.16011076       0.19875820      -0.57595162      -0.06756930
Cl       1.44198630       6.68506984       7.07722190      -0.12811390       0.30647447       1.18449663
Cl       1.76469656       4.67221899       2.15138939       0.80717381      -0.01879310       0.03405568
Cl      11.31329466       0.17067770       4.32669831      -0.27809942      -1.67558082      -0.49834366
Cl       3.81393812       7.62250328      10.15980913       0.07693394       0.62284519      -0.21718650
Cl       2.32963360       1.40924329      11.71107846       0.21358005       1.62209130       0.57391553
Cl       3.11887935      10.18604543       0.23221657      -0.25021958       0.26136356       0.34499701
Cl       1.75971795       3.38724385       8.96548419       0.59030412       0.38174719       0.16656473
Cl      12.05524728      11.92446872       0.76449317       1.05578837       1.11187345       0.14112239
Cl       8.93307391       9.94951201       6.82476677      -0.39297120       0.39850006      -0.35115688
Cl       1.67200070       1.87236523       5.09134675       0.17741708       0.02795720       0.02157970
K        3.70601066       7.08142414       2.83667578       2.07685839      -1.50543339       0.41576896
K        9.44633935       5.10954826       2.37092898      -0.09021441       0.53296902       0.35604230
K        8.30054356       4.05987422       8.37730540       0.13224363      -0.64216161      -0.35451416
K       10.82555076       9.14406113       4.80723307       0.48279721      -0.27017081       0.10372535
K        0.99371025       7.71861269       0.21453510      -0.12308869       0.17956044      -0.20470564
K        9.58614719       8.20420001       9.61402250      -1.01306621      -1.42987959      -0.34702298
K        3.29977307       8.72828531       7.31085934       0.27083946       0.25903475       0.13997615
K        1.03513995       5.62850707       4.70538099      -0.26653336      -0.79621409      -0.55979511
K        7.41247727       5.19769683       5.12346127       0.00649445       0.03808135       1.09402585
K        3.97698770       5.26091536       8.15273790      -0.00725493      -0.21312396       0.04159737
K        2.76431336       4.66062277      11.90398739       0.25747557      -0.30340480      -1.00543668
K        6.17853292       2.92875548       0.01626676       0.63734916       0.65032667      -0.56020960
K        4.06278251       1.53964846       6.92000124       0.36424955       0.17982735       0.68033743
K       11.31384920       0.73434298      10.40918343       0.69658590       0.54974510      -0.42247465
K        7.58834309       2.27707473       3.06019580       0.12202507      -0.04669788      -2.04681878
K        3.13816531      10.89012486       4.00784524      -0.56601462       0.26978001      -0.34652033
K        9.99085669      10.37734002       1.31853148      -0.56632595      -0.90642373      -0.14872797
K        6.17097874       9.45494102       1.40915703      -0.18819613       0.77124491       0.41125296
K        8.96188578      11.44855520       9.34742022      -0.54329667       0.55622013      -0.10171348
Li      10.38145600       5.45165539      11.52640148      -0.91311635      -0.79114848       0.57383755
Li      11.91390765       5.30314731       7.87812549       0.37497343      -0.25305850      -0.55538461
Li       0.94176137       1.76276180       1.25706286       0.03704236       0.59254118      -0.47559408
Li      10.98567972       1.50853212       2.38950019      -0.45075015       0.16709635       0.12702098
Li       4.48375877      10.01971785      10.72707527       0.14664322       0.05919089       0.24345099
Li       7.12179527       8.84650272       5.89212711       0.05472694      -0.90623261       0.16602220
Li       8.07627183      11.90867025       5.15345618      -0.18123995      -0.04220479      -0.09347712
Li       6.37807179       7.63117888      10.49203297      -0.26130534      -0.66517954      -0.24205452
Li       1.60572599      11.86340677      11.58384038      -0.32109506      -1.71179124      -0.33893892
Li       3.99144293       0.69099085       0.72621207       0.32646188      -0.43396979      -0.43709598
Li       0.91044047       1.94138804       7.57359210      -0.10278339      -0.38678820       0.22089408
Li       3.44215648       2.76805965       3.86636144      -0.50670901       1.31566422       0.51432452
Li      11.54049934       2.09871961       5.22734669       0.60384367       0.03819890       1.16694580
Li       7.29174590       6.64140839       0.81079057       1.11445766      -0.66099525       0.16693671
66
Lattice="12.0586 0.0 0.0 0.0 12.0586 0.0 0.0 0.0 12.0586" Properties=species:S:1:pos:R:3:forces:R:3 energy=-573.2057996 stress="-0.01415933251396 0.004258203191476753 -0.0024973397989056464 0.004258203191476753 -0.0163110962366628 0.004211377380248438 -0.0024973397989056464 0.004211377380248438 -0.012705636398461171" free_energy=-573.2057996 pbc="T T T" config_type=melt 
Cl       6.08955682       5.92477606       8.27333311      -0.42913136      -1.74090879      -1.03605491
Cl       6.02960147       3.28898315       2.07166748       0.84919613       0.73806308       0.29105885
Cl       7.42211653       2.07469419      10.34721937       0.71682523       0.77065649      -0.32270834
Cl       7.43205282       7.74084945       0.02483191       0.28381659      -0.40123619      -0.51552702
Cl       7.79841721       7.11048613       3.72323745      -0.12991654       0.07296411       0.67272339
Cl       4.08814275       4.12386032       5.01847580       0.60946279      -0.31348029      -0.38294756
Cl       9.61783083      10.67128219      10.88668496       0.07306362       1.21507760      -0.36261204
Cl       8.46689776       4.17044269       6.84641485       0.08663660       0.64774503      -0.07932318
Cl      11.87708189       5.60283555       7.41637664       0.15372657      -0.42460101       0.18641154
Cl       4.63649552       9.50633702       3.43471133      -0.10203890      -1.00894496       0.41287677
Cl       5.35217343      11.96355411       5.66262209      -0.63144637       0.28774140      -0.35373282
Cl       7.64275274      11.45020745       7.80726822       0.41983972      -1.08466955      -0.01164306
Cl       4.06533994       9.87024145       9.23281179      -0.80052556       0.95539192       0.08047082
Cl       6.18071984      11.50849873      11.58070562      -0.86863473      -0.29239990       0.39761093
Cl       8.05741182       0.34896503       2.46558577       0.57665098       0.22809029      -0.07272887
Cl      10.84270724       2.51800450       4.63252824       0.51561636      -0.59176132       0.79369981
Cl      11.52282434       6.80445093       2.72224101       0.30975891      -0.24613750       0.38019412
Cl      10.78729798       1.51065317       8.67372686      -0.56529186       0.03344955      -0.09497460
Cl      11.65299693      11.39632963       1.93775673      -0.19953489       1.52380058      -0.49118683
Cl      12.01520134       8.47402439      11.53659526      -0.40635791      -0.04643311      -0.22084293
Cl       9.44487433       4.25443084       0.09347055       0.18577591      -0.26971527       0.20365719
Cl       3.80290862       6.92044260       0.84153231       0.53231068       0.23057011      -1.40955536
Cl       3.55374177       1.84556873       1.00477923       0.12709128      -1.13771312      -0.14093414
Cl       1.44320942       3.53436360       2.02907650      -0.55017923       0.93821693       0.68401371
Cl       0.55918019      10.42374325       7.78717859      -0.26425486      -0.30918228       0.91456920
Cl       2.41471053      10.41082849       0.99374320       1.13732986      -1.11362855      -0.10132532
Cl       9.38317048       8.47457908       8.59943383      -0.04381493      -0.47881301      -0.64082458
Cl       2.52943605       7.03467372       9.83370389       0.25230108      -0.37520602      -0.22672976
Cl       2.84151262       3.47732642       9.90890132      -0.06074837       0.31635124       1.10577213
Cl       1.15952965       0.42412990      10.78079839       0.44388773       0.60946102       0.06408590
Cl      10.74373026      11.08278191       5.17198177      -0.54747795      -0.13943581      -0.21493113
Cl       1.74067097       1.78700011       7.14994187       1.00887727       0.65716107      -1.88715181
Cl       2.45780797       7.69888552       5.75714946      -0.96676417      -0.48133674      -0.19293523
K        4.76491961       8.81159284       6.48969735       1.02498666       0.08319008      -0.04732627
K        2.66353974      10.87065908       5.94304483      -0.23011776       0.19606893       0.23088218
K        9.70527980       4.00551722       2.73298522      -0.62676862       1.21353812       0.30848361
K        9.69421001       6.80304007       6.09271618       0.02097765       0.54292720      -0.41658993
K        6.29745915       8.30885774       9.12766080       1.21361674       1.92586503       1.30131725
K        2.15344891       1.67989562       3.98430614      -0.04012155      -0.88198661       0.36695572
K        3.05853125       6.25852193       3.21008373      -0.39026726       0.75695238       1.05550953
K        5.26407330      11.92436366       2.40155460      -0.14447821       0.60404601      -0.25944438
K        6.01889343       4.88960554      11.08383101      -0.60564589       0.10514473       0.64692370
K        1.19507599       4.40206428       4.81765187      -1.32118508       0.64307166       0.43768637
K        2.70303166       4.67363601       7.50266798      -0.08548278       0.83493130       0.36716303
K        0.94649398       5.43788596      12.01122176      -0.03491315       0.31558223      -0.43967615
K        4.87613608       1.81838865       9.30043642      -0.45695151      -1.15847653      -0.20743659
K       10.12288118       1.61949410      11.86054955       0.40904373      -0.93283252      -0.18897948
K        8.94838560       5.92336520      10.25257142       0.28897915       1.21820171      -1.39851569
K        9.43546862       9.53085215       1.69148394      -0.18529321      -0.65300261      -0.42151497
K        0.69991370       9.44676753       3.56217073       0.22689457      -0.77941477       0.18536398
K        7.75477713      10.31955694       4.75643036      -0.01397891      -0.17135115       0.16370263
K        7.09347145       1.83153252       6.81937947      -0.29797139      -0.08497932      -0.40910537
Li      10.22429400      10.67802294       8.11611308       0.23607379      -0.68134102      -0.40774621
Li       1.75992855       0.31413859       0.79098025      -0.25553807       0.96161219       0.26277068
Li      10.31988252       3.18028693       7.07533532       1.23441674      -0.37058695      -0.05728631
Li      10.09877604       0.52458528       3.30942248       0.64288004      -0.26105057       0.69657781
Li       5.56538154       8.40286659       0.71973201      -0.64618586       0.23012283       0.65329256
Li       6.63249529       5.07252244       6.15842349      -0.52230517       0.53669678      -0.31670504
Li       6.74658170       2.03717988       0.43795147      -0.05188157      -0.88309007       0.02544103
Li       3.80674326      11.00587216      11.29688236       0.53437026       0.23802300      -0.22690414
Li       2.08385872       8.71714988      11.38987828       0.52404711      -0.35167378       0.03082484
Li       0.83965117       7.80508561       8.74420938      -0.54968783       0.30966383      -0.36868799
Li       0.98554335       0.67839272       8.65337195      -0.79114534      -0.75615582       0.29929088
Li       3.92677456       3.71777491       2.62531398       0.15007742      -0.63266138      -0.68999034
Li       8.96842699       0.25733535       9.22215199      -0.39712211       0.39810787       1.17851222
Li      11.86976232      10.87943774      10.92466955      -0.57537227      -1.28427978       0.21673598
66
Lattice="12.0477 0.0 0.0 0.0 12.0477 0.0 0.0 0.0 12.0477" Properties=species:S:1:pos:R:3:forces:R:3 energy=-570.49912825 stress="-0.025312613493105342 -0.001249960837026839 -0.001721899248924554 -0.001249960837026839 -0.02401502791919906 -0.000980479898162299 -0.001721899248924554 -0.000980479898162299 -0.01379665387263152" free_energy=-570.49912825 pbc="T T T" config_type=melt 
Cl       9.39066410      11.03912679      10.87459136      -0.47543607      -0.35634432      -0.41175438
Cl       0.39106834       7.42812991      10.57008574      -0.17716360      -0.64681843       0.67286604
Cl       6.27496021       2.26313635       1.96893152      -0.49345739       0.93112495       0.52719226
Cl       6.79895083       1.23493744       9.72661421       1.74287725       0.49224713       0.20832857
Cl       3.62824919       0.99569421       0.03686596       2.55043883       0.90307958      -0.50059929
Cl       4.41101235       7.31683326       0.64119305       0.77049130       0.70085841      -0.28021321
Cl       9.57728297       7.92655531       7.37489113      -0.41082595       0.12347280       0.27730944
Cl       7.72238294       8.45428071       4.01096847      -0.07357725       0.00263152      -0.44115552
Cl       5.94991327       5.75096959       4.48744296      -1.14335658      -0.41489417       0.11525965
Cl       8.87346839       4.77481675       5.78513687       0.52937515       0.28435174       0.63083865
Cl       6.16162750       5.78781146       9.13662630      -0.49043786      -0.21845144      -0.26824377
Cl       4.19837045       9.34976216       3.52783161      -0.37929128      -0.40489932       0.28139813
Cl       8.07656122      11.11029256       6.83421445      -1.96901850      -0.16043810      -0.68402898
Cl       5.63639597      10.38791247       9.07488183      -0.48260332       0.17242164      -0.17575021
Cl       6.57597200      10.27177264       0.46901696      -0.95656428      -0.54004220      -0.01979745
Cl       8.37100701       0.21924164       1.61275331      -0.00277645      -0.66377054       1.71477762
Cl       9.75502269       2.11631103       4.25142852       0.17736612       0.02542205      -0.18326660
Cl      11.78465052       6.86994792       2.16141762       0.37411342       0.08415508       0.98931492
Cl       2.28602698      10.32572224      11.06704132      -0.08990911      -0.57103207      -0.06983040
Cl       3.30074451       7.95528907       8.70447530       0.05199116       0.44977229      -0.26598196
Cl       4.35732780       0.64091957       4.74655285       0.60271360      -0.02036932       1.70862736
Cl       9.44201140       7.03271235       0.18011312      -1.53845671       0.22991142      -0.44574071
Cl       0.60900160       0.09710892       1.94673965      -0.42290761       0.22226008      -0.50116482
Cl       2.40703408       2.79356044       3.56211936      -1.58805071       1.02354149       0.56052816
Cl       2.07604762       1.47046998       7.54859486       0.44940291       1.34014826      -0.85532601
Cl       0.29626740       1.00227828      10.80754591      -1.27850996       0.94828973      -1.20240825
Cl       8.56260158       3.00581682      11.20968608       0.80591823       1.00806730       0.95281257
Cl      10.66211812      10.92127619       4.46450414       1.49931770      -3.89700972       2.75656522
Cl      11.88392718       3.82718081       8.93226116      -0.14829690       0.51850631      -0.57754544
Cl       2.62043499       4.83685036       0.92881382      -0.19713543      -0.49732149      -0.70099103
Cl       1.58842901       7.73271986       5.65790111      -0.32850546       0.14501793       0.11120873
Cl      11.95403479      10.95081715       7.71897344       1.22261203      -0.80644507       0.80328922
Cl       9.89600488       1.29317602       8.01052778      -0.16453580       0.30316552      -0.13771137
K        5.94906993       4.43634867      11.90476488      -0.32524443      -0.05667819       0.01673171
K        2.84629322      10.95510613       7.39331206      -0.20651558      -0.79186549       0.29804553
K        1.18039991       0.48121767       4.56376514       0.22115010       0.20389896       1.09056574
K       10.33086661       1.71071316       1.24738271       1.72362483       1.53034276      -1.19580580
K        9.38859189       9.72743346       1.58176663       0.30029888      -1.30099477      -0.44020052
K       10.55612245       7.92149527       4.68625411       0.21336304      -0.53850504       0.32332307
K        8.00779295       4.80170722       2.76698321       0.22395086      -0.06876253       0.01852059
K        7.28743687       8.41670394      10.36263639       0.24735002      -0.26253901      -0.02326509
K        2.96710756       5.45100596       9.87166852      -0.31944082      -0.66438204       0.41789870
K        4.87865588       9.30366766       6.38359432       0.73099021      -0.83025312      -0.32668631
K        8.95218806       5.82861702       9.35494267       1.06911027      -0.44744796       0.18050250
K        7.29794247      11.30141727       4.01676342      -0.46126721       0.24167446       0.73840622
K        4.72349355      11.74478468       2.29283393      -0.18949432       0.36568110      -1.18952737
K        2.77630813       5.93902214       3.69924629       0.27908367       0.18633941      -0.78082902
K       10.87172400       4.69375982       0.63368974       0.86284114      -0.13073233      -0.67666770
K        1.05459783       4.39877189       6.30194706       0.14391818       0.08937520      -0.13101478
K        7.21342785       2.52567983       6.50949279      -0.10538968      -0.44982559       0.01413972
K        0.65805140       9.49759948       2.58537618       0.92819844      -0.77258467       0.06218439
K        4.46510653       1.27250217       9.08515852      -2.59208922       0.05487227      -0.12451452
Li      10.08859941      10.85271273       6.78092747       0.29881873      -0.23783128      -0.24313940
Li       1.75343431       0.52648449       0.01802035      -0.76167577      -1.04622036       0.77893888
Li      10.04896247       0.11373643       3.35542902      -1.47359242       3.71513924      -2.78422170
Li       8.00515450      11.71305104       8.92582769       0.44009958      -0.19647902       0.20438418
Li       7.30221940       6.53294966       6.03850000       0.59685718       0.14607432       0.08693424
Li       4.40110914       2.78076578       3.21910930       1.12952671      -0.14742823      -0.30644136
Li       7.47548942       0.47141927      11.72548185       0.01554721       0.25553057      -0.44823836
Li      11.42109069      11.19100010      10.19463122       0.32779254      -0.30590088      -0.32277375
Li       4.62576261      10.46790919      11.17145873      -0.27265835       0.06063587      -0.04298642
Li       1.13275126       8.49676090       8.98263260       0.11079996       0.44229481      -0.80664494
Li       2.53382407       7.87897894      11.42740007      -0.12220761       0.36976375       0.14257982
Li       0.18724535       1.13461504       8.37582609      -0.99718006       0.35140174       0.82660859
Li      10.21254615       3.30765989       7.25879949       0.11763661       0.24435860       0.15670247
Li       5.80444934       8.74048587       2.08868565      -0.12000418      -0.71956157      -0.10231646
66
Lattice="11.7818 0.0 0.0 0.0 11.7818 0.0 0.0 0.0 11.7818" Properties=species:S:1:pos:R:3:forces:R:3 energy=-574.48934576 stress="-0.025490110859068653 0.005118867834873852 0.0031238545894527636 0.005118867834873852 -0.020310365435086495 0.007245197857277334 0.0031238545894527636 0.007245197857277334 -0.015483572352724222" free_energy=-574.48934576 pbc="T T T" config_type=melt 
Cl       2.19030731       2.67271311       1.14379246       0.37507398       0.38388949      -0.60938662
Cl       6.31723621       3.75709820       4.17149945       0.32955292       1.19772098       0.24610668
Cl       7.43349107       1.70243475       6.30133078       0.35040623       0.33557073       1.29672055
Cl       6.77200191       1.86635494       9.90642020       0.03226180       0.12639855       0.05765001
Cl       4.66436749       4.85667003       0.38578208       0.38139709       0.84051629      -0.19229210
Cl       4.29805955       7.26137076       4.10500297      -1.70591520       0.18076044       0.15129495
Cl       5.98595556       5.44842272       7.81231129      -1.38441445      -0.36394886       1.64402956
Cl       7.61508396       7.00171167       5.93761484       0.47190447      -0.02878857      -0.80572749
Cl       6.35682306       9.15568391       1.40025515       1.11932140      -1.51179662      -1.37010492
Cl       6.60995504      10.61000574       5.39929261       0.07026032      -0.56746881      -0.48081397
Cl       5.61542973      10.76433553       8.67346662      -0.37904737      -0.05058178      -0.01058639
Cl       9.41041821       2.89470579       4.24816363       0.94274421       0.72433541      -0.38232516
Cl      10.93296844       1.55403120       7.03573751       0.22132642       0.22255076      -0.07331517
Cl      10.85491401       2.10428839      10.66820783       0.27225504       0.45964151      -0.26203401
Cl       8.78471037       5.51441258       1.06276431      -1.46669446      -1.04746537      -0.42267954
Cl      11.08045301       5.11551618       7.12995656      -0.38754708       0.33439438      -0.07053499
Cl       9.59658243       6.98784449       9.71755795      -0.00852334      -0.24132550       0.55185754
Cl      11.63576459      11.19002375       2.07653047      -0.56991648      -0.81209657      -0.48914481
Cl       9.70153470       8.39727766       2.65466339      -0.07614486      -0.95874039       0.54658176
Cl      11.61051619       9.27703645       5.05630085      -0.78639415       0.54898445       0.36614594
Cl       5.06959072       1.12862339       3.24656924      -2.24588049       0.06369203      -0.23218703
Cl       7.70542680       0.54196751       1.85725939       0.95784236      -0.07425222      -0.46830249
Cl       9.10972311      10.77407908       8.63122886      -0.07064017       0.07116932       0.21094638
Cl       0.23423514       5.56262371       1.72447850      -0.15006591      -1.24442691       0.70340671
Cl       1.87547405       4.49185838       9.28197302      -0.09673156       0.67273271       0.67881488
Cl       2.42185503      11.17853649       0.47959820       1.48015463      -0.79556412      -0.15881629
Cl       2.35870458       4.93591442       5.99083323       0.74690598      -2.09847656       0.52150411
Cl       2.77942087      10.63022330       5.40629100       1.08320414      -0.71643989       0.23355680
Cl       1.33509001       8.72293839       8.57012845      -0.36721329       0.37679555      -0.62731020
Cl       3.89190556       8.05006801       9.98607695       0.86675427      -0.46608706       0.22208780
Cl       2.13281213       0.95192585       8.23929550       1.00296776       0.34883716      -0.45512746
Cl       0.91392601       1.63559660       3.87098108       0.56625446       0.73278708       2.77205475
Cl       0.39067506       8.00151522      11.70239067       0.18238332       0.65086333      -0.39335353
K        8.73873779       3.93919770      10.19746601       0.22887701       0.52877673      -0.28233463
K        2.68524895       6.53684897       1.07818079       0.45016575       0.63317254      -0.13205927
K        3.60855327       4.16252172       3.57378518      -0.19578808      -0.25873784      -0.36684849
K       10.02038555       0.06200337       4.48402348      -0.08823950      -0.65391900       0.01651183
K        1.41581891       7.27610979       5.76230165      -0.05077136       1.08942880       0.17418436
K       11.10890606       2.07227724       1.77413879      -1.18047745       0.73033894      -0.53932673
K        5.47086705      11.14260200      11.60416580       0.02963013       0.99616104      -0.31240216
K        9.33820755       9.59920977       0.38390760      -0.10219522       1.36753013      -0.95731879
K        9.52210967       5.83609107       3.93620513       0.24325754      -0.15975640       0.39758397
K        0.65634641      11.49613848      10.09973598      -1.48063071      -0.24582124       0.22515024
K        5.13613433       8.30158588       6.96125297       0.62229078      -0.06631273      -0.69217661
K        4.72233395      10.03161361       3.15731033      -0.67228854       0.80039354       1.28724241
K        6.75427030       3.40620085       1.19681881       0.78808169      -1.38807241       0.73236985
K        4.55803675       1.41779825       6.71502513       0.42052202       0.06976588      -0.52949591
K        1.57537982       8.93687232       2.79691685      -0.67334210       0.44696315      -0.04544310
K        6.60100087       6.73790538       2.91507652       1.11788199      -0.34365765       0.03447311
K        9.80020728       8.29790996       7.23058491       0.06544377       0.41298225      -0.58827134
K        6.88881846       7.01391761      10.82221952      -0.54201031       0.11722772      -0.05964514
K        3.98427487       2.86223515      10.35734503       0.00874727      -0.74994167      -0.26921355
Li       1.04537437       4.03752861      11.55852311      -0.45461616      -0.15193662      -0.09422207
Li       7.33329865       4.33276873       6.49994837       0.05110285      -0.14942537      -1.02277135
Li       8.84880336       1.19400296       8.26067947       0.37724527       0.33016868       0.11095955
Li       0.03395397       6.86472468       9.09027135       0.09345073      -0.27507897       0.34107324
Li       3.67889061       6.03149222       8.42862903      -0.07600906      -0.51671113       0.18959528
Li      10.32377869       6.84712267       0.94147657       1.06538666       0.89542433       0.11911795
Li       1.61778252       0.48657302       5.93868698      -1.16638156       0.52578628       0.11675802
Li       0.51599807       3.19269107       7.86311441       0.05255584      -0.04733747       0.49128413
Li       3.55045721      10.23466115       8.22500418      -0.95318551       0.20513778      -0.04096133
Li       2.16185426       9.20142085      10.97313259      -0.07298407      -0.13550667      -0.12279055
Li       7.13379743       1.01779082       4.02254216       0.00311397       0.19054559       0.06824734
Li       7.28942322      11.44160053       7.29055428      -0.03922745      -0.46759171       0.04652376
Li       2.53939026       1.03279023       2.69287177       0.77697076      -0.46206043      -0.64102771
Li      11.60681671       3.56924918       5.41053245      -0.40441896      -0.56211700      -0.35348255
66
Lattice="12.2415 0.0 0.0 0.0 12.2415 0.0 0.0 0.0 12.2415" Properties=species:S:1:pos:R:3:forces:R:3 energy=-571.59447518 stress="-0.014069849913765513 -0.0038726094360944504 -0.00010894480529421542 -0.0038726094360944504 -0.007319995865464573 -0.0003193886949520516 -0.00010894480529421542 -0.0003193886949520516 -0.021792745654075144" free_energy=-571.59447518 pbc="T T T" config_type=melt 
Cl       8.55636781      10.76750098      10.89724864       0.12730729      -0.20879439       0.26223284
Cl       9.35211427       7.12807855       0.25987113      -0.09618605      -0.85789207       0.17665328
Cl       9.70340860       1.67446582       8.20309036      -0.33002602      -0.04384887      -0.80629010
Cl       7.79099250       2.32970435       0.05055788      -1.15776911      -0.30688010      -0.00453106
Cl       4.56074221       4.10698653       1.76830916      -0.24729626      -0.33582355      -0.17172934
Cl      10.47439051       0.66211825       4.77587433      -0.15948397      -0.42539724       0.07818429
Cl      10.53847476       3.37474896      12.21161054       1.56179226       0.86092891       0.21567007
Cl       6.31199895       0.18090856       4.46826992       0.57635806       0.33207164      -0.08349387
Cl       6.59525502       3.30013702       9.26495479       1.38828050       0.75125567      -1.57328430
Cl       4.66901827       0.40061778       7.06700571       1.14258103       0.94729080      -0.48116046
Cl       8.58342152      10.04385695       6.23313921       0.51330356       0.78898685       0.16945870
Cl       4.83304213       0.18380123      11.76006629       0.24771058       0.82954534      -0.43283526
Cl       5.04168626       9.91928745       9.91903038      -0.72485047      -0.27481116      -0.94055421
Cl       5.26728486       5.67560009       5.28092189       0.30302076       0.49626954      -0.35774219
Cl       7.30244648       7.53947864       7.52295262       0.06460604      -0.57509623      -0.29942759
Cl       5.63255898       9.51361638       3.62369211       0.27228606      -0.65176956      -1.20412831
Cl       5.52958348       7.06010150      11.82601125      -0.26883789       0.19327884      -0.90745121
Cl       1.34865830      11.64699155       6.35428110       0.33041237       1.31039326      -0.04463228
Cl       0.61894983      11.41525996       9.89963984       0.81904904       0.90127468       0.57937183
Cl       0.11991247       2.90883747       6.05099793      -0.09830124       0.73322315       0.49680491
Cl       8.70222528       4.89821588       3.74231224      -0.32433348       0.03796547      -0.24413794
Cl       0.70835440       9.14589396       3.87917221      -0.45537212       0.08787195       0.68641345
Cl       2.31287229       1.29322878       3.05475615       0.54777912      -0.40046021      -0.47999023
Cl       2.24566645      10.47844245       0.23478707      -0.03046804      -0.12610152       0.52820065
Cl      12.11185027       5.71678050       3.49083511       0.46913927      -0.76723941       0.33560164
Cl       2.04613000       7.08239327      11.21168381      -0.20999199       0.39647731      -0.99611502
Cl      11.25260715       6.79588097       8.34440623       0.09697155      -0.17364478      -0.09389077
Cl       9.11164225       9.01890064       2.78398641       0.00006628      -0.26216881       1.01977407
Cl       2.31428006       4.40856812       8.01864768       0.17987256      -0.30948213       0.11487696
Cl       2.19365232       8.00011405       6.92757502       0.42971396       0.52893439       0.55780714
Cl       2.97137930       7.40873942       1.91273438      -0.18809806       0.08184120       1.35229001
Cl       1.03609363       2.47053056      11.50439032       1.22407742      -1.47598053      -0.53341254
Cl      11.43700086      11.52966902       1.85235930       0.26538726       1.20305371      -0.89020215
K        9.93028032       6.48995364       5.77731472      -0.33584430       0.51958279       0.45900389
K        5.35172673       9.50521871       6.33464573       0.27086215      -0.06797331       1.73053722
K       12.08239722      10.02802869       7.84348405      -1.32024053      -1.88187012      -0.82591056
K       10.91639435       9.38870412       0.25208554       0.41139839       0.04535943      -0.66949340
K        8.93339376       4.77555605      10.71126353      -0.50258199       0.11943493      -0.98278364
K       10.17912553       0.83684853      10.74434007       0.56546919       0.28502496       0.95020670
K        9.66143249       2.23717085       2.17005070       0.12149460      -0.37223521       1.09463575
K        7.00675305       9.16818573       0.92231746      -0.23751854       0.77526486      -0.67499333
K        4.40878847       3.28948691      10.53600198      -1.95787468      -0.09497593       1.44169600
K        4.93176983       6.16653321       8.34659746      -0.41586372      -0.22682035       0.04040105
K        6.90913932       5.67921134       1.36662882       0.65431525      -1.25029484       0.67022245
K        6.76499566       0.43675713       9.19334202       0.11066130      -0.48657623       0.51598358
K        4.64770582       2.95997022       4.38376684      -0.55542979      -0.20902136       0.21083068
K        7.61551060       2.59388816       5.73126219       0.50546864       0.18535418       0.49730900
K        5.92039337       0.99233761       1.79555874      -0.04386518       0.60552569       0.02360829
K        1.25301546       4.88181227       0.66799050      -0.11161740       0.04744769       0.35269657
K        2.44213028       6.38898575       4.31589996       0.31936982      -0.26179159       1.14265099
K        7.85963059       8.08810595      10.24180201      -0.19569807       0.17575887      -0.72442934
K        3.22285643      10.74871028       4.41756562      -0.27558439       0.57531555      -0.27776731
Li       0.87520482       1.64320103       4.52285476      -0.67616084      -0.27508144       0.25827493
Li      11.76977380      11.10750865       3.88792488      -0.26741888      -0.04026802       0.62760512
Li       1.06107731       1.72079990       7.82985926      -0.29583545       0.53095504      -0.09110853
Li       0.20179501       5.05234860       7.06057892       0.61433154      -0.07222006       0.70012814
Li       2.04991262       8.31697303       9.33391116       0.22933288      -0.42877893      -0.03364208
Li      10.48986376       6.73084188       2.86025096      -1.41500831       0.53264731      -0.99176980
Li       3.10645201      11.83660015       7.85208983      -1.63039594      -1.21218362       0.73030410
Li       3.10040470      11.79139229      10.83227076      -0.48949714      -0.69617665      -0.12763155
Li       3.65734399       8.20430227       0.23968857       0.25404875       0.56591484      -1.92308903
Li       9.70229462      12.09886082       6.92158893      -0.19782974       0.00122557      -0.71719407
Li       6.55365841       7.57351001       3.86844866       0.10182578      -0.94043461       0.78065765
Li       7.75544319      10.42018515       4.15701754       0.34196802       0.40814478       0.17413742
Li       1.66102465       9.35167358       2.02613963       0.23330177      -0.39475116      -0.61827870
Li       1.10817893       0.41691244       0.53459855      -0.07828346       0.25322477       0.22887081
66
Lattice="12.2363 0.0 0.0 0.0 12.2363 0.0 0.0 0.0 12.2363" Properties=species:S:1:pos:R:3:forces:R:3 energy=-571.36283772 stress="-0.016866460544472824 -0.008268556823270306 -0.0030698643496271396 -0.008268556823270306 -0.016398692197169277 -0.0025115518088079194 -0.0030698643496271396 -0.0025115518088079194 -0.01020330423485855" free_energy=-571.36283772 pbc="T T T" config_type=melt 
Cl       5.06399276       5.29757149       5.20369459       0.44049806       0.20974237      -0.33532157
Cl       0.98665570      11.93917816       9.97001488       0.12504085      -1.92566992      -0.76089538
Cl      12.13569314       3.32716010       6.34922029      -0.60131729       0.27049928       0.18145976
Cl       7.00867121       0.53584960       4.39089836       0.19622893      -0.39856980      -0.45067557
Cl       9.89670720       0.76480424       8.11418420      -0.86177031       0.42983539       1.32594651
Cl       4.64365138       0.70490265       6.95073232       0.79685920      -0.02292605       0.20993690
Cl      10.56440539       0.73451939       4.67184381       0.72202249      -0.32286640       0.00485654
Cl      10.60235015       3.52759069       0.09912969      -1.00394499      -0.21237224      -0.39660992
Cl       6.78278911       3.76540318       9.39377080      -1.21038063      -1.35398417      -1.62089594
Cl       7.50148819       2.22525681      12.16212355       0.55320198      -0.29049170      -0.04579087
Cl       4.99044036       4.44571699       1.74182507      -0.70059687      -0.94437270      -0.15149571
Cl       8.48589852      10.91775302      10.69250721       0.72983728       0.23292105       0.71738764
Cl       4.55134073      12.17388263      11.30897200       0.89055607       2.03923153       0.92996247
Cl       7.18071358       7.31116478       7.37245640       0.36730700      -0.31751534      -0.92837887
Cl       5.85155773       6.60953534      10.72393003      -0.55187843       0.43001973       0.89792819
Cl       5.24331573       9.74436527       9.80519192      -1.31928972       0.07155189      -0.35411539
Cl       5.37525975       9.17434947       3.20592284       0.64569256       1.94731752       0.17686214
Cl       8.39815202       4.75364348       3.10458180       0.39159081       0.02837886       0.84977274
Cl      11.54278322       6.32974010       3.85947586       0.49806149      -0.09104177      -1.08690421
Cl       2.00166290      10.24927172       0.91071355       0.52988118      -0.30966841      -1.03550294
Cl       2.78515319       0.69167766       2.55458459       0.03216253       1.21146064       0.13333026
Cl       8.82353475      10.32755956       6.48265714      -0.91613509      -1.59521266      -0.16773091
Cl       2.73038351       4.01475450       7.98421022      -1.19980941      -0.07688444       0.68275798
Cl       1.31827778       0.30968729       6.65334129      -0.21379934      -0.30548067       0.05970539
Cl       1.25483257       2.13202844      11.23106348      -1.92574214       1.17440255       1.19991195
Cl       0.48752601       9.59936511       4.52647657      -0.02385551       0.27201865       0.22625098
Cl       3.24789335       7.15327980       2.15435969      -0.59921692       0.17541373      -0.05590611
Cl       9.00502355       8.76088489       3.46715560      -0.56371980      -0.44793799      -0.74462603
Cl       3.05046064       7.96960008       7.48080884      -0.60383194       0.85890911      -0.67189602
Cl       9.58247902       7.15950808      12.06330319       0.08082136       0.53918954       0.59925600
Cl       1.62385490       6.52824959      10.93571591       0.50311087      -0.42857145       0.56275876
Cl      11.95165919       7.34640532       8.67163332      -1.10533378      -0.76240276      -0.46669642
Cl      11.52993511      11.85316921       1.50838094      -0.65651112       0.08429067       0.11045905
K        9.38318640       1.85312645       2.58623990      -0.49246812       0.82073415      -1.33750252
K       11.94618956      10.07700908       8.05755460       0.07408514       0.34123575      -0.66528237
K        8.77927605       5.07972864      10.27003672       1.14710061       0.36044177       0.33934727
K       10.04327361       6.19202054       6.16751123      -0.31343293       0.23806218       0.24125439
K        7.65368329       8.61396364       9.71043401       0.80414297      -1.10462426      -0.42876995
K       10.21591556       0.78179801      11.28544160       0.47017915       0.73545330       0.07144606
K        5.12124640       9.58011741       6.45793981       0.88231851      -0.11694723       0.46842205
K       11.24329978       9.53032791      11.63385801       0.50114078       0.13925874       0.09353726
K        6.61392817       9.73554290       0.42255982       0.01940208       0.14429621      -0.00284508
K        3.65487268       2.75452573      10.94295980       2.36299433       1.18306937      -0.46908810
K        0.49748146       4.83685032       0.85223382       1.07970193       0.64710328       0.59321453
K        2.30234550       5.75941839       4.77257303      -0.67672593       0.14837880       0.14569464
K        5.55458273       1.23012748       1.50751216      -0.25127652      -0.15236880      -0.05136107
K        5.03523745       2.62237369       3.98503253      -0.37374387       0.66936153       0.64351900
K        3.37679053      11.56866300       4.78257009      -0.20326072      -0.87198350      -0.02257043
K        6.70632447       0.58066627       9.52796630      -0.00087417       0.40466859      -0.32463559
K        4.70778183       5.85729656       7.97593848       1.44769540      -0.27636408       0.70291590
K        7.23745331       5.71256560       0.80659609      -0.32030803      -0.53568180      -0.30781932
K        8.16033952       2.72769152       6.51195084      -0.22849798       0.15061635      -0.06084565
Li      11.78991978       1.56654007       7.96926970       1.62056590       0.37689449      -0.44841852
Li       9.84969534      11.98747484       6.32801478       0.42290983       0.60909062      -0.24140958
Li       0.51807882       1.48592733       4.83999505      -0.21331084       0.08563900       0.35251034
Li       5.41571296       7.24588412       3.86692776      -0.24640510      -1.82472469       0.18046512
Li      10.55311128      10.13519269       3.87162650       1.24645085       0.61026019       0.18037875
Li       4.08190732       7.82291132      12.21369955      -0.54350639      -0.85121329      -0.19695230
Li       0.65155728       4.65536152       9.28513693       0.54375409      -0.16330661       0.05752855
Li       1.32232800       9.02235015       2.55848797       0.34691801      -0.54418687       0.15021499
Li       7.83531892      10.49322683       4.21134290      -0.48531714       0.17588866       0.51253179
Li       3.08867461      12.05032048       8.14766272      -0.78689125       0.22020699       0.55589727
Li       9.57911404       6.75184350       2.27569484       0.55778222      -0.33372107       0.51091565
Li       3.17948019      10.78299465      11.15096466      -1.59649734      -1.21259797      -0.23863469
Li       1.85290620       6.80284440       8.79677396       0.10662347       0.14485023      -0.05938008
Li       1.29128450       0.74330016       0.93561075      -0.34698831      -0.38700403      -0.53937970
66
Lattice="11.8461 0.0 0.0 0.0 11.8461 0.0 0.0 0.0 11.8461" Properties=species:S:1:pos:R:3:forces:R:3 energy=-571.91627528 stress="-0.024369800796683803 -0.00823650136238463 0.005623613697159749 -0.00823650136238463 -0.022600585172638167 -9.474133377642656e-05 0.005623613697159749 -9.474133377642656e-05 -0.02546316865467021" free_energy=-571.91627528 pbc="T T T" config_type=melt 
Cl       7.40021129       6.87497890       5.11227922       1.14533531      -0.10579663       1.63425408
Cl       5.99303676       2.36309557       5.71451126       0.17636004       0.14589442      -1.35119587
Cl       7.01482211       1.73630657       8.85070700      -0.83186324      -0.29998644       1.06167298
Cl       4.85831069       4.36127202       3.21526846       0.71475456      -0.59676121       0.77093579
Cl       4.76131482       5.98472080       7.67139221       0.24598769      -0.37023456       0.10735034
Cl       6.82983342       9.42418855       0.86989822       0.30452035      -0.26201323       0.46398529
Cl       6.73091848      11.05321683       5.71589725      -0.30416455       0.99669471       0.50630036
Cl       6.70022524       9.38522672       9.02728497      -0.70303223       0.81036378       0.44399813
Cl       9.38878055       0.13809354       2.80208834       0.91853837       1.61492016      -0.44717163
Cl       9.52698900       3.05461165       4.57172983      -0.60776977       0.40419430       1.41736558
Cl      11.73665388       1.61854449       8.08893169       3.39798167       0.05495253      -0.73261730
Cl      10.03348085       1.18947875      11.61616720      -0.05555752       1.40311876      -0.63202206
Cl      11.46573358       5.05198257       1.23327378      -1.07229301       0.06773725       0.13312353
Cl       8.11777695       5.86684026       1.48550094      -0.25760264      -1.61049981       0.37738352
Cl       8.44156640       4.13715566       8.31224252       0.17811585       0.66609795      -1.33706397
Cl       9.21854025       7.43117699      11.00117692       0.42425637       0.43554274      -1.54534857
Cl      11.47455892       5.44205096       8.97908319       1.02705460       0.06910281      -0.32729255
Cl      10.07376944       8.49116602       2.40167831       0.88686867      -0.72309347       0.44908476
Cl      11.22648974       8.12516891       5.79012491       0.49551684       0.81439867       0.74838776
Cl       9.34483152      11.78778165       7.52299611      -0.31803932      -0.20463188      -0.38907897
Cl       5.91743495       3.19424163       0.23106529      -0.10286117       0.53360374      -0.43162031
Cl       4.50558121       0.77470532       2.02019836       0.14788993       0.39466055      -0.63225506
Cl      11.68903256      10.04250758       9.36127391       0.02620509      -0.24343946      -0.33945980
Cl       3.72936551       8.13611471      10.18047911      -0.14663331       1.37562430      -0.66117613
Cl       1.76510444       3.44787848       0.15252920       0.35157152      -1.39816805      -1.17831661
Cl       2.72192578      10.24876003       7.41651152      -0.31729363       0.26662687      -0.36606630
Cl       3.30926727       6.14822067       0.99686945       0.06736515       0.76339622       1.35370425
Cl       1.27075484       1.10054297       4.30551243      -0.31304768       0.19528879       0.37172846
Cl       0.90598499      10.37508684       1.18804537       0.96495872      -0.31084975       0.60688707
Cl       3.22669995       2.91975565       7.91910600      -0.37873810      -0.46262626       0.53996431
Cl       1.03247172       4.83002220       5.32683579      -0.29773091      -0.42647396       0.11904096
Cl       3.74316622       0.20424098      10.62821431       0.11258494       0.28377118      -0.91813562
Cl       3.36184026       8.49550169       3.79382014       0.05835330      -0.24188462       0.38259105
K        7.18220751       2.49067806       2.63677601      -0.34329246      -0.00455277       0.44435040
K        0.87811941       6.85371515       2.73359419       1.30909520       1.36102264       0.49849589
K        9.52683500       4.45354129      10.82498987      -0.94778650      -0.37119509       0.76276844
K        0.82710063       0.41380797      11.02379112       0.30033934       0.63785352      -0.06303168
K       10.20445562      10.23317056       0.17729229      -0.69153809      -0.75653364      -0.15788144
K       11.43063358      10.92687818       5.08319705      -1.06437789      -0.53335155      -1.34014020
K        8.15748507      10.01867323       3.63730947      -1.48146053      -2.27160914       0.33672602
K       10.18239818       6.04408160       4.27401365      -0.68053634      -0.27195528      -0.17344293
K        2.31921761       7.40538803       6.38139930      -0.04035190      -0.52952166      -0.00912300
K       10.90403890       2.46580125       2.38655084       0.87395277      -0.45695422      -1.25015515
K        2.44098367       3.28925920       2.93662450       0.10075974       0.26993999       0.11426204
K        5.39899038       8.82353205       6.31808190      -0.46070119      -1.13596313       0.49894419
K        2.97242341       5.66487610      10.33761763      -0.28833682      -1.55476098      -1.49378135
K        4.02836107       9.38106874       0.89519912      -0.65838798       0.25294682       0.14685036
K        6.38318806       6.37204088      10.54867959      -0.00986033       0.43775369       0.23313810
K        5.97833575       6.77110045       2.95480826      -1.22937885       0.86674636      -1.35313354
K        7.45092444       0.12221029      11.73154821      -0.89560993       0.08317923      -0.00376806
K        3.72987489      11.26896985       4.19799723       0.04963724       0.13770716       0.73479305
K        8.74809608       8.14053331       7.89675241       1.18866331      -0.63455033      -0.39560392
Li       3.65588415       2.06215724       0.04857718       0.17218844      -0.09040921       0.87116183
Li       0.46536693      10.56574982       7.26160007      -0.20400498      -0.48582691       1.13187518
Li       5.39882454       3.39632425       7.36618929      -0.69789663       1.10559262       0.85224175
Li       7.44846045       1.26960577       6.79019637       0.67006822      -0.61464791      -0.89184443
Li       5.52654919       2.47929396      10.23121596      -0.51795324      -0.55363089      -1.01947729
Li       0.95560238       4.03943718       7.68024124       0.26178701      -0.19293247      -0.26933639
Li       0.23624796       4.93019282      11.00172184       0.76281652      -0.15435905       0.21376050
Li      10.00862774       6.73983859       1.01504611      -0.24687567       0.54379299       0.19559083
Li       9.88090309       2.12365035       8.30560871      -2.52634229       0.43048664       0.44282471
Li      11.45776115       2.13865936       5.47112128       0.22176450       0.55295997       0.38037958
Li       6.98345364      11.52619607       8.41565898       0.04597097      -1.65342659      -0.30671584
Li       1.84299255       9.10676045       9.54151232       0.38454506       0.08209436       0.23509568
Li       2.45980713       0.46640110       8.32488231       0.65521968       0.83814613       0.30318249
Li       7.57719202       4.01221484       5.65252061       0.05029170       0.62642829       0.13205668
66
Lattice="12.2174 0.0 0.0 0.0 12.2174 0.0 0.0 0.0 12.2174" Properties=species:S:1:pos:R:3:forces:R:3 energy=-572.03685863 stress="-0.010608011575848356 -8.334652888226692e-05 0.0003988913342655612 -8.334652888226692e-05 -0.022335117867424575 5.19769536759427e-05 0.0003988913342655612 5.19769536759427e-05 -0.021097704292502933" free_energy=-572.03685863 pbc="T T T" config_type=melt 
Cl       0.97955815       2.27220427       0.33447087      -1.47734986      -1.52051489       1.19393547
Cl       6.98764419       1.77081439       0.14868576       0.62510051      -0.03788978      -0.23800634
Cl       4.59250844       4.79407111       1.35464088       1.52009200      -2.08326705       2.64010296
Cl       4.33772678       4.23110553       5.98226213       0.20618340      -1.61499122      -1.99659664
Cl       9.07341094      10.64072010      10.77031006      -0.52303768       0.12279788       0.27925582
Cl       5.74349748       6.12156492      10.47903502      -0.58407083      -0.86151307       0.85363366
Cl       4.60021762      10.90183037       3.09128320       1.27352697       0.23110316       0.03811566
Cl       4.48585054      11.98562370       7.63651030       0.80314170      -0.02900442      -0.71573112
Cl       5.22638381       9.84203201      10.06513395       0.78760133      -0.30836332      -0.02998235
Cl      11.09700333       1.24790967       4.47294897       0.53810097      -0.88916709       0.02912982
Cl       9.69040185       1.12123234       7.91534802       0.94126391       0.25243170      -0.17664298
Cl      11.51229719       3.93252449       7.14627491      -0.33035274       0.37549342       0.52765291
Cl       8.55211891       7.37237012       0.50452975       0.21528051       1.44838360      -1.04649439
Cl      11.25658701       6.64219721       2.77589102      -0.02242049       0.65253614       0.12995004
Cl       8.43868035       4.95017283       3.47114660      -0.78859520       1.57882918      -0.99718898
Cl      10.26690431       3.92309266      12.10205553       0.56555018       0.14140588      -0.72200554
Cl      11.69563150      11.68984045       1.16772077      -0.70576281      -0.44035865      -0.38735489
Cl       8.99960562      10.03567779       3.04236473      -0.48878865      -0.77706880      -0.67192115
Cl       8.10885942      10.21500479       6.13722763      -0.27964905       0.40119889      -0.54371568
Cl      10.79716390       8.76801259       8.49705509      -0.70971012      -1.05224509       0.31638027
Cl       7.75390730       4.49821455       7.85602033      -0.07491726      -0.75658659       0.14141709
Cl       7.74633251       0.99948839       3.55239231      -1.03943083      -1.16794015      -0.19522878
Cl       6.49588162       6.61491575       6.01056984       0.20403411       1.72392680       0.07937295
Cl       2.80438200       6.28019564       3.49741401      -0.12081990      -0.07764574       0.19146789
Cl       1.85724028       9.82546521       8.97922700       0.17521043       0.21124356       0.35544964
Cl       3.67577583       0.49011444      11.28596986       0.31064306      -0.16817488       1.35327399
Cl       2.65658811       3.21486220       9.49244332       0.48423493      -0.50372565      -0.54762880
Cl       1.48072445       9.69409151       3.95895073      -1.36052656       0.58192949       0.71691798
Cl       2.43153138       9.43327445       0.72748264      -0.48787342      -0.65384178       0.00882618
Cl       1.41481157       1.08561373       7.46963284      -0.19007360      -0.70845662      -0.56156327
Cl       2.42302807       2.22142875       3.72111460       0.11528650      -1.22995442      -0.81065047
Cl       1.70606217       6.39826460       7.80719960      -0.68761173       0.58623514      -0.00962495
Cl       2.20487418       5.74930074      11.20335580      -0.85454064       0.74016423      -0.15355893
K        1.23674297       4.21314596       5.06515078       0.32180995       1.38524073       0.59347745
K       10.12743047       2.04163750       1.94580421      -0.28269978      -0.07239591      -0.28829417
K       11.29047808       9.03222608      11.58027481       0.42577926      -0.11367114      -0.23969273
K        8.86104809       2.95174827       4.93251868       0.65273143      -0.18981872       2.95753029
K       10.40531523       0.93105995      10.97300894      -0.01129666       0.28469743      -0.20419594
K        9.65532570       7.66914298       5.78019855      -0.09769796      -0.43647362       0.14415879
K        4.88210969       2.20608370       2.10992055      -0.01305444      -0.95285520      -0.11663534
K        1.05566277       4.94373426       1.42638145      -0.32015335       0.35114898       0.83832642
K        4.67022332       9.25288454       6.79768806      -0.07201567      -0.82503259       0.11931673
K       12.00068776      10.65550315       6.89640465       0.36406498       0.25758639       0.05007344
K        6.79269114      10.71501410       0.61103982      -0.19366789       0.21697762      -0.24073432
K        7.52476996       8.03118119      10.28840693       0.56456447       1.11373899      -1.17163203
K        4.27618774       5.60914273       8.09162067       0.37493715       0.78311440       1.11441504
K        7.79246542       4.83374101       0.66915677      -1.44330417      -1.12103278      -0.31900413
K        2.86456491      11.84619874       5.04335494      -0.63506644       0.26636482       0.52169940
K        5.92301995       3.24072644       9.88915452      -0.07399784      -0.24366467       0.07641134
K        5.25086748       1.56355842       5.63592327       0.17710889       0.61150350      -0.26619801
K        7.50051843      11.80966871       8.41273060      -0.58575613      -0.45106957       0.75102476
K        9.89731574       5.31797765       9.43963972       0.56942345       0.13206655      -0.13361303
Li       9.43773380      11.48130165       4.52526387      -0.14240456       0.94148774       0.74100337
Li       1.03740998       0.61606850       2.03185136       0.95484037       0.56740546       0.25491891
Li       0.50558533       2.50746252       8.83660107       0.28871004       0.74775828      -0.07451384
Li      11.03878742      10.01897661       2.38310161       0.82406580      -0.41192430       0.34869284
Li       3.49169627      10.34668393      11.30969605      -0.32325329       0.44205411      -0.51061152
Li       2.16686585       3.44773806      11.58529616       1.62632277       1.05085041      -1.35683239
Li       9.02493229       6.95791926       2.38034048       0.83024195      -0.31373436       1.65229859
Li      11.87989432       1.97218158       6.42800175      -0.44892035      -0.63326777       0.16417734
Li       4.05311023       5.85230564      12.20240949      -0.24351989       2.64054105      -2.92641715
Li       6.72259992      11.09488972       3.95402712       0.19256961      -0.26319487       0.06241387
Li       1.80840733       7.71591119       9.80360828       0.11889524      -0.30457237      -0.70265421
Li       6.15144868       5.36762917       4.35816649      -0.58373079      -0.18264506      -0.05581920
Li       3.56580702       0.72058958       9.26180324      -1.06314855       0.52497586      -0.34556918
Li       2.08767266       8.11978178       2.68200030       0.20790327       0.03087072      -0.48850850
66
Lattice="11.9008 0.0 0.0 0.0 11.9008 0.0 0.0 0.0 11.9008" Properties=species:S:1:pos:R:3:forces:R:3 energy=-570.38331568 stress="-0.03150545810910387 -0.0075845205717284675 -0.0008737692847502573 -0.0075845205717284675 -0.019314626370311345 -0.0013258319666026174 -0.0008737692847502573 -0.0013258319666026174 -0.01794446119532342" free_energy=-570.38331568 pbc="T T T" config_type=melt 
Cl       4.90258216       5.88476709       6.98693588       0.66781206       0.07408334      -1.56112004
Cl       8.16118781       0.45065592      11.76477386       0.17144276       0.24212617      -1.02476908
Cl       2.14698763       9.72331062       9.62013069      -0.40203320       0.14396982      -0.20075372
Cl       8.05105781       1.57145304       8.00644171      -0.44822821       0.06764008       0.15531287
Cl       4.37155657       0.38678552       0.60116653      -1.12759217      -0.55722177       0.91586287
Cl       5.93276301       3.79391554       3.13038643      -0.03947891       0.65480012      -0.07322666
Cl      11.34152190       2.21196599       8.16782846      -1.55337225       0.41599590       0.36254366
Cl       9.13505408       0.40059521       2.99847796      -0.72808863      -0.65284143       1.48336872
Cl       5.27982562       3.38807445      11.01192925       0.11863841      -0.52171748      -0.21216472
Cl      10.37003580       8.21815694      10.23561626      -0.75296758      -0.47965226       1.15420872
Cl       7.37891253       5.60478887      10.03283853       0.80321086       0.34354565      -0.38403109
Cl       4.50638073       6.92927650      10.82641958      -1.09316614       0.78273298      -0.25298056
Cl      10.55609291       2.16253007       1.12193721      -0.02701880       1.23196907      -0.82446490
Cl       5.58285569       8.37494998       3.37159185       0.70785188      -0.65499337      -0.34104593
Cl       6.68898745       9.24444623      11.73349855       0.55532788      -0.61442647       0.66134304
Cl       6.09142448      11.86532372       5.60098061      -0.26448123      -0.00777769      -0.38958673
Cl       6.09475670       8.91479407       7.89650212      -0.43201762       0.33624235      -0.85717285
Cl       2.94889923      11.08109670       4.33215302       0.43800307      -0.86240692       0.39405988
Cl       8.87475978       6.60890697       1.25925935      -0.36861308       0.35673870       0.04337147
Cl       8.04857054       6.32776247       5.91806553       0.26227527       0.38101531       0.03730493
Cl       1.74794190       2.61233271       2.65225989       0.87080190       0.69669967       0.39855590
Cl       2.59387457       1.83818567       8.97097775       0.36368263      -0.93468453      -1.21138548
Cl      10.71626577      11.01467833       8.73865033       0.95953964       0.08762669      -1.05926857
Cl       1.12308564       1.25196416       5.99678932       0.58886900      -1.21708422      -0.34921286
Cl       9.54958275       8.92762314       3.82929661      -0.50983333       0.80514308       0.50911305
Cl       1.50380889       3.08347348      11.46371932       0.27024415      -0.57705601       0.43709045
Cl       5.58396247      11.57694353       9.77951810      -1.41326915      -1.00725396      -1.32888165
Cl      10.97991610       4.33255764       5.32110950      -1.34971123       1.38922385      -0.26776310
Cl       2.12955295       4.45001854       6.42826472       2.58607193       1.78668962      -0.16783070
Cl       0.32019340       7.72420234       6.88898039      -1.17706366       0.41488313      -0.36979775
Cl       0.66493697       5.47917592      10.06924308      -0.77944533       1.14800381       0.02709704
Cl       0.56806208      10.58774903       2.08432991       0.35814818      -0.18335111      -0.62714407
Cl       2.12360255       7.14783469       2.68890245       0.43367955      -0.71021048       0.61157749
K       10.40358415       5.90695018       8.26806890      -0.78114680      -0.60605432      -0.53730441
K        9.93352636       9.63875544       1.19617321      -0.71028355       1.08812313      -0.67448591
K       10.98078485       4.96407360       0.67145385       1.47681400      -1.16926731      -0.61065670
K       11.29535870       2.10518012       3.89106177      -0.27371842      -0.99194958      -0.67763258
K        7.98914985       3.85848928       0.72013764      -0.36093346      -1.16348421      -0.39571727
K       11.44488035      10.75508618       5.36596361      -0.00862911      -0.01864724      -0.54441391
K       10.97690519       6.79379780       3.49115918       1.29321076      -1.37696498       0.87307583
K        8.07197942       2.80541129       4.98531652       0.23820304       0.00065081       0.45644189
K        8.21452720      10.32061178       9.38881484      -0.61053568       0.29970960       0.48282659
K        7.91435332       9.74788578       6.00091890       0.44104626       0.02336508      -0.38022495
K        0.09330810       0.19046873      11.13121097       0.54893114       0.61199554       0.62755831
K        3.58497319       4.46927404       1.29848439      -0.97614212      -0.76306394      -0.24473244
K        3.07141797       5.61176274       8.78032693      -0.37405477      -0.58919906       1.38931104
K        1.07717949       7.87899604       0.31965787      -0.57211695       0.04915901      -1.38956360
K        3.53404967       9.34800700       0.71935338       0.65613711       0.70206243       0.32350542
K        6.12715068       0.92968098       2.63740769       0.58074120      -0.42912042       0.16737987
K        2.84661186       8.37278404       7.07515651       1.66398518       0.15267421      -0.25375168
K        5.65698578       6.39569223       1.26537636       0.70745124       0.01341505       0.44960694
K        5.10798997       2.17380013       7.51816379      -0.12904773       0.03708769      -0.20974756
Li       6.44186734       1.41285108      10.15621412       1.33980634       1.32846146       0.87737865
Li       9.73982893       1.14933761       9.39175434      -0.29152467       0.44996440      -0.03322007
Li       1.79509287      11.45601950       7.55603213       0.14624487       1.20422287       0.50038230
Li       5.54453512       9.35323145       9.80846085      -0.94370728       0.06294461       1.21477599
Li       8.01687871       7.61557184       2.94732833      -0.94453058       0.42293448       1.14715961
Li       6.64440705       6.92333800       7.86068071       0.62202042      -1.53978700      -0.13061262
Li       3.55996961       5.40464121       5.02970651       0.24043552      -0.08762874       0.09746025
Li       7.89938212       7.42068434      11.14778878       0.23500289       0.08486165      -0.28515493
Li       4.94993545       9.96476596       4.54327321      -0.43328417       1.32825640       0.47438578
Li       0.82919776       3.28272857       9.16215220       1.02756972       0.48541626       1.32536965
Li       3.57185851       1.58034293      10.86431172      -0.02555797       0.58786158       0.38072861
Li       0.61141431       3.40001096       6.34176971      -2.16152476      -2.38866759       0.32057213
Li      11.69106030       8.95592324       8.74022124       0.66295061       0.22090488      -0.12935162
Li       2.49769230       0.61485126       2.63251646       0.02696907      -0.40868838      -0.29955823
66
Lattice="10.6809 0.0 0.0 0.0 10.6809 0.0 0.0 0.0 10.6809" Properties=species:S:1:pos:R:3:forces:R:3 energy=-563.26599882 stress="-0.10206907939921427 0.0034337472526924048 -0.012995316327611714 0.0034337472526924048 -0.10020953344696315 -0.0022683913388932657 -0.012995316327611714 -0.0022683913388932657 -0.09767129909301946" free_energy=-563.26599882 pbc="T T T" config_type=melt 
Cl       2.73648930       3.29032601       1.88129100      -1.43595324      -1.77699494      -1.91623192
Cl       0.39147314       8.52977742       8.68634873       0.63616460       0.42031645      -0.15208800
Cl       9.55000631       2.64601140       8.78679192      -2.04779375       0.98875971      -1.39226843
Cl       8.19043455       0.22880624       7.23783712       1.20578427       0.84274795       1.50406219
Cl       5.73138162       1.30607113       1.74536587      -0.27570736      -1.80560711      -0.23344049
Cl       5.39132313       0.94886125       6.15683391       1.04636821      -0.69609638       1.69971060
Cl       4.15511576       1.25480281       9.24359265      -0.71145144       0.39632034      -1.22638083
Cl       2.38535472       9.76517304       6.08834798       0.58867353       0.85823099       0.69976052
Cl       6.22890862       6.51706862       2.04100250       0.99937019       0.02636300       0.05298483
Cl       3.66462747       6.02420918       0.50290163       0.14484696       0.09042525       0.46745170
Cl       6.46921819       3.56374637       3.99741227      -0.09134360       0.24822800       0.32284229
Cl       9.59600894       1.29104311       1.64218837      -0.13137862      -0.31092078       1.01626057
Cl       3.96201577       9.03655408       9.47684214      -1.67877777      -0.73355580       0.27391296
Cl       6.83934342       9.56312245       9.50703705       1.02284954      -1.21539537       1.18347770
Cl       6.14796876       4.06743625       8.88062362      -2.75286074       0.00486504      -0.63702176
Cl       9.50227337       2.43888739       4.56478168      -0.03341315       0.65711556       0.21919832
Cl       5.52923491       7.63730278       6.74059850       0.31203023       1.42225023      -0.46479782
Cl       7.97033324       3.72471821       0.76669636      -0.22999398       0.17529374      -0.26685428
Cl       9.25585432       5.22259695       3.14865455       0.13573727      -0.53032888       0.43273240
Cl       9.13317350       9.64594215       4.73577221      -0.09119241      -0.84582390      -0.44981821
Cl       1.66781185       0.78356257       3.37002689      -1.26988714       0.10451443      -0.44629254
Cl       2.82288710       3.15150635       6.77153039       1.25968799      -0.51257490      -0.14107863
Cl       9.48096497       8.15611682       1.80232711      -0.00934034      -1.00909802      -0.35708445
Cl       1.16130221       1.29893629       9.31611596       0.47915760       0.08180162       0.62569181
Cl       0.28457549       4.76166271       0.30333542       0.21168732       0.11200584      -0.95091973
Cl       3.03446505       7.21779975       4.12732406      -0.01123185      -0.89316983      -0.69626855
Cl       5.59576623       9.49823599       4.11848027       0.13556129      -0.72583602      -0.35416418
Cl       1.47785205       3.96215462       4.38245872      -1.20333646       0.71413581       0.48919943
Cl       0.34426784       6.95871316       5.99867114      -0.12976758       0.28178723      -0.91987874
Cl       8.25996721       5.46073830       6.71607515       0.43548929      -1.44468266      -0.26791957
Cl       2.87753059       6.28254810       8.05236255       1.27631421      -1.25746339      -0.50945809
Cl       1.68620436       8.34128090       0.82005066      -0.25782202       1.17216243       0.72351769
Cl       8.60452236       6.51142911       9.52284478       0.46301248       0.81291857       1.48865352
K        7.41692377       2.71572563       6.47152527       0.81218342       0.77877265       1.09468095
K        7.41924152       6.82663315       4.57582573      -0.14469702       1.04923636      -0.89041581
K        7.57008787       9.87798470       1.93754730      -0.74902221      -0.51257841      -0.64275820
K        8.67156637       8.11429041       7.30019221       0.08641902       0.32426184       0.01793660
K        7.36116947       0.92173710       4.00127876      -0.08233364       0.58447190      -0.06863406
K        4.05484347       4.66286438       3.55162355      -0.72949697       1.95568362       1.71828881
K        4.43566028       8.55107514       1.75274637      -0.27937080       0.01340286      -0.23800807
K        0.78263013       9.02655676       3.53323104       0.29732677      -1.04530087       0.38587656
K        1.25000709       6.02004362       2.43145348       0.14272578       0.07406226       0.15026096
K        0.37730386       1.07506463       6.18008623       0.20617763      -0.15909272       0.83035281
K        3.98803444       1.46046354       4.11752967      -0.01427303       0.94878584      -0.99058935
K        3.05210990       3.91010660       9.59296489      -0.25209433      -0.85390208       0.09062189
K        6.60643572       1.48249824       9.67274053       2.40014760       1.16313552       0.46830762
K        0.72981201       4.61787643       7.59436556      -1.44059274       0.02866346       0.27136202
K        3.01167201       0.34909454       0.81541943      -0.51079785       0.52009313       0.82406370
K        9.57507438      10.47693753      10.17458262      -0.11660933      -0.68500549      -1.19765524
K        5.44043390       4.98362249       6.16669238      -1.15426043      -0.30338237       0.94118653
K        5.78326943       6.96230194       9.36945637       0.08510073      -0.97382537       0.93755237
K        5.25457556       3.79970881       1.49944883       1.45059486       1.32975871      -2.49670158
Li       3.54965826       1.18330487       7.02696411      -0.83726776      -0.16437561       0.92432155
Li       8.01941198       4.56769757       9.09001199       2.13230329      -0.47646667       0.21308349
Li       7.28324162       9.93935716       5.77834554      -1.47747017      -0.95392842      -0.55217118
Li       0.23685323       2.80139713       2.63692195       1.07931789       0.11555522       0.73653601
Li       2.11275679       7.86514774       7.09257688      -1.03060464       0.54489379      -0.47594997
Li       3.95801043       8.48854915       5.27919504       1.25797768       0.99978740       0.88467327
Li       8.58063987       5.98273524       1.49354229      -1.09070517       0.68752055      -2.35825832
Li       2.00703724      10.13908999       9.06242322       0.36832946      -1.00152011      -0.49850051
Li       2.47829991       7.26428303       9.83127713       0.00912616       0.28190396       0.27402113
Li       8.29454128       3.18914585       2.91555459       0.34424881       0.39035739      -0.73641308
Li      10.12313272       2.72867088       0.13633421       0.06853527       0.59623345      -0.30426916
Li       5.23038333       9.91064690       8.05998872       0.27556070       0.38633896      -0.70069531
Li      10.13889773       5.28067968       4.88931015       1.04008666      -0.59084110       1.84719153
Li      10.43303903       7.56127613      10.60399752      -0.13804920      -0.70539387      -0.27678825
66
Lattice="11.9468 0.0 0.0 0.0 11.9468 0.0 0.0 0.0 11.9468" Properties=species:S:1:pos:R:3:forces:R:3 energy=-571.36525062 stress="-0.02414569507991163 0.0018563052483657862 -0.0006972638506247764 0.0018563052483657862 -0.031001976807774428 0.003033967115044299 -0.0006972638506247764 0.003033967115044299 -0.024759445909398207" free_energy=-571.36525062 pbc="T T T" config_type=melt 
Cl       1.45360300       2.33482286       1.93706610       0.25351790       0.60213737      -0.88509105
Cl       5.72103580       2.75192149       5.52502465       0.19490984       0.89020492       0.35784630
Cl       5.92319955       0.17107937       6.95596457       0.16712054      -0.80571991      -0.38401570
Cl       6.73118552       3.02528816       9.08179010      -0.25783673      -0.15795243       0.65303345
Cl       5.09128413       7.36891765       4.72274924      -0.13824596       0.30415035      -0.65214548
Cl       7.09613637       6.46297986       7.02657015       0.40275950       0.09894053       0.13919436
Cl       7.66497131       7.17634719      11.07531678      -0.68045117      -0.17746778      -0.95633347
Cl       5.90244795       9.82507221       0.94570152      -0.07080056      -1.06032204      -1.31643027
Cl       4.41918105      11.15930278       9.71216301      -0.20723517       0.33525622      -0.03690099
Cl       6.10691744       1.09880096       0.49791515      -0.14641969       0.64893986      -0.50871219
Cl      10.54033908       2.08857542       2.63502205      -1.14212913       0.71915817       0.15081105
Cl       9.53097784       1.43010364       6.84384385      -0.73200663       0.22561988       0.84893808
Cl       8.96743534       0.19304954      10.64254395      -0.14925960       0.28374652       0.77182198
Cl       8.86110882       5.34458018       1.55186543       0.11011905      -1.07010339       1.03002585
Cl       9.63933531       4.89228628       5.57590607      -1.64757237       0.65468138      -0.64072280
Cl      10.31037512       4.09434756       9.05286690       0.18242518       0.19253692       0.31372011
Cl      10.50011420       8.39871987       1.50667068      -0.47421757       0.29342152      -0.08698864
Cl       7.74892147       8.34763535       3.22066613       1.02340502      -3.04527385       1.55824477
Cl       8.48284923       9.86694575       7.38256090       1.73680810       0.30371200       0.64574643
Cl       7.88143537      11.69692670       3.73190554       0.20706665       0.25039373       0.21879216
Cl       0.24835964       8.82080031      10.30526189       0.18249196       0.47988799      -0.10016200
Cl       4.85532288       3.94931341       2.44867586       0.66004235       0.16273328      -0.09545988
Cl       0.21234601       6.63114302       7.16333712       0.93764039       0.71869446      -1.27105274
Cl       3.88632988       5.45581684       8.06689750      -0.17428407      -0.62466182       0.11415052
Cl       2.72169608       6.35035738       0.23963489      -0.75847154      -0.21443496      -1.85153193
Cl       2.54830023      11.03042071       0.49373496      -0.08575647       0.44378113      -0.14417472
Cl       2.09735631       6.41545549       3.41553039      -0.79349915       0.02398140      -0.62623316
Cl       0.83079481       3.17647492       5.89570996      -0.43520390       0.42077716       0.72705033
Cl       0.77129019      10.17180419       4.55144408      -0.43724734       1.90520669      -1.05417134
Cl       2.55698555       2.43621535      10.50661326       0.08983709       1.35371571      -0.59375808
Cl       3.44072619       9.58439198       7.23321395      -0.54144539       0.37022905       0.99156689
Cl       2.98103722       1.06952891       4.40666081       0.90230579      -1.54884222       1.03096511
Cl       1.13904614       0.11994587       7.91817178      -0.12888906      -0.11851644      -0.08045921
K        3.44923231       2.20368283       7.44266525      -0.09920156       0.43052875      -0.28061112
K       11.58851547       5.18100460       3.78410111       0.35143972      -0.34684001      -0.69988369
K        9.96549490      11.58963847       1.54528274       0.24381158      -0.55022893      -0.43296272
K       11.23388666       4.02757690      11.74912705       0.56602418      -0.37152269       0.65738325
K       10.38291609       8.90906327       4.68847387      -1.12561209      -0.78080861       0.27393021
K        3.79243998       5.00713087       5.08869167      -0.06438202      -1.04443982       0.35378843
K        2.27581761       8.37983198       5.25847959       1.02501069      -2.88910521       0.39974167
K       11.13506273       0.40845990       5.03622133       0.70580083       0.37661447      -0.49517662
K        8.15492152       2.83920481       0.17060867       0.41490999       0.09107870      -0.59823359
K        9.69957108       7.03093074       8.14821937      -0.98705965      -0.37132841       0.24918414
K        9.38744898       9.36153637      10.37274937      -0.13261509      -0.38833104       0.27235279
K        4.06991636       7.91054973       9.37429556       0.34441390       0.06092736       0.95875137
K        5.43578205       4.72751602      11.69143715      -0.33142950      -0.23545203      -0.67874850
K        0.81159988       6.13894681       9.79580255       0.59810333      -0.92097974       0.06660643
K        4.91721925      11.76339870       2.55058207      -1.04073540       0.62942456       1.13332046
K        1.32203289       8.72041135       1.50073312       0.28425314      -0.19524385      -0.04049825
K        7.82333809       2.94089597       3.83792145       0.42262018       0.75747544      -1.15739862
K        6.05739795       9.05373902       6.55943833       0.24026234       0.57226697      -0.00362445
K        4.53032213       6.91372068       2.02156582       1.15585309       0.48418003       0.44897002
Li       6.07417126      11.35981788      11.03228441       0.34198737      -0.31127972       0.92250723
Li       2.61284879       1.31844885       0.32897186       0.08111411      -0.16349531       1.13807893
Li       1.26589487       9.95187555       8.68658996       0.21864709      -0.07118973      -0.31854531
Li       1.54371771       2.47154204       4.09523163      -0.12336284       0.22048179      -1.00638592
Li       7.70219753       1.28913140       5.59719527      -1.15695861      -0.87480779       1.10338897
Li       8.29920302       7.32485786       1.12292394       0.41732112       0.89405281       0.37777845
Li       5.69222012       0.97540724       8.90503720       0.33910792       0.31404762       0.24688937
Li       9.25928371      11.77560236       8.60157653      -0.12203355       0.30975650      -1.42937765
Li       7.81168996       6.25802056       3.82888967      -0.11247603      -0.47109638       0.60752506
Li      10.58421967       3.45561190       6.76413480       0.54297181      -0.21202249       0.90833806
Li       6.11060900       4.69129332       7.69700068      -0.20963069      -0.38391424      -0.09199091
Li       7.29348556       9.95611666       2.46408723      -0.45290977       2.77044233      -0.83668107
Li       2.82343503      11.21300365       5.97081949      -0.40012607       1.01851752      -0.33734502
Li       2.38738878       0.52362824       9.77490760       0.01540261      -1.20632024       0.02136485
66
Lattice="12.2824 0.0 0.0 0.0 12.2824 0.0 0.0 0.0 12.2824" Properties=species:S:1:pos:R:3:forces:R:3 energy=-570.48597141 stress="-0.010343318080453169 -0.00041279731673388306 0.0008810586059451755 -0.00041279731673388306 -0.011905481344794319 0.0013811363561746961 0.0008810586059451755 0.0013811363561746961 -0.011742523611788807" free_energy=-570.48597141 pbc="T T T" config_type=melt 
Cl       8.16220751       5.86736389       3.39387277      -0.46278211      -0.04352777       0.78565026
Cl       1.87893699       9.16913094      11.81096464       0.00711362       0.18038969       0.21504460
Cl       4.19645391       2.25029535       3.05549265      -0.00053668      -0.54203828      -0.75185065
Cl       7.45082318       1.21645135       4.95731175       0.50893924      -0.07704559      -0.03005162
Cl      10.45713710       3.33666135       9.06503760      -0.53337948      -0.93172658      -1.10033434
Cl       7.40744175       1.91513322       8.27513189       1.29753837      -0.95263113      -0.19673808
Cl       4.69222071       0.48297836       7.95511396      -1.09852388      -0.31597277      -1.69494452
Cl      10.93463997       3.38442760       5.28845753      -0.21356686      -0.27870508      -0.27317111
Cl       5.83410315       2.73041437      11.92429435       0.70508959       0.41214023       0.65514209
Cl      10.93240457       1.36603625       1.53434197       0.56572587       0.00694946       0.25616579
Cl      10.53240365       8.71071493      10.76913463       0.35609374      -0.11366999       0.10612060
Cl       4.24484657       6.35218707       6.92679459      -0.24629210      -0.34884996       0.07397517
Cl       7.43495432       4.91095797       6.96988125       0.62627789       0.13286776      -0.49336151
Cl       6.31165515       6.45940014      11.65119518      -0.26814739       0.01544009       0.48098294
Cl       6.84528858      11.52776934       9.52813321      -0.79431916       0.41027372       0.23241534
Cl       5.50670350      10.38612026       0.20825423      -0.33772445      -0.63096179       0.86077333
Cl       7.43835655       8.26298460       8.70018891      -0.31380620       0.96407197       0.45737997
Cl       1.94173690      11.74406241       9.42240631      -0.02269057      -0.17960881       0.75008769
Cl       6.09194758       9.22824613       4.71073028      -0.30527541       0.39378658       0.05034329
Cl       1.35277125       8.65130496       8.24027444       0.41231861      -0.13037463      -0.55129020
Cl      10.87156984       4.28868246       0.26099732      -0.32750421       0.67068075      -0.49511315
Cl      11.02668427       6.95791819       7.40905074      -0.62514266      -0.31033114      -1.10538498
Cl      11.13844183      12.01831612       7.53214495      -0.34566564      -0.12486556      -0.12407022
Cl       1.99683574       9.57583805       3.51428942       0.24168258      -0.66913195      -0.30418596
Cl       2.06601022       5.14506051      10.82280871       0.26741112       0.91218243       0.75850318
Cl       1.78261841       0.33081048       4.57865764      -0.13702149       0.37717083       0.50284589
Cl       1.62777419       3.28353997       7.46645868      -0.87246439       0.29190405      -0.41364335
Cl       2.07667134       5.12576486       4.40064881       1.00169066       0.67698024      -0.20540818
Cl      11.30500346       6.98005107       2.34790358       1.77943297      -0.15136135       0.86876850
Cl       8.79499676      11.51833646       0.06640074       0.41936852      -0.19875073      -1.22280684
Cl       3.12442148       6.64614175       1.70141946       0.06177714      -0.12560149      -0.67726622
Cl       3.81491344       2.98466005       9.65010973      -0.52834825       0.38698665       0.38159000
Cl       9.22671083       9.98312244       2.77856138       0.24518607      -0.14839452       1.23450019
K        7.15738436      11.08863670       6.83251488      -0.54217521       0.08442534      -0.23730514
K       11.76395990      10.49209281       1.37035965       0.04320095      -0.05684750      -0.31998650
K        8.75318747       6.04656411       9.82373373      -0.18880760      -0.12733013      -0.31826050
K       11.81361764       5.48902912       9.75794920       0.45639257       0.78787729      -0.01523281
K        8.32496159       8.14719842       6.16437689       0.51862490      -0.86670386      -0.62438534
K        9.70788614       1.70555863      11.20328062      -0.29152683      -0.17266376       0.07992576
K       10.26578959       0.44896225       4.04323097       0.32528681      -0.17966443       0.52597486
K        8.94562811       7.39253091       1.15810258      -0.68924868       0.80770380      -0.95058618
K        2.80129610       3.07831335       0.63893536       0.14611476      -0.18381552      -0.28450754
K        7.26548177      12.11802464       2.21709602       0.06103570       0.10158172      -0.06909797
K        0.41124791       3.95200959       2.59143901      -1.11487164      -0.85095672      -0.72342417
K        5.00054579       6.64932289       3.96394808       0.01763559       0.18914350       0.26203170
K        4.70234140       0.28413122      10.95397246      -0.62213156       0.27202424      -0.15886955
K        5.07651244       3.72434302       5.11991844       0.67462106       0.25378190       1.20821771
K        8.10911069       3.75730898       1.53883733      -0.01047204      -0.41293603      -0.32860259
K        3.76530483       9.70081147       9.59934657       1.01324401      -0.75748017      -0.01168707
K        4.66925262      11.17487143       3.18795833      -1.07414855       0.30224753      -0.09489723
K        3.08244023      10.45520876       6.37893813      -0.00244731       0.07593279       0.01924675
K        0.03087832       8.92067027       5.41093763      -0.49473311      -0.11027409       0.54319022
Li       4.42662609       8.41809903       0.53495256      -0.26168471      -0.25383809      -0.12903529
Li       2.50056153       1.83753302       6.15353153       0.14837276      -0.81255636      -0.25846202
Li       0.53628520       0.75342452       8.85675266      -0.95688440       1.22116879      -0.81388619
Li       1.19546810       6.82485067       3.05127978       0.46437459       0.72145443      -0.16253843
Li       0.48624056       4.62099507       5.54754248      -0.60657341      -0.37235594       1.85823183
Li       3.24781047       4.65485765       8.26490065       0.00961646       0.55777735      -0.06958842
Li       0.17397037       9.75427676       9.69907966      -0.04943330      -0.02112838       0.32051181
Li       9.67996824       5.16006961       4.93309085      -0.52145064       0.26585285       0.36632099
Li       9.26027863       0.89443016       7.29920924      -0.00613738      -0.22361934       0.36278197
Li       8.75956203       3.04807408       7.30225527       0.55690836       2.35817857      -0.44025946
Li       5.81378806       2.58287818       9.33177448      -0.11863014       0.11239028       0.42648863
Li       4.55191885       5.01300015      11.39503345       0.16590814      -0.08988805      -0.39888042
Li       1.03836638       7.15573852      11.93647849       0.24400388      -0.31192552       0.17670563
Li       8.34326237      10.39893081       9.96107553       1.64356089      -1.86583182       1.22919709
66
Lattice="12.0688 0.0 0.0 0.0 12.0688 0.0 0.0 0.0 12.0688" Properties=species:S:1:pos:R:3:forces:R:3 energy=-573.17351387 stress="-0.007601196735675149 -0.00447893662086821 -0.0010940483197943317 -0.00447893662086821 -0.015238982508563141 -0.002055481322874138 -0.0010940483197943317 -0.002055481322874138 -0.010805604435393345" free_energy=-573.17351387 pbc="T T T" config_type=melt 
Cl       9.67739142      11.80247779      11.73428907       0.46100415       0.22307299       0.07649593
Cl       6.00035392       3.98858151       0.06416003       0.26255042       0.25221945       1.41320319
Cl       4.81868564       0.10369610       5.38015035       0.14893974      -0.23208467      -0.41531377
Cl       9.29715180       4.19685279       4.69995278      -0.35275144       0.83346903       0.22927701
Cl       6.99831092       2.87331577       8.42329827       0.02788881       0.40237397       0.32553055
Cl       9.83772543       5.47254908      10.62318707       0.26610118      -0.02531339       1.01656620
Cl       6.03896201       0.62737364      11.49337168       0.19756605      -0.36346466      -0.61593903
Cl       5.52983968       8.29983445       0.23747898       0.55176270      -0.10185197      -0.22975337
Cl       4.72833860       3.85413507       4.35721093      -0.30360255       0.98683411       0.02600102
Cl       7.47210787       7.42995155       3.69067525       0.53556547      -0.12722200      -0.86427152
Cl       6.81735133       6.10917828       6.81119624      -0.84007526      -0.09788812       0.86114956
Cl       4.66683600       8.91226570       4.38134853      -0.66750110      -0.55690132      -0.04665521
Cl       7.44191173      11.17801394       8.08277708       0.63651104       0.13707860       0.07645428
Cl       8.37258517       8.09531656       8.88305921      -0.81094108      -1.72394666      -0.77032151
Cl       7.62254546       0.52333334       2.89110518       3.16086982       1.26334742       1.52745950
Cl      11.92048652       0.00784750       2.86160903      -0.38281441      -0.88456316       0.76920078
Cl      10.28431930       1.44727843       5.65175870       0.52092121      -0.33642305       0.62950585
Cl      11.58960830       1.52969626       9.12910583      -1.33962887       0.08575795      -1.17079450
Cl       3.29096866      11.04769504       9.48643886       0.59744814      -0.58827053      -1.09908179
Cl       0.39419115       8.25031616      11.52592124       0.98290077      -0.45193600       0.10696184
Cl      11.25471116       6.43689448       3.18315807       0.39393430      -0.05265750       0.27389731
Cl       1.44595086       8.33560637       6.94584784       0.17592830      -0.48378652      -0.03265910
Cl       3.36858311       2.95385087      10.32330152       0.11122930       0.12641247      -0.44937715
Cl       1.42590458       0.48304406      11.39988676      -0.83295234       0.42160710      -0.24197977
Cl       2.83119565      10.40978655       0.98055379       0.20886022      -1.18618076       0.52771428
Cl       0.89202070       2.89718785       1.51219650      -0.51714563       1.02092753       0.34651250
Cl       3.31633728       6.25451077      10.52037296       0.47993638       0.71537058      -0.75172415
Cl      10.16666057       9.82749108       5.60154042       0.17048482      -0.63624107      -0.11250728
Cl       0.63284201       5.07010288       8.08595117      -0.74248231      -0.32471683      -0.29256006
Cl      10.90237462       9.63204894       9.23266821       0.54104445       0.88992898      -0.55724987
Cl       3.75257612       1.41184443       1.72552461       0.97803799       0.62498559      -0.65961919
Cl       2.43315456       2.52755672       6.75217981      -1.21342229      -0.52189379      -0.12358587
Cl       2.85241260       6.17121192       1.92012194       0.13533211       0.02510695       0.12853228
K        5.33228549       8.90618303       8.22553892      -0.26560226       0.16226481      -0.04485873
K        0.45728683       3.50867774       4.67277385      -0.47443574       0.36327187      -1.17292102
K        9.35080969       4.51466050       8.10606986      -0.39314497      -1.00449763      -0.05736329
K       10.30661037       2.47602294      11.57339990       0.04623605      -0.13948230       0.60426898
K        9.29809317       5.60498003       1.52127224      -0.95027182      -0.80155203       0.23660540
K        2.54677024       1.23741406       3.99494176      -0.11016276      -0.17057314       1.42718414
K        7.15808976      10.35937517       5.17895139      -0.40700098      -0.15516658      -0.22111704
K        3.77547064       4.80808923       7.61911792       0.48971770       0.15857822       0.75978245
K        6.79378096       5.85084562      10.40366766      -0.09753144       0.82480639      -0.76407326
K        0.86491659      11.11468895       7.33863901       0.00302289       0.37478046       0.09163239
K        9.61880946       6.67532569       6.50358667       0.63481633       1.19294315      -1.19244583
K        8.20840122       9.78079690      10.88757827      -1.39835139       0.26941454       0.53508560
K        3.02990845       6.40323460       5.09507323       0.25169809       0.39436400      -0.44473563
K        0.97558748       4.95225105      11.31515172      -0.27943615      -0.04045814       0.28401883
K        7.00271603       2.31921302       5.00916751       0.24445470      -0.43185926       0.34632941
K        0.71918703       8.64156252       3.37908297       1.01377917       1.20616933       0.15004901
K       10.23890441       8.62531792       1.10904789      -0.14206518       0.63744421       0.22390861
K        5.90656727      11.16781580       2.01464478      -2.89360072      -1.99778050      -1.24363474
K        4.76230020       1.20596760       7.86059047      -0.05133451      -0.54965336       0.88856216
Li       9.25708339       9.64988662       7.61566624      -0.09058299       0.32997759       0.30250742
Li       9.89694703      11.54811576       4.31620115       0.37011929       1.28093329      -0.71771700
Li       9.76760570      11.76469038       9.27633312       0.14881176       0.28670926       0.37649774
Li       1.54153576       0.65591031       1.61665197      -0.03117158      -0.11285849      -1.19771621
Li       7.05577048       5.53115518       4.77926894      -0.00423462      -0.31593103      -0.59988961
Li       5.70604416       2.65705494      10.43912580       0.03830844      -0.60786169       0.07958399
Li       1.86890196      10.31481716      10.96238069      -0.47839639       0.33162410       0.58575556
Li       0.75045005       7.87572475       9.23021824      -0.11942316      -0.02457761      -0.32703796
Li       3.05083575       7.79219658       0.14843900       0.03905919       0.38600339       0.00996442
Li       3.77277929       0.31137866      11.83913074      -0.15771972      -0.05834771      -0.42125193
Li       1.42518045       2.36970888       9.35863027       1.09210150      -0.15371450       0.11375850
Li       3.92850302       4.08956116       1.10164368      -0.14121605      -0.65309833       0.07015824
Li      11.51081110       2.80556152       7.00765217       0.25160909      -0.67302419       0.80600588
Li       5.01483984       6.99779196       1.97258502       0.32044816       0.37800114       0.61203459
66
Lattice="12.1548 0.0 0.0 0.0 12.1548 0.0 0.0 0.0 12.1548" Properties=species:S:1:pos:R:3:forces:R:3 energy=-571.1900179 stress="-0.008945391652790244 -0.0019950697373201866 -0.00028965481331782024 -0.0019950697373201866 -0.011915936234587704 0.0015432561915460952 -0.00028965481331782024 0.0015432561915460952 -0.01967103880486233" free_energy=-571.1900179 pbc="T T T" config_type=melt 
Cl       1.46885896       3.58424389       2.75348762       0.15558072      -1.49227804       0.88146230
Cl       6.67827254       2.85248846       4.01080444      -0.52773463      -0.70616136      -1.16082958
Cl       4.48097641       2.81355664      10.01646681      -0.40046806      -1.35136603      -0.81287819
Cl       5.94922763       7.21264617       2.65874095       0.12059519       0.13278693      -0.11254607
Cl      11.55152081       8.41863327      10.45070919       0.60013389      -1.15495086       0.26472967
Cl       4.61461844       5.10855305       5.08493627      -0.29531426       0.16695225       0.69003141
Cl       4.72825366       7.56590112       7.92186659      -0.36077945      -0.30098217       0.14278616
Cl       6.93961289       8.06333631      11.48549594      -0.70397923      -0.05490908       0.13225197
Cl       5.95926750      11.02676163       4.16713948      -0.67023035       0.27032421      -0.08856391
Cl       6.46592818      11.93886998       8.04178585      -0.24707793       0.46478109      -0.12850853
Cl      11.00150396       0.98775739       1.04680784       0.39876585      -0.26285654      -0.32272524
Cl      10.23972618       2.19559445       3.95708022       0.85887917       1.14875146      -0.40552041
Cl      10.01196953       1.48055188       7.00357145       0.16488175       0.63677420       0.88777744
Cl      11.03236499       3.84867156      11.95705356       0.71697706       0.48009074      -1.02424284
Cl      10.88176702       6.40810780       1.51854778       0.93392212       0.39543005       1.26931935
Cl       9.72106871       5.91959423       5.70100231       0.65867455      -0.35045045      -0.77620402
Cl       0.23738324       8.19243244       5.74845465      -0.62516069      -0.30645555      -0.04294283
Cl       8.27529171       5.62845031       8.62301623      -0.07691843      -0.81817509       0.38858252
Cl       8.86823932       9.28095555       2.84373701      -0.13348364       0.01204143       0.32638831
Cl       8.28609733       8.98780609       6.27648347       0.71324032       0.49005259       0.37070063
Cl       8.14062868       4.07270884       0.40531031      -1.52393974       0.18603470       0.11095239
Cl       5.23536408       0.42663105       0.62632469      -0.03405408       0.22215874       0.01600528
Cl       4.46038618       4.90290599       1.00492483      -0.14339689      -1.01808074      -1.14594379
Cl       2.56290035      10.00150425      11.80824234      -0.03596315      -0.21677556       0.66926870
Cl       2.05828168      12.11128642       4.77865962      -0.38918327       1.37850335      -0.44849798
Cl       2.19661546       3.20904952       6.39121263      -0.10682227      -0.15929897       0.47557589
Cl       0.56162347       1.31601235       9.35785897      -0.01593679      -0.17532232      -0.19323326
Cl       2.03499308       2.25968671      12.00516226       1.74568166      -0.88279349       1.19861536
Cl       2.19445190       7.62031816       3.13658260       0.62067346       0.00955876      -1.25006226
Cl       2.03195438       5.43178564       9.00471341      -0.24366802       0.01881220       0.11930202
Cl      12.01008374      10.71719103       2.75095942       0.76805932      -0.62050018      -0.33854381
Cl      10.28067570      11.08092342       9.70888960      -0.35539069       1.60677818      -3.73784083
Cl       1.71693843       9.72574830       8.26972481       0.40583757       0.57656414      -0.43062511
K       10.87651615       3.91470859       8.73925258       0.47332874       0.01460881      -0.00516416
K        2.82656228       0.06107252       7.51748855       0.28935425       0.86732759       0.08443322
K       10.17740852       7.64426311       7.81030984       0.38291681       0.69054940       0.99138392
K        9.33390186       6.68447149      11.35304508       0.29322870      -0.39603210      -0.31097688
K        7.90749962       3.72814457       6.14267128       0.40669157       0.00507543       1.02977983
K       10.12065776      10.50226986      11.98809449      -0.29097646      -1.04788306       3.57894393
K        1.49389785       5.30749066       0.68757637      -0.11541997       0.73363789      -1.29901497
K        7.77974051       0.98418023       2.10959924       0.61651465       0.35624510      -0.28474305
K        1.03550874       5.56682547       4.51351481      -0.55408613       0.79804418       1.27706859
K        4.41989854      10.54851887       9.48695510       0.56208121      -0.78807601       0.36284770
K        2.85076248       9.62120487       5.14609922       0.33369710      -1.26910496       0.23487918
K        5.66630035      10.03088240       1.29567737       0.13941014      -1.59962061       0.11838449
K        5.56637574       5.16408833       9.72760799       0.54885892       1.78303773       0.25822478
K       11.73376988      10.96811472       6.09431948      -0.26645903       0.35248294       0.46061130
K        8.38427165       1.98987446       9.73215388      -0.09915976      -0.73519602       0.00273585
K        4.08453546       1.44469522       3.30695644       0.34630650       0.45362427       0.34158948
K        5.88844148       7.79219918       5.38701951      -0.81426205      -0.89986159       0.72652996
K        8.74782171       0.00935920       5.00956436      -0.63682315      -0.51219030       0.29159275
K        8.57229425       5.74546457       3.12711402      -0.36071477      -0.39184680      -0.51795800
Li       1.14644560       0.46790024       1.95827198      -1.27558247       0.08963761       0.83877899
Li       4.80835380       2.35517482      12.13834313      -0.48870314       1.21404506      -0.20792910
Li       0.95797327       8.75391127       1.35966024      -0.17468847       0.35217270       0.35368529
Li       1.88604816      12.04512724      11.85291123      -0.10468009       0.35490886      -1.07201576
Li       0.05323802       2.08892393      11.64378790      -1.37649788      -0.36581693      -0.63030654
Li       2.11903137       2.74813951       8.90228491       0.44896325       0.92153650       0.16176392
Li       6.47628407       5.85892962       0.78152204       0.17030848       0.32743378      -0.11841484
Li       0.44802593       2.73938805       5.13052893      -0.52092552      -0.83561472      -0.37704909
Li       4.05792860       5.48589881       2.98895040       0.18010029       0.77262871       0.48487295
Li       7.25795926       9.35423684       4.53051938       0.88540237       0.66979096      -1.57379067
Li       3.69606805       5.38805267       7.26651624      -0.31875452       0.35141028      -0.26572858
Li       1.17249820       7.83831450       9.18246521       0.15427067      -0.35251746       0.22510527
Li      10.17830797       8.05276163       4.66395477       0.06336223       0.21868603      -0.14544622
Li      11.42963248       3.57257528       2.22965220      -0.86946353      -0.45816184      -0.53871430
66
Lattice="12.1455 0.0 0.0 0.0 12.1455 0.0 0.0 0.0 12.1455" Properties=species:S:1:pos:R:3:forces:R:3 energy=-569.22186615 stress="-0.01982617221947669 -0.003827245542341146 -0.0018938519452898512 -0.003827245542341146 -0.02365622550469812 -0.003667854725695421 -0.0018938519452898512 -0.003667854725695421 -0.021843172703721932" free_energy=-569.22186615 pbc="T T T" config_type=melt 
Cl       2.65694958       2.35130807       0.57953954      -0.11301466      -0.32390618       0.61957266
Cl       5.50957531       0.46035332      11.46830336       0.27487082      -0.09373411       0.26423416
Cl       5.94591454       7.41851998       3.13236089       1.65117958      -0.05821443       0.43122030
Cl       9.83734489      10.81691590       9.12414898       0.16335299      -0.15537978      -0.08269490
Cl       7.73532320       4.50796022       0.39871976      -0.05570692       0.14352189       0.05237846
Cl       4.08657209       4.96133959       5.09982258       0.51299674      -0.20018852       0.18692297
Cl       4.14416606       6.20292547       8.98833800       0.00372174       1.66446299      -0.38813236
Cl       5.51884233      10.65574512       4.41598235       0.70672045       0.35604395      -0.33629694
Cl       7.26887528       8.78582394      11.66196335      -0.39998684      -0.20927655       0.05583874
Cl      11.07905223       0.58223098       0.18931434      -0.12852649       0.07699852       0.39859432
Cl      10.71152940       2.19284573       2.99956199      -0.54778685      -1.01818217       2.01504731
Cl      10.62223568       1.92349498       6.77048468      -2.32349158      -1.95338660       0.27981702
Cl       0.04311653       6.26224409       2.06078771      -1.19729515      -0.44072227       0.09413434
Cl      10.13596630       5.53135219       5.29404127       0.46087948       0.31180631       1.31905740
Cl       8.48842922       4.98812041       8.67508127      -2.02719560       1.41611877       1.39881034
Cl      12.11484476       7.49210957      10.57059302      -0.28405404       0.61603153      -0.42114608
Cl      11.53445990       3.88411875      11.01751098      -0.35242798       0.46078772       1.09115660
Cl      11.41339355      10.11625415       2.75514595       0.53099152      -0.00069339      -0.18764898
Cl       8.89401605       7.99546767       2.46518428       0.37239875       1.72697103       0.04277313
Cl       9.05808961       9.21822803       5.59335497      -1.27980655       0.70891253      -0.45763151
Cl       5.96931892       1.17877786       6.76421761      -0.94866722      -0.32150723       0.91333261
Cl       7.19515209       3.40082502       3.87707436      -0.67648903      -1.06517844      -0.30325084
Cl       4.23703055       5.23076321       0.67777598       1.73230584       0.57492598      -0.82741531
Cl      12.07549382       8.43849907       5.60473530       1.90601669       0.54700433       0.84486558
Cl       3.28759252       7.52355427       2.60129890      -2.67034883       0.64033614      -0.23785014
Cl       1.19482206       0.16723017       4.51988710       0.59935268      -0.10732376      -0.43161225
Cl       0.93025057       1.68177524       9.73212842       0.75123880      -1.86679730      -0.27861283
Cl       1.74144608       3.73408539       3.56908878       0.18954595      -1.10325927      -1.34751715
Cl       2.29921602      10.85274513       0.35173125       0.17550659       0.24586843       0.03139502
Cl       0.97418934       3.25094955       6.53851778       2.21978060      -0.21621671       0.89791378
Cl       2.36723082      10.04701266       7.79838264       0.36940300      -0.38452152       0.09222828
Cl       1.46353275       5.96280893       7.66970107      -0.63590727      -1.63736120       0.39792247
Cl       4.27511884       2.97574466       9.06657931      -1.19032851      -0.74571357      -0.22419086
K        7.89258314       0.90872510       2.18925067       0.10473281       0.67282893      -0.01426887
K        8.91706821       0.76251635      10.40090823      -0.45015732       1.40777887       0.02610378
K        8.91834349       5.44435398       3.07861705      -0.70792035      -1.18712849      -1.31802488
K       10.72476799       4.39880861       7.81533776       2.65805606       0.27225437       0.34850032
K        2.58752590       0.70566448       6.95969943      -0.08446850      -0.00189189       1.08004596
K        9.62080277       6.98160991       0.04797473       0.72682804      -0.98051967      -0.96355449
K        9.77652023      10.18403819       0.31737285       0.57507835      -0.37951460      -0.14579135
K        8.07792347      12.13539494       5.74650972       1.04257974      -0.45076114      -0.16511478
K        9.43871743       8.33492225       8.18167033       0.30865328      -1.41984389       0.38544037
K        1.76729171       5.76806799      12.00135113      -1.24216486       0.28820900      -0.56420551
K       11.51312025      11.17456444       6.69515829       0.24291934      -0.07653360      -0.05036327
K        4.83056899       9.86485445       1.58038461      -0.00982641      -0.01854072       0.14577097
K        4.12593566       2.04145208       4.88617109      -0.27711234       0.25062243      -1.16305530
K        6.01690499       4.72727151      10.07129151       1.68249017       0.21281795       0.89381461
K        0.88602516       5.84617570       5.05687609       0.22660607      -0.03936317      -0.76318666
K        7.39192134       3.53299235       6.68683863       0.19160786       0.12478028      -0.53353821
K        2.84470686       9.51862268       4.65940246      -0.62917873       0.26828090       0.45288104
K        5.46519565       7.11878119       6.02799383       0.38665607       0.57511257       0.25396104
K        4.83024106       9.71230697      10.55922483      -0.65247496       0.11820666      -0.76481067
Li       7.41231363       9.27251841       3.66783169       0.01427111      -0.74699109       0.44031416
Li       1.01336101      12.12742154       2.07094135      -0.51429434      -0.42321542       0.22965364
Li      11.65609586       2.68858861       5.09756351       0.16900788      -0.05131466      -1.22565021
Li       4.23880379       3.39727853      11.78832514       0.35425174      -0.88031734      -0.81727612
Li       6.04820394       6.51711741       1.03882162       0.64421589      -0.08279133       0.28908360
Li       3.54723902       4.30363647       2.38289852      -0.68798305      -0.18947241       1.45147830
Li       1.94064443       7.74178461       8.30059907       0.21630768       1.88916787       1.00720402
Li      10.56903839       7.93801945       4.37285367      -1.36535034      -0.20664856      -0.94269132
Li       1.64759780       3.49247496       8.99115576       0.04181968       0.74285384      -0.52422066
Li       3.65262552       4.38146483       7.15380881      -0.63975767       0.44762085       0.67629922
Li       3.11134917       0.59187694      11.32123350      -0.13066923      -0.12414749      -0.13988340
Li      10.75984420       3.20557396       1.36426758       0.28463609       1.29335688      -2.42610839
Li       0.72132975       8.14185738       2.72192801       0.28582829       0.75195023      -0.23176880
Li       0.62616854       1.99044098      11.95235011      -0.55441678       0.35492672      -0.83025349
66
Lattice="12.1244 0.0 0.0 0.0 12.1244 0.0 0.0 0.0 12.1244" Properties=species:S:1:pos:R:3:forces:R:3 energy=-573.62681447 stress="-0.012149177685716486 0.0015173841625438853 0.002341044951790124 0.0015173841625438853 -0.011935151020024173 0.0007091478962117684 0.002341044951790124 0.0007091478962117684 -0.010346329614847917" free_energy=-573.62681447 pbc="T T T" config_type=melt 
Cl      11.00138957      12.07776956      11.28850749      -1.71724842       0.31868386      -0.05903476
Cl       9.45288546       7.50037208       2.10456548       0.00932507      -0.51980612       1.11217912
Cl       2.18307097       9.51781162      10.98856196       0.11988016      -0.46865396      -0.46424112
Cl      10.54354798       3.08927287       9.96152828      -0.12251191      -0.37649070      -0.22989780
Cl       9.47434564       1.52516465       6.22048404      -0.31492837      -0.50870024      -0.11584044
Cl       4.76634413       1.76334849       1.08220576      -0.74653137       0.45814764      -1.41971545
Cl       5.21824476       1.19856969       4.27939185       0.71460466      -0.08832586       1.22674859
Cl       5.93235980       2.93900306       8.65908886      -1.20377289       0.47952883       0.36860898
Cl      10.43999348       1.58521680       2.62810919      -1.13189036      -0.29423054      -0.48268476
Cl       5.22273079       5.25783093       2.02911534      -0.29875888      -0.07772379      -0.94217872
Cl       6.89378835       5.91821063       4.52080078       0.71168884       1.26610096       0.42826665
Cl       9.14399212       8.85569813       6.23116564       0.36630009       0.25980220      -0.09396243
Cl       7.63192182       7.21685511      11.04743805      -0.14956489       1.51362054       0.40808836
Cl       4.34561532       7.05689790       9.81764803       0.04184092      -0.31969337      -0.16170496
Cl       7.86609248      10.63947623       8.59849111      -1.90679960      -0.08395303       0.57626058
Cl       6.20338864      10.81844450       0.53367487       0.07911778       0.24994731      -0.77358846
Cl       5.33078345       9.38131512       3.28800391      -0.12028799      -0.20215079      -0.19450402
Cl       9.01163004       4.18487003       0.58387837      -0.73614399      -0.37112205       0.07176449
Cl       0.73981513      10.09557565       6.92415997      -0.52408759       0.05598564       0.13644529
Cl       1.90108167       4.04865239      10.43370092       1.44600063       0.16542885       0.54338379
Cl       1.69353619       0.09601458       0.89163080      -0.04573712       0.63694640       0.92419436
Cl       1.04990757       1.17094788       4.26661273       0.38719809       0.46190760       0.35066355
Cl       2.28506142       3.17733239       7.09563536      -0.39564751       0.57012034      -0.06533242
Cl      10.55907934      10.26486865       3.65676754       0.32186481       0.65724738       0.36759989
Cl       2.84823980       0.36509478       9.99334271       0.32483043       0.63013313      -0.10968668
Cl      11.89963787       4.48551878       2.30692171       0.37610801      -0.29034993      -0.11789185
Cl       4.55678600       9.67030020       6.35773225      -0.10108040       1.09112713       0.78537588
Cl       2.21443679       7.70413475       2.74072062      -0.19039354      -0.82921832      -0.12157234
Cl       9.54246052       5.64087710       7.37495729      -1.60974655       1.16660597       0.22720726
Cl      11.46690591       6.76530608       4.65304161       0.21642586      -0.16656795       1.30934789
Cl       0.87561689       6.60287549       8.40480382      -0.62161852      -0.84764322       0.39768053
Cl       3.28894961       6.76550007       6.48486871       0.40606323      -0.89993710      -0.31959752
Cl      11.53338400       7.80305773      11.81891362       0.14202576      -0.07940542      -0.18995641
K       11.08923085       3.84673264       6.51498572       1.48283249      -1.00723787      -0.52142789
K        8.50542422       3.86906578       3.74088662       0.79564780      -0.51272144      -0.58859709
K        9.87469333       5.97873563      10.15554293       0.58977672      -0.70555455       0.71386725
K       10.27846010      11.39699662       8.44539631       1.88094578       0.99238562      -0.58706911
K        4.96653010      10.11980020       9.62802241       0.08731163       0.24726402      -0.07431591
K       10.84676710       8.42352390       8.86331226       0.09469222       0.06334091       0.04274482
K        9.28609008       9.91109078       0.69883829       0.06438240       0.03219187      -0.16732839
K        6.75118115       8.06607233       7.19357626      -0.64374298      -0.76590417       0.35207109
K        4.38641393       8.38719919       0.37166742       0.36693678      -0.43626312       0.95041581
K        6.36626783       4.90760551      11.04827463      -0.87520468      -1.07939510       0.15519478
K        3.52210183       2.98114747       3.25076988      -0.24299973       0.33458402      -0.17750080
K        3.87307896       0.75381153       7.14717618      -0.13431565      -0.38129933      -0.05659430
K        7.89925271       1.60228796       9.64687586       1.06955272      -0.98619570       0.45424949
K        6.05146991       3.92378320       6.16730642      -0.46330891      -0.11206962      -0.21050849
K        7.15491155       1.02554601       2.18898767       0.56123003      -0.15139268      -0.42140064
K        1.53960481      10.33074051       3.51920410       0.01598909       0.52339233       0.10814431
K        1.68181190       5.58803896       0.53717154       0.25762616       1.28453315       0.05800174
K        7.31264999      11.28719806       4.78971997       0.02602822      -0.85110202       0.45846821
K        1.52872922       4.78271207       4.56535795       0.38651379       0.74460243       0.84713416
Li       2.86558982       2.47694217      11.48212203       0.66639558      -1.63823301       0.00018963
Li      11.27239416       8.89336864       5.80122229       0.43586026       0.06514583      -0.78653293
Li       0.31694637       3.83158926       9.25807060      -0.47161879       0.02338330      -1.09689797
Li       3.91568410       7.99537496       4.67980016       0.37540738       0.34071577      -0.22438550
Li      11.84576916       6.91242355       2.57494370      -0.24682440       0.48511236      -0.95782514
Li       3.14840357       5.45009967       8.64687959      -0.43430488      -0.08587503      -0.54346035
Li       3.92297086      11.68525423       0.61040898       0.16011802       0.38843843      -0.13447748
Li       2.43117256       8.15059153       8.81051049       0.02222806       0.27548633      -0.06079834
Li       0.78110598      11.33084590      11.12788344       1.63790202      -0.31542143      -0.03132585
Li      11.09092827       0.24413449       4.94852536      -0.03055325      -0.08841798      -0.62239956
Li       7.81988639       6.32099532       1.44507086      -0.51993762      -0.25257043      -0.32707245
Li      10.32745480       2.02228930       0.17150449       0.12951324       0.36083694       0.10062151
Li       9.24015073       7.00047094       4.74622975      -0.55681399       0.33307308      -0.13899802
Li       0.41405432       2.27394334       2.33312254      -0.21378998      -0.68219430       0.11538833
66
Lattice="12.3353 0.0 0.0 0.0 12.3353 0.0 0.0 0.0 12.3353" Properties=species:S:1:pos:R:3:forces:R:3 energy=-570.23198317 stress="-0.012801849367742318 0.0016135665234642777 -0.00043831419138381177 0.0016135665234642777 -0.013248172956987391 -0.002020065502131686 -0.00043831419138381177 -0.002020065502131686 -0.012087365517997703" free_energy=-570.23198317 pbc="T T T" config_type=melt 
Cl       7.37354893       5.86222797       4.62966013      -0.46393830      -0.11192958       0.67406095
Cl       5.31382520       2.18276834       2.97568142       0.15039141      -0.33907678      -0.00452364
Cl       7.54489858       3.83144286       7.49448421      -1.23287089      -0.40361747       0.50943952
Cl       6.74177187       1.43807394      10.23031806      -0.42880364      -0.71969982       0.26319272
Cl       4.16365716       5.50441792       1.82057926      -0.70815539       0.24100524      -0.26172252
Cl       7.57536677       6.02823644       1.12952615       0.36220280       0.31832768       0.08650710
Cl       6.38325871       5.93316828      10.44456989      -1.61303741      -1.08812321       0.43956991
Cl       4.57733378       9.17283746       0.45395261       0.51524728      -0.70586364      -0.00687131
Cl       7.10975854      10.01757114       4.36622746       0.21284926       0.12118387       0.24186342
Cl       1.53005828       9.42141843      12.09215890       0.61736012      -0.29927375       1.84613722
Cl       4.33286047      11.51919655       8.09282027      -0.01748860      -0.11832749      -2.38364501
Cl       9.86615533       0.87920221       2.07321854       0.91805904       0.36288524      -0.29794538
Cl       9.06846849       1.85578421       5.36327742      -0.03024966       0.45473372       0.36592672
Cl      10.38839493       2.88204416       8.83805742       0.62078461       0.77494208      -1.84335080
Cl       9.42113472      12.31588757       8.75000805      -0.12097651      -1.20323890       1.25981533
Cl      10.71694565       5.48169630       5.18733904      -0.33429114       0.25613424       0.36520823
Cl       9.52301196       6.28192422       8.73916532      -1.14893676       0.42154285      -0.76318927
Cl       8.41431519      10.39371144       0.14481642      -0.88441851       0.96512242      -0.03808350
Cl      11.41196579       9.65583847       5.69191448       0.42269654      -0.78906883      -0.40895409
Cl       7.29359151       9.41742179       8.30026301      -0.70620617      -0.20030399       0.53171877
Cl       0.66449274      11.80553587       9.89326832      -0.66789169      -0.01545440      -1.12889376
Cl      10.53643087       8.36615818      11.30251467       0.72659020      -0.21939084      -1.09079157
Cl       0.35841078       3.62504862      11.04483026      -0.54860765      -0.85455130       0.54684570
Cl       0.34060600       8.02334786       2.86431834       0.56471157      -0.07728912      -0.71772456
Cl       1.21532433       8.28163671       8.65855413       0.51921861       0.46934813      -0.67537234
Cl       0.23427078       4.42116888       2.66282121       0.15938446       0.73816460      -0.31397675
Cl       3.19516342       9.76644910       4.01259908      -0.04597196       0.11568492       0.37240969
Cl       1.94789189       0.38949820       0.09377344       0.82165724       0.26423355       1.18907253
Cl       0.98744940       0.95859467       4.59221015       0.11813026      -0.49137853       0.14828188
Cl       2.36889568       6.07270520      10.75946543       0.86073870       0.00357313       0.17321149
Cl       3.89286032       2.94930855       8.50789078       0.81312104      -0.52063147       0.40876488
Cl       1.06773740       3.41364625       7.05178263      -0.56996876       0.54668824       0.06939589
Cl       3.89776977       5.58571989       6.67521059       0.52119741       1.44190217       0.36113297
K        3.32236503       3.41654505      12.19496129      -0.14421262       0.02745384       0.21998893
K        9.24692327       2.24017683      10.98441196      -0.20471836      -0.17570604       2.19059927
K        8.98954724       4.31799644       2.81405199       0.56112780      -0.66501407       0.16197025
K        3.71209883       9.93884726      10.09344557      -0.61921723      -1.02431576       1.61766756
K        3.50429837       0.63801255      10.15971080      -0.27113556       0.83953194       0.39015428
K        9.59770220       5.52499321      11.48632298       0.18154694       0.25668503       0.12840357
K       10.17783136       8.74253286       1.60238014      -0.41545236      -0.11350867       0.96156010
K        8.91570813       8.24148531       6.35599770       0.27188576      -0.37084797      -0.47755496
K       10.74692042      12.04847960       6.44598371       0.83751055       1.11228655      -0.75566717
K        3.32343820       3.65446831       4.94606057      -1.07726682      -1.33994615      -1.19386458
K       12.00714401       5.58505378       8.89780961       1.53360520      -0.24235509       0.00557587
K        4.21175250       8.40569282       7.65227737       0.56893324      -0.40929546      -0.44741449
K        0.19896099       1.88743659       1.66685675      -0.04336903       0.21497534       0.09699800
K        7.34942108       0.55898769       1.39927943      -0.49707927       0.36301459      -0.21964248
K        5.42021717      11.06390063       2.29224413      -0.47160721       0.29952063       0.64865744
K        0.93533892       7.47820161       5.65666020      -0.01070475      -0.47268443      -0.09990143
K        0.54651547      11.23018047       2.49982256      -0.13775135      -0.25919327       0.21869692
K        5.77658398       7.57874664       3.08864810      -0.12230742       0.25583106      -0.34755749
K        6.99879018      12.31870902       6.87343886      -0.65610087      -0.93271521      -0.65393392
Li       0.37606136       9.52080394      10.49519396      -1.41563457      -0.16952999      -1.33416923
Li       2.66917389       9.26276180       1.74374268      -0.24116053      -0.50622866      -0.08572384
Li       6.08018039       3.11806779       9.14671130      -0.48922871       1.16020700      -0.33597639
Li       2.94040247       4.87306027       8.77492536      -0.33124026       0.22811761      -0.06888725
Li       9.40967522      11.32054888      10.73428908      -0.07257443      -1.09397784       0.05607488
Li       2.34650711      11.01591631       6.41688474      -0.09106366       0.52266947      -0.38665369
Li       4.29687840       6.73844134      12.07472912       0.24391507      -0.11484546       0.09647659
Li      11.90954712       1.49521105       9.81138660       0.90031451       0.29615563      -0.21436236
Li       7.68221514       7.10103748       9.49657741       0.64168048       1.56728055      -0.75910193
Li       8.39950050       1.64890889       8.04310901       0.48218029       1.81496423      -0.21453601
Li      11.14558499       3.56683834       6.12986698       0.77252086      -0.74256970       0.22603999
Li       1.00376777       6.18884205       1.34786590       0.05338204      -0.01354706       0.36242807
Li       5.92036424       4.62198757       5.91371551       0.27234746       0.28895277       0.33804862
Li       8.68838089       4.57611259       5.83472025       0.58834729       0.06038163      -0.04190354
66
Lattice="12.1071 0.0 0.0 0.0 12.1071 0.0 0.0 0.0 12.1071" Properties=species:S:1:pos:R:3:forces:R:3 energy=-573.52177649 stress="-0.014187310428141283 -0.00014660080352609276 0.00021894984326062639 -0.00014660080352609276 -0.017043153305011702 -0.003601682564259772 0.00021894984326062639 -0.003601682564259772 -0.02242803974511722" free_energy=-573.52177649 pbc="T T T" config_type=melt 
Cl      11.18589498      10.64741960      10.10211581       0.22261056       1.08015456       0.90391691
Cl       3.19001503      11.90687278       9.00975271      -0.37609552       0.84958802      -0.12523358
Cl       2.74497014       9.55149701      11.35997086      -0.23194574      -0.87412172      -0.13107289
Cl       6.53092085      11.23811290      12.06861153      -0.37803248      -0.17805713       0.14440139
Cl       5.39115845       2.79682485       4.60752640      -0.24899816      -1.15176056      -0.10052617
Cl       7.64834564      11.54581484       8.35483125       0.24023698       0.25515742       0.25172747
Cl      11.37150893       7.72170256       1.19244281       1.16526054       0.50758255      -0.13701064
Cl      11.84012634       6.08788574       9.88297730       0.88694526       0.70890998       1.13521331
Cl       7.35870749       3.26178592      12.09970256       0.75378396       1.04213807       2.70557830
Cl       4.43627147       5.24365765       1.56862009       0.45714305       0.15067799      -0.30050283
Cl       7.93496913       5.58275331       5.00416711      -0.64282842      -1.32992914       0.38204856
Cl       9.71764274       8.11167225       6.33059677       0.67150759       1.02040499      -1.05285296
Cl       4.83459506       5.90500799       5.38402737      -0.31001025       0.03671325       0.74096285
Cl       8.51361586       4.91653592       8.88126006       0.22940903      -0.25987521       0.09549644
Cl       4.35660676       9.39271239       6.65162863       0.16686729       0.51435934      -0.14067212
Cl       4.10539654       3.39951629       9.42044976      -0.13050352      -0.52361975      -0.83649558
Cl       0.52409214      10.11186203       7.20178736       1.27958537       0.76529365       1.56987757
Cl       3.71790880       8.77621886       3.26459477      -1.32454677       0.76768083      -0.46482307
Cl       7.22651006       9.33112358       3.45267856      -0.53540867      -0.20082132       0.14148164
Cl       1.35074072      11.73795452       1.15288407      -1.31080243       0.31923451       1.07729481
Cl      10.75591132       1.37656516       1.15015513      -1.69732222       0.27754566      -0.83736763
Cl      11.93078430      10.46541356       3.78078097      -0.03142479       0.05640453      -0.28001096
Cl       3.74341846       1.91550061       0.54344292       0.16041704      -0.90770806      -0.13969722
Cl       3.99793392       6.69269592       8.86914085      -0.84009255       0.27621275      -0.01550010
Cl       0.93052144       1.60117608       5.06774149      -0.52303844      -0.58128624      -0.24967617
Cl       0.25866456       4.76875666       7.06689006       1.61199013      -1.19531118       0.96783300
Cl       0.83481844       7.31184090       4.98570378       0.20439151       0.82523849       0.30535300
Cl       7.86907018       8.10965036      10.74104380      -0.36518116      -0.30778695      -0.46304470
Cl       8.68912038       0.48687855       4.03046570       1.06437165       0.37074640       0.62439645
Cl       0.35489663       4.13285544       2.71326165      -0.26421815      -0.29567776      -0.52856735
Cl       1.17210167       3.24829861      11.03077881      -0.68143730       0.52087751       0.42577382
Cl       8.72381933       6.67270709       2.14490594      -0.35365598      -0.87960584       0.11557856
Cl      10.50971344       2.33650080       9.71723110      -0.37474676      -0.48115150      -0.57010021
K        7.13205047      10.54760866       5.91848319       0.13206474       0.07053880      -0.35889330
K        5.12156966       9.39423789       9.49571960       0.61557713       0.60732783       0.47072843
K        8.89612758       3.77689459       2.32372781      -0.20835313      -0.59758872       0.93446180
K       10.50179540       0.93114980       6.50587126      -0.18401571      -0.24434553       0.32960860
K       10.72798024       5.59126460       5.26442133       0.10573742      -0.39030052      -0.98020185
K        7.36385300       1.60748388      10.28781451      -0.08037942      -1.94370335      -1.65139571
K        5.95497399       5.03378107      10.72528036      -0.20556528       1.28406746       0.00098965
K        7.56146509       7.24108701       7.61899803      -1.35074960      -0.14906784       0.56762297
K        6.79851197       3.55173886       7.06157504      -0.28377858      -0.03142167      -0.08745847
K        6.40654461       0.48911231       2.57626981      -0.51955316       0.01375337      -0.84865371
K        2.98665207      11.49159925       4.67717855      -0.37747106      -0.82343679       0.20068003
K        8.90983282       9.31198225       1.20062236       0.03700918       0.60626585      -0.72186941
K        2.63618785       5.67850836       3.59816958      -0.55201745       0.32676700       0.47676777
K        1.65964127       6.36136091       0.35072332       0.22653267      -0.27298254      -0.34853244
K       10.63327850       8.36004941       8.90314970      -0.47357586      -0.29304420       0.33177086
K        2.52085561       2.41886540       7.12201368       0.44273190       0.41313790       0.39761472
K        2.87262740       2.25221117       3.16362155       0.13649526       0.62797709      -0.45697673
K        4.93768702       8.43054905       0.88555083       1.24179699      -0.20467038      -0.48416157
K       10.38151136       5.00116455       0.22747304       0.10270326       0.21801239      -0.80425140
Li      11.35055154       4.28599815       8.96648194      -0.75326866      -0.78512054      -0.12655757
Li      11.85110748       9.33000972       5.56330931      -0.70149507      -1.55103346      -0.96897498
Li       9.04419741       7.27570121       4.37458580      -0.71041478       1.09218178      -1.13896611
Li       0.61400552       1.95172506       1.14579052       1.26496441       0.79989484      -0.52123752
Li      11.25410638       0.13642401       2.77279226      -0.20756498      -0.08620396       0.62960764
Li       4.58336063       8.00456074       4.95299040       0.58830651      -0.16724055       0.40055988
Li       1.11168482      11.20394666       9.39021833       0.12075009      -0.71133719      -0.20793117
Li       2.52333757       8.40105615       7.49314473      -0.23496658      -0.24744578      -0.11352282
Li       3.13956474      11.43358203       0.27691238       1.57781790       0.63624907      -0.71104150
Li       0.61852147       9.42190261       1.86494136       0.02475587       0.06411837      -0.04120831
Li       1.78250412       5.33700339       8.97602233       0.34517606      -0.00026893      -0.00245805
Li       2.47361371       1.87949410      10.10475516       1.30808845      -0.34065252       0.49064506
Li      11.09115692       0.55493861      10.86394297      -0.29520690       0.34407707       0.55896192
Li       5.64337356       4.76846608       3.66406853       0.37363775       0.55728754      -0.42950663
66
Lattice="10.8408 0.0 0.0 0.0 10.8408 0.0 0.0 0.0 10.8408" Properties=species:S:1:pos:R:3:forces:R:3 energy=-560.54902763 stress="-0.09984267754458048 -0.0007041750112647756 0.002295708102495862 -0.0007041750112647756 -0.08279314715862318 0.004151616022632204 0.002295708102495862 0.004151616022632204 -0.0969128265786763" free_energy=-560.54902763 pbc="T T T" config_type=melt 
Cl       2.58221352       3.26182327       1.76505569       0.56205826      -1.12792952      -1.60955849
Cl       5.53668926       1.07798313       5.43166359       0.90953537      -0.03426498       3.27098950
Cl       4.69083584       1.40687566       8.98250259      -0.82938413      -0.14980769       1.24744667
Cl       6.39955190       6.65935167       1.31544435       0.97212785      -1.32830440       0.79494840
Cl       5.96902037       4.46391622       8.31236769       1.83786451      -3.45617398       2.55672990
Cl       5.25011271       9.53131809       3.65158255       1.83755556       1.34746112      -1.33938051
Cl       5.59760372       7.80154920       6.37857495       0.92607627       0.84734366       0.24677043
Cl       4.12185645       9.33535979      10.00581990      -0.05335539      -0.48826986       1.10723907
Cl       7.06575158       9.55363929       9.03482029      -0.48517839       1.20908569       0.27583841
Cl       6.11271517       1.11027137       0.99096186       0.34505015       0.24637239       0.08224943
Cl       9.76142491       1.22198582       1.92643184      -0.24056098      -1.12385041       0.22651946
Cl       9.98783502       0.18928254       7.91494397      -1.36033636      -0.43526347       0.16141714
Cl      10.39692344       3.22845528       8.55049671      -0.10395869      -0.64851688       0.61411558
Cl       8.37379167       3.42543262       0.52716100       0.15966625       0.26881069       0.85399916
Cl       8.62539579       4.92998389       3.82013531       1.68261974      -0.89944254      -1.84796656
Cl       9.07902907       5.94287236       7.85379101      -0.44450612      -3.28299316      -0.67096979
Cl       8.64398777       7.11144555      10.55179511       0.07441584       0.27121077      -2.53270477
Cl       9.30123295       7.97103426       2.24173651       0.17874834      -0.12489276       1.64820554
Cl       8.63980322       9.58905619       4.96324346      -1.18293327       0.42184780       0.47146549
Cl       9.21064722       2.25150407       5.63744366      -0.19922171      -0.01553511      -0.05721429
Cl       0.85097678       8.17109039       9.18769725       0.31973648      -0.12752257      -0.69845409
Cl       5.51166870       4.72072393       3.42618064       1.24533024      -1.07385512       0.24250715
Cl       0.25838505       6.55787094       5.61660764      -0.35986800      -1.12216532       1.08267479
Cl       3.08716714      10.01389630       7.23395743      -0.51183415       0.23100518      -2.53871864
Cl       1.27757744       8.38910972       1.62564300       1.65298563       0.43251175      -0.47073593
Cl       3.56055235       5.87615807       0.17237956      -1.15574444      -0.93746343       0.86541299
Cl       3.53500059       6.89156160       8.18917284      -1.10467170      -1.16733863      -0.30552331
Cl       1.14528716       0.75178671      10.63043428       1.94976145       1.90274416      -0.06992484
Cl       0.15493238       5.23091366       0.31391163       0.24595466      -2.39973396      -0.16968156
Cl       2.75015919       7.55273116       4.59894922       1.22876810      -0.25965621      -1.44255715
Cl       0.65794875       3.10375356       3.87708203       0.42827047       0.42626994       1.50703676
Cl       2.11136505       0.25806308       3.58534526       0.59420424      -1.45377312       3.06810765
Cl       2.83437052       3.32337733       6.81978467      -0.96746155       0.73418619      -0.62564045
K        7.62686055       4.34447228       6.14259241      -0.46258509       0.04319424       0.85964357
K        2.49882608       3.46199864       9.72888083       0.54126008      -1.09768768       0.57139806
K        7.31549109       1.89850594       9.01543694       1.14365747      -0.65434531      -0.06919828
K        0.43793471       5.83299001       2.90471647       0.59451413       0.80449940       0.45239706
K        7.22288898       2.18110392       3.62156437       1.30277548      -0.03040121      -1.05253269
K        3.03986873       4.69877131       3.91860229      -1.61896477       0.67525407       1.22296933
K        7.09939058       7.03794493       4.18083041      -0.01906023       1.74406022      -0.14251917
K        0.90738797       1.18210251       6.39257042       1.15899778       0.51121723      -1.15860115
K       10.13868475       9.96818064      10.33467557      -2.58273176      -0.98741295       1.63975554
K        3.42150825       0.06764659       1.36514942       0.55718713      -0.44266562      -1.50249622
K        1.24426366       5.43345232       8.50401136      -0.93819624       0.86329611      -1.06666753
K        4.33243899       7.92616419       1.88974657      -2.47202457      -0.07426405       0.03349193
K        7.12724060       9.30903832       1.11170236       0.15614646       0.69428825       0.01813356
K        5.65668608       6.57343833       9.52673243       2.00759092       3.03999974       0.63327535
K        4.93961052       5.09619504       6.29894927      -2.28796363       1.37100467      -2.93288276
K        9.08929531       8.34240755       7.93652800       0.55142671       2.00636454      -1.34548165
K        5.86845026       3.97977693       0.45797068      -2.21935892       0.01072676       0.21377440
K        0.28850187       8.95909730       4.33869414       0.34261012       0.71545302      -0.46695525
K        4.57944662       1.74110837       3.22017291      -1.47324565       0.69863877      -0.91041185
Li       2.35144541      10.45119249       9.07260048      -0.33998775      -0.02850228       1.21806318
Li       1.15093521       1.41186243       2.39838607      -1.30225330       1.54130345      -1.48477134
Li      10.82811626       7.21700242       0.33147914      -0.68659524       1.47527432      -0.25929583
Li       2.63251483       7.76475552       6.64574646      -0.99579700       0.56529917       0.09489301
Li       8.70361217       4.66427588       9.72436021       0.84337135       1.25113451      -1.25876047
Li       4.11823563       9.18594104       5.22476692      -0.54556155      -0.04678307       1.06333680
Li       4.26703645       1.88371909       7.10073484       0.33055435      -0.52013573      -1.08399068
Li       8.13566265       0.49093864       6.17885489      -0.01927815      -0.86817909       0.35044875
Li       5.20256496       9.77008671       7.84518342       0.32625572      -0.22722436       0.31621363
Li       8.55332616       5.88050523       1.37739953      -0.12768260      -0.06827272       0.79730018
Li      10.31868539       2.64973002       0.12748781       0.92419091      -0.39066394      -0.78688788
Li       9.87709624       3.23046083       2.61437817      -0.94782749       0.50080868      -0.09037281
Li      10.45533367       4.35236438       5.47600246      -0.10445723       0.06480998       0.31389058
Li       2.53203145       7.74746445      10.49252846       0.21131804       0.17781468      -0.13180247
66
Lattice="11.8897 0.0 0.0 0.0 11.8897 0.0 0.0 0.0 11.8897" Properties=species:S:1:pos:R:3:forces:R:3 energy=-572.38902853 stress="-0.022888417721193103 -0.0022281483100268194 0.001010823725034348 -0.0022281483100268194 -0.025802617073115142 0.0017169545880818286 0.001010823725034348 0.0017169545880818286 -0.024348802231629718" free_energy=-572.38902853 pbc="T T T" config_type=melt 
Cl       2.14682801       2.83332740      11.77746016      -1.01862838       0.14453303       1.09244742
Cl       5.70904158       1.69134549       4.65808722      -0.44911075      -0.58113988      -0.15129851
Cl       4.92823309      11.59695062       7.79839478       0.36819709       0.66219466      -1.37636506
Cl       4.56428937       3.18305104      10.05938769       1.60754028      -0.40396218      -0.59928905
Cl       7.92108460       0.37968568      11.03314223      -1.39618664      -0.00448471       0.00823692
Cl       5.50921139       5.59789666       6.05475839      -0.59599874      -1.26864325      -0.89037027
Cl       7.62715932       5.87863626       9.45868438      -0.65927495      -0.08813971      -0.08220347
Cl       6.50994366       9.57602383       3.19914969      -1.50573853       0.50857124      -0.22118375
Cl       4.95855183       8.31801034       8.43359011       0.48856413       1.30511056      -1.32014637
Cl       7.91827863       3.95848538       2.31041839       0.00607808      -0.62749800       0.15218869
Cl       6.03785123       8.65547570      11.55278157      -0.79248613       1.20315326       1.45205652
Cl       9.88899640       0.26747426       3.78149531      -1.22705845       0.70263680      -1.18381813
Cl       9.60732941       3.02045939       8.41533942      -0.13279769       0.57054974       0.45100653
Cl       8.85115638       0.05555462       7.25343038       0.51004359       0.26023566       1.44159751
Cl       9.22136597       6.64383357       0.53752739      -0.45226337       0.14441494       0.48388496
Cl      11.51780207       4.87634644       3.84565213      -0.25275741       0.38088254       0.17463237
Cl       8.73208103       7.96024927       7.02851293      -0.48856143      -0.06963154      -0.35586951
Cl       9.40632214       8.92135317       3.40330773       1.13242820      -2.55172521       1.38835796
Cl       0.10486715       8.68179949       7.11492727      -0.39740848      -0.38025750      -1.21571454
Cl      10.84011295       1.22194014      11.75749724      -1.40027778       0.46235922      -0.46195287
Cl       3.92872546      11.65661432      11.19807615       0.93822112      -0.97660775       0.08809478
Cl      10.31311389       9.79188133      10.17871272       0.38110947      -0.06123733       0.65759670
Cl       0.10587742       1.60713075       5.51293287       0.27148943       0.33271094       0.48023872
Cl       0.45222117       0.83553678       8.56059589      -0.26583713      -0.05575580       1.11932771
Cl       2.19294816       5.02782122       7.63591014      -0.48527496      -0.11742893      -0.06496134
Cl      11.84228744       5.17267343      10.85376233      -0.38996914      -1.41076781      -0.28443629
Cl       3.73788389       6.30192147       3.33717722      -0.17642029      -0.10124356       0.25200458
Cl       3.29383926       7.18416099       0.13435361       0.17955840       0.79647204      -0.70373389
Cl       0.75695299       9.99203254       1.92378913       0.10648235      -0.70413904      -0.17648840
Cl       2.00052525       9.52257963       9.12920890       1.43053130       1.04321889       0.42405508
Cl       3.49791407      11.79511744       2.49296096       0.21875950       1.24725766      -0.25535205
Cl       3.07769640      10.07748382       5.10641214      -0.74613884       0.61695413       1.56609181
Cl       2.30094230       3.17300424       4.07246004       0.70816309      -1.27573823      -1.76933164
K       10.39340503       5.97657172       8.41721800       0.13096590       0.31976842      -0.16795087
K        0.03317226      10.57459217       4.54582467       0.04728124       0.92978171       1.28715446
K        2.80892974       2.06639419       7.82532495       0.54867536       0.17325452      -0.63930355
K        8.19329928       3.47324294      11.19497294       0.24030280       0.31733301       0.03652024
K        0.44346916       1.47704554       2.03252044       0.54705034       0.35002432       1.55283217
K        8.89696739       2.92038378       4.98197454       0.12920665      -0.76169136       0.31461201
K        1.60022283       5.59259386       1.38532840      -1.03826008      -1.03063663       0.54556498
K        0.24578269       7.89448734       4.14574815      -0.20784615      -1.05680737      -0.03027021
K        9.70367165      10.28866867       1.29509746      -0.14916417       0.88561433      -1.58663454
K        0.92912774      11.29188588      11.34490206       0.55094560      -0.30852255      -0.92456034
K        6.93485776       6.43335021       2.96070176      -0.70662770       1.50136726       0.21489116
K        4.45631901       6.02224006       9.47376052      -0.33257614      -1.32521863       0.54070478
K        0.59527567       7.75855240      10.53299011      -0.30176133       0.22503602       0.37392076
K        6.40003527       0.55761623       1.72929742       0.11592616      -0.31046124       0.19424291
K        8.06459327      10.35677287       5.32187728      -0.26218227      -0.27794421       0.06706388
K        3.25612513       7.45944321       6.05278470      -0.07909922      -0.54637567       0.65544792
K        4.58490611       3.79308776       1.96099200      -0.18784405      -0.29522889       0.10271294
K        3.67190794       9.11572598       2.70570336       0.23036520      -1.21530589      -1.74313452
K        7.61292735       9.49196365       9.55321938       0.08307008       0.39798912      -1.36057300
Li       3.32773679       1.05285909       4.27376455      -0.36149179       1.21182713       0.22617031
Li       5.48212666       0.58817038       9.50820498       0.74991687       0.65706124       1.55186918
Li      10.74460299      10.40634103       8.16430030       0.23096415       0.18042902      -0.72025077
Li       9.58352623       5.60629079       3.32336139       0.08324942       0.25611039      -1.06647797
Li       3.99509377       9.31176336      11.00523711      -0.39916781      -0.24665824      -0.66722059
Li      11.55159260       2.67498038      10.33594211       0.56542131       0.57463173      -0.07980600
Li       9.18682639       0.93510469       9.37022501       0.52627249      -0.25323434      -0.56558908
Li       3.29627665       1.57724004      10.59146366      -0.46243989       0.61813912       0.14673056
Li      11.53051216       2.66726396       7.50389880       0.33260822      -0.60622269      -0.80115631
Li       7.22445518       7.11882709      11.28282593       1.61708934      -1.52533877       0.03612506
Li       2.66474334       4.33886066       5.60822881       0.54194230       1.18838927       0.81715309
Li       4.82866874      11.23709815       4.59490535       1.29848925       0.01757963      -0.38783315
Li       6.80918363       6.69444803       7.06242235       1.14576890       1.17305095       1.38637550
Li       3.51517792      10.14730013       7.43172832      -0.74202794      -0.92059559       0.57136586
66
Lattice="12.0765 0.0 0.0 0.0 12.0765 0.0 0.0 0.0 12.0765" Properties=species:S:1:pos:R:3:forces:R:3 energy=-565.91607067 stress="-0.029908979327181055 0.0003036405435482435 -0.0012402703074070472 0.0003036405435482435 -0.028469432943806442 0.0004545917912822412 -0.0012402703074070472 0.0004545917912822412 -0.01780895434971011" free_energy=-565.91607067 pbc="T T T" config_type=melt 
Cl       5.72593963       7.51772994       7.50835857       1.10277291      -0.46037701      -1.43705351
Cl       5.77244624       2.30412374       9.31094527       0.69399122       1.63475652      -2.24727513
Cl       6.87554997       7.05387157       0.32720431      -0.27106451       0.21492201      -0.60999286
Cl       5.83991764       8.21893983       3.76419674      -1.62777310       0.67807613       1.60643162
Cl       4.42179840       4.21554385       4.98735297       0.56871522      -1.07840418       0.13298200
Cl       5.14636425      11.39051857       4.84678251       0.34718554       0.50612615       0.26991363
Cl       6.10183277      12.00385985      11.37423945      -0.69352643      -1.55635381      -1.77464916
Cl       9.45166065       0.25334323       0.29447700      -1.04822002      -0.12338588       0.53215461
Cl      11.24638554       1.65043487       5.17849981       0.36970031       0.90447332       0.80352439
Cl       6.48113148       2.65824295       1.66787334       0.46966002       1.58341173      -0.02530286
Cl       8.99347824       0.76658361       3.74385992      -0.13535323      -0.79433745      -1.89279398
Cl      11.06446515       7.57692894       2.49184086       0.35112427      -1.03608724       0.06649471
Cl       8.27911703       6.23161892       3.91493562      -0.32128450      -1.21163232      -0.01392627
Cl       9.08690204       7.53450420       7.28308354       0.09212634       0.73078831       1.00767886
Cl      11.98480314       4.53908537       6.81124261      -1.65112255       0.40802305       0.45777473
Cl      10.40665819       4.78048252      11.10918443      -0.25185226       0.39396639      -0.96331571
Cl       8.54583861       9.91073672       2.02224615      -1.31675671      -0.64610940       0.02805636
Cl      10.90039382       9.96890922       5.19372828       0.58535674      -0.30857534       0.71034580
Cl       8.47991300      11.30187706       7.63010177      -2.19972995       1.28790335       0.63953231
Cl      11.63854573       2.14658580      10.09262089      -1.86055037      -0.28000931       1.00047836
Cl       0.40505789      11.26700013      11.65080337       2.73988808      -0.74303230       1.11485959
Cl      10.29018035      10.05224915       9.54113544       1.61574921      -0.60742775       0.03040571
Cl       2.65140765      10.62136629       8.39497898       0.04152676       0.16828810       0.37078201
Cl       3.72130102       1.37633455       0.87627809      -1.14476077      -3.16363326       0.03687288
Cl       1.08178389       3.33434580       2.87460552      -0.02757626      -0.64321612       0.42901761
Cl       1.53709692       1.56919626       7.33692058       0.59465671      -0.56126559       0.59267451
Cl       2.66284410       3.29216259      10.85339208      -0.04051925       0.16123988      -0.35670798
Cl       3.46946976       5.74460990       1.70538295       0.12551310      -0.51377848      -0.19948114
Cl       3.24134468       6.35600687       8.85324592      -0.45512196       0.53258845       1.59158012
Cl       0.38902150       7.51205398      11.37291103      -0.72749961       0.99258483      -0.51225524
Cl       4.00724838       8.81815161       1.05619499      -0.65303397       0.99213584      -0.77705714
Cl       0.90316762       8.09487795       7.10939932      -0.43925718      -0.32812377      -0.10620722
Cl       1.40325307      12.01683001       3.21900315      -0.58381183      -0.69324196      -1.22378477
K        8.17362881       9.41947678      11.13122404      -0.26092720       0.24965815       0.53643747
K       11.02381565      11.92010932       7.41949969       1.32506842       0.58364207      -0.37136135
K        6.31291792      12.04223692       1.90307525       0.34031118      -1.20959609       1.65124149
K        3.23865162       1.48213677       4.26113264       0.48993331       1.07989872       0.74670089
K       11.13618748      10.42918086       2.49507736       0.66710358       0.19927943      -0.52375799
K        7.18631455       1.99221190       5.06353153      -1.23960873       0.67695999       0.63593482
K        8.68166301       5.01066061       8.08280145       0.19431731      -0.71714422      -0.07494244
K        2.65852071       9.84145384       4.60938267      -0.13705605      -0.09935773       0.26012901
K       10.60755077       6.60229501       5.30864825       1.34993849       1.79384867       0.00079013
K        8.66415208       5.18448976       1.09933346      -0.10675881      -0.24120841       0.97441604
K        7.83409801       2.00047222      11.05234034       0.71756442       0.75916557       0.06508909
K        3.28228401       6.64186970       4.88977485       0.09101680       0.51992924       0.01465425
K        0.52705831       5.34784857       1.27762124      -0.08278109       0.88617579      -0.85947673
K        4.88622436       9.12931471       9.30644074      -0.56989169       0.30962851       1.47306400
K        6.14674528       5.81013699       9.73446813      -0.83417681      -0.32364601       0.29412409
K        2.49379725       4.17480982       7.27118819       1.30645495      -0.02411338       0.21130936
K       10.51137352       4.29052684       4.04601395       0.34105419      -1.60372358      -0.28455597
K        8.14154155       9.91653344       5.44059609      -1.01944755      -0.71883240      -1.31341603
K        5.44087385      11.71924090       7.90004778       0.16722260       0.31648688      -0.36926939
Li       4.13838710       3.19379950       1.37035668       0.72505052       2.88493396       0.52717225
Li      10.88678360       9.21131415       7.36137549      -0.31690537      -0.58805944      -0.00789774
Li       5.44042702       7.09194878       2.08187991      -0.98497646      -0.50110377      -0.94627321
Li       7.64356707       8.06202987       2.91683704       1.44094648       0.27303858      -0.89274187
Li       1.22008879       8.94565530       9.15282766       0.04283366       0.26610822       0.19143609
Li      11.78677269       2.55730756       8.11249756       0.07063104       0.72907081      -1.97911145
Li       2.32000434       6.95364870      11.34941016       2.01846992      -0.57261063      -0.02986887
Li      10.32101165       1.21911060       1.89543083      -0.00087461       0.16683591       1.38379019
Li       1.49552961       1.75835048       9.67688737       1.51022640      -0.50754226      -0.24393864
Li       4.49802527       1.51272654      10.61334749      -1.13925893      -0.32040905       1.47809654
Li       2.92446939      10.83155777       0.53484282      -0.32857624       0.00957686       0.17704347
Li      10.92813354       0.22030917      11.05046848      -0.09726587       0.22916561      -1.76373325
Li      11.51571565       6.49523684       9.69787633      -0.10743538      -0.34183502      -0.16367582
Li       1.48548196       1.74122600       1.41852984       0.17864556      -0.60451387      -0.07916528
66
Lattice="12.0698 0.0 0.0 0.0 12.0698 0.0 0.0 0.0 12.0698" Properties=species:S:1:pos:R:3:forces:R:3 energy=-571.1824783 stress="-0.01108090296008394 0.0016040785994722213 -0.0036970818716867398 0.0016040785994722213 -0.020884324921239046 0.0008708522842527302 -0.0036970818716867398 0.0008708522842527302 -0.010543283094198051" free_energy=-571.1824783 pbc="T T T" config_type=melt 
Cl       5.77271980       7.96745603       0.17394996       0.65483146       0.17716110       0.26361111
Cl       0.62840448       8.43063460      11.70797154      -0.98428309      -0.48159067      -1.24142042
Cl       7.45453781      11.23526989       8.23156739       0.90338017       0.12217190      -0.09677960
Cl       3.95497172       1.49030649       1.83031275      -0.09767660      -0.85456820       0.04491722
Cl       5.76168801       3.68608071       0.03560193       0.72245195       1.46356833       0.76494444
Cl      11.61333223       1.66339949       9.18189516      -1.47115398      -1.51693333       1.23610392
Cl       5.06299142       0.05220913       5.11904358      -0.81427495       0.99956002       0.03131321
Cl       3.24037921      10.82239824       9.15915566      -0.41104515       0.39737729       0.05274040
Cl       4.70982908       8.86324037       4.18806369      -0.85852524      -0.55265511      -0.07750078
Cl       6.02126113       0.82591952      11.07837456      -0.03184381      -1.91383907       0.11775786
Cl      10.97595024       9.77912094       9.59362018      -0.05528099       0.10462305      -0.89010029
Cl       9.37681036       4.53766545       4.34626256      -1.02630294      -0.71933390       0.70418343
Cl       4.43291166       4.24846097       4.25598046       0.75682387      -0.41200911       0.16596681
Cl       7.81753704       7.38657276       3.45513716       0.14764014      -0.19724706      -0.50753535
Cl       6.69212475       6.20764298       6.49469903      -0.16577872      -0.52265941       0.30644407
Cl       6.81964219       2.93957565       8.45711574       0.42194606       0.95657841      -0.19497937
Cl       2.95965980      10.15428653       0.68407161       0.11423850       0.27669048       0.63619541
Cl      11.96270479       0.01834610       2.89634163       1.37659392      -0.45983606      -0.51892516
Cl       9.59686696      11.67835225      11.97178200       0.60046977       0.54815950      -0.35442517
Cl      11.39304631       6.23997797       3.06578955       0.97472198       0.96898058       0.19660444
Cl       0.98346782       2.85655957       1.46824289      -0.26225956       0.82626220       0.53351849
Cl      10.15398479       1.73070069       5.97473205       0.42830245      -0.25149989       0.66449694
Cl       2.36272370       2.46296339       6.98659166      -0.65567052      -0.53265518      -0.12324280
Cl       3.30836839       2.90942529      10.44368413      -0.26856050       1.21309289      -1.24126149
Cl      10.33866480       9.66041445       5.47640621       0.13248064       0.94104621       0.26891566
Cl       1.32347771       0.73446061      11.44396880      -0.44247472      -0.68600852      -1.05640707
Cl       8.14868407       0.37018921       2.95571297       0.30006109      -0.12059622       0.69986053
Cl       8.03579523       8.06470241       8.84284241       1.18170727      -0.91952591      -0.84710691
Cl       1.43619757       8.39092496       7.07007847      -0.02542657      -1.57259855      -0.35549562
Cl       0.51473593       4.82882524       8.02535486      -0.69076156       0.71978441      -0.17855844
Cl       3.48054409       6.26124496      10.78952010      -0.06168737       0.29953202      -0.75172710
Cl       9.81723737       5.39935261      10.59487044       0.20877129       0.26394298       0.25096708
Cl       2.46458074       6.25972416       2.27236918       0.54482493       0.32216302      -0.51112063
K        9.44887914       5.46303288       1.39920363      -1.08787429      -0.27289945       0.32189619
K       11.98322332       3.65823568       4.80789620       0.59476370       0.20570275      -0.82862405
K        6.98911425      10.26450794       5.17956155       1.04429423      -0.65578301      -0.15644968
K        5.42730627       8.98450565       8.47770682      -0.75378141       0.20685297      -0.13184310
K        5.65155108      11.14489123       1.79836399       0.04553203      -0.31028312       0.05027502
K        8.14316818       9.59384951      11.06049918      -1.00967560       0.23914831       0.42120994
K        6.86758343       2.53574428       5.07579748       0.22224067      -0.98744717      -0.17484047
K        4.15654944       4.72072811       7.58793324       0.11106434       0.02729273       0.27844445
K       10.03730603       7.12801351       6.37342168      -0.46410622      -1.24266692      -0.89550218
K        4.85260274       1.15499658       7.77698251      -0.28587681      -1.36097112       0.16196240
K        9.45865568       4.33935864       8.01871647      -0.62592990      -0.23158090      -0.54056630
K        0.77551965      10.87630197       7.51856810      -0.07771210       1.54278080      -0.15460129
K        0.90632611       8.57189954       3.56965542       0.46223431       0.59470161       0.03701505
K        1.11695136       5.04596094      11.59923471      -0.53407372       0.11597570       0.05087721
K        3.04190341       6.46161571       5.20622374       0.09949910       0.71219946      -0.19743280
K       10.48452833       8.75257238       1.08893736      -0.90075120       0.47629257       0.85465930
K        2.34953141       1.19310576       4.22723019       0.48318508       0.08921973       0.16404993
K        6.44087979       5.98987965      10.11161979      -0.03183356      -0.47185072       0.42564260
K        9.92995723       2.53696333      11.38971505      -0.30903607      -0.52545671       0.75899442
Li       9.62459129       9.36033509       7.85130834      -0.84448079       0.84205730      -0.12745740
Li       1.74306017       0.59469112       1.34899327       0.09276677      -0.15852707       1.27833106
Li      10.35485040      11.92470893       4.11449826      -1.64993466       0.17924597       0.65724565
Li       7.25948984       5.01224999       4.47167985      -0.44059621       1.76700827      -0.05736270
Li       4.94916114       6.45349273       1.99550003      -0.03429987       0.44571103      -0.07048679
Li       5.46871775       2.58672712      10.21659084       0.67609926       0.81017009       0.16734875
Li       1.53958748      10.67400005      11.05673341       0.46839831      -0.70952463      -0.09165117
Li       0.08295936       7.83876782       8.81895628       0.60961064      -0.14003406       0.61034942
Li       2.36102186       7.80655352       0.43232213       2.08491408      -0.27618708       0.48508131
Li       3.71947785       1.10149115      11.45679900       0.52920461      -1.70357476       0.49240741
Li       1.60942334       1.93220600       9.68012444       0.14839544      -0.16842903      -0.66837167
Li       3.53783943       3.13121993       0.58581016       0.05938446       1.22364822       0.60599357
Li      11.77462097       2.72300723       7.59014201       0.66895912       0.80044396      -2.17515400
Li       9.89507551      11.89797433       9.24743418      -0.49682295       0.04962608       0.45660511
66
Lattice="12.0635 0.0 0.0 0.0 12.0635 0.0 0.0 0.0 12.0635" Properties=species:S:1:pos:R:3:forces:R:3 energy=-573.16555623 stress="-0.01659468829143459 0.00010344722164104619 0.003211752982283937 0.00010344722164104619 -0.01765185744370587 0.0018930924597348863 0.003211752982283937 0.0018930924597348863 -0.013226287317448791" free_energy=-573.16555623 pbc="T T T" config_type=melt 
Cl       7.41717059       8.01947702       3.39805874       0.63569744      -1.21412113       0.20730430
Cl       4.54253505       3.81767553       4.43011530       0.24115148      -0.10947467       0.25022720
Cl       5.96772901       0.39755144      11.99146884      -0.56539959      -2.20753263      -0.64745004
Cl       7.46624491       2.51737499       9.94167511       0.11077296      -0.58004270      -1.04463917
Cl       0.00060317      10.02652977       8.54244181      -1.50521887       1.44284253      -0.42291736
Cl       5.48719155       5.66493516       7.99530177       0.76325796      -0.32931994      -0.76215521
Cl       6.29755716       8.47311288       0.35795300       1.62039231       0.88624349      -1.26334420
Cl       4.52682837       9.00548719       4.08578681      -0.28191104       0.19644591      -0.07708062
Cl       8.02075575      10.98297230       7.77218734      -0.58271517       1.21651129      -0.40087240
Cl       4.72763740      11.92713420       6.05843446       0.10058230       0.03278715      -0.29678225
Cl      11.98231264       0.08833884       1.81655802      -0.58116174      -0.44172763       0.29147055
Cl       8.28026576       0.59894433       2.55841502       0.16195841      -0.37398335       0.62561198
Cl      11.40071925       1.48652479       5.09967574      -0.47378476      -0.01574030      -0.13583809
Cl       8.74112766       3.95205085       5.99011886      -0.93607007       0.17133183       0.34443037
Cl      10.84421793       2.19881414       8.84380010      -0.47766101      -0.50623907      -0.77633017
Cl       9.90057477       4.88839560       0.27269180      -0.23664311       0.10227923      -0.61245506
Cl      11.68991753       6.50268491       3.18825035      -1.06847585       1.08830747      -0.34614858
Cl      11.82359318       5.20781295       7.41089757      -0.34043152       0.11303666      -0.14376176
Cl       9.00355703       7.81156260       8.30434451      -0.39473639      -0.78964011       0.29094814
Cl      10.11470189       9.98836086       5.05283317      -0.30506741       0.33070514       0.17478272
Cl       6.58659862       3.90273527       1.04177853      -0.07047526       0.32328063       0.55128820
Cl       0.61017786       8.11317423      11.59548445       0.24005890       0.27082464      -0.11221839
Cl       9.39616364      10.93937482      11.23004485       1.03161329       0.92533827       0.01616129
Cl       3.02378866       7.54643100       8.99197607       0.76703767      -0.94700959       1.16969337
Cl       2.87031681       2.78081770       9.96413735       0.14399053       0.22143442      -0.49551035
Cl       3.47328673       1.76428687       0.99534491       0.36054753      -0.12738857       0.77099982
Cl       3.82353839      10.47307229       9.75674166      -0.09623939      -0.24505345       0.40273245
Cl       1.79502467       2.39993682       6.67895677       0.15509820      -1.65855973      -0.76456898
Cl       0.92183477       0.25154448      10.88074621       0.59563125       0.25398785      -0.21745794
Cl       3.81809775       5.85433211       1.22907763      -0.25696458       1.91738191      -1.42874655
Cl       1.92646857       7.79018608       6.07628844       0.68859272      -0.62595026       0.87595772
Cl       1.07124724       3.60534586       1.49922765      -0.31256079       0.20164696       0.73439629
Cl       2.63142332      10.29038264       1.57534834       0.79949402      -0.11945754      -0.36772769
K        4.83927302       8.94864398       7.04391384      -0.22232148      -0.43632335       0.27075230
K        2.68342907       4.64876623       7.52728622       0.88874990       1.73125055       0.81981333
K        7.37566009       9.67017398      10.07149044      -1.05738882      -0.61945783       0.24953691
K        0.89463278       4.68299038       4.52895155       0.44738546      -1.45862143       0.30573201
K        9.41446397       7.13493295       5.48294519       0.34939505      -0.09326182       0.29073504
K        9.05848215       5.01436266       3.38980731      -0.10609956      -0.33835930      -1.76542752
K        3.36098761       6.39587468       3.79613012      -0.29100065       0.46296124       0.77693026
K        3.10712331       1.11807172       3.82073966      -0.73234311       0.62112612       0.14449383
K       10.42070463       1.96472193      11.57909016       0.52345735       0.01402379       1.76188343
K        1.18017462       5.07585032      11.05551013      -0.11498059       0.26908393       0.34947400
K        5.49271663      11.47573009       2.78268754      -0.38244529       0.34820008      -1.48207091
K        6.61795166       6.01085602      10.98198310      -0.09521944      -0.56803214      -0.02437079
K        0.52432193       8.97052717       4.29125235      -0.19214581       0.74430188      -1.78850537
K        1.59129628      11.33549190       6.37646451      -0.22556738       0.24157996       0.34032905
K        9.24816862       4.51936107       9.13670188       0.28143174       1.29653035      -0.02592577
K        9.38162712       9.04702182       1.52074894       0.33176009      -0.01468961      -0.19811474
K        7.22153681       1.44686000       6.72196315       0.30568530       0.55372601      -0.44067129
K        5.02438743       0.61652809       8.87564774       0.10087441       1.21490410       0.43124852
K        7.12864786      10.41221193       4.68785197       0.86362833       0.17828279       0.79615851
Li       9.68845018       9.67068065       7.50108430       1.23609880       0.19498339      -0.14109092
Li       0.98379773       2.10334361       8.74612194       0.59300347      -0.30582744       0.54106883
Li       3.51915216      12.05518825      11.64905846       0.47087844      -0.13846761      -0.51754504
Li      10.83584586       3.32768028       6.50915095       0.48605125      -0.62649393       0.27603517
Li      10.66798226       0.12361227       3.40688923      -1.04026126       0.39551617       0.68793962
Li       2.97981720       8.79809150      11.14671019      -0.52567217      -0.13945221      -0.21615458
Li       4.75392376       7.96913604       1.36188471      -1.81185818      -0.54469680       1.78242087
Li       6.08159638       4.68175991       5.90417849       0.01469313       0.21524667       0.39850444
Li       1.24829479       8.50822972       8.59448375       0.21105100      -1.32984066      -0.19725663
Li       6.99000206       2.10469472      12.00596917       0.41520297       0.81668377       0.63348470
Li       0.10759580      10.29034645      11.10931334      -0.44900805      -0.16845985      -0.15569607
Li       4.32556094       3.94803371       1.60936741       0.38668450      -1.72191718       0.06625079
Li       9.03960277       0.69372242       9.55386978       0.00990352      -0.50647219      -0.12452529
Li       1.84659614       0.28868921       1.03996900      -0.59998333       0.30882782      -0.23543630
66
Lattice="12.0396 0.0 0.0 0.0 12.0396 0.0 0.0 0.0 12.0396" Properties=species:S:1:pos:R:3:forces:R:3 energy=-569.75925603 stress="-0.017682798114888085 0.005117324397048149 -0.003355716292574178 0.005117324397048149 -0.020385855776432014 -0.0005434034791777683 -0.003355716292574178 -0.0005434034791777683 -0.018142945055262164" free_energy=-569.75925603 pbc="T T T" config_type=melt 
Cl       1.75750469       2.81276359       0.35528619       0.03913322      -0.44185033      -0.60260188
Cl       8.14787154       2.28493549       9.37757220      -1.26920918       1.13249551      -0.65678291
Cl       4.70587029       1.37533167      11.54932341      -0.41771751       1.23369310       1.12995224
Cl       8.72169091      10.36154463       9.59696983      -0.14776514       0.58039028      -0.42314310
Cl       5.70951543       5.19253500       8.84967186      -0.16665642      -0.28719250       0.31320070
Cl       6.23240730      10.40642826       0.86622996      -0.57050474      -0.73603862      -0.06818929
Cl       8.10375844       9.09944540       3.13072943      -0.65308148       0.77078770       0.23264086
Cl       8.00728513      11.35375215       6.16840478      -0.10243957      -0.05754076       0.26901409
Cl       5.41767552      10.64944759       9.52876550       0.08966923      -0.32421760      -0.07166062
Cl       9.08310767       0.22827684       1.09542662       0.06565322       1.21376882      -0.85253039
Cl       9.09745887       3.75855845       0.32233741       0.04467645      -0.53598888       0.24492452
Cl       9.93482509       1.71002051       4.21033240      -1.07475504      -0.51816868      -0.47696094
Cl      10.65738168       0.72228931       7.30196924      -0.65501038       0.93900906       0.81893531
Cl      11.34609496       1.07422729      10.79253823       0.99990284       1.08247386       0.30008749
Cl       8.98487657       7.06194778       0.76676239      -0.03551865      -0.81491082      -0.53938090
Cl       8.97990421       4.84365148       5.60920148       0.58475302      -1.07840982      -0.42412642
Cl       8.59859804       7.41220382       7.53913732      -0.03387732       0.51947761       0.71251907
Cl      11.31829552       5.30945156       8.83953452       0.50913953      -0.12205190       0.37411203
Cl      11.79494329      10.79138243       1.35215544       0.22467273      -0.00957584       0.56378840
Cl      11.12043674      10.25459686       4.82787960       0.92205789      -1.46878964      -0.87001544
Cl       5.02807407       0.84711228       5.42433342      -0.87228042      -0.86280287       0.09981464
Cl       3.94304124       3.96771038       3.10435066       1.77441119      -0.11637141       0.48350871
Cl       6.44077665       6.37056171       4.56187668      -0.95732092       0.58310193       0.77027006
Cl       3.92810009       7.20589323       6.78353203      -0.16498219       0.33036426       0.71268326
Cl       1.32344099       1.95411136       4.27392556      -0.24149855       0.40324012       1.34317507
Cl       2.71261820      10.25789571       0.30993783      -1.06772309       1.90781445       0.83593241
Cl       1.74693392       8.11136747      10.12571295       0.02868612      -0.03832850      -0.38937260
Cl      11.99338563      10.47333232       8.33737484       0.80163960      -1.77181209       0.29762304
Cl       1.72079595       2.03123703       8.28083688       0.29520921       0.47762412      -0.08726111
Cl       0.35990097       4.82648301       3.00803386       0.08204414       0.85038329      -0.38200315
Cl       3.66126644       9.47080686       4.16914493       0.52974572       1.21272080      -0.47835800
Cl       3.44788861       6.28851183       0.52024918       0.78458667       0.89569193       0.53932567
Cl       0.97982117       7.53150422       4.93595909      -0.62517395      -0.26864379       1.46567417
K        2.36008667       4.99067907       6.07343642      -0.67566891      -0.66355824      -0.16715699
K        3.60632974       6.73365196       3.75027520       0.25451157      -0.32475416      -0.09077908
K        6.39296740       3.10569910       5.45827306       0.59416124       0.87085141      -0.14510768
K        7.54225558      12.00282805       3.23398104      -0.60190917       0.37213815       1.10354507
K        8.33125872       5.18014626      10.02902292       1.21130735       0.28049287      -0.61823286
K        9.18755120       9.69644101       0.16037229       0.11821453       0.11534169       0.68518869
K        2.44289504       0.33737849       2.55104676       1.53506584      -1.17034436      -0.69864800
K        0.16712650       6.69321095       0.30436831      -0.37948014      -0.69953496      -0.43996734
K        9.91062549       7.31918587       3.95986056       0.75846737      -0.71837401       0.84554378
K       11.59344854       2.23997962       2.12001705      -1.22493001       0.26529591      -1.35160941
K        6.22319700       9.03795917       6.60038563       0.28002038       0.05552768      -0.22228528
K        4.72890205       2.02374840       8.94049860      -0.00684174       0.02655429      -0.96305553
K        7.74508672       5.16520511       2.63037569       1.07054595      -0.53914323       0.09046816
K        2.68602272       5.38703474      10.08249078      -0.15218306      -0.54656297      -0.86500184
K        3.12483002      10.13464633       8.09257365      -0.49628338      -0.44833695      -0.12336438
K        1.17615695      11.72195923       6.08139459       0.85419482       0.23805784       0.05310009
K        6.17284740       4.28808413       0.36727402      -1.05912190      -0.72936934      -0.35768864
K        6.47705197       7.81528963      10.68277320       0.33457995       0.48926387      -0.42383475
K        1.25719911       8.48910992       2.43856078       0.38280379       0.59872558      -0.26962327
Li       7.42604936       5.71645024       6.79914739      -0.31137791       0.55950512      -0.13706770
Li      11.93295322       3.16658335       9.33113547       0.00722767      -0.46671817      -0.14487373
Li      11.33246613       1.89880143       5.75122060       0.36363047       1.07989149      -0.26950707
Li       5.91990744       9.65691500       2.99954594      -0.43531752      -0.44701835       0.11032737
Li       8.17343161       0.59933129       8.19675231       0.44388774      -1.57053695      -1.18615279
Li       2.16443113       3.27390435       2.41190511      -0.87754368       0.71333329       0.21767471
Li       0.09402928       8.21516086       7.61391528       0.03266977      -0.36715846       0.14084798
Li       6.02309885      11.90225586      11.32144990       0.67691061      -0.84017898      -0.18500554
Li       3.90335872       8.86920009      11.71962355       0.53403874      -1.26582635      -0.60367954
Li       1.04937154      12.00345712      11.98385665       0.15325525       0.07110358      -0.61311818
Li      10.79120184      11.57183746       3.35109022      -0.79083923       1.00804590      -1.12333818
Li      10.33169846      10.60045845       6.61293089      -1.53303021       0.54861962       1.63991547
Li       9.21214810       1.44325909      10.86505274       0.24537868      -0.15356647       2.01986995
Li      10.62040807      11.42554428       9.91945052      -0.02681110      -1.02210912      -1.09217847
66
Lattice="12.0373 0.0 0.0 0.0 12.0373 0.0 0.0 0.0 12.0373" Properties=species:S:1:pos:R:3:forces:R:3 energy=-571.98025687 stress="-0.022433026417557872 0.001061547258847631 -0.004799284954089876 0.001061547258847631 -0.019447810956348715 -0.001869900884275842 -0.004799284954089876 -0.001869900884275842 -0.019937716438559582" free_energy=-571.98025687 pbc="T T T" config_type=melt 
Cl       1.45715128       2.58532314       0.10785987       1.06019873       1.17840981       0.75735304
Cl       7.94508745       7.64399847       7.59559649       1.23228905       0.14694814       0.80996902
Cl       5.70930343       5.60945402       9.68182910      -0.17195967      -0.70999655      -0.35983817
Cl       8.49199014      10.92037097       9.41056854       0.23123769      -0.47810613      -0.04537396
Cl       7.75850930      11.84954219       6.10351297       0.33022931       0.07214686       0.87985716
Cl       5.01483548      10.51529175       9.28367133      -0.08367507       0.64514854       0.79511999
Cl       8.74337712       0.47692986       0.73325093      -0.57119144      -0.37484018      -0.32626577
Cl       9.19820650       3.74068727       0.74862256      -1.06755084       0.59392759      -1.87514435
Cl       9.61776659       1.24555962       4.19607037       0.54587181       0.28555832      -0.13355970
Cl       4.40212487       6.99981032       6.75851061      -1.40429503       0.24701253       0.54751016
Cl      10.77346776       1.50456620       7.53200343      -1.68809361      -1.15718543      -1.41941284
Cl       8.13131652       2.27119776       9.26512185      -0.48289665      -0.07122364       0.44427198
Cl       9.14074043       6.74168246       0.49831052      -0.69109621       0.82800088      -0.23469404
Cl       9.16186589       4.23816481       5.33201833       1.06649951       0.94807701       0.51920319
Cl      11.79321967       5.50905090       9.28179351      -0.89171690      -0.81174525      -1.49842048
Cl      11.78048420      10.80181560       1.07453847      -0.15981827      -0.07471917       0.52506141
Cl      11.10068972       9.97935504       4.70707783       0.31192804      -0.07409442       1.15962429
Cl       8.35087687       9.40142020       3.06289099       0.23523488      -0.54119733       0.68712547
Cl      11.89141996       9.73777847       8.22691676      -0.51596772       0.25233940      -0.07763567
Cl      11.47043947       1.14166688      10.74979039       0.77424224      -0.75065018      -0.63240055
Cl       6.78477600       6.55364780       4.79582884       0.00938104       0.09838720      -0.55344600
Cl       6.12069019       9.74831111       0.84841057      -0.32602255       0.28808359      -1.05206636
Cl       2.90311990      10.84380171       0.36170883       0.25167849       0.86323722      -0.55886751
Cl       4.61272947       1.07477922       5.39506971       0.09700800       0.11030156       0.10948500
Cl       0.72881157       1.83731329       4.40385824       0.32019308       0.48781631       0.07632970
Cl       1.74928451       1.90224248       7.80015836       1.45958052       0.47187252       0.31958074
Cl       5.41302936       1.72758126       0.19218874      -0.61650052      -2.35722084      -0.16382738
Cl       0.18861366       5.04555467       3.11879221       0.31235571       0.38521803      -0.48748237
Cl       4.35123117       3.99283260       2.93404373      -0.15138183      -0.45344346       0.45405617
Cl       3.73312785       6.41246231       1.08296458      -0.79374533       0.73287941      -0.77847103
Cl       2.11874536       8.41285693      10.28499413      -0.74725688      -1.18941521       0.32597323
Cl       3.54772935       9.85900612       3.71855068       0.63721464      -0.67514779       0.45613652
Cl       0.95619737       7.20049619       5.82575227       0.29015817      -0.07978333       0.28724765
K        2.41748707       4.51106244       5.58781096      -0.07081429      -0.74208375       0.06764690
K        6.77241369       3.31395295       4.62048149      -1.16768960      -1.00647131       0.35689218
K        8.71492094       4.78542861      10.03136822       0.05531579       1.20507497      -0.22515479
K        0.93655009       8.86387049       2.90346898       0.28265606      -0.29491532      -0.20454502
K        9.22669879       9.62982796       0.31439141      -0.03600768       0.41529521      -0.43357486
K        2.59967161       0.30710523       2.61688495       0.10948154       1.10300522       0.40711642
K       10.39317334       7.10372833       4.44366559      -0.71227614      -0.18029424       0.22389459
K       11.73387578       6.41996154      11.75027058       0.32866364       0.48814500       1.43845357
K        2.23314786       5.39561139      10.37819894       1.68700458      -0.43482467       0.18711831
K        6.59987103       8.13909262      10.44268276       0.18659910       0.43768105      -0.05067039
K        5.27379391       1.48945939       8.49963383      -0.33125884      -0.04237601      -0.13218489
K        7.98695318       5.14034841       2.68502810       0.04718059       0.63853912       0.05478181
K        5.74115412       4.14934157       0.18864736       0.27494586       2.32662602       0.15932484
K        4.02695834       6.72509506       3.96673573      -0.23631151       0.44360333      -0.17006250
K        6.26341646       9.77667099       6.94860365      -0.52904040      -0.57771346      -0.66033794
K        7.44309593      12.02834425       3.38233685      -1.91618877       0.26056693      -1.00282266
K       10.77721136       2.13104748       1.78626310       2.57119673      -1.29602763       1.45415122
K        2.88584638       9.27932586       7.86635148      -0.04751588       0.02730096      -0.79267329
K        1.30773227      11.47306360       6.12084668      -0.06133851       0.53759686      -0.21984017
Li       9.61853698      10.58016076       6.74538995       0.42096093      -0.41200019      -0.20809916
Li      10.07792849      11.17474319       3.31490390       0.06629937       0.43251278      -0.72390972
Li       1.53710302       0.16568501      11.18377117      -0.07031435       0.11266846       0.42390780
Li       6.31451480       6.33686806       7.22437819       0.43876397      -0.52092010       0.05014774
Li       2.10002736       4.34808943       1.99270279       0.24272173      -0.43836850      -0.14178026
Li       3.09277960       8.82842064       0.09108372       0.74623441      -0.92860918       0.23390209
Li       9.77798305       2.07761391      11.28040661      -2.09867634       0.11593996       0.31918535
Li      12.00067050       2.32105626       8.85708145       0.83501399       0.70061013       1.23750437
Li       8.56717512       0.58774164       7.99666729      -0.18941219       0.52415251      -0.39892239
Li       0.19173252       7.29171485       7.99793120      -0.14421742       0.67449697      -0.19204396
Li      11.12328374       3.34959540       5.81201771       0.00561207      -1.01202461      -0.50929304
Li       6.06978445      11.82020729      11.56748418       0.17301362      -0.58294119       0.07528534
Li       6.04401259       9.10071640       2.84375194      -0.01628429      -0.14027853       0.60037983
Li      10.46704625      11.97110689       9.31057469       0.35354982      -0.67056276      -0.18077588
66
Lattice="11.9644 0.0 0.0 0.0 11.9644 0.0 0.0 0.0 11.9644" Properties=species:S:1:pos:R:3:forces:R:3 energy=-573.66116903 stress="-0.016210907856732595 -0.001245342756907616 -0.005888218076287636 -0.001245342756907616 -0.021731095216340833 -0.007243279229855056 -0.005888218076287636 -0.007243279229855056 -0.019063009616723525" free_energy=-573.66116903 pbc="T T T" config_type=melt 
Cl       2.25065918       1.84086651       1.84771015      -0.01910811       1.01816878       0.00139347
Cl       4.32516649       6.46714106       5.78092290       0.55928682       1.17240267      -0.24710144
Cl       4.94179970       4.33244085       8.56044445      -1.75328809      -0.46312138       0.14827147
Cl       5.88650873      11.87770596       0.37678408       0.76638635       1.61689922       0.87590740
Cl       6.86541201      10.90738115       3.72114376      -0.63777878      -0.00639845       0.44815202
Cl       6.89139868       8.03916751       8.05359657       0.46545040      -0.75476999      -0.89681818
Cl       4.76886627      10.58476111      10.10373241      -0.61496686      -0.94461509      -1.42887874
Cl       8.83757585       1.27765435       2.11236268       0.76238716      -1.47646648      -0.11796559
Cl      11.40489680       3.89881510       2.09944113      -0.30444617      -0.44187592      -0.36253872
Cl       9.80504116       1.72933438       6.19771474       0.11987139      -0.35428799      -0.03159052
Cl      11.85577521       3.65429866      10.15126697       0.87294377       0.60850570       0.90353953
Cl       8.32259218       3.15990572       9.58340065      -0.20933019      -1.18589929      -0.35235200
Cl       9.51479678       0.42256705      10.91624677       0.80390593      -1.35528695       0.21228705
Cl       8.71776434       5.96128623       3.09334776      -0.05388323       0.69464036       0.35884124
Cl      11.58627710       7.13452726       6.34697063       0.87328426       0.79263864      -0.91566316
Cl       8.42662264       4.26807238       6.71915918      -0.99717723       1.83818973      -0.26518189
Cl       8.43253305       6.02665971      10.75861580      -0.11000944       0.69195909       0.62959920
Cl       9.79491928       8.75168342       1.49251104      -0.25963748      -1.05042281      -2.17695288
Cl      11.36744823      10.68102667       2.81911175       1.00760840       1.38639501       0.28017771
Cl       9.93608723      10.17488469       5.89910724       0.77943068      -0.21847830       1.13027030
Cl       6.02112019       4.54086070       1.61643830      -0.81909162      -0.04606175       0.12528776
Cl       7.10601609       0.18396103       7.95460313      -0.49569543      -0.76184718      -1.10035982
Cl       6.58016875       8.41263625       0.78768943      -0.30341610      -1.18507434       0.17266748
Cl      10.85059811       8.82728646       9.37908459       0.53247333       0.46137371       0.94589286
Cl       2.63234747       6.71290180      11.22939101      -0.70499403      -0.50919389       0.34509274
Cl       1.25894203       3.60163137       6.69332804       0.76541222      -0.31580679       0.32133995
Cl       5.65073826       2.38489975       5.63880976       0.06876761      -0.31365428      -0.23202267
Cl       0.46475353       0.57542423       7.90302460      -0.08808103      -0.53800230       0.43891345
Cl       2.93495107      11.32313209       5.55174482       0.29558609       0.37675307      -0.77377167
Cl       2.08338490       0.36149119      10.92020699      -0.01002727       0.04092262      -0.00912904
Cl       3.12932471       9.59084251       2.10523190       1.38407211       0.89123757      -0.01892638
Cl       1.75187531       5.72662845       2.96640548       0.48630205       0.70745662       0.12638413
Cl       2.61979681       9.11920586       7.96038193       0.04733158      -1.23367876       0.96112832
K        1.66926112       6.22336641       8.12575387       0.56430192       0.06349281       0.26145331
K        3.58348137       4.08653654       4.74910108      -0.43675117      -0.63073875      -0.36768945
K        9.82475849       6.48600892       8.20068691      -1.11749826      -0.31600517       0.54542673
K        2.79201238       3.28855891      11.05807277       0.68052391      -0.02840363      -0.66727594
K       11.37418418       5.80870424      11.84128632      -0.30445871       0.77829921       0.33036054
K        8.63464766       8.83192865       3.92122442       0.37966053      -0.57472881       0.31516924
K        3.35169505       1.60215280       7.67695726       0.38812835      -0.05880118      -0.06148183
K       11.08768466       4.62933743       5.44507023      -0.83077166      -0.21533359      -1.26353148
K        8.29312386       3.31403112       3.74127984      -0.68747012      -0.07074967       1.01613648
K       11.76788473       1.51434607       4.11423412       0.25915006      -0.54815213      -0.16564785
K        1.52262544       8.39106444       4.27497584      -0.33050800       0.40294900       0.92192490
K        4.55752711       0.77184259       3.03894564       0.56216054      -0.23159508       0.48485071
K        8.45399718       3.37930889       0.41360572      -0.08920850       0.44196818      -0.12265399
K       11.69674441       1.33324095       0.27972648       0.27463889       0.64590169       0.81757428
K        7.85513110       9.47515872      10.34643026       0.52480319       0.40285210      -0.05740038
K        4.46114190       7.05667491       2.53806799       0.31101869      -0.40368265      -0.25440735
K        5.32679017       9.38168087       6.09714199      -0.57452428       0.91226147       0.15087147
K        0.79657898       8.83958587       1.19454843      -0.90101952      -0.68605523      -0.86687105
K        5.22235292       7.73132349      10.39090193      -0.56085655      -0.60377445      -0.45222153
Li      11.04257887      10.72704175       8.28490432      -0.49850153       0.15511328      -0.69098674
Li       6.63075423       6.56072660       5.72242895       0.20709773      -0.79987942       0.74314377
Li       3.86628390      11.23847199      11.95049737      -0.18675409      -0.02100263       0.27055354
Li      10.01900052      11.01455825       0.89762193      -0.60899411       0.06553879       0.71009120
Li       8.51606849      11.70422216       6.02871759      -0.37093728       0.87198238      -0.03185532
Li       6.35189996      10.23823619       1.58675462       0.00562207       1.05036329       1.08371267
Li       2.13308502       4.23339955       1.43478281      -0.52838703      -0.23540994       0.89541138
Li       1.85229251      10.34915814      10.15348038       0.50499337      -0.72711995      -0.98228703
Li       8.20787751       6.94894745       1.10220360       0.24345669      -0.25112820      -0.17241589
Li       1.82203455      10.83668351       7.30165796      -0.60490643       0.86116781      -0.62557095
Li      11.10780878       2.61420944       8.60291807      -0.76419422      -1.17229673      -1.64592405
Li       7.05557418       2.46888983       7.53215213       0.25316192       0.03413863      -0.34494415
Li       6.86697934       4.71249001       8.90432523       1.70788649       0.66206844       0.33135149
Li       7.87396307       0.67187285       9.76359648      -0.68043197       1.08415925       0.39923991
66
Lattice="12.032 0.0 0.0 0.0 12.032 0.0 0.0 0.0 12.032" Properties=species:S:1:pos:R:3:forces:R:3 energy=-573.46295467 stress="-0.018268178782552363 -0.0017557008156787607 -0.0036605588696404477 -0.0017557008156787607 -0.0257000990499037 0.004834148613485997 -0.0036605588696404477 0.004834148613485997 -0.018698076923030833" free_energy=-573.46295467 pbc="T T T" config_type=melt 
Cl       1.82474906       3.40639155       0.66086963      -0.44554758       1.00930284      -0.38398222
Cl       5.73872256       2.05079424       0.81691384      -0.07822258      -1.03509519       0.04255584
Cl       4.21166925       1.11345091       5.31964800       0.38208184       0.29999264      -0.79231470
Cl      11.82187315       0.78035461      10.61589376       0.00508021      -0.69551142       1.73365907
Cl      10.64298982       1.03495053       7.42640307       0.66757551       0.27674966      -0.39886033
Cl       7.25102464       0.29161718       6.28385638       0.15870746      -0.19517396      -0.65588885
Cl       6.50690560       3.24833920       8.81298278      -0.05849729       0.63465981       0.16872604
Cl       9.43341286       3.96207744       5.48451046      -0.14029872      -0.20753209      -0.26724499
Cl       7.02736179       7.15715098       4.57567334      -0.20190263      -0.17006246      -1.18578279
Cl       9.39556019       0.98025426       3.22047309      -0.29267353       0.52892710       0.58108524
Cl       4.35549978       4.35168563       3.64805427       0.29464728      -1.58757273      -1.05769071
Cl       4.77622272       6.17281306       6.97599718      -1.73716844       0.23004258      -0.18092532
Cl       8.40751642      11.60670490       9.21293850      -0.35935678      -0.13721531       0.99881476
Cl       5.79716198       6.53438669      10.26526925      -1.06055902      -1.85629077      -0.01988823
Cl       5.67560269       9.49205683       0.91244431      -0.23678586      -0.37985103       0.67134052
Cl       3.98504653       9.65862784       4.48976486      -0.16684244       0.68001860      -0.64854586
Cl       3.03898240      11.63562982      11.85812557       1.06378663       0.45801406       0.31680495
Cl       9.04453862       3.52520755       0.08165794      -0.82568841       0.65198401      -0.00816615
Cl      11.73168128       3.96365363       9.66762778      -0.30808435       1.93487829       0.04844776
Cl      11.17192858       9.33644698       8.79651098      -1.36566359       0.20812935       0.31387747
Cl       8.36967578       6.97751322       7.53664026      -0.44911571       0.79981092      -0.01186883
Cl       0.09679588      10.99628544       1.58515584      -1.58877670      -0.99001600       0.68695318
Cl       1.29510042       7.74600909      10.64095642       0.90862996       0.15095666       0.03948244
Cl       8.46617242       7.07251789      11.55258496       0.72362831       0.64459459       0.54242938
Cl       0.93332344       5.70219341       6.36153498       0.02981075       0.72247902       1.21870181
Cl       0.14964198       6.48128947       3.21422848      -0.28923278      -0.32001012      -0.60618965
Cl       3.90079846      10.13686374       8.94005274       0.44553725       0.40971860      -0.14942953
Cl       3.11005542       6.86745651       1.64152576       0.67057511       0.21081297      -1.53498656
Cl       7.94693146      11.81234381       0.76014205       0.74501258      -1.95065814       0.48242054
Cl       2.64633011       2.31836186       8.38115430      -2.41227686       0.35514558       0.08556687
Cl      12.00218470      10.12663654       5.46600525      -0.93043287      -1.16863191      -0.36838630
Cl       0.85465341       1.29911910       3.79735936      -0.53461534       0.94760586      -0.02197328
Cl       9.00810573       9.56175821       3.58410419      -0.64626574      -0.78369252       0.14088583
K        9.39109632       6.25383654       1.96063846      -0.06579253      -0.27036448       1.27841667
K       11.11482470       2.14446336       1.09303982       0.73664119      -0.31702399       0.61972891
K       11.88020429       5.89758106      11.79539072      -0.49131373      -0.97561011       1.26504821
K       10.51085440       7.46164480       5.79736653       0.27567289      -0.30989306      -0.35472591
K        8.66966963       5.22269414       9.51675853       0.49252156      -1.08815280       0.51908844
K        6.35555507       9.04825651      10.03015194       1.04266915       1.11495966      -0.12266314
K       10.09158733       9.41727795      11.60189210       0.05413840       0.54391771      -0.30396173
K        6.01358157      11.74715443       3.50202189       0.31541592      -0.06488356       0.18664936
K        3.16795341       1.59105152       2.10958259       0.39432438      -0.32409821       0.83007170
K        2.53108762       3.45638451       5.63539174      -0.31317831      -0.09247677       0.23530919
K        3.53939328       4.53921638       9.71564749       0.39097803       0.67630581       0.32404448
K        1.74504909       8.97992678       2.83088896      -0.60303560       0.44311610       0.19365908
K        5.80393600       9.09875482       6.35932109       0.86971287      -0.13321480       1.35968343
K        1.61854464       8.85178598       8.18249395       0.66732929      -0.30581845      -1.91039368
K        7.01659315       2.76142822       4.05388160       0.06833515       0.25172001       0.42307496
K        1.80719437      11.90654234       5.99319936       0.42201683       0.44210191       0.82522756
K        4.78914509       1.06451195       8.12804915       1.98205309      -1.68725855       0.03347636
K        5.91376410       4.73732326       0.75742282      -0.06780309       1.31370094      -0.12534384
K        3.89958323       6.81024435       4.26423706       0.09462407       1.04684510       1.34983226
Li       7.94575232       2.04673946       7.72371379       0.99012361      -0.92006401      -0.39535506
Li      10.87371546      11.54824141       9.28822272      -1.20599842      -0.42198492      -1.43460493
Li       6.47594726       8.75471181       3.04283264       0.18037126      -0.34412643      -0.19999381
Li       9.66544998      10.66927974       5.46436890       0.29305354       0.70513534       0.40514869
Li       1.04297106       0.04824591       0.22123840       0.23696838       0.69773889      -0.96199634
Li       5.73247795      11.62934912       0.47922614      -0.28887864       0.34284338      -0.51794291
Li       0.38042417       2.08914022       9.21663232       0.73424162       0.01327040      -1.79885887
Li       7.88725274       1.53695565      11.85831808      -0.08323545       1.49300819      -0.97746337
Li       2.18576922       5.22140672       2.55357542      -0.52562421      -0.81144412      -0.18242361
Li       0.64416922       5.96654848       8.85318170      -0.22848669      -0.30553804      -0.75737498
Li      10.66083328       2.04723277       4.69021798       0.25898608       0.19994515       0.76993811
Li       2.91019187       9.71032934      10.98117325       0.06447417      -0.83271119      -0.17576101
Li       9.65181773      11.08091853       2.31629235       0.54153790       0.52786858      -0.57532151
Li       6.57986765       5.60664730       7.64532531       0.80009161      -0.28432318       0.39615990
66
Lattice="12.0192 0.0 0.0 0.0 12.0192 0.0 0.0 0.0 12.0192" Properties=species:S:1:pos:R:3:forces:R:3 energy=-571.51970104 stress="-0.01787672335132354 0.0015273280787096604 0.0024371695537850654 0.0015273280787096604 -0.022167786403140606 0.0012647157895664634 0.0024371695537850654 0.0012647157895664634 -0.022844900209393944" free_energy=-571.51970104 pbc="T T T" config_type=melt 
Cl       1.37324168       3.72762267       0.41336312      -0.28239378       0.63064408       0.16447584
Cl       5.15027528       7.90719130       0.30669633      -0.19933174       0.17977553       0.14616800
Cl       7.48285344       6.13040498       1.26796550       2.21496652      -0.28516957       0.44252915
Cl      10.43831462       9.21776486      10.06255837       0.56308781      -0.43591429      -1.19252306
Cl       8.25916155       6.05252056       6.03545330      -0.45590963       0.25829694       0.45642383
Cl       6.71035542       6.33937079       9.61504750       0.17481269       0.14209356      -0.30086106
Cl       5.38081555      10.84511647       1.79599300      -0.01437251       0.41000305      -0.39737597
Cl       7.83702321       8.72367959       3.61768305       1.50534707       0.25129422       0.18098807
Cl       4.85855727       8.08770766       4.10145585      -0.46544775      -0.05085239      -1.48751158
Cl       4.55864218       9.69849681       9.33752417      -0.01682858       1.51788572      -0.25415280
Cl       9.71483090       2.89224019       1.98646126      -0.85927886       2.83974267       0.28958678
Cl       9.32296892       0.40265041       3.77762254      -0.36329145       0.19022646       0.84601657
Cl       8.98217652       2.96778086       6.43493545      -1.70513713       0.60096103       0.68023379
Cl      11.20362516       3.47899350       8.86241722       2.00667460       0.85450909       0.01992928
Cl       8.04350104       1.25829005      10.56772535       0.46786857       0.55499157      -1.59963935
Cl      11.74519830       5.69875945       5.97577797       0.39963480      -0.01689344      -0.21741052
Cl       9.28870218      10.35069466       0.46908774      -1.05186686       0.19342346       1.29543386
Cl       0.13653811      10.10771451       3.24399410      -2.62556630       0.31318396       3.61881931
Cl      10.95825320      11.40338427       6.80829988       0.23354087       0.28668167      -0.18857682
Cl       7.95648204      10.37135566       7.66727604      -0.40180159       0.48613395      -0.95830589
Cl       5.60555055       3.46487094       7.67136257      -0.39560524       0.57693536       0.58298523
Cl       5.87963639       1.67952695       4.87175436      -1.21825267      -0.04944994       0.74648759
Cl       4.13934036       5.06514328       3.07740799       0.01962498      -0.49111537      -0.17218729
Cl       1.70635380       7.48374286      11.12324076       0.32250145      -0.23145915       0.23048918
Cl       6.07826569       2.05528320       1.06406699       0.21617400       0.05812249       0.12573888
Cl       2.08055958       0.01108206       1.08504290      -0.12449573      -1.36090676       0.42828986
Cl       4.14723698       1.61254395      10.49368708      -0.57707620      -0.20210750      -0.06926350
Cl       0.18982403       0.50134607      10.34141583       0.01237309      -0.19249871       0.09460998
Cl      11.89805368       6.94986202       2.30692919       1.52232100       0.54125089       0.50601051
Cl       2.67345469       9.62804026       6.05663113       0.21770897      -0.27618909       0.29761110
Cl       1.68271204       1.90837252       6.79631674      -0.13052247      -0.60857311       1.05633930
Cl       3.99279026       6.56671396       7.28285395      -0.57738524      -0.70955125       0.46780256
Cl       1.04647328       2.82607450       3.68482230      -0.13984787      -0.59932473       0.46586016
K        9.81895323       5.69686042       3.36947455      -1.65789082      -0.45165626       1.22980642
K       11.07897404       0.82955677       1.56188302       1.05413047      -1.06530231      -0.78969532
K        2.20837175       6.96269852       4.41461610       0.09713298       0.11305834       0.49733971
K        5.65109130       8.63803077       6.53524769       0.57161864       0.53893566       0.93758946
K        2.90219209       4.05462904       5.86916767       0.69428900       0.75867843      -0.47975871
K        6.67364878      11.19146173       4.74846140       0.41772206      -1.14260247      -0.47508391
K        7.50641107       9.23263261      10.10954143       0.13943257      -0.56603696       0.57010159
K        8.77298235       3.89947319       9.07656330      -3.18117313      -0.05576477       1.60745584
K        2.17882856       4.87929039       9.70799197      -0.12836494      -0.23548403      -0.00859772
K        2.47559462       9.52610542       2.54290214       3.13176239      -0.81364065      -0.56500402
K        5.69571859       4.73580518      11.85096726      -0.93292545      -0.94791333      -0.44434848
K        0.10857112       9.90559964       0.84301827      -0.46907041      -0.93386107      -4.47099444
K        3.66693773       1.63696696       2.53596707       0.61525241       0.80330662       0.51410609
K        1.18745009      11.69034267       5.20094822       0.02424181       1.07752279      -0.24534819
K        4.31389521       0.67157641       7.69708366      -0.34034224      -0.29449158       0.31966320
K        1.22954012       9.13855834       8.92007332      -0.05526007       0.54725508      -0.38510631
K        6.86427329       3.59704608       3.30476317       0.71875184       0.69114539      -0.43688457
K       10.32556251       8.26163750       5.80330245      -0.24160038       0.52084747       0.38451914
K       10.50921588       5.47559896       0.57142642      -0.36309848      -0.65147251      -1.87683030
Li       9.85844832      10.39235320       3.60458212      -0.32315348      -0.56910977      -0.49327885
Li       9.95223414       4.89676631       7.19494552       0.81871680       0.23650229      -0.87175236
Li       0.10661860       1.60688291       8.40533906       0.35053519      -0.59860861      -0.04229941
Li       4.74181478      11.54019642      11.43973514      -0.47041439       0.32805246       0.20246863
Li      10.22079114       1.90721868       5.43220965       1.67726607      -1.87042004      -1.61326740
Li       0.54498538       4.69275241       2.83984850       0.45425579      -0.04215552      -0.81794482
Li       7.71579756      11.74328604      11.83776056      -0.02642131       0.15581675       1.33278077
Li       6.85329976       9.17138277       1.54432297       0.15439552      -0.18381866       0.16332151
Li       4.55701958       7.81435500      10.16571917      -0.22599189      -1.04873109       0.38479070
Li       6.21473169       5.71643969       7.48150729      -0.16358783      -0.25150726      -0.11483270
Li       5.78556211       6.66168968       2.35119590      -1.26809682       0.62771999       0.80030998
Li       6.83715798       2.01861262       6.83933345       0.93058597      -0.07002629      -0.39512359
Li       1.81018767       1.67100534      11.94851508       0.00703701       0.45997868      -1.63733732
Li       9.84484259      11.50829987       8.65003795      -0.28195968      -0.44236717       0.91421439
66
Lattice="11.9482 0.0 0.0 0.0 11.9482 0.0 0.0 0.0 11.9482" Properties=species:S:1:pos:R:3:forces:R:3 energy=-571.33838995 stress="-0.022821833751226837 -0.0006580889000074966 -0.0001588929626702989 -0.0006580889000074966 -0.03125191978210147 0.003816274947856236 -0.0001588929626702989 0.003816274947856236 -0.027333829267919878" free_energy=-571.33838995 pbc="T T T" config_type=melt 
Cl       1.39035229       2.51066332       1.90612024       0.14160320       0.10902987      -0.06414443
Cl       5.45624112       3.07500070       5.49453510       0.78919891      -0.37551560       0.67912815
Cl       5.81287099       0.08678707       7.06096801       0.08421520      -0.10355249       0.19907879
Cl       6.57172507       3.07611188       8.87497958       0.52313917      -0.01771248       0.58750049
Cl       5.53194491       7.25969048       4.61644993      -0.73088584      -0.16121291       0.81770071
Cl       7.21383328       6.78495264       7.42063273      -0.86437148      -0.49086335       0.28093077
Cl       7.67279949       7.22242404      11.13459927      -0.32269537      -1.41580086      -0.49503705
Cl       6.42710405       9.78403448       0.39592392       0.61597446      -1.30898541       1.45250040
Cl       4.21110725      10.82480634       9.44524327       0.30967679       0.21840354       0.12388801
Cl       5.26873801       3.96724448       2.51556208      -0.40431703      -1.42759718      -0.77155147
Cl      10.23994195       2.40793269       2.73642456       0.27634371       0.58764894      -1.36272730
Cl       9.42864722       1.42712885       6.78562174       0.00363558      -0.45182429       0.14930861
Cl       8.99296806       0.16920324      10.79102878       0.15555798       0.28069693      -2.10006969
Cl       8.64998303       5.16152681       2.33081901       0.93721913       2.16763867      -1.56676827
Cl       9.00827370       4.62538718       5.85014937       0.21648944       0.36377595      -0.16143266
Cl      10.65683854       4.11566502       9.35386344      -0.40361026       0.04707987       1.19241261
Cl      10.70942257       8.46772518       1.36105531       0.60033137       0.49936877      -0.17829847
Cl       8.05877414       8.33078686       3.13887578      -0.69210734       0.48520415      -0.39599533
Cl       9.03919564       9.76808364       7.42763437       0.24275276       0.29256674       0.27056596
Cl       8.31297210       0.18197467       3.74364587      -0.83201759      -0.80306127      -0.33861315
Cl       0.35898486       8.77490146      10.26006272       0.24144890       0.24076180      -0.49776272
Cl       6.33838867       1.10341269       0.08065035      -1.23904261      -0.07647510       0.09689894
Cl       0.41699696       6.85317687       6.72407657      -1.54982961      -0.17497028       1.13620927
Cl       2.89155999       0.83188387       4.78414292      -0.84064544       1.44083821       0.63104056
Cl       2.84270380       9.78894519       6.90688403       1.45844156      -0.88540920      -0.40160927
Cl       0.64396258      10.45526046       4.18970802       0.19459459      -0.92406602      -0.53416567
Cl       3.90965416       5.19200667       8.31977062      -0.71104572       0.29936877      -0.06472084
Cl       2.67883423      10.94067998       0.21633411      -0.20313194       0.10717520       1.54836951
Cl       2.58775310       5.98334791      11.92590466       0.16782717      -0.11832248      -0.59146912
Cl       1.25936418      11.92068043       8.11619719      -1.24311161       0.91214888       0.43517246
Cl       0.72825354       3.60294387       6.07585087       0.76997760      -1.04913582       0.62483161
Cl       1.85765834       6.23353127       3.21099511      -0.00422000      -1.16202419      -1.00399485
Cl       3.08435614       2.33152396      10.59145799      -0.27630181      -0.32663138      -0.34387250
K        8.38533040       2.94259075       0.28748325       0.20053836       0.34610633      -0.36672212
K       11.54406408       1.00473728       4.57942246      -0.31482334      -0.03796070       0.96202601
K        3.57747030       4.92332750       5.07410184       0.02897548       0.22538054       0.42893152
K        5.93305793       9.08947367       6.69377593       0.11425918       1.16540787       0.01925734
K        2.17286381       7.85381472       5.19568672       1.27463055       1.33741412      -0.42097817
K        9.58251614       7.13564426       8.55535328       0.76177758      -0.84125758      -0.26334994
K        3.27925518       2.32626675       7.46116102       0.13839225      -0.36470269       0.22900426
K        9.92724561      11.67385738       1.17597171       1.09798836      -0.30467561       1.81700884
K       10.24818621       8.93959545       4.69375478      -0.02078521      -0.07560770       0.47571996
K       11.56148456       4.31289396       0.11196993       0.37457945      -0.09651393       0.91413807
K       11.54251082       4.98409604       4.16595500      -2.11921599       0.92610867      -0.65055114
K        9.34373136       9.25272192      10.45900025       0.29263749       0.98777775      -0.01298431
K        5.11654184       4.33923974      11.40754395      -0.09909711      -0.13450358      -0.23326130
K        3.97135466       7.95772822       9.23582717       0.06465154      -0.18420062       0.38392039
K        4.47334634       0.12977537       2.88166688       1.00346586      -0.08597987      -1.13527290
K        7.67732786       3.27037767       3.61767600      -0.46960302      -2.41606290       1.41651871
K        0.69514030       5.96586769       9.57075911       1.23692349       0.19608021      -0.48648578
K        4.77776258       6.43929122       2.25450586      -0.44150906       1.61648118      -1.77191941
K        1.55431744       8.23504594       1.33454225       0.05302755       1.05508301      -0.44362007
Li       5.56560299      10.97458897      11.07324048      -0.70084959       1.32863261      -0.44107293
Li       2.32736598       1.26722609       0.38393748       0.29277929      -0.02884754       0.16051898
Li       2.05059788      11.61068725      10.25757749       0.37056520       0.21307135      -1.00381469
Li       1.38765200       3.06930141       4.00989956       0.85366469      -0.62362329       0.01187545
Li       7.08382492       1.50878285       6.07365240       0.26524570       0.10603325       0.17767318
Li       9.40827554      11.81257598       8.46514437      -0.13968240       0.23691982      -0.27542990
Li       1.74440136      11.41177361       5.88607761       0.01234747      -0.41758121       0.48934791
Li       8.77416067       7.86864244       0.91759189      -1.01517952      -0.74356414       1.09864256
Li       7.48018256       5.95310701       4.25890005       0.30046798       0.59143758       0.32187026
Li      10.10704212       3.38355102       7.52994681      -0.37885287      -0.13069866      -1.31682363
Li       6.03864418       4.93264710       7.90599251       0.36286689       0.07410445      -0.55134120
Li       7.35188279      10.59409855       2.17114327       0.22840189      -0.26895426       0.90652825
Li       5.77997759       1.17917025       9.58655463      -0.22837506      -0.29776001      -0.18614162
Li       1.23158461       9.66808915       8.24866689      -0.81130696      -0.13209044       0.39348334
66
Lattice="12.0062 0.0 0.0 0.0 12.0062 0.0 0.0 0.0 12.0062" Properties=species:S:1:pos:R:3:forces:R:3 energy=-572.98097696 stress="-0.018574013859433795 0.0022358455637751873 0.00240992440525818 0.0022358455637751873 -0.02222678669610007 0.004109513854166958 0.00240992440525818 0.004109513854166958 -0.021222274928105106" free_energy=-572.98097696 pbc="T T T" config_type=melt 
Cl      10.19417627       8.55501781       9.98682920       0.83085140      -0.25083093      -0.19810872
Cl       6.05563913       2.36785076       0.86935333      -0.60597646      -0.62693388      -0.60517100
Cl       9.92952360       2.32096655       8.04069621      -0.71361889       0.25852405      -0.89525829
Cl       4.18375249       1.77648538       5.54289035      -0.79766211       0.14944623      -0.91053893
Cl       8.77708449       0.54480534       4.10158206       0.25265281       0.58732620       0.45440192
Cl       5.96274716       2.68015603       8.10430506       0.11345381       0.02106790       0.94354679
Cl       9.05380338       2.53399255       1.48696787      -0.32852933       0.32011311       0.02000808
Cl       4.53201633       5.15011952       2.36487322       0.74683783      -0.06483690      -0.47643279
Cl       7.81862954       5.91812012       1.73260272       0.81167958      -0.50722308      -0.08001478
Cl       4.23900502       7.25322156       4.51696056      -0.06740055       1.89308818       0.27420570
Cl      10.17164063      11.91821857      10.66605595       1.24843821      -0.67407027      -0.08966416
Cl       4.41580832       6.09070924       7.98095336      -0.59000080      -0.13015484       0.28290599
Cl       7.30989083       4.95535494       6.25578249      -0.15986825       0.66891928       0.96352089
Cl       6.97775131       4.85469496      10.50674568       0.52463347       0.35019949       0.73030906
Cl       5.31586511      11.71966003      10.25263446      -0.05974699       0.16765000      -0.30542990
Cl       5.27470786      11.30392134       2.64967229       0.57405019       1.00696480      -0.47767966
Cl      11.29608129       2.99451437      11.33462120      -0.45465426       0.58564402      -0.76483255
Cl       5.90694234       8.58786677       0.25498167      -0.32958201       0.64607439      -0.28982338
Cl       7.41177544      10.94028956       7.42970070      -0.27392442       0.31197324       0.23737145
Cl       1.28054527      11.84815038       9.13007877      -0.74418948      -0.34713274       0.79518064
Cl       2.82418241       0.28876352       0.36624913      -0.92432157      -0.48581925       0.04344117
Cl       0.90647530       2.71797556       2.82028039      -0.40884848      -0.13486208       0.40589003
Cl      11.22902667      10.30757483       6.92582449      -0.32729285       0.12453629      -0.36022054
Cl       0.78778681       2.44999718       6.99764558       0.98352231      -0.01515238      -0.08584616
Cl       8.62853177       8.99821468       4.95222133       0.23412078      -0.90136042      -0.05394642
Cl       9.23628562      10.15806162       1.17327948      -0.60178277      -0.75500864       0.56823643
Cl       2.69853752       3.19716702      11.28705263      -0.26382726       0.85221126      -0.58189068
Cl       2.94330792       8.77979789      10.22485211      -1.11351073       0.16801007      -0.17007177
Cl       1.31239772       6.73775938       0.19321217      -0.14869647      -0.11387891       0.46303612
Cl      11.18753324       5.40492710       8.36165796       0.04065506       1.45551881       1.66022589
Cl      11.38000463       6.13459190       5.26707192       0.17158559      -0.44818400      -0.30685726
Cl       0.96002416      10.44426542       2.91242798      -0.15718819       1.05591910      -1.06278031
Cl       3.21975068      10.18594002       6.43489098      -0.74048112       0.19377293      -0.43311182
K        9.89454954       5.78980986      11.17001619       0.03644003       0.06668064      -0.38082921
K        7.71202649       9.80677222      10.31659149      -0.21945140       0.52643838       0.26256491
K        8.82873516       7.22482690       7.59930028       0.17577410       0.04208980      -0.78799898
K        8.51873507       4.17352321       4.01326445       0.17832193      -0.29011595      -0.13621614
K       11.02733451       4.48945435       1.73642069       0.66374537       0.70413023       0.54751938
K       10.75744714       0.42053276       1.62120919       1.23556563       0.28941857       0.35012565
K        8.10615402       1.23284464       9.68835507      -2.02296701       0.55874521       0.18878196
K        3.66937086       2.53073887       2.37398593      -0.09014457      -1.25516052       0.28426065
K        5.86780213       9.78553325       4.81311749       0.24663784      -0.10740898       0.77865253
K        1.12766433      11.97470269       5.56247246       0.76726029       0.51275911      -0.70828334
K        3.45347537       1.36820254       8.33883417      -0.16814537      -0.01639261      -0.03517278
K        3.33938046       4.91706717       5.12340573      -0.26123861      -1.56926336       0.48189234
K        1.17189877       7.79382473       7.79087120      -0.17965557       0.20123935       0.12308203
K        1.93329836       4.61285408       8.81175839       0.00785337      -0.22238951       0.38236099
K        3.74597042       9.06421276       2.32650141      -0.38881634       0.07964647      -0.36284692
K        4.75534366       8.91319877       8.18860059       1.36335569       0.27501346      -0.08825136
K        0.78224595       9.98287916      11.95271238      -0.65775836      -0.32795036       0.18576274
K        0.74041995       8.57978660       4.65222241      -0.08284258      -1.08454261       0.91000867
K        4.36402558       6.67066873      11.16784307       0.20462740      -1.70345627      -0.06787642
Li      10.22659301       0.57251565       6.69598981      -0.75296489      -0.43140010      -0.67509252
Li      11.31842483       1.09140200       9.06318022       0.56521945       0.42595778       0.41039533
Li      11.23665060       3.92462267       7.01492250      -0.44479972      -0.39681703      -1.19814450
Li       7.52272473       0.83195522       1.70384787      -0.51089143      -0.50310496       0.57940002
Li       5.74186910       1.03567762       6.73437363       1.12560790      -0.63550642      -0.19158481
Li       4.56305236       2.20646342      11.10431827       0.82649555      -0.75957493       0.29468576
Li       7.50176191       3.88821988       0.63524564      -0.10943037       0.69141633      -0.21661718
Li       2.84160340       5.94374135       1.61051167      -1.16260430      -0.07667609      -0.19186902
Li       0.75513595       1.58855233      11.11517187       1.71209258      -0.56104982       0.39301990
Li       7.46993347       7.98545569       1.45932960       0.80686594       0.62843531       0.65889577
Li       9.41087978      10.54682238       3.75491504      -0.10067414      -0.47479155      -0.53061168
Li      11.22245928      10.53886227       9.08590796      -0.19364667      -0.42181850       0.48815664
Li       3.30566705      10.77420780      10.86272951       0.79530615       0.93079134      -0.09897602
Li       6.29307374       4.90980342       8.52687528      -0.08651596      -0.45685343      -1.34379540
66
Lattice="11.9865 0.0 0.0 0.0 11.9865 0.0 0.0 0.0 11.9865" Properties=species:S:1:pos:R:3:forces:R:3 energy=-568.1527464 stress="-0.022692778185619624 -0.0007903743155156643 0.005986978661073221 -0.0007903743155156643 -0.02971717071132037 -0.0022803732014112787 0.005986978661073221 -0.0022803732014112787 -0.027061738897644513" free_energy=-568.1527464 pbc="T T T" config_type=melt 
Cl       2.07748819       2.97280782       2.73685357       0.00927686       0.61397377      -0.06191633
Cl       5.77273436       6.48018958       0.63342300       0.28831212       0.28534302      -0.51139222
Cl       5.27842309       4.31662633       2.93268901      -0.08061697      -0.86081326      -0.19905265
Cl       6.27651497       6.64549540       5.17203091      -0.03177083       0.32655101      -0.82270176
Cl       7.83571889       5.97477880       9.99669305       0.26343255       0.62165885       0.22494633
Cl       4.98725901      10.17306241       0.74069618       0.72643294       1.76326185      -1.05834983
Cl       7.82831123       9.70407862       4.72904583       0.26597612      -0.25240499      -1.42360519
Cl       4.38880903      10.46241653       9.03510006       0.44812799       0.26421321      -0.13049262
Cl       7.48114623      11.12697206       7.69040655      -0.07173254       0.68235735       0.46028189
Cl      10.91729221       3.46997189       2.10738252      -0.24111156      -0.06689701      -0.20117259
Cl       5.15858206       2.42117711      10.33260273      -0.38615980      -0.17246675       0.50418109
Cl       8.88903258       1.07738138       5.41642366      -0.17286400       0.68823126       0.12703912
Cl      10.59050426       0.50212527      10.84820203       0.29897868       1.52716454       1.79483569
Cl       8.48876738       2.86485741       9.13678154      -0.12902016      -0.84832281       0.05822640
Cl       0.00035959       3.70828748      10.65488376      -0.16731887       0.21553437       0.81343507
Cl       9.12306899       6.51908577       1.94171711       2.17105731      -0.18631198       1.54384289
Cl      11.29619746       6.27747389       8.64823578      -0.51516110      -0.90502708      -3.87550411
Cl       9.23028823       4.64337832       6.49488503       1.25023249       2.86331841      -1.63480745
Cl      10.80192215      11.85579920       2.64057800      -1.40215606       0.26943817      -0.50712360
Cl       8.33042572       9.51304977       0.24305266       0.56520652      -1.46809694      -0.65703539
Cl      11.00808995       9.50186636       5.94354198      -0.03012335       0.35134516       1.24825012
Cl       0.03619923       0.51657859       7.90942388       0.09088614      -0.76584659      -0.07753600
Cl       5.80626060       3.30379105       7.20738656      -0.15974395      -0.52501850      -0.69150395
Cl      10.13007883       9.99065186       9.57033325      -0.10543987      -2.42628005      -0.64692939
Cl       2.05083022       6.89562968       4.17212907      -0.66080545      -0.24034442      -0.84228435
Cl       1.65178765       6.67220132      11.75127692      -0.61472764      -0.66973511       0.91932890
Cl       1.82650287      10.86642151       2.89696924       0.77864890      -0.63179998      -0.80058129
Cl       3.58845844       6.59184382       7.28505908       0.36592883      -0.00445703       1.14437108
Cl       1.36058762       9.32435828       8.99852925       1.07971002      -0.38587773       0.76018805
Cl       3.74901760       0.13883603       5.78310268      -0.21821417       0.81470985      -1.64349245
Cl       7.16490640       0.69383735       1.54872772      -0.12969236      -0.12907813       0.02251734
Cl       2.40523506       0.22846629      10.77561178       1.95264622       2.81539141       0.55637124
Cl       1.03756463       3.03461022       6.60047410      -0.45201867       1.03531979      -1.02823731
K       10.67191657       7.09773406      10.71000967      -1.08028263       1.80265639       3.97518858
K        3.13396632       1.68602109       7.69224048       0.47091586       1.05173646       1.97069073
K        9.23489105       3.83668687      11.81570436      -0.31788892      -0.56430889       0.34712445
K        3.48985749       4.42430106       5.28587869       0.57106569       0.26292551      -0.32263068
K        7.84691428       2.96994305       3.52742318      -0.01725145       0.44999593      -0.19368230
K        1.02568720       7.61091208       6.96308970       0.13706459      -0.07876436      -1.57343553
K        2.36412137       3.26563802      11.74753714       1.79208200      -0.21683053      -0.16324639
K        1.46103448       4.88730359       8.59173142       1.77573112      -0.21529453       0.10064588
K        8.32030911       7.07485183       6.96469589       0.12186358       1.14796713       0.32941507
K       11.35368472       4.93528555       4.43599988       0.34805638       0.15255944       0.38960767
K        5.26973287      10.11024117       5.92982943       0.67090816      -2.49937450       0.16727613
K        0.78631800       0.79140147       4.67409972      -0.41504860       0.14464085       0.47627405
K        3.87413269       8.14118285       1.73331982      -1.48506420      -1.41689343       1.87422641
K       11.10767379       9.26802173       3.28838840       0.16149481      -0.92516902      -0.63925844
K        3.61784934       7.92296862      10.44908754       1.05885517       0.22396574      -0.92303074
K        0.84641231      10.45564415      11.45704431      -2.27019394      -2.04842214       1.57162333
K        0.67187449       1.10750945       1.00919737      -0.79903241       0.27054517       0.12715482
K        4.06603656       0.95236458       2.35737297       0.68450412      -0.21121568       0.15614490
K        6.95323680       9.08183543       9.60040738       0.14758317      -0.39798231       0.34548795
Li       8.83595635      11.29900231       1.11729523       2.08151464       2.03396185       0.02828671
Li      11.78994537      10.19774262       8.03131459      -1.32878915       0.64645312      -0.65486695
Li       6.22366649       0.99839035       6.42118004       0.30611142       0.39453922       0.34174223
Li       8.92579517       2.90025354       6.86810868      -0.99928093      -3.87862756       0.81085928
Li       1.79584140       5.19677105       1.60319437      -0.14797702       0.30867762       1.03175613
Li      10.59357281       3.13207245       9.28908201      -0.01688830      -0.63428071      -1.07193209
Li       5.16602568      11.86554423      10.89977994      -0.35224990       0.30391473      -0.12725299
Li       7.16548175      10.28801295       1.73137801      -1.94854625       0.24004214       1.29253112
Li       2.00045096      11.51303325       8.89021924      -0.16238934      -0.69647883      -1.01273545
Li       9.45329706      11.37251551       6.63151914       0.29901988      -0.75137016      -0.48367809
Li       7.99945448       6.44365472       0.38354283      -2.18778223       0.38173222      -2.01819742
Li       6.48859211       4.24240592       9.31105327      -0.17463603      -0.65512096      -0.26241476
Li       9.27734723      11.85881621       9.37634373      -0.86383475       0.78382205      -0.47577093
Li       7.51350978       7.36186857       3.07995515      -1.04581089      -0.00903560       1.22200060
66
Lattice="11.4579 0.0 0.0 0.0 11.4579 0.0 0.0 0.0 11.4579" Properties=species:S:1:pos:R:3:forces:R:3 energy=-568.14677786 stress="-0.04884905415167072 -0.0035394280670307484 -0.002801640232247733 -0.0035394280670307484 -0.0432215017564186 -0.005449093462392883 -0.002801640232247733 -0.005449093462392883 -0.03251479709146434" free_energy=-568.14677786 pbc="T T T" config_type=melt 
Cl       1.39172237       1.69343179       2.03634382      -0.44335947       2.17270120      -0.75220090
Cl       3.91268952       7.44155086       3.98969807      -0.23829350      -0.03486936      -0.16043612
Cl       5.56609887       6.81491830       6.88486878      -0.17841201       0.19755670       1.02692616
Cl      10.42875142       9.86046250       9.21061624       0.38730574      -0.59698408      -0.51259178
Cl       7.22983178       4.04727402       9.80714889      -0.09521974      -0.93124624      -0.23686275
Cl       6.55280738      10.89643998       1.11631455      -0.03433712      -0.79355165       1.04635517
Cl       5.30819300      11.27235077       5.12761649      -0.94400950      -1.26528246       0.07403789
Cl       6.57072754       9.64952256       8.89036794      -0.64481591      -0.09295049      -0.53439036
Cl      10.15628256       0.13741230       1.11585624       0.68416138      -0.82193125       0.57867045
Cl       8.41994094       3.16146377       2.21273819       0.62591183       0.74863643      -0.98324639
Cl      11.37306571       1.26993635       5.78483018       0.19617402       0.75249780      -0.30320869
Cl       8.76854754       1.31689082       8.52057567      -0.23881236      -0.80826875       0.17750282
Cl      10.84847721       2.93255784       9.40317771       1.54573205       1.33668915       0.34842420
Cl      11.16819846       5.16456822       0.72729020       0.86444094      -1.09378962       0.24521045
Cl       7.90545831       5.74029332       4.93211034       0.24503721      -0.43586468      -0.62575400
Cl      10.87615950       5.78296254       6.60626995      -0.33877985      -0.59678641       0.14248150
Cl       9.34589967       6.39959234       9.91709890       0.65232586       0.50688069      -0.12103900
Cl       9.95782027       7.75338906       1.77257150       0.58873634       0.51141111      -0.27251083
Cl      11.02201857       9.38367636       5.22074630      -0.73632342       0.39334602       0.94702455
Cl       7.95762613      11.27167475       6.08185332       1.61304630      -1.95818765       0.36131707
Cl       6.41787915       7.14708283       1.28985018       0.42784698       0.20814777      -0.26803066
Cl       5.23065739       0.82822055      10.07132223      -0.17055482       0.90899099      -1.95400885
Cl       3.91634459       5.40195299      10.79296369      -0.13019574       1.11546153      -1.93462763
Cl       2.57590779       3.90113996       7.84038890       0.12270209       1.22748153       0.08729578
Cl       2.03840624       8.40281138       0.67550049      -0.54117665       0.71268708      -1.18918712
Cl       1.69075064       4.68531864       4.13088231      -0.02188397       0.61931898      -0.21732446
Cl       2.80369084      11.11873470       3.33837374       0.30489572      -1.87245082       0.73093262
Cl       6.30022944       2.40308828       6.38025141      -2.07459019       0.04851337      -0.47450971
Cl       1.34392001       0.38525126      10.09719417       0.61542735      -0.36647624       1.00255487
Cl       3.16079921       9.05691997       7.31159535       2.22645462      -1.08080012      -0.07618781
Cl       2.83012422       0.82177663       7.16968926       0.81997491      -0.04807330      -0.13784450
Cl       5.38052672       2.48308734       2.82897843      -1.20162903       1.01203830       0.16457711
Cl       0.94936378       7.20250469       9.02248898       0.93670109       0.93318708       0.78131433
K        2.53101574       3.04643791      10.93651972      -0.94431030      -0.34762729      -0.45105345
K       10.19724455       4.57606756       3.69300721       0.88727017       0.40727166       0.55603937
K        2.80814796       6.00654054       1.68007188      -0.33654072      -0.61695036       1.22722425
K        8.07833511       1.46930381      11.43222285      -0.59142185       0.88452817      -0.96679555
K        8.80413578       9.67561220       3.21153479      -0.23050344       1.26811621       0.18427919
K        3.06356747       2.49341091       4.95959785      -0.11665581      -1.62838006      -0.99927027
K        2.18458613       6.57359201       6.36391244      -0.46148041      -0.12208118      -1.06687838
K        8.74685774       8.54872773       7.39027675       0.06925435      -0.87780509      -0.92146515
K        8.00283900       4.14102255       7.13302398       1.98543206       0.89419468       0.88692917
K        8.47512218       9.58015643      10.80848914      -0.91868365      -0.29630008       2.05308017
K        3.96455944       0.97774958       0.97736460      -0.21469844      -0.82795044       0.93776154
K        4.50680455       9.26546521      11.02759857       0.35596623       0.14607069       0.00604781
K        7.55612986       1.16486740       3.81619109      -0.09703830      -0.11289020      -0.23417976
K        6.77784054       7.99436016       4.29887804      -1.10604986       0.73121098      -0.11546892
K        1.01967633       8.60498602       3.15869096       0.65071416      -0.72077082       0.13881098
K        1.12423540      10.41272182       7.73861983      -1.07753315       0.00888914      -1.00697153
K        6.81449436       6.73432344       9.55375743      -1.90175615       0.36169463      -0.10015306
K        5.96945132       4.34169622       0.66042190       0.51946421      -0.57800977       1.50117386
K        4.79947369       4.57541446       5.53371884       0.28515813       0.67732064      -0.99277330
Li      10.09161417      11.31725428       6.73947949      -0.92110744      -0.02485351      -0.34302580
Li       4.00769843       2.28176058       7.97224641       1.12914400       0.11071809       0.66937853
Li       0.70241510      11.42545764       3.08022726      -0.61015295       0.41298034       0.26963526
Li      11.00595459       7.13121363      11.05062894       0.61971272      -0.26865341       0.41134108
Li      11.13183108       2.62137274       1.00909954      -0.62017530       0.16137275      -0.19435652
Li       0.01122874       5.33317122       8.83795950      -0.99648663      -0.93249515      -0.12113970
Li       3.18050680       6.66447608       8.64673861       0.49496920       0.00821712       0.69062896
Li       0.67627963       9.56154880      10.71549683       0.42116480       0.64380588       0.13251684
Li       8.63817956       6.30026381       0.97948316      -0.29230629      -0.75811632      -0.37293984
Li       3.98736066       9.43037876       4.95531259      -0.28122193       0.82168034       0.12715516
Li      10.72735575       0.51299997       9.22175332      -0.05144107       1.39574577       0.74038711
Li       5.08462645      10.92775442       7.56455141      -0.78111170      -0.64186400      -0.52882322
Li       0.60805127       2.83791559       7.38287495      -0.35788438      -0.20685722      -0.04916418
Li       6.69887269       1.16728502       7.96679245       0.66582859      -0.58024479       0.97140598
66
Lattice="11.9827 0.0 0.0 0.0 11.9827 0.0 0.0 0.0 11.9827" Properties=species:S:1:pos:R:3:forces:R:3 energy=-570.03860835 stress="-0.021462742292937598 0.0021313492255896987 -0.0018282644821876058 0.0021313492255896987 -0.01908514026670286 -0.005297206924516371 -0.0018282644821876058 -0.005297206924516371 -0.030206184862337497" free_energy=-570.03860835 pbc="T T T" config_type=melt 
Cl       2.56828804       2.60997585       2.71549551      -0.44571254       0.34302032      -0.01244581
Cl       5.57710806       2.17257135      10.96747773      -0.33609355      -0.50296135      -0.42354444
Cl       5.60435672       7.34096150       1.37095269       0.03101257       0.51476467       0.20562871
Cl       4.99690573       7.37336272       4.96920172       0.05322775      -0.51469033      -0.54424028
Cl       7.21201567       6.21470753      10.38354877       1.38054504       0.50213110       1.13859536
Cl       7.62165625       9.86478174       3.31586473       0.85207982      -1.82582639       2.68896049
Cl       7.62166823      11.77956927       7.72036973      -0.37052741      -0.65679244      -0.56818481
Cl       4.26431940      10.84986752       8.53808116       0.84040457      -0.18625935       1.55130196
Cl       4.28480981      10.51299788       0.05883506       0.70585421      -0.29921517       0.49306360
Cl      10.78524482       3.26033689       2.41440621       1.63917364       0.23966042       0.86023956
Cl       9.40018850       1.44469423       5.27609065       0.08338251      -0.50978356      -0.05840203
Cl       9.74332509       0.26639340      11.16773261      -0.14849080       0.62225711      -0.21190328
Cl       8.11652978       3.09084160       9.48546937       0.49590920      -0.38014509      -0.94602324
Cl      11.69370124       4.00889616      10.24499281      -0.69599973      -0.26328084       0.14005928
Cl       9.06197679       6.15105543       2.46562027      -0.84503987       0.82874188      -0.39637275
Cl       0.20394555       6.45802823       7.33627627      -0.80998759      -0.72868004      -0.03861289
Cl       8.71016472       4.47224321       6.19521168      -0.46395356       0.97575644       1.19837765
Cl       9.22374324       9.41568213       0.30567388      -0.96102086      -0.86328141       0.94388369
Cl      10.78701826      11.77900608       2.31354782       1.50468946       0.56544830       1.10438343
Cl      10.13563869       9.26103340       5.51882421       0.19357624       0.31235598       0.44229396
Cl       5.84296823       2.63984872       5.90889704       0.60359472      -0.43067007      -0.00544866
Cl       6.12801269       3.87629561       1.89629822       1.68611618       0.74968003       1.66932468
Cl       5.14689318       6.04228846       8.48782572      -2.06114355       1.07168167      -1.35419883
Cl       9.80631815       8.69367652       9.59429625       0.08946941      -0.14500970      -1.72939835
Cl       7.07429850       0.71584051       2.74901112       0.42417270       0.46110931      -3.85001918
Cl       2.03622021       1.19531866      10.76729474       0.29897332      -0.15460162      -0.24635866
Cl       0.60342720      11.81953157       7.74814563      -0.88778988       0.63207064      -0.30381410
Cl       1.38255194       9.91728993       2.95187823       0.06929600       0.12673674       0.18363591
Cl       1.59875580       6.48518103      11.90134633      -0.14859528       0.48359541       1.05655806
Cl       2.34709938       3.98339698       7.10515395      -0.93421254      -0.17554406      -0.92271814
Cl       0.79763202       6.09574328       3.53584313       0.88621523       2.08349635       0.10247593
Cl       1.36130662       8.98513173       8.47087020       0.65258663      -0.15552663       0.53633470
Cl       3.39983949       0.14340296       5.71125439       0.16971679      -0.28895939      -0.99162616
K       10.22381938       6.77030938      11.94714733       0.85997881      -0.53853289      -1.29466708
K        0.36751660       1.16451114       4.92999433       0.50443825      -0.50842403       0.05458164
K        4.11339729       4.04369392       0.37630471      -1.72175121       0.39313701      -0.70866021
K       11.22584870       4.77296105       5.25037578       0.13165237      -0.17015538       0.08260573
K        3.64565260       1.94426497       8.36426012       0.45681611      -0.63748290      -0.41015849
K       10.36461611       8.61576501       2.76869870       1.08149883      -0.04615442       0.35544337
K        8.64531434       3.82080372       3.56264843      -2.46283401      -1.61588386       1.00911935
K        3.01908920       7.83548753       2.06772273      -0.45496498       0.01477860       0.36791901
K        0.43612235       2.01670039       0.81341683       0.60253481      -1.09309761      -0.99509895
K        7.99526485       7.79118749       7.03525886       0.51119995      -0.82000281       0.27838775
K        9.45674684       3.02248030       0.10892059      -1.16669979       0.06629734      -1.18048444
K        3.96163640       4.42493551       4.62049317      -0.06415118       0.00599650       0.29705172
K        5.66206540       9.67770783       6.44163590       0.01604959       0.79775688      -0.33403462
K        3.63408929       8.11791977      10.34214854       0.00222770       0.20832129      -0.35649560
K       11.88656531      10.35101574      10.94286526       0.71155455       0.10941412      -0.18706233
K        2.09366527       5.26258615       9.59866994       0.41941295       0.02777525      -1.17774012
K        4.53648246      11.77033061       2.71436913      -1.81331896       0.32888422       0.55911209
K        6.95674821       9.46151595      10.51629312      -0.08797501       0.10885275      -0.53364409
K        1.71400541       8.36988000       5.58736525      -0.16064462      -0.21408306      -0.16364908
Li       9.42986964      11.01116665       3.82310440       0.08080424       0.57507328       1.30266010
Li       8.01190882       2.33793261       7.20180641      -0.35073742       0.24582522      -0.34402618
Li       4.11500297       0.44666353      10.78812067       0.09715235      -0.29946923       0.04938297
Li       2.58538735      10.82036612       7.26640514      -1.03150334       0.18052164       0.34636527
Li       9.29202066      11.27023262       1.17213693      -1.28294268       0.78736786      -0.93219735
Li       6.67846198       5.83704877       3.33280826      -0.42454929       0.54850705      -0.36547808
Li      11.61090078       4.23557290       7.84787764       0.24459374       0.28294416       1.00935559
Li      11.14768555       9.65981766       7.80084554       0.14975411       0.00523676      -0.10679231
Li       6.15243344       4.48877933       9.29371022       1.15859962      -1.21047261       0.52229999
Li       6.69595673      10.30731483       1.72919947      -1.19560161       0.39959461      -2.39304263
Li       0.65840862       4.34493900       2.66115396       0.72722823      -1.30814674      -0.95568169
Li       8.63854412       0.68374604       9.28720362       0.27151587       0.73715089       0.68486897
Li       7.26295412       6.49163971       0.51855014       0.51551195      -0.63017719       0.14170579
Li       7.25347581       0.86966243       4.59915198       0.12372124       0.83736837       3.66624856
66
Lattice="11.9756 0.0 0.0 0.0 11.9756 0.0 0.0 0.0 11.9756" Properties=species:S:1:pos:R:3:forces:R:3 energy=-573.05716124 stress="-0.02282739257656755 -0.00022156944833132347 0.005220988361335101 -0.00022156944833132347 -0.012680504905792221 -0.0033409711641699175 0.005220988361335101 -0.0033409711641699175 -0.022028195413547755" free_energy=-573.05716124 pbc="T T T" config_type=melt 
Cl       2.89665813       4.36108240       2.69702488       1.56863634      -1.33981872      -0.73408078
Cl       5.18502763       6.56131148       8.40441620       0.53473093      -0.02258235       0.08454469
Cl       6.91466354       4.35910642       6.45269279       1.81522470      -0.65685711      -0.87532321
Cl      10.42843631       8.58072099       9.10745578      -1.34599997       0.03709573       1.23831453
Cl       6.74995114       8.32087442       0.97219358       0.32845086       0.28539765       1.22624491
Cl       6.92347758       9.31551985       3.99557511       0.49321828       2.07940887       1.07137216
Cl       7.74185416      11.06795730       7.61739175      -1.46832861      -0.93385668       1.92344412
Cl       5.44573644      10.93833341       9.86197845      -0.41932396      -0.19971539      -0.70291619
Cl      10.08423361      11.44842690       2.60025005      -0.64569369       0.90205056      -0.49459916
Cl       4.57230803       7.51289266       4.82389144      -0.54067123      -0.49517712      -0.13291565
Cl       9.19148856       1.40587556       5.55393599      -0.36463519       0.37578406       0.01923838
Cl       8.46522830       2.57025117       9.02432116       0.11446378       0.60812324      -0.36376557
Cl      11.66894081       0.32864639       8.39711109      -0.83235443       0.79343859       0.21350184
Cl       0.32693388       3.89518366      10.50013423       0.61073167       0.03183692       0.14156797
Cl       9.11107241       7.06862185       4.13189337      -1.38853145      -1.80835781       0.20330391
Cl      11.62308624       6.03227738       6.54370735       0.00806371       0.30262600       0.23166300
Cl       8.33877794       6.19021159      10.95359032       0.27295807      -0.71690116      -0.15011350
Cl       9.93520925       9.17450716       0.20500910      -0.02439753      -0.75801590       1.06160358
Cl      11.18287516       9.94239461       6.14937480      -0.35166286      -0.88277093      -0.18336685
Cl      11.06842435       3.07539396       2.88450289       0.47770640       0.05312253      -0.57970634
Cl       6.39756911       4.81979578       2.43819623       0.38849113      -0.20737931       0.03816783
Cl       9.43556326       0.28430074      10.85179772      -0.00397628      -0.17087746       0.25904284
Cl       2.85407289      11.32055863       5.95811249      -0.05517563       0.13110047       0.13234058
Cl       2.52942635       6.88098815      11.28556593      -0.50380497       0.64551543       0.04986419
Cl       1.57592908      10.46486608       3.32356432      -1.36232695      -0.20204920       0.35694768
Cl       0.93633025       6.59297497       2.76939343      -1.08296753      -0.16191707      -0.84639087
Cl       2.08709559       9.29003577       8.51703474      -0.06522906      -0.90371527       0.32891726
Cl       2.22291087       1.51861386      10.25086211       0.33259533      -0.90947177       0.59196318
Cl       3.01749193      11.69641284       1.18291504       0.85118218       0.24174901      -0.61195404
Cl       6.46333910      11.89598489       0.44181940      -0.85672411       1.18378302       1.42063940
Cl       5.21406846       2.64544597       9.79189724       1.11182300       0.39747114       0.37932745
Cl       6.24943093       0.54277970       5.04007497      -0.55096883       0.43918608      -0.09384855
Cl       1.98008163       3.29631983       6.52574395       0.20661488      -0.20631131      -0.77296440
K        3.79510357       1.33187833       3.70916666      -0.65710671      -0.14430214      -0.08748099
K       11.56421060       0.51202396       5.07798972       1.95621043      -0.28945504      -0.46850056
K       10.77837532       8.71513512       3.17978526       1.31187036       1.56266395      -0.33659329
K        8.26286461       7.81206710       7.02782098       0.41194010      -0.28838276      -0.57080985
K        9.68958969       4.18870561       4.94365941      -0.21655831       1.11755179       0.83519027
K        2.24779617       5.75762897       7.98343794      -0.09895366       0.32427242       0.47393092
K        0.26466076      10.47066227      11.33951601       0.56269510       0.10480669      -0.73003624
K        3.19554515       4.22923104      11.29648768       0.21098629      -0.74102190       0.38182070
K       11.68135951       5.86962478       0.09305041      -0.16827665       1.22574205       0.72685176
K        2.93917151       8.60976182       1.87034921       0.43703092      -0.57569500      -0.19639742
K        5.09117485       8.08972139      10.95373403      -1.19759503      -0.12848704      -1.24349477
K        0.39220090       1.28245503       0.96162631       0.05317142       0.07958394      -0.06366694
K        7.58490194       3.60123058       0.00431122      -0.21799188      -0.02532502      -0.49405652
K        4.61154010       4.49411934       5.29231703      -1.31947701       0.48956257      -0.99587350
K        7.97989316       2.18416981       2.77365674       0.15296258      -0.63827510       0.53945277
K        5.13386787       9.62269399       6.94523724      -0.58603613      -0.08318500      -0.17831589
K        3.74744068       1.21068526       7.76108697       0.23727694       0.37390147       0.35692012
K        7.95366659       8.94804856      10.23291069      -0.52115365       0.52793576      -0.18817353
K        1.48667494       7.99142566       4.94764729       0.38727036       0.83306103       1.36407960
Li       1.20088922       4.34836431       3.80153446      -1.22633590       0.21334514       0.57938334
Li       1.41979121      11.22973568       7.84987407       0.23329838      -0.26703000      -0.62934902
Li       5.88938452      10.43096316       2.40117965       0.22322787       0.05253430      -0.25151100
Li       6.71852716       4.61452202       8.43002003      -0.42853962       0.04976051       1.69424141
Li       8.38062068      11.26027346       0.56657641       1.97129966      -0.79797556       0.70623653
Li       6.66212208       7.41545918       3.20373646      -0.09274108      -1.25735650      -0.01999431
Li       8.06621328      11.25420183       5.73530645       0.61713231       0.21664444      -3.09831700
Li      10.86275539       3.15584604       9.34572231      -1.04259527      -1.05942689      -1.17912814
Li       7.59442254       1.86824150       6.81118238      -0.71493284       0.43619632       0.41152854
Li      11.85771219       8.40993695       7.82908443       1.56812822      -0.02478786      -1.70708882
Li       9.42241406      11.61564939       8.55722486       2.24435858       0.46559212       0.66935249
Li       7.20694003       0.81799575      10.08213788      -0.41693479      -0.13104520      -0.07079471
Li       8.95653926       7.21761029       0.91722438      -0.70959089       0.38404383       0.14549102
Li       4.24149406       0.47379545      11.49374976      -0.21615907       0.06263795      -0.80496135
66
Lattice="11.9259 0.0 0.0 0.0 11.9259 0.0 0.0 0.0 11.9259" Properties=species:S:1:pos:R:3:forces:R:3 energy=-571.97657893 stress="-0.026129069914337378 0.0041799621983349316 -0.005506360001430374 0.0041799621983349316 -0.02148302461985345 -0.00014965105400194841 -0.005506360001430374 -0.00014965105400194841 -0.01648351853169171" free_energy=-571.97657893 pbc="T T T" config_type=melt 
Cl      11.11157570       8.42186784      11.80791707      -0.53509890      -0.60274653       0.21440890
Cl       8.72633607       7.70309385       4.61535908      -1.18573147      -0.54735913       0.02586018
Cl      10.72031077       4.16089881       5.34001254       0.40053654       0.46735381       0.31964336
Cl       9.00508013       5.66931049       1.61891707      -1.09948763       0.08459460       0.30268671
Cl       4.82416966       5.85460320       3.27166792       0.40849308      -0.27306524       1.19078160
Cl       6.53931682       5.97425575       6.40562748      -2.09948765       0.90393807      -0.42239438
Cl       7.85914425       6.37929509      10.46985494       0.33044150       0.43596529      -0.54478714
Cl       5.37216477       3.10761524       4.91920716      -0.25113197       0.30957378       0.88947451
Cl       4.61585997       3.72936011       8.88301854       0.58582918      -0.54299781       0.06306888
Cl      11.40043292      10.91380850      10.09062325      -0.04052946       1.26779645      -0.07036674
Cl       4.53824621       9.31149228       5.41550349       0.31308719       0.19890237      -0.08376941
Cl       8.03438342       2.69549192       7.89671083       0.00224249      -0.73470974      -0.02681102
Cl       5.79271970      11.76362428       6.98353274      -0.69468525       1.26947649       0.21145823
Cl       5.04613451       9.42130596      11.71323735      -1.58375146      -0.31030232      -1.14346887
Cl       7.55920786      11.68028609      11.12944069       0.18064317       0.90982861      -0.80667351
Cl       7.62153262       9.09210342       1.07412049       1.10930725      -1.12909083       0.39419263
Cl       2.50269782       8.56762619       8.88372217      -0.25579143       0.24419239       1.00259269
Cl       6.45663456       3.04227324       1.85844877       0.08671327      -0.08302371      -0.51279363
Cl      10.89252077       2.27905142       2.19839655      -0.49903541       0.06060571      -0.38596552
Cl       2.34268802       2.59535014      11.11050237       0.22398306       0.69300207       0.38258820
Cl       1.59910815       6.95971672       2.85826853       0.76448408       0.98319613       1.28962565
Cl       2.31385119       4.88152131       7.24765565      -1.01711565       0.72897022      -0.82671736
Cl      10.64299516       7.63669044       7.96523705      -0.41522595      -0.14459004       0.74993020
Cl       0.51422573       1.63136771       7.82064744      -0.57007788       0.39186058       0.42371707
Cl       8.11228340      11.64162232       4.04595698       1.06157984      -0.53299144      -0.38378752
Cl       3.51446732       0.05084262       9.59941928       0.12620199      -0.24718162      -0.28754567
Cl       3.00614969       6.40045164       0.06153764       0.30659211      -0.26171802      -0.57222078
Cl      11.58089564      10.39660607       2.98975157       0.51020475      -0.03011499       0.18821541
Cl       3.70976586      10.95641974       2.14143846      -0.91425233       1.56013859      -0.05642666
Cl       0.86728842      10.48448802       6.57836222       2.23187436      -1.64688255      -1.94116821
Cl       1.94249059       1.87659999       4.13594982      -0.00056983       0.09831437       0.18583978
Cl      10.24301240       3.89721716       9.88060815       1.10889665      -0.01306574      -0.20843373
Cl       9.69586403      11.41596044       6.89472057      -0.55818222       0.16447322       0.89736334
K        8.46791374       2.75878267       4.05756088      -0.66724522       0.09819569      -0.01222649
K        8.97460945       9.36434786       9.87849727      -0.49723559      -0.10581398       0.04438473
K        8.87260723       5.39824671       7.06756264       1.29650564      -0.25382241       1.26965014
K       11.86574576       1.58696759      11.51493349      -0.36042273      -0.09669590      -0.23316081
K       11.43969298       5.48467371       2.55823673       0.14713668      -1.28213493       0.34641825
K        9.49809683      11.40713528       1.28235625       0.53655675       0.13233768       0.51633617
K       10.96212032       1.34292790       5.03844231       0.57961521      -0.77421508      -0.22346702
K        8.53194390       2.61383528      11.83407057      -0.49253708       0.49634398       0.09050557
K       11.17000068       8.20470913       5.38927843       1.58708519       0.72210754      -0.94296450
K        3.06134275       3.74084476       2.10167751       0.27419042       0.17769880      -0.30753882
K        5.47875846       7.71788196       9.52806662      -0.77166939      -0.72795662      -0.49518450
K        3.27259814       1.94777377       6.87833438       0.28526923      -0.10150993      -0.26177600
K        2.47627002       7.74504916       6.32160952      -0.39539491      -0.50725771      -0.91633520
K        0.35472039       6.38550849      10.04396913       0.67891671      -0.48072306       0.30464565
K        1.83445386       8.94477085       0.81718771      -0.25398993      -0.15297347       0.00154780
K        5.72028179       0.72910779       3.60981489      -1.34440870      -0.04041974      -0.03874118
K        6.22424647       6.21362049       0.96556857      -0.36564144      -0.50108891      -1.02623877
K        4.49154438       8.40901172       2.43197723      -0.07767837      -0.45644174       0.64696311
K        7.44725944       9.78984013       6.69547456       0.27287028      -1.35934646      -0.96961740
Li       9.22239388       7.25943844       0.11377499      -0.17151415      -0.19709501      -0.11696423
Li       5.98998602       1.48224626       8.42865368      -0.01349972       0.91730208       0.40900580
Li       4.42933889       5.06112537       5.97247879       0.50217349      -0.54196152      -0.07973633
Li       3.00173710      11.24716125      11.65639851       0.94040097       0.40414472      -0.26951552
Li       4.00147338      10.69346557       7.78318819      -0.50472270      -0.38103727       0.01707890
Li      11.61719808      11.35352836       7.75210930      -0.95058443       1.87006395       1.82489869
Li       1.93327187      11.69667228       3.83861328      -0.18325739      -0.82473920      -0.29594083
Li       6.31088813      10.71177182       0.77626160      -0.27527278       1.03269457       0.05719052
Li       9.57747562       1.22737785       8.71108284      -0.14591780      -0.00754375      -0.53055751
Li       8.81760498       8.50880765       2.68762082       0.64723636       0.15544723       0.19052503
Li      11.30254513       3.54815799       7.80969947      -0.10914574       0.10635787      -0.41323363
Li       2.09990055       3.75308073       9.06724984       1.08897707      -0.67247768       0.87694583
Li       7.16057273       5.95933645       4.05372074      -0.63085036       0.03162663       0.39121157
Li      11.83273535       9.20963316       8.89394267       1.34309844      -0.35140938      -0.31222621
66
Lattice="12.5932 0.0 0.0 0.0 12.5932 0.0 0.0 0.0 12.5932" Properties=species:S:1:pos:R:3:forces:R:3 energy=-570.19445511 stress="-0.006994566088727688 0.0025751668863697856 -0.003679591852399099 0.0025751668863697856 -0.007636117149113752 0.0009177482999756927 -0.003679591852399099 0.0009177482999756927 -0.007904780319211109" free_energy=-570.19445511 pbc="T T T" config_type=melt 
Cl      12.41441308       0.07021087       1.85072186       1.25216778       0.04458009       1.10940692
Cl       8.13472866       3.02890387       5.23073674      -0.57103552       0.21436632       0.58287516
Cl       4.51832682       2.29404028       8.49049915      -0.09144579       0.16701327       0.37165449
Cl       7.91516622       4.15190248       8.75635420       0.39872127      -0.14122403      -0.13285166
Cl       6.42036597       1.24952879      11.51280419       0.13858664       0.04805039      -0.69880918
Cl       5.43353763       5.32721324       7.33574049       0.16531599      -0.72530279      -0.13999138
Cl       6.53068240       4.39813732      12.07070813      -0.38745175       1.91743295      -0.90336438
Cl       6.09779115       8.38795272      10.65163080       0.49349511      -0.61622468       0.80371612
Cl       7.51893377       8.90126415       3.12481368      -0.02685262      -0.13149400      -0.20654273
Cl       8.52375779      12.05434957       8.84242872      -0.42582310       0.99832149       0.33973531
Cl       5.16195268       9.66630105       7.13123952       1.29380988      -0.46309373       0.01976877
Cl       8.29566975       3.95553671       2.13098352      -0.09071508       0.79266523      -0.56893949
Cl      10.43415883       0.61893941       4.77071974       0.85698481       0.15035052      -0.21779706
Cl      10.44714242       0.78098745      12.28218574      -1.07451857       0.59897159      -0.77030754
Cl      10.76700970       7.45717672       5.65928333      -0.43921847      -0.47280577      -0.15333589
Cl      12.55432479       4.42642165       3.97018260      -0.46206489       0.92936722      -0.51752240
Cl      11.67236003       4.96112892       7.79337738       0.44167269      -0.52506990      -0.38038518
Cl       9.37071346       7.27535610       9.03584768      -0.40393864       0.13815858      -0.30610243
Cl      10.34051579       6.34100362      12.16032134      -0.74466618      -0.04722184       0.46769032
Cl      11.62716303      10.44168956       6.16226834       0.75110445      -0.76979206      -0.36031937
Cl       6.78254640       0.34330323       1.86213130       0.31647020       0.04727270       1.32993062
Cl       5.01777313       3.39170137       2.56194801      -0.91799988       0.42376837       0.87906391
Cl      11.18015481      10.15738548      10.93708086      -1.13216332       0.07925157       0.17728731
Cl       1.54329666       9.70357692      10.69613517      -0.22275653      -1.89557928       0.98317506
Cl       0.04170452       8.00148001       1.54934140      -0.48946793       0.57380539       0.04192340
Cl       2.34445086       9.29637580       6.33634414      -0.62815597      -0.95320356      -1.02061390
Cl       2.90465936       0.03929078       5.11741053      -0.36972230      -0.00239581      -0.36437062
Cl       3.35116386       8.03040659       2.58646698       0.65786245      -0.11153810       0.12485776
Cl       2.58961528       4.16522609       5.89616143       1.52221676      -0.45898585       0.24969299
Cl       1.74599681       3.19571340      10.59821044       0.02857608      -0.55039183      -0.31861351
Cl       2.26313657      11.61455724       9.02515605      -0.14871238       2.85477968      -1.56830573
Cl       3.59384742      11.52214834       0.08538190       0.13465133       0.02563374       0.69233667
Cl       3.13520307       6.89742157       9.49852185       0.18844935      -0.88967234      -1.39621560
K       10.13270280      10.67036948       1.38012657       0.32838826       0.31878656      -0.00129932
K       12.47278382       7.97198673       8.34920345      -0.08094083      -0.29856106       0.31095575
K        4.96105336      10.84385340       9.91259885      -0.38147698       0.74579472      -0.12360989
K        2.96612677       1.39581769       1.73569557       0.33395909      -0.10995355      -0.53658440
K        9.70653632       6.67416932       3.07350899       0.21783032      -0.11088683      -0.33345478
K       11.25343464      11.91873339       8.26772544      -0.25367974       1.08768357       1.54421808
K        9.17472549       3.96271484      11.13543635       1.20487125      -0.63919337       0.63615123
K        0.95324857       7.48301797       4.27619736      -0.43236731      -0.20269374       0.18462798
K       10.79814009       2.86376924       2.27015098       0.62659606      -0.61039827      -0.40524409
K        0.84802987       1.90839871       4.23689399      -0.14540088      -0.27778186       0.12813663
K        8.21485919       9.73290648       7.65417215       0.04146345      -1.41192275      -0.52630796
K        4.32513454       6.31378972       5.07659597      -0.24728007       0.74397990      -1.17166367
K        0.72880249      12.48443253      11.55178014      -0.07044970      -0.37082683       0.13115445
K        4.92460864       2.30539934       5.69488431      -0.11060765      -0.17218973      -0.64989730
K        1.88399309      10.70824982       2.97800216       0.23223099      -0.70260262      -0.66640779
K        5.65816254       6.58905188       1.24787782       0.24637712      -0.22558874       0.27837871
K        6.67858954      10.28120182       0.67388102      -0.52449698       0.32094046      -0.45240749
K        5.83417770      11.19054420       4.56440534       0.00906897      -0.18728412      -0.07257859
K        3.08656813       7.81852600      12.06308925      -0.41963965       0.34579355       0.55304621
Li       8.10442942       2.03734049       3.09504336      -0.54484705      -0.62736841       0.41960104
Li       0.65113896       4.45149471       6.05512539      -2.39047456       0.62569177       0.82617345
Li       6.90024245       3.69136916       6.96746495       0.26103177      -0.20431267      -0.00902685
Li       1.17536114      10.66892126       7.39147799       0.22433691      -0.15715629       0.09460572
Li       6.07184916       3.63534201      10.03005563      -0.39884475      -0.76489677      -0.27760690
Li       2.18883669       1.38367785       9.19051736       0.82961698       0.29842116       0.04833836
Li       0.15954325      11.91340647       5.13939826      -0.57873202       0.34811128      -0.41051486
Li      11.40914956       8.22660865      12.10609502       0.68686114       0.17348288      -0.15685282
Li       3.03980958       4.72629093       8.54827675      -0.01059454      -0.21621444       0.35362977
Li       5.08199845       7.26514301       7.88581147      -0.54174358       1.78187239       1.20230764
Li       7.89224659       6.88193194      10.72449505       0.38584400       0.18358016      -0.27992207
Li       8.45585526       0.58316087      10.71289671       0.13077916       0.07322694       0.58599416
Li       9.45066769       5.37543261       6.83159692       0.77972099       0.29645960       0.55990169
Li       6.13559594       2.87088440       0.82194179       0.57922392      -1.30378641       0.06743117
66
Lattice="11.7122 0.0 0.0 0.0 11.7122 0.0 0.0 0.0 11.7122" Properties=species:S:1:pos:R:3:forces:R:3 energy=-572.42769667 stress="-0.037678509158283184 0.005297306788662385 -0.005770311318975402 0.005297306788662385 -0.021258587478946694 -0.001482267934239476 -0.005770311318975402 -0.001482267934239476 -0.02671346773780111" free_energy=-572.42769667 pbc="T T T" config_type=melt 
Cl       0.76323254       2.02235729       4.37283186       0.33760720      -1.25250873       1.43694005
Cl       1.01931745      10.24534065       8.64422435      -0.12454047      -0.42045543      -0.21600194
Cl      10.19966307       0.92649358      10.84340072      -0.61689852       0.76048946       0.14126573
Cl      10.10835476       0.34174091       7.21752613      -0.90178613      -0.54886668       0.10940214
Cl      10.70403725       3.49212126       7.22581837      -1.45596642       1.99394989      -1.11410178
Cl       8.42911808       1.31030238       4.25243044       0.33337902       0.72496972      -0.62146429
Cl       6.79042904       1.73964820       6.84739718       0.31616654      -0.24461158       0.50724687
Cl       4.99474968       8.49761103       4.12944063      -0.31442129      -0.34806540      -0.21154946
Cl       6.74163602       2.19170399       9.89549723       0.67247718       0.59054615       1.54793374
Cl       6.08632672       4.24956095       3.21730620       0.75237208       0.21289553       0.16803304
Cl       7.99905781      11.03245905       9.33899205      -0.20498201       0.15847110       1.39689603
Cl       4.24368143       4.14976129       8.27790187       0.29298924       0.13592350       0.36591296
Cl       7.69735154       9.64779592       6.70970856      -1.91162216      -1.20657352      -1.30176265
Cl       7.14892777       7.90003116      10.44898067      -0.08640322       0.64662507       0.55004630
Cl       6.69469352      10.51858627       1.85367818       0.25035896       0.59206506      -0.26196932
Cl       4.52013619       5.31929474       0.24839819       0.40321681      -0.36159407       0.05521897
Cl       2.16995443       9.79923466       5.09478358      -0.34223140       2.34867158       0.44142934
Cl       9.00239513       4.78816989       1.37731958      -0.35607418      -0.49455592      -0.78868039
Cl       0.66274538       7.42902504       0.13848388      -0.22551055      -0.07762120       0.34553363
Cl       3.96980334       1.22862149       3.13294323      -0.21764387       0.41839709       0.70797340
Cl       1.75701740       1.88730391       8.27817125       0.12808032       0.39326172      -0.13088344
Cl      11.66291506      10.54280710       2.77611934      -1.13646666       1.55562514      -0.10709459
Cl       1.83292416       3.68756275      11.39406151       0.10807627      -0.74791995       0.82877103
Cl      10.10420864       6.64259765       9.53259472      -0.66647260      -0.18044190       0.75439434
Cl       9.38457593       7.75383948       2.77820411       0.44618266      -0.11896553      -0.09968006
Cl       7.79797105       5.17652302       6.67107001      -0.47250024      -0.35352301       0.85085738
Cl       4.25795860      11.48806363       7.76487237       0.31709744       0.22254686      -0.14742437
Cl      11.61774111       4.48913400       3.03844920       1.63307544       0.60616147      -1.54749956
Cl       1.28459410       6.01073618       8.49325409      -1.38321406       0.80713566       1.02844103
Cl      10.93278823       7.00489114       5.98946682       0.04236749       0.10179361      -0.37832558
Cl       3.64354830       7.72550767       9.55612453       0.83531902       0.12561806       0.52543137
Cl       2.53638232      11.01771339       0.93410651       1.36893507      -0.97105266       0.54315350
Cl       2.40779408       5.65564570       5.10814720       0.63364623       0.25009725       0.81185639
K       10.71496473       1.77823990       1.98982079       0.22450922      -0.09497156       0.35322716
K        5.22154472      10.27479683      10.30057538       0.37951966      -0.24100778       0.15291169
K        8.92961552      10.16207862       4.40302591       0.55609440       0.26221923      -1.50189517
K        9.86248054       9.23909870       8.09275541       1.14648469      -0.90756990       0.81234546
K       11.32210175       3.48850219       9.86954300      -0.18128287       0.85289092       1.02084890
K        9.52133929       4.98728900       4.42602867      -1.38103463       0.13674598      -0.23253879
K        7.35831848       7.20329580       4.88104764      -0.15016688       0.36399619       0.09179137
K        6.77215801       5.29213415       9.67775572       0.03404715      -0.10054416       0.05088137
K        1.16513434       0.49455701      10.83166509       0.08185945       0.43663627      -0.96804297
K        3.16034977       4.03378709       3.00580730      -0.37183950      -0.12109009      -0.99411557
K        3.31803112       7.78368216       0.93245275       0.43539931       0.61653936       0.21520438
K        0.78260452       8.18279880       3.50283793      -0.30459658      -1.91182050      -0.26209700
K        5.64063066      11.42279154       4.69437859       0.34581951      -0.66082362       0.25146917
K        3.35194965       8.06319382       6.71391324       0.58858455      -0.27344584       0.46428088
K        7.73199623       2.16289197       0.97455108      -0.14804969      -0.26423557       0.34558991
K        9.87721449       9.08947534      11.53939820      -0.48188242       0.19624311       0.14778858
K        6.64404997       7.61791940       1.72127176      -0.02575941      -0.51376211      -0.56051983
K        5.14360003       3.40256978       5.67591952      -1.85327008       0.64522160      -0.46586600
K        4.43271633       2.00047890       0.51585565      -0.10424207       0.20493175      -0.54953381
Li       9.09363317       1.93600324       8.64298285      -0.83617901      -0.52324173       0.38539341
Li       2.26989463       0.22779878       6.84528899       0.49202310      -0.60892099       0.21781071
Li      11.52486805       1.75909045       7.45706404       1.61372732      -0.68250099      -0.03608005
Li       7.85410762      11.62415939       7.34696936      -0.29081233       0.18541364      -0.08553874
Li       0.44220934       4.77122234       5.07556386       0.09631688      -0.18079871       0.66841203
Li      10.75149508       5.69475273       7.80766875       0.11597540       0.26467867      -0.51394745
Li       2.46736233       4.97678316       7.39880756       0.97630711      -1.24332393      -1.79755455
Li       5.15465634       2.06380676       8.61171128      -0.76910352      -0.57084257      -0.93992922
Li      10.93520094       5.92127839       1.36182434      -0.14285143       0.21677206      -0.18121063
Li      11.50187231      11.61838258       5.80049047       1.08760214      -0.36533037      -1.90339393
Li       7.57408063       3.34392680       5.53212884       0.70816051      -0.81638310      -0.60444627
Li       1.58419217       8.24434641       9.71806912      -0.73147659      -0.01684273       0.00412183
Li       2.78538369       5.14299099      10.00070793       0.64238889       0.36552563       0.51502319
Li       2.18946696      11.42163203       3.31191735      -0.20688544       0.03115348      -0.29068990
66
Lattice="11.9325 0.0 0.0 0.0 11.9325 0.0 0.0 0.0 11.9325" Properties=species:S:1:pos:R:3:forces:R:3 energy=-571.73542153 stress="-0.030245850801270163 0.0008696127330233478 0.0004229203954191166 0.0008696127330233478 -0.0221897014464287 -0.00014280599094359224 0.0004229203954191166 -0.00014280599094359224 -0.020811115083773417" free_energy=-571.73542153 pbc="T T T" config_type=melt 
Cl       3.09810657       4.34527954       0.29109453      -1.87041519      -1.17688704       0.39292157
Cl       6.01059117       2.99301704       9.66784276       0.73801618       0.27174134      -0.03689082
Cl       7.50000582       5.21396554       1.89594299       0.90730792      -0.18003750       0.06101270
Cl       5.09057155       5.63698459       3.75460885      -0.17733328       0.83828491       0.88215878
Cl       8.18613650      11.65467560      10.59154951      -1.02161045       0.00811728       0.08374203
Cl       7.28273886       6.99365018      10.62237116       0.38368489      -0.22378506      -0.34444386
Cl       4.17960871       7.26046088      11.60832977      -0.53256154       2.24347777       0.23960487
Cl       6.91045679       9.47594429       1.47656335      -0.54328354      -1.66467082      -0.39101077
Cl       5.42112567       9.84037477       4.61216183      -0.63390499      -0.80345943       0.29992596
Cl       5.51193199      11.27554428       7.98701887       0.20451562       1.73379858      -0.94617327
Cl       4.40247201      10.71598162      11.35236571      -0.63141643       0.47261499       0.14240801
Cl       9.99875485       2.09086038       1.39650820       0.75693306      -1.05820481       1.32379970
Cl      10.26234377       3.72187801       5.90028714      -0.30798917       0.78523507      -0.55937530
Cl       8.89923463       1.81846527       8.25324488       1.67357107      -0.14826543      -0.88951451
Cl      11.09735626       3.91449242      10.34146818      -0.77669422       1.36656238      -1.22124261
Cl      11.43106055       6.88900216       8.65986868      -0.11544853      -0.90425624      -0.12272045
Cl      10.30705485       7.74563633       1.02829631      -1.92607789      -0.70012007       0.11352264
Cl      11.57753199      10.38073804       3.79506003       0.00364699      -0.01385603       0.02844461
Cl       8.61755604       8.13611546       5.08551217       1.81838560      -1.61533825       1.16478130
Cl      10.22760827       9.91832980       7.36695844       1.26851626      -0.66102001       0.15918871
Cl       6.25765358       2.98582174       6.23172426      -0.19439796      -0.19950003      -0.48817993
Cl       7.64385211      11.53795905       3.22731168       0.59250333       1.57460920       1.60893021
Cl       5.89205371       6.93738844       7.12659017       0.06540891       0.36524085      -0.12744424
Cl      11.48146343      10.66309679      10.13884240       1.20729353       0.26222573       0.54383397
Cl       2.74977303       4.79301080       7.76324870      -0.30688475       1.27411826      -1.29195253
Cl       5.21497980       1.53994879       0.84667292       1.06459669       0.01269316       1.03437979
Cl       2.82229876       0.34593272       4.83995326      -1.02221507       0.36715880       2.85998377
Cl       0.93344248       2.88918043       3.67237006       0.38113695      -0.87018433       0.55792944
Cl       0.47487054       0.87993119       7.55384526       0.37526615       1.19860824      -0.79103927
Cl       2.16718065       9.19218944       7.90762002       0.71346311       0.39487433      -0.54130698
Cl       1.82042220       6.71217444       2.36516469      -0.22695039       0.38935917       0.89697951
Cl       3.34228132       1.78480369       9.61535169      -3.14385109      -0.21116863       0.11399840
Cl       1.61123354      11.75901338       1.30428191      -0.67814740       0.23078754      -0.70123095
K       10.33978570       0.95487803       4.73092600       0.15137187       0.06969362       0.14762380
K        0.79977343       2.28790175      11.36311690       0.80615338      -1.45189017       0.91572467
K        8.60045677       3.35451213      11.55811781      -1.17596340       0.39384303      -0.93028044
K        8.75185633       4.85957029       8.38313014      -0.12084636       0.13297157       0.04761437
K       11.65199079       7.19335250       5.66673232      -0.60830607       0.32957626      -0.37548152
K        3.16821001       2.41217874       7.08499347       0.54839874      -1.90188648      -1.92768486
K        9.35846883      10.83299172       1.12608196       1.28312574       0.15930730       0.08207463
K        8.04773143      10.78473669       6.32532279      -1.59878371       0.70766805      -0.38155463
K        9.36280033       8.74265637      10.17412680      -0.12744003       0.07800919      -0.15820188
K       11.43816039       4.57259366       2.10316279      -0.26496989       1.05155705      -0.55755808
K        7.83181285       2.61041336       3.56426161      -0.27461340       0.45008924      -0.11789071
K        3.98284178       3.04530526       3.45556847      -0.24396254       0.16792702      -0.26082588
K        3.05435009       7.26746526       5.75338613       0.60205287      -0.84794818      -0.57702393
K        3.82394861      11.58201861       2.75911618       2.41067937      -0.14501743      -2.14822683
K        5.52079784       5.09349502      11.67694165       1.70163427      -1.05307552       0.15820500
K        0.63566575       8.88266039       0.73820769       1.47179368       0.80217233      -0.05410112
K        3.99303214       8.97553104       1.95080863      -0.02294374      -1.36434460      -0.32865552
K        4.89152552       9.11558279       9.23441856       0.31142998      -2.30835530       0.68127202
K        2.46242650       6.18731150       9.91664731      -1.26011149       0.26666282       0.81572984
Li      11.84934241       3.66568786       7.30715275       0.38767094      -0.33209802       0.75910508
Li       3.70133024       2.34166960      11.60571655      -0.11606232       0.55710390       0.34592074
Li       7.47488791       9.16816932       3.97755569      -1.42931400       2.03890816      -2.45105281
Li       6.23684330      11.37837857       0.40391512       0.57307195       0.21226971      -0.25449256
Li       0.19621922       8.84163646       8.77802430      -0.51510562       1.09681021      -0.07139959
Li       6.98928289       6.75966579       4.75233291      -0.97142495      -0.93978507       0.09744039
Li       3.81550040      10.12848499       6.03353737      -0.15051659       1.16069846       0.52359759
Li       0.86075089       0.37778772       3.36144491       0.27387949       0.10914472      -0.06465566
Li       7.73859616       7.35954836       1.08942651       0.36166160      -0.21989754      -0.47803267
Li       1.73819534      11.57854625       8.74432692       0.16534585      -0.42479159       0.63494793
Li       4.91875549       0.68215239       9.91162373       1.57138064      -1.38468494       0.57252137
Li       7.08362123       1.15831522       8.81922722      -0.62659779      -0.41402708       0.27180350
Li      10.59117961       0.02368697       8.21218515      -0.74635415      -0.04736513       0.87688982
Li       5.51113252       4.81846283       7.15565774      -0.41139867      -0.30799949       0.15162745
66
Lattice="11.1577 0.0 0.0 0.0 11.1577 0.0 0.0 0.0 11.1577" Properties=species:S:1:pos:R:3:forces:R:3 energy=-569.78881643 stress="-0.05470497993925041 0.0006133346831071173 -0.0025161025055946197 0.0006133346831071173 -0.06392015713527506 -0.0022674403825628463 -0.0025161025055946197 -0.0022674403825628463 -0.053737146711709156" free_energy=-569.78881643 pbc="T T T" config_type=melt 
Cl       2.15413904       3.15344496       1.09511375      -0.37166101      -0.74769235      -0.74818563
Cl       6.38507193       5.39347597       2.25304089      -0.67624324       1.14085257      -0.05262069
Cl       3.65053166       6.58422572       0.00777602      -0.19303757      -0.81458183       0.67497395
Cl       7.03343472       7.20626749       7.39851466      -0.13350803       0.85212437      -0.81313439
Cl       4.98829525       4.98486984       8.68952750       0.25563748      -0.90628161      -0.02774789
Cl       5.12118346       9.77882028       4.30516507       0.13515620       0.96318041       0.04129489
Cl       3.93774201       8.37538245       7.30346222       1.56763481       0.37171631      -0.13991485
Cl       6.45645889      11.08064492       7.39657322       0.36062958       0.38228569      -0.21800179
Cl       4.19420175       9.56012936      10.15373015      -0.32176293       0.49651431       0.50271261
Cl       9.96806603       1.04725503       1.92763773      -0.65442334      -1.69580225       0.46226753
Cl       4.84100246       1.53103728       9.37019183       0.36122383       0.75745841       0.10592003
Cl       8.24106606       3.53708016       0.73493092      -0.38215080      -0.83907241      -1.13167958
Cl      10.43324170       2.47445429       9.53376371      -0.44584206      -0.72566837       0.00423343
Cl       0.10153507       5.04813400       0.18438211      -0.37777157      -0.40632230       0.30451903
Cl       9.31025266       6.16816624       4.65538296      -0.98317043      -0.92905941       0.75603803
Cl       0.41071494       3.65484969       3.51552349      -0.96928595       1.56011981      -1.00568067
Cl      11.06824872       4.59991803       7.43601569      -0.77921410      -0.06039972      -0.72903091
Cl       8.81181589       6.56922977       9.76377970       0.40631267      -0.53179927       0.70385563
Cl       8.89005368       7.51530231       2.01304992       0.36432674       0.42920861      -1.03177800
Cl       8.10093651       9.77783840       4.94202427       1.67656177       0.20197944       0.60158762
Cl      10.50617958      10.79015420       7.87704610      -1.60851627      -0.94279351      -0.87867745
Cl       9.28176706       1.52679735       5.33335828      -0.14345029       0.66421558       1.16657908
Cl       6.26412246       3.17020383       5.43565208       0.87056494      -0.86336207       0.31474315
Cl       7.10475474      10.27677727       1.01764584       0.56908366      -0.40730029       0.03609691
Cl       2.95773890       3.62711164       6.19178709       0.43447131       0.30183675      -0.30115203
Cl       1.23536939       8.89993940       5.54697245      -1.06397342       0.29956049       0.06967387
Cl       3.20747055       6.89623964       4.55195108       0.43227325      -2.33391421      -1.27350043
Cl       0.80832739       8.10199649       9.17184140      -1.39894784       0.39287801      -1.00560497
Cl       1.24979629       0.06795039      10.66611405       0.46443563      -1.42280114      -0.80611101
Cl       0.82156265       8.24976907       1.28474221       0.66766771       0.86143340      -0.11868179
Cl       5.25258769       2.62936779       2.55674232       0.72446123      -1.05464240       1.11481856
Cl       1.99770808       0.06519176       2.91546238       0.71196932      -0.06501531       0.55410159
Cl       2.52735294       0.58393488       7.31977477       0.19895509      -0.32998456       0.00841456
K        2.29015140       3.15354538       9.01190692      -0.12472378       0.41244157       0.40016893
K        8.15978222       3.53647765       3.41771509       0.68460096       1.00787506       0.13433797
K        7.35422975       0.99330866       3.70214718      -1.13810311      -1.57226036      -1.38134393
K        0.67946823       1.95832140       5.32272500       1.90502444      -2.00738536       1.45455516
K       10.36003603       9.61845065       3.37067422       0.92149760       0.42753642      -0.22175681
K        7.83850740       1.20853512      10.08228740      -0.62012167       0.14321897       0.28887933
K        3.39007746       4.55876844       3.09918507      -0.20063899       0.38337201       0.24464201
K        8.22191945       3.22575802       7.37508349       0.71373251       0.80509865       0.83977791
K        2.09413292       6.34441327       7.54996928       0.57760813      -0.77839011      -0.38907773
K        0.52473213       6.54084458       3.43117127       0.65756616       0.09054186      -0.28699815
K        4.30436172       1.37298846       4.95220009      -1.34378397      -1.05697154      -0.36580444
K        6.22461305       7.59651921      10.31358652      -0.02555587      -0.27687743      -0.06748560
K        4.58579238       3.66961132       0.23433513       1.10159070       1.58332248      -1.46997910
K        4.89242830       0.59918076       0.89549469      -1.52541657      -0.51066534      -0.37645534
K        5.40790288       5.53013548       5.94503456      -1.03300981       1.34202208       0.02982384
K        9.74529139       7.62214844       7.01296034       0.85806324       0.43358774       0.51168974
K        4.14650258       8.87088475       1.87096777      -0.72414441      -0.52340406      -0.29646729
K        9.65874111      10.27617475      10.61244552       0.78615266      -1.09202887       0.63448067
K        6.87133565       7.60398371       3.96366135      -0.22766439      -1.12214924      -0.68142182
Li       8.62915318       5.66215339       0.91545023      -0.56354646       0.40626928       0.11181700
Li       6.53466321       9.05996314       6.07389483      -1.01115083      -0.02088553       1.32000430
Li       2.16691460       9.48301849       7.57286488      -1.20051052       0.21601023       0.20245845
Li      10.50491876       2.81365952       1.23887290       0.96455141       2.00195782      -0.75135914
Li       0.74159876       0.73888186       8.82454683       0.40586133       0.79713803      -0.39104035
Li       2.24326674       8.14485322      10.56339627       0.85332141       0.31891936       1.05492300
Li       9.40161191       4.28240336      10.23116459       0.82462478       0.79809942      -0.53532665
Li       4.54129548      10.53231092       8.21253582      -0.70614667      -0.02118954       0.34205718
Li      10.51126749       6.97319430       0.29657390      -0.08300995       0.99377833      -0.48422704
Li       3.49845220       8.71396286       5.10015120      -0.74317030       1.74807767       1.07652223
Li       5.37964042       2.50739182       7.33343180      -0.99301175       0.33026846       0.85589580
Li       1.54310991       1.15246768       1.07428456      -0.06509886       0.46057809       1.88548156
Li       8.52876736       0.04507711       7.00207042       0.86385402      -0.40358360      -1.02602098
Li      10.33531056       4.37494533       5.30508467       0.51235223       0.08680628       0.19692090
66
Lattice="11.9185 0.0 0.0 0.0 11.9185 0.0 0.0 0.0 11.9185" Properties=species:S:1:pos:R:3:forces:R:3 energy=-571.24442422 stress="-0.016335517283313988 0.0025782065512461633 0.0015868917490073514 0.0025782065512461633 -0.021380062912724287 0.002353561799021353 0.0015868917490073514 0.002353561799021353 -0.022011795311549714" free_energy=-571.24442422 pbc="T T T" config_type=melt 
Cl       2.57459861       1.25354016       1.28883083       0.20843709       1.19568279      -2.27844896
Cl       5.64163389       2.70220999       9.99734507      -1.84701323      -0.34794771      -0.55043690
Cl       6.48945639       6.96036824       3.85203536      -0.40735267      -0.12074991      -1.02834520
Cl       4.37888074       4.26640585       5.05464777       0.17876571      -0.05382577       0.15537134
Cl       4.73257414       7.33023505      10.90630947       0.43941896       1.62880552       0.76259411
Cl       7.93275099       8.91341708       0.98544065       0.84634468      -0.09933273      -0.03483324
Cl       5.36169217      11.23393712       0.90925283      -0.77213987       2.56181136      -3.52121287
Cl       5.79604998       0.03325261       6.87357773       0.17244764      -0.45555084       0.64054107
Cl       4.00637994      10.78337014       9.75680590       0.17650035      -2.58821984      -1.80103125
Cl       7.88673366       0.60149571      10.91086234       0.60566177      -0.37760885       0.42446270
Cl       9.89860029       2.45844091       1.88860551       0.37279620       0.37111507      -0.21499513
Cl       9.52895994       0.23232017       7.31433578      -0.29657456       0.53151369       0.37998178
Cl      10.10445663       3.35896702       9.38730856       0.28106137       0.00153110       0.08310305
Cl       8.84041627       5.54428359       1.10514053       0.62013851      -0.68602891       0.36164744
Cl       9.26745613       7.18244565       5.15155709       0.83647871      -0.02287632      -0.79753559
Cl       8.08090986       7.08289042      10.24472545       0.64407828      -0.10983973      -0.69425357
Cl      11.88462762       8.03594136       0.79770640      -1.74289574      -1.17002457       0.60791378
Cl       8.08813247      11.89627200       4.18177258       0.11273067      -0.75153849      -0.52249101
Cl      11.06518307       8.80334974       7.56295569      -0.11875804       0.21258750      -0.13679884
Cl      10.34320802       3.21732756       5.69389652       0.36774018       0.57123672       0.37782393
Cl       6.97636287       3.87311919       6.96152434       0.33853095       0.29274862       0.18389648
Cl       5.23219766       7.75393773       6.85829821      -0.75757138       0.47832735       0.86425973
Cl       2.79485249       4.88373648      11.81847995      -0.70769046      -0.67444061      -0.50323508
Cl       2.17507858       1.62745926       4.27634588      -0.44503547      -0.35425875       0.38674371
Cl       1.46149414       2.00827917       9.31088714      -0.35827723       0.47983609       0.29652764
Cl       2.02719383       6.80489141       3.62707368      -0.47583344       0.19548022      -0.09453456
Cl       1.72300987       4.97571154       6.92967811      -1.15572782      -0.20335880       1.43133164
Cl       1.45560640       7.86814080       9.99738082      -0.17069714      -0.27770527      -1.54151022
Cl       1.14912933      10.77350162       1.97155827      -1.33718437      -0.37284724       0.39935619
Cl       3.45699668       9.99522357       4.45642250       1.74521734      -1.17721952       1.09438191
Cl       0.96549027      11.48899302       7.13335335       0.39643371      -0.37022425      -0.35692770
Cl      11.40239319      11.00995274      10.17855394      -0.93650677       0.94707217       1.38133145
Cl       5.70607722       3.10074080       1.64867419      -0.29942303      -3.26487084       1.87494181
K        8.26955588      10.33256480       9.29482100       1.05222760      -1.05205734      -0.38953969
K        3.16108416       1.48515237       6.98717295       0.40141585       0.48149641      -0.18488130
K       11.64899888       8.97520259       4.50172472      -0.12325696      -0.21149443       0.01227729
K       10.35490007      10.74196527       1.16625502      -0.88603186      -0.32641586      -0.29744220
K       11.82207933       5.23696506      11.08511081       0.59799254       0.50321830      -0.09803167
K        9.93702554       6.29367119       7.88601855      -0.54770033      -0.41409483      -0.17318518
K       11.41462158       5.20971937       2.92533623      -0.16201493      -0.04164117       0.50521186
K        2.96697947       4.00095702       2.59506268       0.11032635      -0.21841542       0.15157275
K       11.52441480       1.55380293       0.00262207       0.80658341      -0.51560436      -0.84532656
K        1.94849597       8.46815384       7.05386888       0.51871266      -0.43297620      -0.29253365
K        7.93801896       3.42853530      11.16908856       0.50658104       0.05141931       0.57275638
K        7.71477354       2.65038836       3.49015395      -0.19545296       0.84021401       1.20845273
K        4.99524596       0.75751960       3.31147180      -0.26707893       0.18836656       0.50621911
K        4.44874698       5.64323097       8.85147664      -0.17382271      -0.95623213      -0.60012370
K        5.82303346       5.06735289       0.39137732      -0.02721724       3.83151623      -1.90974298
K       11.11382247       0.97432307       4.00380554       0.13693278      -0.20171233       0.76340879
K        7.12872898       9.37618860       5.51477338       0.58325341       0.33135677      -0.20813403
K        2.55512379       8.91783885       0.31856959       0.75977312       0.12986704       0.39343184
K        5.61746318       9.44698449       2.38837205       0.13556227      -3.36523754       3.06345260
Li       8.54604124       6.93954663       2.72311504      -0.74670413       0.71847534       0.75917204
Li       5.81942216       9.40298139      11.10587283      -0.08510888      -0.23613516       0.53293719
Li       0.73231793       9.94526122       8.97958860       0.08553977      -0.63694850      -0.45400571
Li       3.92216382       0.41717015      10.81432249       0.45639256       2.37085551       2.51234823
Li       2.47529367       2.46275541      11.17796784       0.64863607       0.98437984       0.88741958
Li      11.39987839       0.88414532       8.63477447      -0.21188534      -0.87468819      -0.39517562
Li       9.84413275       7.15618920       0.03837757      -0.69222251       1.23040817      -0.25412403
Li       1.97481202      11.05709041       3.83736369      -0.74194025       2.02768167       0.02791431
Li      11.70762240       3.61117440       7.98593133       0.96736696      -0.02915911      -1.27057683
Li       5.82751482       5.89525957       5.67831904       0.45155843      -0.62495126      -0.01436231
Li       8.79892797       2.54968895       7.37078179      -0.01806283      -0.14358260      -0.47070804
Li       6.64757913       0.77687524       9.12312309      -0.48625223       0.78486059      -0.51565254
Li       4.77612434      10.11902103       7.77601079       0.02105660      -0.15872140      -0.52520253
Li       2.79712893       5.77514493       5.37258567       0.61073979      -0.02332717      -0.62744577
66
Lattice="11.91 0.0 0.0 0.0 11.91 0.0 0.0 0.0 11.91" Properties=species:S:1:pos:R:3:forces:R:3 energy=-571.08239881 stress="-0.0232279988715711 0.0007387955139483708 -0.006269817752667085 0.0007387955139483708 -0.018834267731938685 -7.486260156518195e-05 -0.006269817752667085 -7.486260156518195e-05 -0.012461034383357293" free_energy=-571.08239881 pbc="T T T" config_type=melt 
Cl       2.91135186       0.94894950       0.90082476       0.08109748       0.09341707      -0.24071958
Cl      10.56832659       3.57565593      10.23027315       0.37502911       0.14482488      -0.27727207
Cl       1.73987235      10.35760296       9.39481047       1.35208609       1.35013029       0.16931814
Cl       6.48607881       3.22354869       2.33365731      -0.42356185       0.33608724      -0.29043353
Cl       9.94922097       0.25349959       7.07465910       0.42270041      -0.43646239       0.64377303
Cl       7.54128099       0.43901094       3.92614341      -0.66601212      -0.70926448       0.05344968
Cl       9.99871893       3.34073118       6.14700111       2.09302565      -0.51197509       0.18305362
Cl       5.48241120       3.00111753      10.47361827      -0.45174355      -0.90427585       0.95580599
Cl       4.82033430       4.61944833       5.27678505      -0.47879498       0.14948552       0.19031846
Cl      11.66800071       2.70546369       1.89186777      -0.23936266      -0.46800653      -0.80064676
Cl      10.43367213       9.49591446      10.39070085       0.73130136      -0.33635022       0.97401092
Cl       7.54007808       3.96226644       8.09266635      -0.46545036       0.65168631      -0.08711222
Cl       5.51521134      11.23361919      11.08705473      -0.67342956      -0.28640918      -0.29311024
Cl       7.06606008       8.78857956       1.22843313       0.02348031      -0.32382525      -1.03054134
Cl       3.94232910       9.84571116       4.30453602      -2.36822283       1.92636720      -0.32256004
Cl       5.70543786       8.02994829       7.87585671      -0.52254607       0.16164313       0.10307077
Cl       8.38180542       0.46822498      10.95547305       1.51543751       0.58862420       0.39270071
Cl       6.05266200       8.20840773       4.04982876       1.26649277      -1.25961924       0.95321662
Cl       8.86262403       6.11185470       1.52490876      -0.57489714      -0.07620448      -0.52325445
Cl       9.47184435       6.62060226       5.03726304      -0.55405574       0.23548961       0.17574110
Cl      10.95259083       8.69167980       6.90082074       0.66567376       0.31885814       0.28884542
Cl       1.84746729       2.94329448       3.99923508       0.45311392      -0.33539603       0.47242025
Cl       1.56589107       0.30862978       5.69035980      -0.18660625      -0.32985503      -1.00370112
Cl      10.81626897       8.25778659       2.35666743       0.58589854      -0.91065610      -0.48041419
Cl       2.08769199       2.20429089       8.78893686      -0.32604598      -0.65671471      -0.25100921
Cl      11.82753516      11.22079212       1.98970842       1.73126413       0.37478165       0.71903173
Cl       8.70902076       6.96540867       9.39271431      -0.49151031       0.53607887       1.17053759
Cl       5.70525921      11.25634347       7.39101252       1.23917192      -1.44993637       0.73893508
Cl       2.02110318       6.56770995       3.21048342      -0.07556973       0.31247414      -0.56747781
Cl       1.44685062       4.80569691       6.69104991      -0.30696435      -0.06613794       0.36851964
Cl       1.88051754       7.29087324       8.64010950      -0.59574808      -0.54154312       1.32453725
Cl       3.73359444       7.25713221      11.68891467      -0.19882597       0.76600184      -0.45026298
Cl       1.84895604       4.31633883      11.44783245       0.42324899       0.08069807      -0.76829361
K       11.42604906       5.68589355       0.22801695      -0.10159314      -0.12126983       0.06742074
K        9.35445939      10.40739867       1.52499213      -1.64046739       0.71328924      -0.52552426
K       10.81148115       5.83026657       8.18215809      -0.02827608      -0.39050645      -1.52234140
K        8.12639547       9.08657967       5.94504324       0.58479856       0.67451150      -0.13957936
K       11.12147463       5.07763794       3.25627737       0.42655715       0.40609553       1.21402795
K       10.16089740       0.97121524       4.05180582       0.81623327       0.29290883       0.51653346
K        9.13708998       3.47218185       1.04253709      -1.07799752      -1.57438460      -0.82594617
K        4.51156755       4.96280172       8.95935705      -0.41113037       0.71029263      -1.19795918
K        3.92773935       9.79322379       1.36550532       0.75925525      -0.33963957      -0.09568549
K        3.39967377       3.86391366       1.85938920       0.56296054       0.32370474       0.30002973
K        0.64185968       0.31373918      11.34470376      -1.13468474       0.43283549      -0.67012847
K        1.17595886       8.32530438       0.23244509      -0.43158721       0.47414047      -0.02629292
K        0.73404188       8.96887314       4.29942663      -0.30835799       0.67079787       0.27640066
K        2.89145025       7.98077190       6.15798213       0.20049319      -0.83709435       0.04260051
K        4.74661140       0.59314182       2.89621425       1.34255437       0.28502688       0.67906852
K        7.97598408      10.30693782       9.08245881       0.30483210      -0.28112774      -0.09166416
K        5.72585160       5.54100840       0.27322016       1.37808459      -0.33157237       0.51293106
K        7.82458416       4.30943103       5.00614221      -1.58823590      -0.36029222      -0.27004202
K        4.23481488       1.17381625       6.51300732      -0.92295129       2.18245044      -0.73085730
Li       9.99564615       1.97215308       8.58316779      -0.68045055       0.37725188      -0.19568141
Li       7.36869318       6.63915804       7.82951490      -0.11187391      -1.39826038      -0.41105432
Li       1.42129176       1.05671594       2.62321323      -0.63716997       0.37031428       0.19136366
Li       0.59383260       2.30616903       6.61213425      -0.06101090       0.95204082      -0.50067757
Li       3.12448131       2.22541923      10.87622391       0.49174834       0.33159686      -0.30010525
Li       9.08424531       7.74849117      11.48219280      -0.62763034       0.43533416       0.46664886
Li       2.49666948       5.04174120       4.64394720       0.61471774      -0.74796489       0.79932902
Li       7.90496475       7.19852310       3.41838438       0.19738633       0.14265306      -0.61327200
Li       5.31793410       9.52715439       5.89200801       0.53734664       0.02614409       0.11438683
Li       6.71053467       1.08956729       9.84405567      -0.84018668       0.51536310       0.05708573
Li       0.27079767       9.06416505       8.88156093      -1.22248123      -0.89102395      -0.71972531
Li       1.11337181      11.89749450       7.63339293      -0.36537687      -0.56802635       1.56897044
Li       1.10484663       5.17497837       9.32987715       0.92411926      -0.70861403      -0.23503697
Li       4.88716131       9.53530083       9.82933491      -0.30929969      -0.19099131      -0.22570048
66
Lattice="11.906 0.0 0.0 0.0 11.906 0.0 0.0 0.0 11.906" Properties=species:S:1:pos:R:3:forces:R:3 energy=-571.93416817 stress="-0.02255950559430358 -0.004037384446897055 -0.004469925529448845 -0.004037384446897055 -0.019368661062164966 -0.0010295122576288688 -0.004469925529448845 -0.0010295122576288688 -0.016614057847572857" free_energy=-571.93416817 pbc="T T T" config_type=melt 
Cl       3.36442129       1.02648055       0.90701575      -0.04503026      -0.60141390       0.28674145
Cl       7.54408212       2.11519615       7.81416973       0.16659424       0.36374824       0.68180927
Cl       5.26305921       3.37121962      11.29132894      -0.91405800      -0.43855973      -1.87800587
Cl       9.93962885       9.30739644      10.83257885       0.83218374      -1.02406554       0.31240358
Cl       6.94280531       8.89635370       0.28360925      -0.14952361      -0.19000405       0.35944448
Cl       6.42972815       8.30639949       4.49089558      -0.67395660       0.06586716      -0.64663213
Cl       6.19195342      11.75575819       6.34791011       0.21231126       0.27396017       0.23679781
Cl       6.11117121       8.22972485       8.58364261      -0.17908613       1.10017423      -0.40100670
Cl       4.99522183      11.40436450      10.10482460       0.26493194       0.44691378       0.14927222
Cl      10.74487926       3.03339877       1.57769978       0.15778930       1.20214942      -1.96823920
Cl       8.67205656       1.04734106       4.23639292      -1.50763963      -1.20750285      -0.62392882
Cl      10.92775542       3.07922497       5.18436055       0.40151298       0.79796501       0.74145963
Cl      10.68914727       3.47043232       9.29801451       1.15381508      -1.47343724       0.38302435
Cl       9.01647333       0.61233630      11.03611192      -0.68378942       1.03063534       0.23528825
Cl       9.49316576       5.65769548       1.72491747      -1.19375104       1.21589403      -0.08236976
Cl       8.71814469       5.77706504       5.33955526      -1.39572645       2.22315370      -2.43854418
Cl      11.14818310       7.79729893       6.89759823       0.24496820       0.30667315       0.20758542
Cl       8.08591228       5.15298824      10.03270996      -0.60097391       0.89994242       0.09848567
Cl      10.47654183       8.55848523       3.18447401      -1.10936522      -0.50891055      -0.35360634
Cl      10.44901516      11.18273431       8.10897420       0.18526102      -0.02662763      -0.38355937
Cl       5.25927310       4.04496825       3.00967012       2.24058411      -0.31144966      -0.61819679
Cl       1.99224289      10.38105571       9.51648961      -0.45932268      -0.28239166      -0.32512748
Cl       5.51713325       5.32799453       6.75047579      -0.56657575      -0.45390253      -0.22239157
Cl       1.20433952       6.70947152       9.45885267      -0.38124193       0.29475737       0.24893625
Cl       3.62271006      10.81652956       4.28985086      -0.68024568       0.11392890      -0.55237611
Cl       2.35838810       3.06461631       3.58543237      -1.03243767      -1.34979179       0.23978352
Cl       1.81714134       3.28085308      10.81691056       0.23794029      -0.09558386      -0.36927701
Cl       0.67729662       0.52821326       5.90791198      -0.22022504       0.95725203      -2.22417049
Cl       0.30365658      10.84004391       1.73491851       0.48512177       0.93776174       0.38607809
Cl       2.11649390       4.90217644       6.60917538      -0.77666718      -1.25201809      -0.28694149
Cl       2.24174502       6.46738682       2.69454211       0.17213138       0.64334962       0.79581653
Cl       3.78779865       7.29636589      11.40930549       0.11425421       0.71388117      -0.25272162
Cl       2.71536570       1.48247559       8.01792902      -0.18805529       0.73668313       0.51262445
K        3.37711309       4.79976103       0.71664952      -0.16583588      -0.76856651       0.57512535
K       11.79111901       1.31302940      11.26171872      -0.21683251      -0.56836004       0.13157142
K        1.21513827       8.84476500       0.16013570      -0.35748258      -0.68035849      -0.65545224
K        4.39618335       2.40434526       5.97664532       0.32440805       0.06527974      -0.11546551
K       11.67059457       6.03979474       4.56206964      -0.17656486      -0.44611496      -0.44338432
K        9.93411637       4.93352494       7.25082544       1.17614258      -0.14930747       2.12837283
K        8.72805048      10.94318559       1.48564259       0.51398043      -0.53556450       0.23496605
K        8.40431443       9.33492311       6.08303733       0.60864194       0.32374084       0.56104194
K        0.50088542       5.30126556       0.66308919      -1.22651775      -0.08911799      -0.42384860
K       11.01193084       1.10978088       3.03126760       0.89549685      -1.36945796       1.78835682
K        7.68902577      10.65385789       9.46790123       0.20114317      -0.47399289      -0.38350567
K        2.87722777       7.49798209       6.26504435       0.34362723       0.58916050       0.09683141
K        7.54605852       3.34120459       5.30163465      -0.16800537       0.08159702      -0.38937854
K        3.45102554       4.91840432       9.09388614       1.06092986       0.39710009       0.28669579
K        5.58991462       1.01733794       2.98027420      -0.00606457      -0.19442726       0.19194739
K       11.63587548       9.99284867       5.11243640       0.24188903       0.28079676       0.08455256
K        4.21185465       9.67392265       1.39115657       0.10273775       0.16201935       0.17852349
K        7.46518106       2.97703577       0.58832547       2.60631800      -0.08924189       0.75554568
K        6.15530675       6.04436664       0.51202229       0.65581304       0.04218682       0.04641154
Li       1.34696150      11.50226754       7.47449155       0.65324602      -0.69691173       2.21655642
Li       2.03079451       0.83347834       2.84852241       0.29131457      -0.25745673      -0.21784076
Li      11.72236186       9.11666232       9.01808064      -0.35161624      -0.22624499       0.06679670
Li       8.84488406       7.23078764       0.17013674       0.46542563       0.42824480      -0.59868470
Li       6.22186129       1.69543821       9.50994131      -0.07563431      -0.01572623       0.36904936
Li       8.48648965       7.23413322       3.52672388       0.20601770      -0.29164517      -0.08062412
Li       6.84858123       6.42053671       8.07931635       0.83018377      -1.46274560       0.19465507
Li       1.04484199       3.40546127       8.63744582      -0.45407521       0.27218444       0.75666847
Li       5.27322693      10.15673476       5.53264676      -0.07488291      -1.00803980      -0.50753453
Li       3.31896418       1.09385303      10.21509797      -0.13299333      -0.10416086       0.62248566
Li       4.55998609       8.97359982       9.81973543      -0.58374175       0.43575904       0.52647978
Li       9.68191158       1.50760916       8.30591134       0.09869277       0.02751170       0.22684485
Li       1.11606249       2.75489362       6.33414678      -0.40422714      -0.16059345      -1.22598765
Li       3.55463155       4.73237307       3.78881066      -0.99326201       1.37342193       0.75377206
66
Lattice="12.738 0.0 0.0 0.0 12.738 0.0 0.0 0.0 12.738" Properties=species:S:1:pos:R:3:forces:R:3 energy=-569.10203769 stress="-0.012228956880057852 0.0028977089852190163 -0.0009153144546996002 0.0028977089852190163 -0.0025155054615561647 0.001577702050562839 -0.0009153144546996002 0.001577702050562839 -0.008218184174617062" free_energy=-569.10203769 pbc="T T T" config_type=melt 
Cl       6.59498486       6.64889207      10.52107848      -0.39403569      -0.39554971       0.23127693
Cl       7.93239843       1.11151788       3.42815246      -0.06707252       0.31993496       0.12852683
Cl       5.12931236       3.83732250       8.99467120      -0.33962849       0.36283349      -0.49158218
Cl       5.78556139       2.98934110      12.28029818       0.52636488       0.84473736      -0.10207716
Cl       8.15900745       1.80584078       9.97351007      -0.51116370       0.17374827      -1.44933749
Cl       8.74127417       5.27331545       2.41886977      -0.94836158       0.52870840       1.06108076
Cl       7.14450218       9.04176359       1.30930081       0.16597914       0.50217950       0.68662170
Cl       7.72955852      11.31789133       5.81930435       1.29684702      -0.52354841       0.88924128
Cl       5.30127536      11.13527936      11.56284307      -0.50744966      -0.57140216      -0.22560867
Cl       4.20932305      12.22543562       7.13265584      -0.04967784      -0.57597139      -0.45924500
Cl       9.19603351       3.46905418       7.03163076      -0.49064048       0.45870869      -0.47415375
Cl       9.95982946       4.04045539      11.14711297       0.19906471       2.09716031       0.27731828
Cl      11.34208079       7.18486890       1.69322413       0.62952079       0.63687104      -0.19697602
Cl      11.56649888       7.00837117       5.04776369      -0.38285983      -0.00080030       0.15470437
Cl       8.89316208       7.20871444       7.54736690      -0.13136569       0.32024102       0.18676918
Cl      12.26338212       6.45675208       9.65979861       0.69343217      -0.49678666      -0.00271736
Cl      11.22752796      12.19194742       4.05524420       0.50176970      -0.29837836       0.02000826
Cl      10.56738111      11.67106512       8.05230122       0.11228087      -0.26354773      -0.13832470
Cl       9.82293418       8.71914826      10.93186624       0.24205185       0.26091792      -1.20819574
Cl      12.44693670       2.28963002       5.64874253      -1.09346329      -0.39118599       1.10376938
Cl       0.53649017      10.13013652       5.91481387       0.82666691       0.21243969       0.45255352
Cl       8.84924146       0.40825290      12.46529216       1.07063868      -0.72392448       1.03016347
Cl       0.69598521       3.58932638      11.74555694      -0.65291307       1.09713656       1.42680599
Cl       1.86470308       5.21019866       8.18168109      -0.45514604       0.03763564      -0.02088157
Cl       3.00709787       1.30377251      11.15152031      -0.55915893      -0.23185045       0.62456396
Cl       3.63638055       8.04123190       7.21433189       0.12634796       0.75437250      -1.16559407
Cl       3.52716494       0.18853769       2.89421372      -0.33825734      -0.78230983      -0.43799087
Cl       2.87624040       6.85877610      11.50866836       0.64559805      -0.29822394      -0.20274004
Cl       3.89189209       4.65633769       5.03615937       0.59390814      -0.41327187       0.34749540
Cl       1.39428874       2.77396700       3.31293725       0.93892518      -0.59101815      -1.57046433
Cl      12.53214500      12.70558179       0.55577550       0.64031879       0.20461794       0.72208243
Cl       0.34566728       0.93044339       9.23865485      -0.52808747      -0.13850583      -0.60471174
Cl       3.15497332       8.58550117       3.55151999       0.71956020       0.21249722       0.24617268
K        2.60181293       1.68702072       5.29768325       0.87936521      -0.53642504       1.54692780
K        8.80854355       7.07871041       0.05036045      -0.49332850      -0.83923063       1.11246771
K        1.37351306       5.79110242       5.27681840      -0.02381368       0.11168016       0.13686030
K       11.61626624       3.60960527       8.66731734       0.27945504      -0.34091319      -0.44322387
K        0.57332719       9.24980060       3.20224403      -1.18082190      -0.39871795      -0.33443111
K       10.18131781       3.29763892       1.54029170      -0.47351981      -1.50689418      -0.31380648
K        9.36807293      10.00397937       3.16099839      -0.44057449       0.10425039      -0.62031995
K        3.39568330       3.06798551       0.78069546      -1.01032559      -0.35303075       0.71370654
K        5.70682781      10.99867705       4.23124515      -0.88312803       0.17999218      -0.96345715
K       12.66504947       4.48978834       2.28439471      -1.00988305       2.07567470      -0.97538706
K        6.22334097       0.31437384       0.69444774       0.09459278       0.28030777       0.63951608
K       10.46723495       9.50989783       6.03959532      -0.88994969       0.20922943       0.23110006
K       11.09265802      11.52428515      11.24812531      -0.69257294      -0.18656202      -0.72692916
K       12.32981079       8.88020753       8.58820162       0.06864891       0.79538013      -0.18064015
K        5.30108429       0.85813486       9.64716251       0.03085786       0.49054881       0.10736457
K        6.75507604       3.84595886       5.11103333       0.32913623      -0.34354796      -0.45738867
K        2.39119010      11.32144523       0.38317305       0.60653131       0.59578210      -0.68808035
K        6.80823172      11.06477453       8.87295961       0.40841440      -0.11146672      -0.26004648
K        4.39538702       8.68178771       0.91912695       0.22804182      -0.37822686      -0.56354836
Li       0.68073273      12.57383011       2.87310685      -0.37742368       1.07855273       0.05944383
Li      10.44563131       6.09714560      10.39521430      -0.65317538       0.11282061       0.58479361
Li       3.44715756      10.14296369       6.20194113      -0.51676103      -0.09894851       0.39152345
Li       0.33751369       1.63447647      11.18737778       0.79166127      -0.99094169       0.57481421
Li       9.82744343       2.07875243      11.54028407      -0.88773895      -1.35375787      -0.56241269
Li       1.75616258       4.00374447      10.00102415       0.65375384      -0.10435659      -0.25757117
Li      12.10702317      12.06299937       6.32688817       0.15278832       0.53064147       0.20091986
Li       3.66826376       4.68222130       7.36856360       1.25839232      -0.30756256      -0.50854530
Li       8.24366420       7.58333902       9.59480933       0.18334347       0.64841367      -0.01839925
Li       4.80041720       4.99841668      11.52264194       0.54364171       0.16089668      -0.61229758
Li       3.59588645       7.32702498       9.09411677      -0.18620975      -0.73463531       1.70412733
Li       7.42719661       4.05762621       9.05574991       0.30891319      -0.64260919       0.28533391
Li       9.59450362       6.12445588       5.85028316       0.48591233      -0.74820158      -0.43168283
Li      10.00094773       1.27529035       5.82166088      -0.06421695       0.27339254      -0.20928537
66
Lattice="11.8792 0.0 0.0 0.0 11.8792 0.0 0.0 0.0 11.8792" Properties=species:S:1:pos:R:3:forces:R:3 energy=-571.84702094 stress="-0.026794386475671134 0.003177935974036153 0.002658283802614329 0.003177935974036153 -0.022421804321462735 0.00020316563465859805 0.002658283802614329 0.00020316563465859805 -0.015100862049727895" free_energy=-571.84702094 pbc="T T T" config_type=melt 
Cl       3.67795475       1.32921120       1.80064914       0.93528752      -0.04771989       0.16974752
Cl       4.67031936       1.25171130       7.78176694       0.51365871      -1.01898794       0.44359591
Cl       5.92548751       2.16351118      10.28717337      -0.00943516       1.22920540       1.28648898
Cl      10.74383358       9.83455210      10.47607641      -0.97000187      -0.81946607      -0.93931204
Cl       7.15186048       6.12524814      10.44776828      -1.53671574       0.88750408       0.37084950
Cl       6.24184249       8.77908518       1.19928839       0.40998664      -0.94822812      -0.82231658
Cl       5.97440606      10.01705225       4.34699129       0.24012999       0.57616390       0.89577140
Cl       5.15393347       7.67999783       8.71490186      -0.41166842       1.03775141      -0.85240347
Cl       4.34994921      11.10055408      11.21793245       0.61853153      -0.95774565      -0.60137863
Cl       8.15731597      11.70563301      11.05209882      -1.10166774       0.92739545      -0.40986817
Cl       9.49657698       0.16838885       3.67943965      -0.47303252       0.08358418       0.36793023
Cl       9.66943122       3.15689740       7.50834339       0.25955665      -0.95896039      -0.47745147
Cl      10.84360698       2.04627535      11.79224426      -0.46019611       0.70453225      -0.43058024
Cl       9.25053499       8.36543955       2.08039242       0.78883633      -0.19448951      -0.56352790
Cl       8.60858302       5.87755494       4.53492024      -0.70462135       0.89177415       0.14029441
Cl      11.72848859       4.37692688       3.30484096      -0.88167865      -1.00683862       0.25282336
Cl       9.95592188       5.85878580      10.65188857       1.28124056      -0.68168324       0.01014361
Cl       9.05868591      11.27235107       7.63712580      -0.41116082       0.71426938       0.10989053
Cl       8.23040869       8.17435074       7.46290545      -0.21105301      -0.57569281       0.94858155
Cl      11.40067019       8.92648229       6.03047588       0.82114982      -0.36434937       1.07193743
Cl       6.35134495       1.93177175       4.61419014       0.37676647       0.54682659      -0.61116332
Cl       7.46243029       4.04233733       1.35577310       1.33784900      -0.23513234       0.86503471
Cl       6.03656991       4.61677980       6.68023248       0.03727902       0.41780701       0.07846955
Cl       1.04856154       4.26880240       7.49064339      -0.25612119       0.84989888       0.75214769
Cl       1.97452499       9.04197187      10.59028304      -0.66179368       0.69443613      -1.11820061
Cl       2.04860368       7.17912324       3.16880036       0.93893766       1.33347288       0.31781898
Cl       3.35543447       4.26055823       4.05634291       0.65980614       0.45541015      -0.47977853
Cl       0.13972077       1.41329218       4.93501169       1.50652588       0.70653767      -0.28193221
Cl       3.62486660      10.21556556       6.58705204      -1.20428912      -0.18014851       0.00654565
Cl       3.20686132       6.37161087      10.93886629      -0.09361546      -0.54678148       1.14209574
Cl       0.98019437      10.59600882       1.77794798      -0.13549059      -0.06436813      -0.36385568
Cl       0.54670811       0.72639882       8.16392080       0.10053862      -0.56955347       0.12746038
Cl       2.45577514       3.04529232      11.10588784      -0.50705106      -0.50946093      -0.82352897
K        1.56130701       5.06363967       1.53581425       1.61879811      -0.30800807      -1.54039701
K        8.05169800       3.83988012       9.57705856       0.29681395      -1.07755684      -0.04792965
K        7.22325447       0.86860829       1.84316479      -0.77991299      -0.00459657       0.19784861
K        5.00037105       4.15611631       0.56849456      -1.54879359       0.09488230      -0.26761241
K        2.87091754       2.65990731       6.31699030      -0.32538812      -0.39111891      -0.91285385
K       10.09881678      11.31019820       1.07070081       0.30424366      -0.79427590       0.72012360
K        8.79684458       9.50301550       5.17777502      -0.40018222       0.51333504      -1.56936112
K        1.00041990       1.81795713       2.23124638      -0.23015565       0.02661041      -0.07347283
K       11.25286918       6.94434274       3.78544963      -0.69058281       1.01388419       0.25933192
K       10.10620564       5.92142482       7.06023621       0.55135421      -0.00025735       0.08779739
K        9.41664184       3.29475552       4.44032617      -0.41951677      -1.09688629      -0.08307355
K        2.38141134       6.98192852       7.03351989       0.12889436       0.18179265      -0.01436105
K        0.71763198      11.75872115      10.97187858       1.57173790       0.06009719       0.49288955
K        5.44499763       7.22510763       3.85723564       0.17667542      -0.21528576      -0.09861892
K        1.25040459      10.76715245       4.49517243       0.30034402      -0.37842074       0.33803233
K        4.01860269       9.81572356       2.13927761      -1.38664327       0.90562604       0.07146325
K        4.40436783       4.72047334       9.09773284      -0.11232431      -0.46647406      -0.03919765
K        7.32401385       9.17411609      10.40500316      -0.19826112      -0.48394534      -0.21258324
K       11.72409329       7.35786957       0.16619001       1.25408043       1.22662570       0.33143013
Li       5.62870946      10.23542758       7.41254952      -0.08694877      -1.04046630      -0.05947924
Li       9.78577610       0.23997291       9.72180661       0.43162813      -0.08039211      -0.45224798
Li       8.70853461       7.13271121       0.20312838      -0.82702168      -0.04151052       0.42362341
Li       0.82305156       2.64308636       9.28441446       0.04067825       0.81665876       0.09929972
Li       9.36307853       4.23527930       0.38935860       0.73817191      -0.32787019       0.00875600
Li      10.53764631       1.14086768       6.26583847      -1.03679970      -0.30561991       1.21273966
Li       1.77990805      10.54907410       8.00011852       0.21343242      -0.03063753       0.37128980
Li       6.96971671       6.35607287       7.90015505      -0.58282446       0.30715392       0.17441597
Li       6.62050386       0.63716227       9.05124953       0.30706817      -0.27074926       0.08759801
Li      10.13643821       9.19583127       8.20752935       0.17191042       0.43149600       0.01598406
Li       4.15558174       8.60444906      10.83751295      -0.12866690      -0.22035673      -0.04386864
Li       5.59068414       4.09528292       4.31571336       0.11888776      -0.60871737       0.48736365
Li       5.59941535       0.58011242       5.99596680      -0.09426025      -0.48974069      -0.87467711
Li       3.93300117       1.20103464      10.69295497      -0.17292458       0.67776119       0.32741790
66
Lattice="11.8787 0.0 0.0 0.0 11.8787 0.0 0.0 0.0 11.8787" Properties=species:S:1:pos:R:3:forces:R:3 energy=-569.52194594 stress="-0.030269322108685215 0.0027255166398693215 0.0009943280031164965 0.0027255166398693215 -0.025053984241735355 0.0029829859005267544 0.0009943280031164965 0.0029829859005267544 -0.013791592888783216" free_energy=-569.52194594 pbc="T T T" config_type=melt 
Cl       3.73282208       1.41527583       1.81402003       1.06475373      -0.20599910       0.28280823
Cl       6.13577618       2.23961010      10.34622891      -0.78444078       0.59821877       1.19201477
Cl       7.53336463       4.16184509       1.32809805       0.89307063      -0.26419355       0.70396081
Cl       5.95557630       4.55707320       6.63995573       0.18249171       0.41582810       0.32257684
Cl      10.89627212       9.73959558      10.40448206      -1.12193508      -0.57322801      -0.81379523
Cl       7.08900622       6.10501035      10.36645834      -0.99961317       0.14399341       0.43053067
Cl       6.22063762       8.61987368       1.30057511       1.17834402      -1.19084766      -1.16010953
Cl       6.19292461       9.87549979       4.55057555      -0.83925768       0.61856772       0.51954039
Cl       4.24606507      10.82074734      11.31092190       1.72513705       1.83272795      -0.98578501
Cl       4.62043418       1.28805496       7.95278965       0.51740315      -1.18773112      -0.10448824
Cl       9.32366290       0.09373708       3.71522973      -0.44400819       0.45166573       0.01886649
Cl      10.95041523       2.09267058      11.79756848      -0.40444604       0.96959251      -0.61667399
Cl       8.42421962       5.73883754       4.52273187      -0.43735549       1.11928952       0.12129579
Cl      11.55066970       4.43322587       3.40405530       1.10547829      -0.82652808      -1.58374214
Cl       9.95817554       5.94324621      10.77875614       0.68726229      -0.42778443       0.04122780
Cl       9.29238629       8.52864527       2.16040293       0.87950452      -0.22643458      -0.46102921
Cl       9.10403762      11.25022174       7.73399587      -0.54911401       0.40152602      -0.28882002
Cl       8.19415296       8.18164468       7.64115196       0.18994179      -0.38643417       0.14795466
Cl      11.36630040       8.99919621       5.82301001       1.04939694      -0.44442493       2.07948536
Cl       9.60010401       3.21154909       7.27663029       0.64168692      -1.53666844       0.71128139
Cl       6.39058618       1.85415816       4.64338383       0.65980972      -1.30245706       0.12582385
Cl       5.18204724       7.65293563       8.67073828      -1.64721340       1.96574961      -0.48364884
Cl       2.13988841       9.07291542      10.70886187      -2.87276567       0.49097309      -1.41870105
Cl       0.03297919       1.32328718       4.75721741       0.37463179       0.24603060       1.31934726
Cl       0.52527730       0.66861401       8.08572418       0.01321330       0.08569545       0.16015321
Cl       2.44411380       3.12724596      11.29738018      -0.44658436      -0.84870391      -1.48158578
Cl       3.55498606       4.43056504       4.06756385       0.51285247       0.16506253      -0.42008986
Cl       0.99534597       4.33194807       7.35485153      -0.30514840       0.83045270       0.91046963
Cl       3.09469832       6.39550396      10.97452899       0.26752753      -0.89775724       0.69918993
Cl       1.05565057      10.57106895       1.64000896      -0.30159710       0.07561525       0.33943330
Cl       1.93993425       7.42318969       3.33348394       1.12444788       0.55980542      -0.11222293
Cl       8.20713637      11.78443064      10.92627771      -1.35947871       0.11270066       0.41867113
Cl       3.56495229      10.17922627       6.60732494      -0.89275068      -0.05159955       0.21006127
K        0.99282650       1.62168012       2.21161200       0.03359304       0.41911492      -0.26584776
K        2.82484989       2.62900576       6.34933145      -0.01372163      -0.31568494      -1.27329824
K        8.87600221       9.56445603       5.06454314      -0.82852656      -0.24455733      -0.56516428
K        0.69196278      11.81001736      10.88528432       1.75817043      -0.10988908       0.64461381
K       10.07361275      11.51948811       1.02044329       0.51187508      -1.15030434       1.09639090
K       10.10178902       5.90251415       7.12033035       0.19062052       0.46497791      -0.06117397
K       11.24851121       6.92674318       3.92581532      -1.26918315       1.10250855       0.05642818
K        0.05737412       7.20474040       0.26249195       0.84273924       1.77955893       0.04672166
K        1.52716131       5.08098326       1.40111642       1.05433091      -0.43280495       0.32923264
K        4.98963606       4.26856333       0.53042078      -0.87407021       0.06557179      -0.13314046
K        8.08066386       3.81106708       9.31026373       0.10308236      -0.08915381       0.67298483
K        9.61617589       3.33572902       4.68762011      -1.14675451      -1.56819394      -1.18421548
K        1.31909400      10.69118636       4.64674550       0.47294917       0.04155114      -0.87718805
K        4.37617247       4.85173623       8.95319001      -0.58629305      -0.74979052       0.60535216
K        5.29525125       7.13372953       3.72678770       0.21904499      -0.35668591       0.22601221
K        7.22146561       9.13102602      10.39695096       0.12545212      -0.27376722       0.24765832
K        4.11709803       9.84098029       2.07303509      -1.77445933       1.07303284       0.80692767
K        7.07156829       0.76689719       1.79466963      -0.68030690       0.15121206       0.19965791
K        2.39423514       7.10378332       6.91191856       0.11903828      -0.03096499      -0.20089083
Li       5.71139775       0.29383152       5.93074982      -0.29827042      -0.37474359      -0.27095279
Li       5.85332445       3.68467771       4.10129936      -0.65757397       1.61317544      -0.00463864
Li      10.25472729       9.15391628       8.10369665      -0.20864673       0.29490284       0.10488907
Li       0.69785581       2.72127950       9.29814745       0.03556077       0.58983020       0.00386651
Li       6.81726908       0.52571681       9.28954728      -0.16709185       0.12880005      -0.23703919
Li       3.90291319       1.30050383      10.34600322       0.36608170      -0.11207327       0.51020183
Li       9.55152013       4.49174035       0.59545666       0.25534925      -0.63209381       0.11184288
Li       8.59612816       7.22557564       0.46449162      -0.68481716      -0.17370650       0.23623799
Li       6.61877600       6.26848502       8.08066386       0.99320059       0.01617195      -0.60544769
Li       4.11741875       8.74054940      10.67933142       0.68401090      -1.05867329       0.05283795
Li       9.84209689      11.86434281       9.72797821       1.05957179      -0.12354601      -0.67977663
Li      10.11637607       0.92164101       6.40026732       0.45263398       0.25921629      -0.38848458
Li       5.42338679       9.89943537       7.78459914      -0.22930769      -0.77738172      -0.32473923
Li       1.47472873      10.50749414       7.85865095       0.48047310      -0.13831288       0.29614037
66
Lattice="11.8759 0.0 0.0 0.0 11.8759 0.0 0.0 0.0 11.8759" Properties=species:S:1:pos:R:3:forces:R:3 energy=-568.8395901 stress="-0.027620270509192545 0.006539427079374344 -0.0006629329165155673 0.006539427079374344 -0.03310702779042824 -0.0006694879928184257 -0.0006629329165155673 -0.0006694879928184257 -0.026166154471201235" free_energy=-568.8395901 pbc="T T T" config_type=melt 
Cl       7.67792374       6.00371873       4.70390148       0.28232849       0.47700661      -0.08635427
Cl       6.00649769       7.55143353       0.87366127       0.08373599       1.33300057       1.18992044
Cl       4.16516315       4.27393452       3.51108608       0.80215717       1.40592301       1.93276592
Cl      10.74171592       9.07758168       9.45467714      -0.25141729       0.41628256       1.65845437
Cl       5.80023706       4.49059844       7.01819374      -0.95316131       0.45522524      -0.71938244
Cl       4.18323827       7.91223524       8.21283802       0.39235997      -1.30535202       0.02340982
Cl       6.03057014       5.89745318      10.13146092      -0.28172886       0.80865209      -0.06312396
Cl       5.88482910       9.06348499       6.01762541       0.39595073       1.35152615      -1.54925707
Cl       5.32047446      10.90451076      10.98065903      -0.98353436      -0.46596236       0.35571465
Cl       8.61816249       0.31662218       3.32782907      -0.72072914      -1.10834949       0.87217250
Cl      11.71670356       0.89500345       4.59245803      -0.79194128       1.35480275      -0.33636913
Cl      10.18649385       2.22459359       7.50612697      -0.55153877       1.71656132       0.10834782
Cl      11.13155422       2.67911991      11.40199221      -0.12553243      -1.16184108       0.11848890
Cl       8.20762450       4.23827119       1.90126033      -1.41816640       0.66980231      -0.75152064
Cl      11.29586917       4.68557697       2.40378904       1.18066002       0.04270261       1.27307774
Cl       8.20501181       7.75657782       8.06803518      -1.46004332       0.10378457      -0.53901016
Cl      10.77456466       5.89696627      11.62017625      -0.29093629       1.15001099      -1.41520787
Cl      10.24973301       8.81923335       1.85151219      -0.63448912      -0.09927359       0.59348890
Cl       8.46315824      11.34528479       7.22419310      -0.03922392      -0.15065366      -0.24004542
Cl      11.67060132       8.86332857       6.74095085      -0.68735997      -0.82010073      -2.69344907
Cl       6.27527306       2.59208144      11.38319266       0.29554840      -0.33740710      -0.11767108
Cl       4.59545076       0.71455271       8.46239819       0.50087277      -0.08302513      -0.45817133
Cl       8.64808976      11.75583465      10.89094848       0.23124101      -0.12010737      -0.15539879
Cl       1.11107239      10.71247746       1.53456817       0.16115181       1.32204494       0.14348097
Cl       2.72617222       6.07264646      11.38003367      -0.12322653       0.49130807       0.49894472
Cl       0.94130521       5.25472947       7.58657431       0.13933424      -0.80758773       0.02943869
Cl       2.40834939       8.29162275       3.53322276      -0.65333351      -0.10300889      -0.53679440
Cl       6.24398007       1.62683204       5.12208755      -0.43343991      -0.88519271      -0.00766431
Cl       2.50443730       2.52860475      10.64644745       0.29207177       1.85912344       0.55517045
Cl       2.75079097      10.32881463       7.02789635       0.54425873       0.35102234      -1.44258237
Cl       0.53510193       0.24851627       8.22983244      -0.47200548       1.79544018       0.29397104
Cl       4.00469599       1.78741796       2.15584400       0.49130592      -1.60842911      -0.03233606
Cl       2.06871052       9.14274475       9.88608108      -0.42886505       0.48020105       0.84979581
K       10.26692932      11.71964878       1.33426924       0.76581179      -0.03603545      -1.06604375
K        2.09531254       0.00627879      10.65290794      -0.25413152      -1.46607343      -0.46541660
K        9.08810373       9.56697565       4.61451158      -0.64528060       0.35364687       0.37718359
K       10.19103044       6.08623249       7.74343120       0.35410947      -0.30701191       0.14766583
K       10.46877211       6.99289807       4.24707123       0.48778049      -0.72069693       0.06141186
K        2.29976803       4.37737361       1.78384331      -1.56956061       0.48304255      -1.30869664
K        2.33223675       2.39040490       5.74766245       0.27068216       0.14114242       0.67421900
K        2.35752054       7.30070953       6.13860521      -0.18312718       0.15554548       0.37840007
K        3.44351221       4.87958167       8.94298023       0.74982511      -0.28574589      -0.10153744
K        9.61816078       2.76706095       3.60086789       0.16476435       0.74663954       1.12781619
K        1.36562162       1.48473689       1.82529020      -1.42317092       1.19579324      -0.27835230
K        7.16683250       8.75373777      10.56716394       1.00764607      -0.01088674      -0.57094106
K        6.57145801       0.11981477       1.37293717       0.39433156       0.57932216       0.27763410
K        0.99964794       8.28659924       0.74241001      -0.20779228      -2.22179769      -1.15211776
K        5.26994250       4.93305885       0.74494670       0.18528770      -0.37124602       0.35170329
K        7.59492307       4.10918016       9.04042199       0.97017838      -0.83390263      -0.15657956
K        1.61616748      10.97179961       4.46920994       0.81593588      -1.61011107       0.65763144
K        3.81072692      10.46492432       2.21743242       0.79068229      -0.10328300      -0.44785113
K        5.07287382       7.64988474       3.57438463       1.05317245      -0.99925501       0.27418904
Li       6.94127354       0.93808447      10.10421761      -0.87164481      -0.37886968      -0.67349799
Li       9.53521949       9.47065022       7.67611860       0.25354964      -0.10656963       0.49455235
Li       4.25401864       1.91671088       0.02458311       0.11301093       0.06221206      -0.91811322
Li       0.09003345       4.12496323       9.90648388       0.34650204       0.14873594       0.11502058
Li       0.61965952      10.14250551       8.25588816       0.35436871      -1.43275591       0.56705352
Li       5.76589196       7.22016717       7.00270757       1.40911717      -1.40484251       0.37180601
Li       9.87490586       4.15633936       0.58362923       0.23641849      -0.23227142       0.03314529
Li       9.21265817       6.93350670       1.29187228      -0.21762251      -0.75152143      -0.49595584
Li      10.06109622       0.49335458       8.96970101       0.28772575      -0.30255301      -0.04277886
Li       5.30865793      11.24665544       6.36883140       0.06531892       0.77201297       0.40712620
Li       9.76269048       0.80878561       5.88815435      -0.23242783      -0.18116861       0.18286418
Li       4.24305718      10.03192901       8.72853711      -0.36311071       1.34479075      -0.31026593
Li       3.95845124       8.28887941      10.22509052       0.07899829      -1.24816653       1.68308358
Li       5.96798415       3.74298678       4.72907839       0.32034724       0.49375068       0.45333760
66
Lattice="11.8708 0.0 0.0 0.0 11.8708 0.0 0.0 0.0 11.8708" Properties=species:S:1:pos:R:3:forces:R:3 energy=-571.77847109 stress="-0.02581627381339954 0.001277100547740061 0.0006413335750005721 0.001277100547740061 -0.024363188523191314 0.002326999783668295 0.0006413335750005721 0.002326999783668295 -0.021036001482265546" free_energy=-571.77847109 pbc="T T T" config_type=melt 
Cl       4.14006021       5.40401551       4.72129019      -0.58130223      -0.40839909       0.17016327
Cl       5.05972670       1.27856826       8.05404103       0.67857388      -0.30925879       2.16528620
Cl       6.91406436       2.20259133      11.53641143      -0.08608816      -0.24994842       0.17719105
Cl       7.24876157       5.22323510       3.94465497       1.14626642       0.71347588       1.66519024
Cl      10.38010055       8.37433896      10.18957421      -0.62092947      -0.42010856      -0.10570841
Cl       5.95624512       4.73936942       7.37620648       0.44409142      -1.36861359       0.48184129
Cl       7.09415627       5.88056877      11.19069813      -0.02553256      -0.42327986       1.01335969
Cl       6.16834071       8.94559746       1.42641907       0.30710114      -0.75971291       0.37396744
Cl       7.81429835       8.24475730       7.42162416       0.16616105      -0.70220422       0.81851066
Cl       4.41853731       1.53445522       5.35504846      -0.33030852       0.48969979      -1.32265752
Cl       5.91467358      10.48621363       5.96781915      -0.68716890      -1.06596387      -0.89937629
Cl       9.11462579       0.16530089       3.40716889      -0.43615181       0.17202908      -0.06515763
Cl       9.69868102       3.52099799       6.37066662      -0.18290538      -0.65444117       0.44519468
Cl      10.01116796       2.79538347      10.97772410       0.73538275      -0.50769942      -0.10412717
Cl      11.72099050       0.46922305       9.03880699      -0.61813864      -0.17271808       0.40386638
Cl       9.64166556       5.02382940       1.90446806      -0.74962409       0.52744133      -0.41125384
Cl       9.83048251       8.99166804       2.43232692      -1.17665116      -1.09352548      -0.86000629
Cl       9.37179480      11.66228940       6.69393225      -0.06890760       0.48749090       0.78950090
Cl      11.56009368       8.64762851       6.29977421      -0.93367955       0.05722032      -0.17438847
Cl       4.87731998      10.30872143      10.08204850       0.23182168       0.35598717       1.01287310
Cl       5.13737360       1.49229014       2.36219423       0.07054176       0.83648881      -0.56132981
Cl       8.12124163      11.26527049      10.44325320       1.09923431       0.02865851      -0.89980352
Cl       2.23959261       8.54902965       3.12953462       0.74630262      -0.84505952       0.24867250
Cl       1.56511750       9.06938617       9.95363019       0.07171421       0.16898163       0.41135204
Cl       0.06787023       1.26162862       4.54492571       1.68348385       0.23524414      -0.93931605
Cl       3.95394981       7.63723350       7.79118591       0.42352713       0.23215706      -0.04903344
Cl       2.16175578      10.72392640       6.68320105       0.35937128       0.23354815       0.05534363
Cl       3.63825775       6.35880769      11.83057306      -0.06664885       0.76980462       0.41844103
Cl       0.36218642       5.29913699       9.99824065      -0.70864146       1.02837354       2.99890581
Cl       0.71222426       5.04082838       2.27410103      -0.25523309       0.60429216      -0.49206371
Cl       1.47049535       4.89357111       7.54341857       0.18049002      -1.18611780      -2.03009598
Cl       2.54933740       3.06517114      10.96521228       0.03121512      -1.13859457       1.39131331
Cl       1.55008906      10.75635743       1.11292786      -0.42833627       0.17042475      -0.97871158
K        8.02314134       2.75441734       2.88785700       0.03565563       0.34033190      -0.57940995
K        0.34253431       7.57653810       0.90827408       0.60516634      -0.13732411      -0.58866053
K        7.36305363       8.42975185      10.51925007      -0.31562369       0.50298905      -0.60143516
K       10.67589714       5.54914791       4.71992505      -0.11832776       0.28040231      -0.61614939
K       10.86701702       6.45702669       7.96136569      -0.70349147      -0.03721623       0.03194490
K       10.76706489      10.55362790      11.79294904       0.06438829       0.61042916      -0.09500491
K        1.47740416       1.68202114       7.02109150       0.71581040       0.30394732      -0.45764890
K        8.36805930       9.63335600       5.14273920       0.90695292      -0.68497975      -0.96580937
K        2.32077701       3.44897784       3.40022447       1.42368627      -1.22642590       1.21463462
K        2.48530630       0.44697598       9.98838789       0.75193459      -1.10513079      -0.19208115
K        1.86997151       6.91997602       5.58383439       0.39124022       0.41436441       0.18925940
K        0.71868910       1.38242588       1.59132822      -0.53873949       1.28503384      -0.18343184
K        4.96081919       7.97777114       3.92570917       0.07988504       0.53551678       0.38204632
K        7.27721588      11.48898759       1.28355399       0.10639669       0.33655149      -0.11442761
K        4.01523875      10.84871225       2.23715910      -0.01442976      -0.65031079       0.44676809
K        3.71565537       4.94348782       9.41496890       0.41598548       0.56265960      -0.79599062
K        7.78625952       3.86026545       9.47083288       0.11291837       0.21932663      -0.91466355
K        0.06482003      10.10930386       3.54446656       0.47398290       1.13419804       1.59718173
K        5.38936694       5.31649210       2.22012450      -1.15311650       0.02205957      -2.41656313
Li       5.20191514      10.41069160       7.96537802      -0.69438355       0.10879063      -0.22819927
Li       5.33924842       3.54611660       5.53077191      -0.02314543       0.39107142       0.33509148
Li       6.52477335       0.37490361       5.15426575      -0.26869601       1.20996644       0.03752339
Li       9.72877349       9.74526204       8.57831491      -0.62763098       0.06791913      -0.64975397
Li       0.67926736       9.81940705       8.09377260       0.51207218       0.14204552      -0.40325196
Li       6.32438237       0.63089029       9.92728888      -0.55827628      -0.02886128      -0.39636905
Li       5.75984274       6.64883508       6.74881096      -0.04681474       1.11961587       0.13565927
Li      11.00647518       4.59483056       0.16548133       0.23120633       0.12823130      -0.16059437
Li       8.26142391       7.34961589       1.70645124       0.07908171      -0.51640199      -0.12024290
Li      11.78265931       3.36869562       9.47245918      -0.04217856      -0.80652699      -0.02847316
Li       9.53711943       0.92387825       8.67491948      -0.01283925      -0.01008724       0.14549590
Li       9.99302937       1.46727836       5.07027984      -0.85285510       0.09564857       0.97427516
Li       3.70703717       8.38219743      10.26973772      -0.35733131      -0.61585107      -0.07383928
Li       4.92417403       2.42989341       0.27015804      -0.99751437       0.20234465      -0.05582367
66
Lattice="11.4557 0.0 0.0 0.0 11.4557 0.0 0.0 0.0 11.4557" Properties=species:S:1:pos:R:3:forces:R:3 energy=-566.95010012 stress="-0.049843726979441894 -0.003950047047147625 -0.001611207339120349 -0.003950047047147625 -0.04500304974116871 -0.005854182140865752 -0.001611207339120349 -0.005854182140865752 -0.03181591499228548" free_energy=-566.95010012 pbc="T T T" config_type=melt 
Cl       1.40728692       1.61410813       2.13420837      -1.03282768       2.90281838      -1.10009352
Cl      10.84110170       2.78085972       9.49090998       1.11971919       2.12460723       0.24189229
Cl       5.35358083       2.42343042       2.83166575      -1.12351524       0.95080295      -0.23837742
Cl       6.24142049       2.42455308       6.33267659      -1.62604790      -0.83096622       0.05681647
Cl      11.38028713       1.23530250       5.83406725       0.44757467       1.36798156      -0.42980788
Cl       8.68469218       1.25197054       8.47065388       0.17288832      -0.29231022       0.87726853
Cl       5.20563046       0.99167756      10.08595341       0.12399160       0.62574537      -1.68339629
Cl       8.49005984       3.08379425       2.26840044       0.71269523       0.76734278      -1.22295314
Cl       6.44019979       7.28980033       1.30683189      -0.04828112      -0.07105865      -0.49977443
Cl      10.16811369       0.11039091       1.04506342       1.10575049      -1.08633555       0.85863617
Cl       3.90615313       7.45487696       4.00029607      -0.09782886       0.19045966      -0.14986580
Cl       5.62756680       6.80877548       6.78082358       0.00091764       0.46703097       1.26826780
Cl      10.39561243       9.79870173       9.22821932       1.72662702       0.16900455      -1.77812381
Cl       3.87204951       5.45933985      10.67414632       0.35814303       1.27686455      -0.60875988
Cl       7.14546996       4.13095979       9.82264414       0.12634044      -1.30213967      -0.26316858
Cl       6.53878755      10.90164507       1.21320445       0.12474582      -0.65941317       0.73120782
Cl       5.31238613      11.27499779       5.16536367      -1.13619103      -1.36547333      -0.31203544
Cl       3.09752963       8.98191032       7.31476230       2.23741880      -0.91205711      -0.05621215
Cl      11.19614821       5.21384420       0.63631602       1.05713318      -1.64716710       0.32285841
Cl       7.92539693       5.78280299       4.74606214      -0.08074695      -0.36864349      -0.15245414
Cl       2.94339319       0.91242818       7.23076911       1.04483745      -0.06258450      -0.00095889
Cl       7.91977218      11.21330884       6.19224117       1.62408504      -1.75625657      -0.59862619
Cl      11.02211321       9.33472297       5.33438107      -0.52283134       0.15451709       0.21930602
Cl       1.25229130       0.37737940       9.95597703       1.45917336      -0.29263275       1.94457286
Cl       1.78177376       4.84177452       4.08569832      -0.40038122      -0.22058504       0.08655033
Cl       2.65873050       3.85603444       7.93726504      -0.59852446       1.53585540      -0.27801686
Cl       9.96083425       7.64946349       1.77767261       0.06072878       0.96221550       0.03006489
Cl       9.35855082       6.45604303       9.83455807       0.07845684       0.31188079      -0.32462872
Cl       2.04386872       8.35267163       0.60888993      -0.70507351       0.73077583      -0.87384615
Cl      10.81382567       5.75356805       6.57379617      -0.07852207      -0.86518472       0.63115647
Cl       2.75288490      11.15279984       3.31572635       0.24748154      -2.69529866       1.09697907
Cl       1.04674282       7.21004574       9.09597472       0.91630778       0.98213395       0.37735358
Cl       6.60534516       9.54628684       8.86429465      -1.22400961       0.50174671      -0.03766754
K       10.22633155       4.52137004       3.80541170       0.93040265       0.37510174       0.23501879
K        7.97247986       4.04839856       7.16103826       2.12800260       1.45238758       0.43712005
K        8.73048062       9.73968196       3.22351942       0.48899019       0.78399281      -0.12395916
K        8.15579397       1.38020565      11.45329430      -1.23911918       1.39699806      -1.22628383
K        8.75700056       8.59512006       7.34689554      -0.00589047      -1.08479400      -1.01999728
K        4.50748573       9.30325416      11.21732979       0.63039176       0.09855352      -0.29915533
K        6.77642459       6.74956097       9.51579176      -1.64197908       0.54596829      -0.21224230
K        1.13630119      10.47624911       7.69535502      -1.07999825       0.18054605      -1.27433865
K        3.11316666       2.52931546       4.89410415      -0.36724405      -1.67584157      -0.59207393
K        2.62139638       3.11000489      10.92684761      -1.31804032      -0.74858448      -0.15185559
K        2.78903909       6.01953503       1.81881003       0.10666611      -0.61859697      -0.17732053
K        2.11118241       6.55334774       6.29841259      -0.23285056       0.05450547      -0.27774877
K        1.07573147       8.60307032       3.13517306       0.23214025      -0.67879509       0.56035114
K        3.88016015       0.85113789       0.93881638      -0.19347932      -0.58968327       1.06709970
K        8.56833664       9.60107945      10.76017863      -2.36983625      -0.44543251       2.97043540
K        6.76220806       8.13298567       4.17289910      -1.22240100       0.07823862       0.44381350
K        4.81082121       4.57133981       5.60329217      -0.01233234       0.75820813      -1.04009437
K        5.95877400       4.34644150       0.69770139       0.09474761      -0.30647759       1.54204739
K        7.56512662       1.12128850       3.79552544      -0.27882377      -0.37052891       0.45324357
Li      10.65879569       0.60487356       9.43970300      -0.48719478       0.35079998       0.13201943
Li      10.16496337      11.25119284       6.66360885      -1.25812126      -0.30117893      -0.07420872
Li       0.29895368       3.13490958       7.25466570      -0.03352959      -0.21066082       0.07306256
Li      11.08603602       2.49412355       1.17837912      -0.51135391       0.35412772      -0.30262134
Li      11.04450910       7.01844916      10.91085545       0.58984915       0.11952614       0.87975024
Li       3.41896512       6.69720842       8.77074740       0.02257416       0.14265736      -0.05251813
Li       0.47800168      11.18762516       2.59332991       0.22563487       0.58515230       0.09596014
Li       4.10851807       2.35253110       8.35080435       0.62975273      -0.41519750       0.02321970
Li       4.90237517      11.06947107       7.54640801      -0.57013506      -0.88770422      -0.57921898
Li       0.64281369       9.28037713      10.48361512       0.88689870       0.53651428       0.15944368
Li       8.41603311       6.36124711       0.85389642       0.54709713      -0.39429017      -0.08174106
Li       6.60382156       1.19419945       8.09539952       0.49261133      -0.19441336       0.26595252
Li       0.02624982       5.43479028       8.98007741      -1.13069616      -1.34220494      -0.28525801
Li       3.88719395       9.52114157       4.78797855      -0.12296911       0.85742980       0.29793428
66
Lattice="11.8233 0.0 0.0 0.0 11.8233 0.0 0.0 0.0 11.8233" Properties=species:S:1:pos:R:3:forces:R:3 energy=-570.36992637 stress="-0.02046745913295504 0.002217034841156509 0.002683650450381107 0.002217034841156509 -0.02138466206234633 -0.0007385350557725478 0.002683650450381107 -0.0007385350557725478 -0.037365078951225705" free_energy=-570.36992637 pbc="T T T" config_type=melt 
Cl       8.52068579      10.09777213       9.09532181       0.79112815       0.20093106      -0.67022952
Cl       3.54856250       8.22045673       9.54505650      -0.25970549      -0.02535468       0.98954305
Cl       0.19805565       7.89889844       0.07164920       0.41808981       0.92685480      -0.83692921
Cl      11.67501217       4.99904494       1.32948279      -0.55576440      -0.10732268       0.34619400
Cl       4.32389904       0.47218595       2.43309326       0.26107695       0.12933833      -0.39980389
Cl       5.88865368       2.95158044       4.57065131      -0.18356341      -0.26872476       3.68156379
Cl       8.36861450       4.25939112       1.84277954       1.52935597       0.15879933      -0.65539266
Cl      10.02148820       0.88412036      10.70405913       0.71096854       0.82960461      -0.07209163
Cl       8.06477934       1.52450813       7.88323257      -0.56778538       0.21097313      -0.25816540
Cl       5.26218431       3.54764028      10.93331292       0.49851316      -0.38716655       0.39718822
Cl      11.24939702       0.31703115       7.00847389       1.45610268       0.80926992      -2.17937399
Cl       4.89353381       7.75700702       2.39569616      -0.21286760      -1.52617523      -0.18381803
Cl       9.66105490       2.68658481       4.96188431       0.20080536       0.00115963       0.03622474
Cl       8.82389432       0.98623348       2.23493475      -0.67766619      -0.13943386      -0.11272049
Cl       5.04517946       6.24438131       7.47344881       0.10438519      -0.89452468       0.53815744
Cl       6.87005852       9.49905204       0.03204114      -0.19233777       0.68378386      -0.81903699
Cl       5.18818227      10.56644774       7.87122010       0.12149676       0.07083973      -0.11623321
Cl       3.90360437      10.00902644       4.79942035      -0.34377202      -0.41683696      -0.14493754
Cl       1.11144932       9.84257802       8.49588050      -1.34099316       0.79582369      -0.75395231
Cl       8.51833295       6.29970253       5.34279557      -0.34888744      -0.07084486       0.67916099
Cl       1.26152246       1.79409119       4.34579579       1.73439956      -0.27831585       1.55069076
Cl       2.41372669       2.09941609       7.98510212      -0.04643084      -0.83006136       0.06444738
Cl       8.42840493       9.60456317       5.34511293      -0.23717929       0.88100802       0.39911335
Cl       1.81416715       2.67981006       0.13667735      -0.19093762      -0.43582504      -0.67152380
Cl       8.87854161       7.82087648       2.51404740       0.38193517       0.79299863       0.13253834
Cl       0.26140962       8.83823598       4.96024087      -0.30794228      -0.11131247      -0.11486913
Cl       3.46319827       5.43163584       4.96725209      -0.66578317      -0.18857340      -0.73364356
Cl       8.45149584       6.79974536      10.86886411       1.74952723      -0.55541203       0.74067266
Cl       0.50373879       4.86340805       9.65342887      -0.20950028      -0.20186376       0.12619908
Cl       0.75131751      10.79715579       1.43047742       0.07624434       0.25997913       0.70644313
Cl       8.63168293       5.16802355       8.16541927      -0.80809443      -0.53047806       1.19395156
Cl      11.81100069       4.84508193       6.40759014       0.98370069      -0.03269233       0.11257742
Cl       3.79679268       0.18101472      10.55973211       1.41918993      -0.29746760      -0.11975266
K        8.28391238       3.96442343      10.95387363      -0.08528486      -0.12869301      -0.84790688
K        9.69650115      10.49956333       0.93253914      -0.02797587      -1.33906267      -1.07298532
K       10.47014696      11.06392491       3.79467631       0.41280428      -0.07574741       0.59606558
K       10.11684311       7.83395305       7.58044968      -0.39597536      -0.38462675      -0.07378319
K       10.85587030       6.12119435       4.03888657       0.37883278      -0.04150126      -0.56642402
K       11.71404088       2.01748062       2.29746819      -1.72060476       0.18163285      -1.85935598
K        2.33653237       4.18398211       2.31416269       0.77680596       0.23181124       1.56116498
K        6.77146402       9.81389470       2.63470417      -0.04731887       0.77003490       1.49860317
K        1.22303762       0.10071051      10.76724284      -1.48318242       0.12292000      -0.26970201
K        2.41506273       8.03921737       6.65937914       1.13418207      -0.85642781      -0.25402456
K        3.51538632       5.87421743      11.21042742      -0.16679193      -0.35042473      -0.34345405
K        3.99343781       9.70218816       0.67427098      -0.00702745       0.92217189      -0.79496268
K        2.00958265       8.15750948       2.28303194      -0.39243449       0.14309861       1.14842921
K        6.29946606       2.59839482       2.22331245      -0.13767696      -1.10814097      -2.80067628
K        6.71598910       5.39803402       3.47361460      -1.08343123       1.26685959       0.63321119
K        6.55334778       7.70491356       9.39989002      -0.96778990       0.98973952      -0.81379667
K        5.92048201       7.81595799       5.26421792      -0.15954271       0.20617846       0.25660936
K        7.14341322       0.83116380      11.38078935      -0.63186859      -0.72201536      -0.53883315
K        4.42222161       0.77215016       5.95319708      -0.47104736       0.20736538      -0.43908808
Li      10.12628993       0.24423746       8.46214863      -3.13064905      -0.47244494       3.06273529
Li       2.74699005      11.26035603       8.37495179       1.51456625       0.65302779       0.02815959
Li       3.68820750       1.46905685       0.56657254      -0.10283630       0.01185572      -0.40984632
Li      11.28757209       2.81633371      10.58827355       0.90693189       0.57877916      -0.07141295
Li      11.36671962       6.01610886      11.21270932      -0.37033551      -0.23635724      -0.23703906
Li       9.84960106       4.13685444       6.85410889      -0.02151746      -0.22901076      -0.85455149
Li      11.81651343      10.29027910       6.57465337       0.55677205      -1.20009485      -0.38698553
Li       6.92563985       3.60614197       7.94016176      -0.13695190       0.56262729      -0.14274470
Li       7.34748338      10.68736463       7.08977091       0.10602811      -0.17846516       0.57779437
Li      11.67438554       2.06471470       5.95765446       0.30474960       1.37964710      -0.34632696
Li       8.94945776       6.35664354       1.04265072       0.13885041      -0.32825092       0.23582119
Li       7.73752222       1.82098920       5.52591484       0.01003930       0.22015484      -0.10345166
Li       2.81461933       3.93363556       6.90912270      -0.12969517       0.91365970      -0.56209790
Li       1.39334044       8.44973416       9.93037785       0.14166673      -1.16327793       1.33866361
66
Lattice="11.812 0.0 0.0 0.0 11.812 0.0 0.0 0.0 11.812" Properties=species:S:1:pos:R:3:forces:R:3 energy=-570.34069488 stress="-0.029352448899496515 -0.002144786052541555 0.006861015144829157 -0.002144786052541555 -0.032304910787024264 -0.005860658580395133 0.006861015144829157 -0.005860658580395133 -0.03985845813185892" free_energy=-570.34069488 pbc="T T T" config_type=melt 
Cl       1.55621919       2.41190409       1.11120327       0.51197815       0.25816311      -0.22875404
Cl       6.14750815       2.95366147       4.79118344       0.02923738       0.71219340       1.77696452
Cl       7.78169835       1.20432790       7.66575176      -0.47815606       0.99223187       0.13905542
Cl       5.75498358       3.07373045      11.06766682       0.31637914      -0.39035966      -0.00368794
Cl       9.43951255      10.97954930       9.71314934       0.16756530      -0.31358623      -0.43785556
Cl       4.92332428       5.44417442       8.34914683       1.06432355      -0.36749948      -2.37148424
Cl       6.47792523       9.84210095      11.59806578       0.86764146      -0.87576544       0.65514458
Cl       5.53494964      10.51590468       8.00155511      -0.77356991       0.25978826       0.68567098
Cl       9.39674130       3.45754958       4.55534505       1.66091022      -2.36541845      -1.24251403
Cl       4.27196336       0.77150196       2.98034478      -0.69955996      -0.10713098      -1.45285451
Cl      11.03649495       1.11171709       6.99914154       1.11318987      -1.24597737      -1.89344860
Cl       8.80082590       4.40109214       1.82252073      -0.60306459       0.61930349      -0.73324635
Cl      11.79391583       5.73152495       1.30209582       0.19519435      -0.29408466      -0.27700335
Cl       7.91705206       7.79825878       2.57670512       1.03182322      -0.56685659      -0.67320862
Cl       7.78689563       6.04381060       5.32825146      -0.48253105       0.69793168       0.36488519
Cl       8.72897350       5.13056582       8.37135339       0.51166437      -0.07105059      -1.16004310
Cl       9.52294071       7.41488850      10.83500586      -0.58011883      -0.50209906      -0.28344275
Cl       8.99715315      11.26576587       2.17960930      -0.67336382       2.10329702       0.93147444
Cl       8.46101828      10.61520816       5.48121686       0.24640799       0.23186585       0.44593970
Cl      11.01443014       2.48567003      10.23890146       0.26865347       0.39730403       0.33462413
Cl       0.80588433       9.48442178       8.46021507       0.13274231      -0.93843399      -0.63296095
Cl       4.63711952       5.93716006       0.83444575      -1.33826169       0.65154555      -0.97979232
Cl       3.54211169       0.03573425      10.90604322       1.01373737       0.12995211       1.15894025
Cl       3.73813183      10.01384743       4.56142823      -0.70069668      -0.74347138       0.28939092
Cl       0.70631980       4.32021538       5.94003037       0.07831742       0.37584577       1.01847418
Cl       3.42255062       7.75579464       9.53803644       1.33985363       0.93336657      -0.29431995
Cl       4.55885321       6.90464554       4.48791034      -0.88644898      -0.52052956       0.48226077
Cl       0.42311765      10.99686569       1.13001152       0.55287587       0.91108755       1.08731648
Cl       0.92219237       5.78622632       9.38608688      -0.17610231      -0.97264541      -1.14182159
Cl       1.21011578       8.36897918       0.10458404      -0.38788660      -0.26226046       0.60227325
Cl      11.38795747       8.10770955       5.04838974       1.50953583       2.00729465       1.50109631
Cl       0.72132813       1.51250298       4.00012199      -0.38554108      -0.13955313       1.05799240
Cl       2.35497025       1.03613801       7.39535146       1.17978632       0.18648322       0.73091809
K       10.19051951       8.21791551       7.94049888      -0.73119823      -0.54709827      -0.27338860
K        8.12234462       4.83963626      10.92611181      -0.53525756      -0.83403878      -0.05471313
K        5.95806730       7.34778453      10.39705233       0.82459167      -0.32166925      -0.28301703
K       10.62474044       6.14172027       3.80649968      -1.71667571      -2.41295355      -0.41070794
K        2.10733167       4.00109057       3.64828976       0.80008870       0.05318566      -1.12789606
K       11.19334650      10.71751189       3.94455834      -0.40938407       0.13574009       0.22407756
K       10.27933394       2.05800476       1.96036677       0.40834766      -0.52412801      -0.05266516
K        2.54117462       7.60461285       6.64429725       0.08323516      -0.18190104       0.20729260
K        9.94825539       9.59565538       0.56520420       0.21073713      -0.74651888      -1.06696178
K        6.31744740       8.89508566       6.03600287      -0.19923226      -1.73324744      -0.78080065
K        1.07491444      11.54904126      10.11121374      -1.52539804       0.99726505       0.86327259
K        5.84460122       2.88048613       2.22470752       0.05489529      -0.67535525      -2.18049073
K        4.81652018       0.60240728       5.55774680       0.22329252       0.02212127       1.27306108
K        1.96922577       8.06320194       2.92422597       0.06912709      -0.13536735       0.08097663
K        6.74151001      10.10243743       3.10830418      -1.21759420       0.78556786      -0.12343209
K        6.18560185       5.50811278       2.78564758       1.70735439       0.28340445       1.51644306
K        6.85228294       0.33411896      10.47950009      -0.02991207       1.60314167       0.04029328
K        4.07743153       9.28556676       0.76051680      -1.01463311       0.02640750       0.05526352
K        3.42817314       4.65423511      10.30144600      -0.51581433      -0.56840229       1.36514228
Li       5.67377608       5.00104724       6.05485482       0.28665834       0.34371390       0.27173974
Li       0.20570598       3.74277394       0.17836120      -0.16598722       0.17764951      -0.55060349
Li       1.52277942       7.88337605       9.99263308      -0.59311306       0.15942646      -0.80206346
Li       0.94743580       2.07823872       6.16009974      -0.50581130       0.07619098      -1.22116032
Li       4.12472678       0.12872481       8.97686014       0.05399444       0.10497764      -0.90296853
Li       8.54742306       4.10991453       6.12925861      -1.11722076       1.24289599       2.49198853
Li       1.26067114       3.55460878       7.98126209      -0.46716257       0.51730610       0.63556915
Li      11.50935294       6.56197942      10.83609256      -0.26414936       0.14121937       1.34305102
Li       9.93633708       1.57130311       8.50070660      -1.69043261       0.33938907       2.05327902
Li       8.51486919       1.28084603       5.55133289       0.29165805       0.08800155      -0.23345553
Li       1.70966888       0.42566314       2.51892081       1.13491998       0.09440373      -1.07280822
Li       7.65228608      10.83577364       8.10778042       1.13304676       0.29445128      -0.24269008
Li       9.18551912       6.59853756       1.18376320       0.11918633      -0.17185184       0.10000229
Li       1.02241601      11.06039063       7.10159883      -0.32867275       0.57514110      -0.59761326
66
Lattice="11.7151 0.0 0.0 0.0 11.7151 0.0 0.0 0.0 11.7151" Properties=species:S:1:pos:R:3:forces:R:3 energy=-573.5035422 stress="-0.03261400070480919 0.0017039629118023392 -0.004772058604988477 0.0017039629118023392 -0.026507069806569982 -0.00048019446795812345 -0.004772058604988477 -0.00048019446795812345 -0.023834100519412597" free_energy=-573.5035422 pbc="T T T" config_type=melt 
Cl       1.86099050       3.60980891      11.46801800       1.78012448      -0.44768808       1.92020578
Cl       6.61332625       2.35642207       9.92803179       0.01082600      -0.78569751       0.60290842
Cl       4.52066965       5.33629834       0.29015022       1.58608782      -0.20097221       1.20334737
Cl       7.81917320      10.98150044       9.66718337       0.76410419      -0.27670268      -0.40913857
Cl       7.07874374      10.79446887       1.87257673      -0.75791150       0.06289606      -1.06754478
Cl       4.91660488       8.43443854       3.95897746      -0.18358019      -0.00135009      -0.03482846
Cl       4.35999705      11.36378758       7.55007736       0.46519295      -0.87239558       0.20813282
Cl       7.76044541       9.66800343       6.55676574      -0.62801838      -1.15203332      -0.31795293
Cl       7.31809495       7.77267597      10.43801352      -0.89138082       1.02787661       0.97013251
Cl       4.57662097       3.96123848       8.24623546      -1.07544789       0.29660011       0.53639737
Cl       8.43388793       1.46751543       3.99948828       0.70713191      -0.72323367      -1.50476280
Cl      10.21368107       0.21574177       7.22057845       0.32349103       0.08707842      -0.59636054
Cl      10.03862233       1.11342536      10.71815671       0.16158170       0.52783590       0.88691780
Cl       8.87115404       4.62694904       1.31962401       0.20154720       0.23267882      -0.45917623
Cl       9.43001117       7.45074502       3.01810264      -0.15426967       0.61808182      -1.09766072
Cl      10.93702992       7.01312746       5.66971009       0.26270689       0.46097300       1.25503448
Cl       8.10500993       5.10726814       6.93248072      -1.74891365       0.17659040       0.52719224
Cl       9.94102383       6.61459148       9.57521983       0.46605508      -0.53742745       0.19858973
Cl      11.67925179      10.81187751       2.83976367      -0.74279605       0.53977474      -0.08625035
Cl      10.43670143       3.44464943       7.02588521       1.16700239      -0.16150960      -0.28488923
Cl       6.75147071       1.49774039       6.75950726       0.25751902       0.42370736      -0.07323053
Cl       5.93044135       4.32827256       3.39488368       0.75545591       0.36848717      -0.46564933
Cl       3.68696456       7.70087412       9.57558300      -0.42212609       0.06924580       0.70473154
Cl       0.57101272       7.48603091       0.57584285       0.41695459      -0.01796050      -0.50182666
Cl       3.58908490       1.06230301       3.19216559       0.49708267       1.27762157      -0.19648660
Cl      11.63604522       4.55488946       3.12537781       1.07794677       0.83793262      -0.25242294
Cl       2.49065369       5.89622155       5.06674560       0.36901975      -0.70008912       0.58435498
Cl       0.75586528       1.83989160       4.42877640       1.34770683       2.31805104       0.66795612
Cl       1.28622426      10.35607811       8.51551875      -0.54668264      -1.06447587       0.65721272
Cl       1.06557387       5.80038031       8.64053058       1.26599961      -0.09703676      -0.61850432
Cl       2.65712526      10.89551160       0.70270684       0.80260125      -0.72935415       0.02463089
Cl       1.67903156       1.96338047       8.47573427       0.62966445       0.63843450      -1.36089821
Cl       2.33613152      10.13205025       5.20510094      -0.77284795       1.05758605      -0.17353142
K        3.55514625       7.99694985       0.85456968      -0.17502796       0.55291074       0.21586220
K        7.66028130       2.20703112       1.03473152      -0.23554150      -0.79639005       0.03369331
K        4.45101166       2.10421940       0.38713251      -0.18150963      -0.09635035      -0.02177248
K        4.94283499       3.40184245       5.71422747      -0.22256430      -0.14256050      -0.99896833
K        3.42686591       8.19441957       6.74323499       0.34011239      -0.37049692       0.39676224
K       11.55783650       3.62292982      10.06211111      -2.75662778       0.43664719      -1.34003788
K        9.35840848       4.99467431       4.57301272      -0.38184457      -0.66739076      -1.26167098
K        0.83808302       8.26782639       3.45095215      -0.10810403      -0.86691503       0.37129618
K       10.79326221       2.09359381       2.12991062      -0.16721643      -0.48834872      -0.49193272
K        8.61414818      10.16263838       3.98240766       1.19899649       0.12643899      -0.10643328
K        5.38961376      10.20142707      10.33369055      -0.82687216      -0.48769222       0.24480393
K        1.04344638       0.59368612      10.74992806      -0.03267737      -0.23540531       0.27099140
K        5.54120715      11.44600415       4.60207788       0.35631535      -0.62641425       0.13172425
K        3.05887119       4.13670725       2.76257288      -0.45765185      -0.09539364      -0.21577679
K       10.13507275       9.12544200       8.25868861      -0.28365018       0.12253539      -0.81301841
K        6.74971344       5.19003532       9.75846743       0.30611413       0.10976527      -0.16667549
K        7.36732180       7.12039092       5.01135661      -0.57176459       0.15850670       0.53226661
K        6.45431719       7.51588098       1.78085921       0.95507807      -0.45884824      -0.67767811
K        9.87584102       8.95688514      11.30773083      -0.73268317       0.43453351       0.80110492
Li       0.01804125       0.25363191       5.13141296      -1.35758233      -3.32066821       0.11374623
Li       7.79165443      11.50687581       7.49520383       0.04656899      -0.57186029      -0.11913204
Li      10.74026310       5.61196636       7.71220263      -0.59817622       0.43401909       0.00727003
Li       1.11313483       8.40523280       9.91786308       0.82034848      -0.54846523      -0.20217146
Li      10.69129398       5.96336078       1.42760209      -0.19901457      -0.01773698       0.28864756
Li       8.71003627       1.09262989       8.93146337       0.32187226       1.07466922       0.57219622
Li       0.24472844       1.82427537       6.75445806      -0.62392738       0.64831870       0.32423219
Li       8.01070337       2.72032823       5.45855712      -0.01268005       1.16970109       1.56305206
Li       2.59825688       4.30720881       7.18920542      -0.43286110       0.57786805       0.80058386
Li       2.93416395       5.56669921      10.80824582      -1.24152577       0.05701532      -1.60674600
Li       2.35992489      10.99466821       3.11602916      -0.35065052       0.15754719      -0.32686593
Li       5.03925026       1.51705859       8.19878930       0.43846128       1.10379532       0.82980362
Li       2.35420792       0.17565621       7.25555974      -0.35975295      -0.48215954      -0.20382528
Li       0.38653152       5.14022271       5.44438185       0.13421133      -0.14470093      -0.39196184
66
Lattice="11.7956 0.0 0.0 0.0 11.7956 0.0 0.0 0.0 11.7956" Properties=species:S:1:pos:R:3:forces:R:3 energy=-573.96836423 stress="-0.028025567092334395 0.001928547739298032 0.00036294401157198564 0.001928547739298032 -0.02758075640745238 -0.0010182500785621252 0.00036294401157198564 -0.0010182500785621252 -0.019881775003117063" free_energy=-573.96836423 pbc="T T T" config_type=melt 
Cl       2.00553509       1.97959657       0.66064325       0.04404228      -0.14874805       0.88385775
Cl       6.21687098       2.48988602      10.10317911       0.09757949      -0.70343739       0.49544401
Cl       4.42843390       5.63379088       1.15678034       0.41121375      -0.28900903      -0.45269480
Cl       7.92750428       6.99035565       5.90433476      -0.86161144      -0.34746608      -0.58022105
Cl       4.58123411       4.91410594       8.22123831       3.62883849       0.45005967      -0.41716915
Cl       7.28651958      10.95479784       4.93268401       0.31974291      -0.50048267       0.44271923
Cl       5.81210497      10.55177757       8.06123100      -0.03133873       0.72912546       0.73541691
Cl       5.95542151       9.10267632      11.24088832       0.58416315       0.71894024       1.60503817
Cl       8.05601734       0.01431774       1.63293568      -0.28154992       0.57667425       0.89993230
Cl      10.33072803       3.23724344       4.67274437      -0.05056162      -0.38684191      -0.19118708
Cl       0.15865082       0.89984858       7.36405206      -1.08600405       0.24204779       0.91133649
Cl       8.31145106       2.04910804       7.36836925      -0.35722204       0.29816513       0.23708254
Cl      10.83882350       2.79743270      10.08125109      -0.28786995       0.15347508       0.39130976
Cl       8.45191306       4.41675626       0.87284373       0.48427015       0.09481952       0.41989362
Cl       0.27814025       5.31896632       1.39816785       0.01908008      -0.38733608       0.71035146
Cl       8.91763874       7.38369173       2.32905302       1.52248589       0.27951561       0.97683238
Cl      10.53862548       5.66224187       7.91397473       0.37462515      -1.00645845      -0.25247857
Cl       9.24895355       6.98280647      10.57743300      -0.71743074       0.55767067      -0.13373455
Cl      11.64841450      11.14867032       1.80735722      -0.06620122       0.27368157      -0.63808712
Cl      11.33138416       8.98021440       5.60581172      -0.12302645      -0.70336935       0.27122034
Cl       4.52927449       0.95480664       3.42640948      -0.04138350       0.10045200      -0.30770662
Cl       6.59977975       3.13448017       4.60765625       0.12457949       0.44692814      -0.25985705
Cl       9.26636386      10.98515971       8.59731742       0.61949304      -0.53287313       0.08287049
Cl       1.84328662       4.68568414       6.58239303      -0.77788874       0.68212154      -1.91087881
Cl      11.72721005       8.17337177      11.66740542       1.56350670       0.72254339      -0.25174876
Cl       3.31549545      10.96070743       0.42078326      -0.03762409      -0.69130535       0.08290287
Cl       3.32777467       2.00702134       8.46830895      -2.02526950       0.10166624       0.95167248
Cl       4.08581891       6.75792336       3.83261456      -1.05410045       0.74936307       1.59691921
Cl       1.19803191       1.20476720       4.57208072       0.74473869       0.52494989      -0.78059655
Cl       1.57099699       9.73325730       8.41161929      -0.83111297       0.78466558       0.29414332
Cl       1.74748275       5.51943254      10.31419060      -0.79116482       0.30901436      -0.56228534
Cl       3.78090265       7.81370033       8.68059436       0.62882546       0.31837247       1.06879448
Cl       2.61885911      10.04685512       4.60529713       0.80159861      -0.09227233       0.10854876
K       10.75834212       2.19532630       2.04107524      -0.10518064       0.30409177      -0.32388575
K        6.33696198       2.71064068       1.23928112      -0.45568900      -0.26342098       0.46031641
K        1.76354836       7.45563310       6.78295362       0.02801456       0.07569587      -0.60145099
K        2.31402542       4.16536843       3.61127012       0.25047908      -0.23573064      -0.25636752
K        8.14141748       4.51851690       9.87803649       0.27387342      -0.85795912      -0.85644522
K        0.49643080      11.38508953      10.48723205       0.20462903       0.39737894       0.11443139
K        9.35946653       9.41149692       0.66655756      -0.33044369       0.92716594      -0.56086345
K        0.61179767       8.83141290       3.09228731       0.24742782      -0.90068609      -0.71079968
K       10.64646085       5.92852754       4.45266207      -0.27902852       0.66464989       0.10243489
K        5.32009869      10.00465046       2.70986217      -0.11076730       0.14480732      -0.34219795
K        6.23321968       6.78980686      10.11853698      -0.43095969      -1.08379894      -0.78564807
K        2.90707280       7.86154328       0.52207326       0.11933508       0.05645931       0.17299311
K        9.58609539       8.25423060       7.69158048      -0.07901975       0.57057564       0.63782629
K        6.38954677       6.86979283       2.50126878       0.34803805      -0.48814835       0.03006588
K        7.64227488      11.55098403      10.70436545      -1.05126396       0.49399392      -0.29754984
K        5.05105285       1.49780529       6.61161073       0.72458479       0.00266721      -0.72268364
K       10.54796759      11.31567242       4.45423088      -0.78862387       1.02495866       0.34575271
K        5.18965115       8.89773956       5.91784072      -0.16018116      -0.62839568       0.12666648
K        3.77533512       3.88931601      11.16925364       0.45639272      -1.53549709      -1.29557446
Li      11.18549618       5.82052702      10.20735785       0.23253897      -0.20857009      -0.36058246
Li       2.53539345       0.27614089       2.58704638      -0.50222539       0.11106161       0.02118984
Li       1.31667205       2.74114410       6.83201152       0.05215500      -1.69896870       0.03956026
Li       2.72477180       4.50295850       8.38854710      -1.27802355      -0.77335749       1.21008049
Li       0.81330544       3.10969762      11.23840888      -0.14142260       1.06142516      -0.33958442
Li       9.86361047       1.29886070       8.87338165       0.19501727      -0.17029970      -0.81717970
Li       7.53146701      11.73197265       7.15633154       0.31059000      -0.38639035       0.05581790
Li      10.04956811       3.19388282       6.78452243       0.36583710       0.36269045       0.24593753
Li       4.53228237      10.42148337      10.32829813      -0.48746986       0.22530572      -0.83182028
Li       1.62690813      11.23870613       6.41252460      -0.05548448      -0.06513868      -0.03392063
Li       6.71144869       0.85595361       3.78688302       0.29841975       0.79068635      -0.24434175
Li       1.55662995       8.05411825       9.99009469       0.17454011      -0.14876879      -0.83664647
Li      10.32938333       6.63267768       0.81590873      -0.31321521      -0.75253485       0.10419546
Li       6.69159670       5.13384617       5.76728169      -0.26029715      -0.34060003       0.12263247
66
Lattice="11.6568 0.0 0.0 0.0 11.6568 0.0 0.0 0.0 11.6568" Properties=species:S:1:pos:R:3:forces:R:3 energy=-572.88170165 stress="-0.03221503217555876 -0.0028477426088777944 0.001993699239229343 -0.0028477426088777944 -0.02739558906937709 1.6092358149082288e-06 0.001993699239229343 1.6092358149082288e-06 -0.03237327228885751" free_energy=-572.88170165 pbc="T T T" config_type=melt 
Cl       1.49459993       1.56152161       3.86447399       1.96997591       0.20482024       2.40565958
Cl       4.85122211       2.59153978       2.52303276      -0.20375079      -0.05697569      -0.47829073
Cl       9.79532561       1.16550049      11.04818682      -0.03967217      -1.08060455      -0.61557837
Cl       6.69912799       1.84606410       6.66932155       0.64287517       0.05573468      -0.02215484
Cl       4.56874288       0.79197931       8.53143707      -1.10059984      -0.39098655       0.47022666
Cl       6.99997834       3.34011616      10.18190007       0.88166472       0.43898518      -0.55774636
Cl       9.81655264       1.76992188       4.41990886       0.05410663      -0.37345909      -0.34344600
Cl       4.19597007       5.28968099      11.19993620       0.81605586      -0.67629221       1.38803779
Cl       7.09205540       4.16632683       4.05368717       0.62354116      -0.34166553       0.10972183
Cl       3.93609337       4.40564093       8.07496844       0.59951713      -0.66364590      -0.62146096
Cl       6.74406495       6.25920036       6.74889087       0.48578896      -0.15239054       0.32810433
Cl      11.54026697       9.38555412       9.30421297      -0.45853910      -0.88804393       0.32529188
Cl       6.65914517       7.73947408       0.62387194       0.52599076       0.61990027      -0.59626214
Cl       7.01611135      11.57556376       1.44784450      -0.42032212      -1.25878122      -0.05486364
Cl       3.57268098       8.17348005       9.10404240      -0.32170250      -0.14426749       0.15633201
Cl       4.38560289       6.99412663       2.88080327      -0.13161336      -0.54791613       0.54032373
Cl       5.66225563       9.53619494       5.49611126      -0.30731408       0.72232212      -0.07620329
Cl      10.55867116       3.90197392       1.92256768      -0.04177248       0.16180354       0.48498939
Cl       1.84372109      10.39643181       6.62789328       0.95260777      -1.62603198      -0.49034369
Cl       9.36418720       7.10569386       3.15066984       0.89123635       0.32785556       0.78740789
Cl       1.08616197       2.15008510       7.82635221       0.05793059      -0.82232174      -0.72249746
Cl       1.78887584       1.76403520      10.96334862      -0.38366876      -0.21973873       1.41628138
Cl       9.66057300      11.34994640       7.18518158       1.12317999      -0.35463878      -0.53418092
Cl       1.22475666       6.45863655       1.20039395      -0.74966080      -0.90475134       0.53277906
Cl      11.50944639      10.62872852       4.10776307      -1.02395306      -0.95250298       1.03935366
Cl       2.25159252       5.24589805       5.29246696       0.97696799       0.09504493       0.20580761
Cl       7.15447757      10.26106140       8.38262636       0.30403575      -0.85755138       1.21432656
Cl       1.12729066       5.06761895       9.52608850      -0.93647909       1.68860889       1.53791765
Cl       3.15937747      10.49018746       1.50577880       0.55170565       0.78672986       0.18092135
Cl       9.76156752       4.21043616       7.25092593      -0.76369455      -0.31447527       0.36544407
Cl       0.62689804       9.40835482       0.54835569      -1.52650954      -0.36290582      -1.20378358
Cl       0.00990828       7.67539665       6.43717638      -0.51913738       0.08209359      -1.13689825
Cl       9.81790483       7.05991761      10.53001874      -0.67060655      -1.01990641       0.75705418
K       10.33895213       3.85674553      10.86527997       0.38139968       0.53409405      -1.22376120
K       11.31727239       5.15610572       4.99882051      -1.66260577      -0.32926329      -0.95110481
K        8.30092385      10.15237339       4.68887786       0.74404512       0.37680818      -0.54821881
K       11.51419071       0.93917555       2.03567361      -1.37827101       0.29410793      -1.89026394
K        9.23670844       7.85741758       7.91255424      -0.39942944      -0.06504175      -0.63842562
K        7.02980809       4.92507960       1.11849794      -0.63655112       0.68397740       0.31213386
K        8.06641235       2.36274011       1.31614597       0.26739595      -0.10545320       0.73351211
K        4.12757963       7.37664452       6.45869483      -0.42467272      -0.46731413      -0.71743408
K        9.05912875       9.79609496      11.00779600      -0.26801054       1.00357196       0.30604561
K        4.29901618      11.65252195       3.83586821       0.17520308       0.13605828      -0.34936263
K        6.32346430       6.50640612       9.50346265      -0.03657406      -0.17041600       0.65600401
K        6.85395361       6.91624755       3.98435252      -0.49131675       0.57406664       0.17582403
K        4.72258932       2.21507176      11.33573676      -0.04942330      -0.14335805       0.60701078
K        1.97020902       3.70249110       2.23840868       0.42732716       0.90924699      -0.62138660
K        4.53306141       3.36595928       5.28349123      -0.24879258       0.33556371      -0.01593829
K        2.17236125      10.73591280       9.60323320       0.39454090       0.76417883       0.82800353
K        5.37619776      10.11898832      10.74310505       0.27445137       0.30075742       0.55871808
K        2.09645217       8.36135270       3.35608597      -0.49603632      -0.47999441       0.84982595
K        3.40886796       7.88858786       0.43309208       0.62297412      -0.04369091      -0.25376116
Li       2.40838813       0.58995181       6.78046914       0.50023935       2.35937033       0.13979175
Li       3.01643014       2.09459874       9.37545933      -0.30778594       1.08113574      -1.45979510
Li       1.52587512       4.37174296       7.72524112       0.60396003      -0.63743455      -1.91701625
Li       3.23190608       5.78733309       9.49758762      -0.71009505       0.35419924      -0.25766674
Li       0.23909496       7.35949737      11.15206056       0.44018756       0.01952525      -0.31721772
Li       5.87739353      11.40169093       7.15239100      -0.02369804      -0.29084472      -0.62383499
Li      11.61160530      10.18000001       7.43502177      -1.12832227       0.02638586      -0.98831844
Li       9.76797876       7.40289563       1.18719845       0.28941152      -0.21026341      -0.70111781
Li       8.56153493       1.08475966       8.36403376      -0.39190258       0.47849343       0.73370396
Li      11.19366368       0.82966924       5.93705303       0.23083304       0.39731675      -0.51564273
Li       8.26118582       2.75328953       5.36175498      -0.01524735       0.53081423      -0.15357893
Li       7.39205481       4.09930023       7.39028298       0.07729907       0.11179184       0.29290462
Li       0.72652172      10.15701280       2.37423371       0.78719159       0.52009187      -0.01491613
Li       1.19823744       7.80485707       8.06828909       0.59409108      -0.02252713       1.17301332
66
Lattice="11.6384 0.0 0.0 0.0 11.6384 0.0 0.0 0.0 11.6384" Properties=species:S:1:pos:R:3:forces:R:3 energy=-573.69242741 stress="-0.02956724568627534 0.0012068360971554631 -0.0015703193501498886 0.0012068360971554631 -0.0319683166107026 -0.0013053934896114544 -0.0015703193501498886 -0.0013053934896114544 -0.029354313981012004" free_energy=-573.69242741 pbc="T T T" config_type=melt 
Cl       1.92992604       2.63381647       0.02343729      -0.29307046      -1.31390996      -0.40825475
Cl       3.04782928      10.49140076       6.87098548      -0.31510580      -0.46083828      -0.09736883
Cl       9.34779994       3.54845505       7.86808213      -0.53143211       0.90117198      -0.62133797
Cl      10.43778266       1.65302523       4.02922572      -1.11718766      -0.02224224       0.61105712
Cl      10.85451884       3.90027225       1.78076831      -0.22338931       1.86532231       0.18193599
Cl       3.40646657       8.32118832       9.58331460       0.07737977      -0.56812506      -0.31016735
Cl       5.19733701       2.67147834       2.06802730      -0.58975736      -0.52375013       0.17206924
Cl       0.27319631      10.25845819       4.43831548       0.65176070       0.35280845      -0.61655404
Cl       6.74185744       1.45496294       6.73672490      -0.59791502      -0.29750039       0.28654218
Cl       5.13457112       9.31333864       4.53544956       0.31644476       0.97093050       0.41310997
Cl       7.47598443       4.36066407       3.84608386      -0.50235685      -0.46292884      -0.25099080
Cl       6.65079860       8.04040028       0.81564700      -0.81935529       0.54555834       1.41348336
Cl       3.95456538       6.67580952       3.48134804       2.07570322      -2.65983811      -0.10360632
Cl       3.87237500       4.49113054       7.32881686      -0.40259603      -0.39411841       0.40481908
Cl       6.75399629       5.65456319       6.96601302       0.36522866       0.46812094       0.16130761
Cl       6.59829777       9.05152119       8.76191125       0.32321354       0.95675870      -0.50669860
Cl       7.48138465      11.39708941       1.74013865      -0.66434143      -1.06308973      -0.08901849
Cl       9.28667507       1.28777732      10.74148670      -0.24122955      -0.71793677      -1.40676926
Cl       7.29590347       3.83900771      10.77275908       0.49394868      -1.17678263      -2.65729579
Cl       3.51854436       4.97921012      10.86875261       1.40487234       0.59826892       0.41377750
Cl       2.71778753       1.42161892       4.62385485       0.71562693       0.06743738      -0.38241169
Cl       1.12771208       5.34103634       8.65174215       0.02322348       1.49945638       0.64885562
Cl       9.72544275       7.39593552       3.93916778       0.65940692       0.29854500      -0.17037138
Cl       0.62516946       7.55774419       6.31151596       0.49581620       0.09411149       0.17573507
Cl      11.22150087       9.05945858       9.13404909      -0.68951061      -1.12974505      -0.13144347
Cl       0.80180895       4.25935180       4.77655066       1.06738923       0.39737757      -0.29119411
Cl       9.54182371       6.20972651      11.52533294      -0.19947972       0.93091895      -0.42262522
Cl       0.64416915       2.25201876       7.53729552       1.20353537       0.26676423       0.35450174
Cl       3.22134618      10.61297549       1.03139268      -0.10043087      -0.25526454      -0.06402330
Cl      11.21419196      10.12395320       0.92778299       0.04328893      -0.40811792       0.22063189
Cl      10.62477683      11.56529921       7.07527432      -0.83416785      -0.91781868      -0.19645378
Cl       0.96568693       6.91503683       0.70260090       0.51604813      -0.68593711       1.03148207
Cl       3.77348352       0.99719906       8.91826151      -0.07688918      -0.17897053      -0.65712833
K       11.25712602       3.69976589      10.18130724      -0.83870972      -0.18141472       0.90859792
K        5.94157778      11.00841341      10.87678310      -0.52573180      -0.31035087       0.02699611
K        8.15446824       2.27192043       1.55051420       0.37271849       1.69641828       0.47065062
K        9.34611237       7.45096187       7.35153502      -0.08329460       0.13102842      -0.01909046
K        9.83901025       4.71594951       5.14155416       0.00350518       0.29854433       0.02217941
K        8.82741216      10.71418302       4.06994848       0.69028257      -0.41061523       0.69552841
K       11.01568741       1.38542350       1.20232819       1.03665026      -1.13187871       0.11381088
K        6.25449944       4.94097797       1.07040460      -0.68365567       2.04565791       2.19210128
K        6.98122441       7.45871305       3.77582284      -0.26581734      -0.71871693      -0.18144081
K        3.55503075       7.49766677       0.92753625       1.18825438       0.76773560      -0.99639675
K        2.22934716       4.22670609       2.37987822       0.00269360      -0.12458991      -0.46110353
K        3.88166244       7.39690150       6.20103263       0.30542395       0.16847957       0.73123744
K        6.73169711       6.69018294      10.25021820       0.02376270      -1.02133278      -1.64375816
K        1.51036172      10.34500133      10.34319738       0.83844359       1.52975667       0.28824610
K        1.78842637       7.87003738       3.61434004      -2.54067127       1.14443751       0.31975939
K        4.76174661       0.03672625       3.08322165       0.38214113       0.02196112       0.39490445
K        8.58312215       9.66590069      11.24797823       0.99421504       0.14161197      -0.39371139
K        4.84201666       2.24690950      10.92692133       0.24504748       0.73211716       1.17495249
K        4.65243876       3.54286862       4.77774941       0.66821861       0.47948754      -0.02395975
Li       0.74676513       1.20251440       5.27925971      -1.61297589      -0.29312625       0.24755619
Li       2.75300533       1.70096380       6.89142252       0.13091653      -0.40565579       0.30203131
Li       2.86372143       3.56154825       9.20637011      -0.61818449      -0.37824827       0.08304651
Li       5.14291585      11.15575555       7.51723092       0.08293991      -0.17917911      -0.18333419
Li       1.14648831       4.28723741       6.83793243       0.29653657      -0.11107022      -0.22286881
Li       3.22771239       6.10757628       9.04735465       0.37066348      -0.20730508       0.11161629
Li       1.35675812      10.69869231       2.39198216      -0.39798704       0.04860295       0.14705706
Li       6.99382880       3.68578817       8.18405305       0.23897710       0.09972450      -0.00330668
Li       0.88710911       9.97510970       6.91006723      -0.83066689       0.13323221      -0.60052569
Li       9.61171230       1.51521493       8.22747592       0.22391548      -1.06010094       0.65897100
Li       8.38182438       2.26411106       5.60965061       0.64126190       0.27732256      -0.44507981
Li       1.60719321       7.75891394       8.33951880      -1.04198604       0.02151095       0.13059400
Li      10.72337735       6.53657934       1.96933366      -0.54726710      -0.72356986      -0.08771247
Li      11.19451142       7.84058059      11.23544368      -0.98429184       0.54288869      -0.86314336
66
Lattice="11.4028 0.0 0.0 0.0 11.4028 0.0 0.0 0.0 11.4028" Properties=species:S:1:pos:R:3:forces:R:3 energy=-570.97871722 stress="-0.03692126888636223 0.002810246580524813 -0.0037429150020961287 0.002810246580524813 -0.04813244821378935 -0.0041266180857755285 -0.0037429150020961287 -0.0041266180857755285 -0.04555553008478902" free_energy=-570.97871722 pbc="T T T" config_type=melt 
Cl       1.32579215       2.39388103       1.45102911       0.64055052       0.51998639       0.59218099
Cl       3.95701106       0.98035459       8.00788997       0.15450419      -0.68312089      -0.89392528
Cl       4.65585446       2.24448154      10.80205488       0.30893704      -0.54113384       1.48534672
Cl       6.72089014       6.62525486       1.05757321      -0.35851599       1.64643107       0.56090682
Cl      10.50493213      10.16116051       8.46524487       1.19707365       0.26913901      -0.43871126
Cl       3.96511845       5.68976914      10.37906802       0.60767716      -0.54309403       0.93201538
Cl       7.52518664       4.24545629      10.27482362       0.10480454       0.41073578      -0.54855578
Cl       6.93203579      10.57215163       1.97390450       0.03088184      -0.24500093      -0.32714444
Cl       3.97367055       0.20661874       4.82549392       0.50269564      -1.37328679      -0.43312159
Cl       5.05847593       9.79281586       9.93352641       0.72382838       0.16521369      -0.16073308
Cl       8.33242506       2.48504641       2.00847779      -0.28412823       0.53789471      -0.08016563
Cl      10.35798424       0.28534139       0.74876030      -0.04955517      -0.48014082      -1.37215135
Cl      10.82667353       1.41183768       5.69476357       1.08045691       0.72266296       0.10960335
Cl       7.99205148       0.47981842       8.36277931      -0.68317087       0.27523893       0.16774448
Cl      10.18782026       2.77800715       9.85726449       0.60675211       0.02428794       0.00978196
Cl       9.35368263       5.72224432       4.68998304      -1.09683477       0.38887908      -0.20569155
Cl      11.08613284       4.66091731       7.46609733       0.88223791       0.63794643      -0.12568682
Cl       9.41994430       7.11676115       9.56277578      -0.38961015      -1.16444027      -0.25475098
Cl       9.67403289       7.94137743       1.86483672      -2.11693211       1.10074552       0.38420939
Cl       8.09953427      10.29131207       5.63388402      -0.12600321      -0.23887148      -0.55094152
Cl       6.70969259       3.06341923       6.25497173      -2.10741978      -0.76597899      -1.29910435
Cl       4.99972870       3.17343345       3.32552399      -1.12647030       0.41655598       0.56604755
Cl       6.00734853       7.85910623       6.66638476       0.77586111      -0.10987009       0.78541149
Cl       3.34442984       4.01342071       7.18124398      -0.63607071       0.33150566      -0.25156263
Cl       3.10375094       9.10046065       7.44635908       0.51895118      -0.80516207       0.77150123
Cl       3.68254566       7.36043898       3.18144962       0.54901289       1.15102444       1.45604824
Cl       1.19389597       4.87591710       4.28323376       0.17049773      -0.53597812       0.80339067
Cl       0.49781774       8.88824314       5.16949359      -0.09170575       0.80093980       1.20272702
Cl      10.81442578       5.12733744       1.09886959       0.17036840      -1.17686088       0.06384203
Cl       1.77631678       0.16470888      10.09032632       0.28554351      -0.25175418      -0.24190165
Cl       1.35482368       6.88961737       9.09543202      -0.86971033      -0.35434996       0.12949367
Cl       1.29564315      10.94487495       2.74316019       0.56481949      -0.14137862      -0.05135713
Cl       1.10080921       8.36170745       0.49756802       0.72842921      -0.31268304      -0.14802030
K        2.18054604       6.68424154       6.34264786      -0.11911071      -0.45640610      -0.22283788
K        0.33913182       7.18103873       3.29695998       0.01594311      -0.43128827      -0.95151591
K       10.35702641       3.20609107       3.64447171       0.26067134       0.79465329      -0.11346499
K        2.72710505       5.26729540       1.95828266      -0.28077488      -1.50921407      -1.10806515
K        8.50978421       3.92184482       7.58600917       1.35528069       0.59733532       1.48359928
K        9.35218886       7.91340637       6.94447624       0.28473247       0.01066895      -1.16825072
K        1.69616650       3.68272811      10.37502002       0.40525896       0.08628733      -0.93926662
K        9.68076055       0.02611241       3.39806861       0.13301946      -0.91261922      -0.16113736
K        2.38168003       2.46115755       4.36833286       0.80315452      -0.93842985      -0.37031051
K        7.70123447       0.98155644      11.01773885      -0.15697613       0.66498957       0.78387981
K        6.75988772       1.18196864       4.23059844      -0.30180841      -0.28687585       0.07492215
K        9.10564893       9.26834408      10.67267872      -0.87495880       2.84407923       1.90114429
K        5.88898746       5.70027112       5.24581253      -0.28320389      -2.08080531      -0.84300759
K        6.91527367       8.22017589       3.59889472       0.41215381       0.20733840       0.23273750
K        4.29372434       0.04720759       1.39448262      -0.68320255       0.80815765       0.03743483
K        1.61654075      11.09806017       6.60468420      -0.21695906       0.79888221      -0.05390733
K        4.39958794       8.22525014       0.65333369      -0.34541831       0.01436534       0.17059308
K        6.46902509       7.10460576       9.71513999       0.23538057      -0.41936795      -0.75940900
K        6.00259356       4.11313820       1.12050526      -0.39412440      -0.94570184      -0.79483248
Li       9.39619227       0.36158279       6.72802829      -0.63384831      -0.95776158       0.72613354
Li       4.30159227       2.86729107       8.90451494       0.24714993       0.74792424      -1.30286589
Li       0.84520860       3.15897470       6.44795272       0.21343867       0.62917314       0.41907647
Li      10.62068195       6.97521819       0.31722590       0.57242709       0.96445516      -1.14510761
Li      10.30759527       5.34412747       9.53735893       0.79908943      -1.95712166      -0.10270321
Li       5.25882312       9.77643004       6.90562690      -0.69803332       1.22446403      -0.03507158
Li      10.83777986       2.96874179       0.58109353      -0.88674891      -0.74722068       0.12798488
Li       2.57462681       9.34095711       3.46913086      -0.20928559       0.33505673       0.89769876
Li       8.42955411       5.66065780       1.73052314       1.47811163      -0.27680563       0.39112455
Li       1.08499238      10.54135267       0.45000922      -0.64174595       0.52734581       0.76074174
Li      11.09688568       0.78800418       9.81868882      -0.29407751      -0.56241584       0.18613043
Li       3.44811550       7.37496615       9.28479832      -0.29352598       0.91413318      -0.92539661
Li       5.85622722       0.35807757       8.82298492      -0.50234596       0.15354601       0.12463985
Li       1.22516244       9.11036969       9.09953703      -0.06741907       0.48309590       0.04258365
66
Lattice="11.3296 0.0 0.0 0.0 11.3296 0.0 0.0 0.0 11.3296" Properties=species:S:1:pos:R:3:forces:R:3 energy=-572.05351057 stress="-0.03984434430713671 -0.00042742248957425305 0.00737897105507433 -0.00042742248957425305 -0.04067718419050346 -0.0059503023800458145 0.00737897105507433 -0.0059503023800458145 -0.050181201863908766" free_energy=-572.05351057 pbc="T T T" config_type=melt 
Cl       1.65447282       1.85061085       1.23908436      -0.90731497       0.69457664      -0.23480334
Cl       7.36223466       2.56933802       5.86835892      -0.88077800      -0.20457985       0.47364269
Cl       5.11872461       1.39152413      10.29212587       0.59116930       0.47458220      -0.34616051
Cl       6.50174021       6.54663942       1.37456372       0.03598223      -0.15845662       0.22450187
Cl       6.83916969       7.15187798       6.77012711      -1.33296710      -0.30025156      -0.21531892
Cl       7.03821943      10.47151876       1.96048531      -0.63664817       0.63552860       1.33307946
Cl       4.55354751      10.48394733       4.88564075       1.29281654       0.34872492      -0.11370235
Cl       4.67083153       9.20917472      10.63341874       0.24177331      -0.97081008       0.28587116
Cl       6.86511447      10.28888560       8.61090387      -0.55706598       0.38832577      -0.75471811
Cl       4.57848396       3.36495918       2.40054964      -0.06585226      -0.36860244       0.96999946
Cl       8.30645485       2.45434258       1.10729732       0.25224724       0.67359412       0.77686974
Cl      10.39017223       2.44280904       5.66589897      -0.14695499       0.49429654      -1.35169561
Cl      10.57353047       1.93014464       8.64502862       1.06156964       1.71703969       0.87592923
Cl       7.74050735       3.72153568       9.08154678      -0.53486516       0.03645714       0.46016415
Cl      11.14245767       4.87798194       0.37524542       0.11632035      -0.44033750       0.63354757
Cl       8.90299228       6.31796277       4.56628198       0.47939369       0.43525464      -0.91720275
Cl       8.95617343       6.85394349       9.76613786      -0.12947914      -0.71701233       1.11184252
Cl      10.02193757       8.22031591       1.61348232      -0.82622719       0.34972463       1.16629248
Cl       7.98222436      10.27065628       5.38916216       0.05301541       0.23329848       0.19639482
Cl      10.26103745       0.26477049       0.60544023       0.32758308      -1.43390424       0.81704715
Cl       2.00869276      11.00771473      10.10902820       0.78752204      -0.15771594      -0.12923685
Cl      10.05552983      10.48325622       9.00961515       0.27822204      -1.51163940      -0.59412911
Cl       0.10255916       9.48701050       6.02854814       0.36033927      -0.21129820       0.28464169
Cl       3.05443750       4.46175509       6.09373866      -0.02363905      -0.81371050       0.26396160
Cl       2.89277544       8.97672532       7.91048533       1.15218585       0.95869767      -1.01715719
Cl       0.09468928       5.16897139       7.79553521       0.73763188      -0.45467660      -0.66184076
Cl       3.54777360       1.00298456       7.56504583       0.96482122       0.05564059      -0.83920499
Cl       1.60986818      11.15075093       3.96361524      -0.31652801      -0.46718009      -1.34499852
Cl       3.52057123       7.41620888       4.62973907       0.02525738      -0.31413153      -0.19542298
Cl       1.12017795       4.66228901       3.40236952      -0.45493844       0.01592185       0.16982151
Cl       1.93954821       8.78047399       1.07182321      -0.39788470      -0.28640334       0.42906660
Cl       3.16542226       5.25598271      10.37505854       0.81159434       0.22479280       0.57385881
Cl       0.37564308       7.44439692       9.59157138       2.62786258       1.53141582      -1.80146032
K        9.86293796       0.06869136       3.49301765       0.27547794      -0.26097363       0.10731711
K        8.40958820       1.06988245      10.10422445      -1.55220055      -0.20163070      -0.28228927
K        3.07310868       6.37168773       7.90906913      -0.29112225      -0.45735807      -0.35626080
K        0.31610717       7.47457897       4.00945480       0.22259165       0.03405889      -0.32739260
K        9.07618788       3.80511414       3.39149310       0.72318320       0.11396074       0.21268257
K        8.88370930       4.87371068       6.83960021      -0.31144849      -0.45438305       0.44778393
K        0.93674152       0.82664614       6.50700848       0.41212418      -0.44127641       0.66636110
K        7.58543911       9.01891675       0.02888459       0.95638336      -0.90627936      -1.84549226
K        3.01608680       2.15942176       4.60311451       0.16215613      -0.23153221      -0.62070548
K        3.20549506       6.16930709       1.76602406      -0.25911048      -0.79882267       0.17992003
K        2.25185997       2.87609827       9.18857751      -0.27829967       0.14717062       0.31975637
K        6.06167589       3.78932068       0.21754531      -0.15269931       0.78682498      -1.00817689
K        3.87676253       0.37117809       1.02948110       0.23975577      -0.59888128       1.04335042
K        6.58242962       7.91370294       4.18456510       0.18770573       0.64093617      -1.10998443
K        4.54354348       8.85306274       2.10130091       0.23216365       0.23728367       0.68580865
K        6.35402489       6.85620941       9.34548114      -1.53580652      -0.44885490       1.15494929
K        5.57894429       4.69379663       4.85652368       0.14382136       0.47795604       0.01277868
K        6.83068382       1.35703683       3.43357124      -0.80577408       0.01994092       0.23540724
K        9.32302587       8.25576622       7.31758471       0.36730758       0.11078929       0.05406900
Li      10.84714031       2.29792612       0.38104957       0.24842373       1.11448073       0.58379272
Li       2.51210088       8.22365814      10.01003016      -0.23647967       0.18129281       0.96142911
Li       2.82350626       9.41732213       5.58754346      -0.70389082      -0.06234544      -0.15721768
Li      10.27890423       4.61133980       9.78963545      -0.57689033       0.11678803      -1.19147949
Li       5.88471887       1.39829923       8.26173692      -0.00219689       0.21485500      -0.71328092
Li      10.90778766       7.34384672       0.02201251       0.57532329      -0.05039932       0.14071919
Li       0.79751774       4.59573894       5.61783881      -0.03520827      -0.30834841       0.24536885
Li       0.17940308       0.48637973      10.14503367      -1.14790806       0.07270735      -0.38181288
Li       9.43678639       6.11025721       0.95558378      -1.26083369       0.01040519       0.23253899
Li       8.86176387       0.60263049       6.82793072       0.06355242       0.09188045       0.01844256
Li       5.79522636       9.31960433       6.64696302       0.22796723       0.54274822       0.05734214
Li       4.31731402      10.74630687       9.12700113      -0.23679191       0.21282985      -0.18830466
Li       0.88775233      10.80093820       1.42422136       0.38176218       0.13895000       0.11202780
Li       0.96970953       9.85135911       8.39989007      -1.01920264      -0.50193538       0.18107140
66
Lattice="11.301 0.0 0.0 0.0 11.301 0.0 0.0 0.0 11.301" Properties=species:S:1:pos:R:3:forces:R:3 energy=-571.62072916 stress="-0.043342308350078254 -0.005931150384191151 0.002539128475092027 -0.005931150384191151 -0.04911317510719228 0.001887429775682319 0.002539128475092027 0.001887429775682319 -0.054484329784073714" free_energy=-571.62072916 pbc="T T T" config_type=melt 
Cl       1.76480936       2.15690886       0.81354995       0.18537246       0.19894309       0.24619861
Cl       5.01365475       1.34893256      10.64676251       0.59362886       0.78017145      -1.31140631
Cl       6.47303198       6.21646538       1.53597542      -0.18331670       0.87614410       0.52493962
Cl      10.16821036      10.70542600       8.64554752      -0.27257245      -0.69279211      -0.22283543
Cl       6.21012552       7.54035493       7.00465363       0.27565568       0.09412836      -1.13844802
Cl       6.91841570       3.88230034       8.73869037       0.01511192      -0.30689506       0.75398602
Cl       7.39018724      10.32862806       1.87340067      -0.82732245       0.58008329       0.20254072
Cl       4.92135948      10.84118491       4.36865017       1.00491688      -0.76725762       0.00707150
Cl       6.36707381      11.04910071       7.92796793       0.32559937      -0.21334452       1.65493094
Cl       5.04151171       9.13184086      10.68451915      -0.03152535      -0.04526348      -0.20644818
Cl       8.27139402       3.28742700       0.99011451       1.10468950      -0.07041221       0.07988353
Cl      10.17547691       1.75258168       5.14039546      -0.23713215       0.42849474      -0.19659813
Cl      10.33294504       2.43259676       9.53230309       1.47695419      -0.51501843      -0.18829474
Cl       9.72820593       7.46807373       1.63388728      -0.76598938       0.66824285       1.08691375
Cl       8.91781122       6.54707614       4.96354611       0.63024127       0.14433327      -3.15853096
Cl      11.00570487       4.65146900       7.30188123       1.02687830       0.27665587      -0.32261334
Cl       8.45574723       6.52814696       9.72102979       0.21362791      -0.03286122       0.37716978
Cl      11.03852297       5.10791639      10.99496892       0.35108562      -0.28390182      -0.70347706
Cl      10.44464412      11.20306553       1.03284246       0.05299360       0.65888664      -2.27066825
Cl       8.47489112      10.10409979       5.66667173      -0.58424304       0.34363982       0.79773303
Cl       3.85950622       1.39153733       7.41057425      -0.91351418       0.68485313       0.39693174
Cl       6.75090097       2.52659847       5.90898777      -0.16979903       0.29258074      -0.01670084
Cl       5.08913413       3.77800341       2.96603786      -0.14000553      -1.53389818       0.13798694
Cl       1.08653691       8.13830214       9.81998135      -2.25452287      -2.81756839       0.23890861
Cl       3.36860208       5.62076707      10.95908825       0.95804352       1.66140715      -2.26485329
Cl       2.13237439      10.84673370      10.08972492       0.31247604       0.86459152       0.21048243
Cl       1.92320418       8.25029505       1.82858091      -0.59090398      -0.52704256      -1.61183148
Cl       0.86693022       9.24789082       5.85369198      -0.50065369       0.26027535       0.66856692
Cl       3.60803637       7.27971997       4.39365929      -0.05704992       0.02419248       0.90309182
Cl       0.45670731       4.15159187       3.13224167       0.48908474       0.21558443      -0.29970043
Cl       3.65326297       9.58014022       7.37001496      -0.59764371      -1.22013545      -0.28959897
Cl       3.02640780       3.98108238       6.02281145      -0.51209579       0.45628136      -0.39193813
Cl       1.85840425      10.97687602       3.10921023      -0.90379048      -0.84217500      -0.19179586
K        0.75834456       7.10157100       4.09545980      -0.79377383      -0.25929389      -0.17579764
K        8.06254024       1.24812764      10.26096897      -0.79814493      -1.10296648       0.32164436
K        4.25332347       0.30568866       1.53973865      -0.24499543      -0.83103293       0.72048547
K        2.91161224       5.05104976       2.00669597      -1.06261034       0.11923671       2.15628769
K        2.35260828       3.55795033       9.74462628      -0.79700426      -1.46465411      -1.16393902
K        0.63053590       1.06361509       7.12216142       0.65912947      -0.02592531       0.20325055
K        3.10323200       1.58289717       4.25048692       0.28588726       2.27521475       1.08685209
K        9.90263686      10.66688959       3.44514375       0.72328727      -0.52303058       1.16714613
K        9.13456440       7.63127147       7.21051264       0.96296817       1.75063531       1.87513397
K        9.15223916       3.96662840       3.66567147      -0.94444438       0.08035647      -0.19848729
K        8.43487428       4.67314432       6.55220679      -0.60486219      -1.40977182       1.27505232
K        2.19875646       6.07797163       7.70597108       0.04308533       1.04671215       0.15509158
K        8.47015600       9.59497844      10.73775816      -0.14635962      -1.19923880      -0.28135096
K        6.77671246       1.56034037       3.38392624       0.71594740      -0.59704834      -0.52332398
K        7.15643736       8.42205895       4.00020367      -0.44866061      -0.52309802      -0.89948559
K        4.62846016       8.33677030       2.12724373       0.80264783       0.47556372      -0.50200935
K        5.74776771       3.87932817       0.28093495      -0.72788187       0.25288288      -0.50554634
K        5.68377014       6.32798365       9.27942062      -0.62702118       0.64523127       1.09818180
K        5.53845058       5.41270436       5.06445274       0.28546414      -0.13374679       0.62814561
Li       2.84706093       8.49611440      10.69485956       1.22246238       0.20261145       1.03437779
Li       1.38195409       9.39301827       8.34871546       0.26208859       1.36516887      -1.93641047
Li       5.60713806       2.26038082       8.65484825      -0.91881719      -1.23072601      -0.92070503
Li       8.89370618       3.92982104       9.76519410       0.27866646       1.47484901       0.45116815
Li       0.07948050       0.21517104      10.30091800      -0.79328702       0.52677662      -0.30872400
Li      11.01480217       3.31313677       0.68820830      -0.02317808      -1.07938820       0.55668275
Li       1.30342344      11.17142273       0.89786106       0.38122584      -0.18463908       0.87383047
Li      11.27677066       7.00435980       0.39221929       1.27121023       1.11633870      -0.25605025
Li       8.40449719       5.93288939       0.69350508       0.62673235       0.03994328      -0.28483413
Li       5.93792963       9.67155401       6.16000559      -0.15585189       0.34584831       0.72297601
Li       7.77103094       0.82286197       6.92758081       1.19973674       0.01639525      -1.06775782
Li       0.82204378       4.07802235       5.25080623       0.01418969      -0.36051358       0.81504420
Li       4.11828782      10.98848215       8.96642812       0.62241550       0.17466448       0.08794455
Li       3.11478162       9.74707860       5.01955387      -0.74453098      -0.62427889       0.29352985
66
Lattice="11.1833 0.0 0.0 0.0 11.1833 0.0 0.0 0.0 11.1833" Properties=species:S:1:pos:R:3:forces:R:3 energy=-569.17779298 stress="-0.0544771731573628 0.007428066665994382 -0.0014090145872137298 0.007428066665994382 -0.05056409907513738 -0.00632077619191783 -0.0014090145872137298 -0.00632077619191783 -0.06333518298958317" free_energy=-569.17779298 pbc="T T T" config_type=melt 
Cl       1.96004107       2.82102097       0.65705578       0.22230757       0.28958949       1.08164033
Cl       0.72378429       8.48840428       5.46079421       0.26711429       0.01624917       0.33715145
Cl      10.42368553       2.10069344       9.96423083      -0.72338678       1.27392158      -0.67726506
Cl       0.63168870       8.13411734       9.56335426       0.93480885       0.24651231      -0.47406554
Cl       4.95340789       2.51945211       2.72676812       0.28724889       0.44995675       0.43325768
Cl       6.45856823       2.85117115       6.12733007       0.80973645       0.43442125      -1.36493639
Cl       9.62520909       1.96337370       5.11810434      -0.75443117      -0.80448460       0.54630686
Cl       5.32046616      10.16096745       4.01161746       0.07345159      -0.01744607       0.67004866
Cl       5.30033622       2.00267181       9.08000085      -0.34578004      -1.04344390       0.42164420
Cl       5.87244030       5.82540334       2.23008422      -0.19575441      -1.42964562      -1.14973372
Cl       7.25589279      11.00034121       7.71762888      -0.85382010      -0.73386846       1.22226675
Cl       7.08267466       6.57327534       7.27415512      -0.94012153       0.55383204       0.17411252
Cl       4.37808302       4.76452195       8.70607603       1.38436001      -0.28629349      -0.10355156
Cl       6.90156111      10.16047538       1.05574825      -0.60375012      -1.23870968      -0.58304235
Cl       4.33989205       9.93911314      10.26682856       0.43393972      -0.28922149       0.08696804
Cl       9.66376911       0.88140843       1.61390676       0.70874571      -0.28121549      -0.05172256
Cl       7.97123257       3.42394623       0.36621841       1.32943698       0.91643387      -0.05023548
Cl       2.54156149       0.10098520       3.61163555      -1.10960535      -0.60416418      -1.45823139
Cl       0.95470602       9.14683225       1.51911711       1.14376601       0.15854714       0.16451239
Cl      10.57413447      10.81946252       7.66815396      -0.58221765      -0.32387003      -0.94978713
Cl       8.03735943       9.40720184       5.18511468       0.89163713       0.32070571       0.62382916
Cl      10.97577262       3.81358358       3.33452456       1.32006541       0.11372241      -0.46208622
Cl       2.85473862       0.35314737       7.25049126       0.68999271      -1.01104168       2.12885158
Cl       2.85800415       3.98658923       5.87415134      -0.10183116      -0.16517616      -0.56108017
Cl       1.68493189       0.12713846      10.47490504       1.14678851      -1.05604132       0.35528676
Cl      10.78112617       5.49728531       0.71580054       0.46853864      -1.13146992       0.59752714
Cl       9.18153403       7.90851663       1.63932640       0.04208052      -0.67053367       1.21802506
Cl       3.63659668       7.47591303       4.15802922      -1.19947980      -0.97133809       0.76514432
Cl       9.05677314       5.68868749       5.38294726       0.05379957       0.42747759      -1.05932890
Cl      11.01773348       4.45897183       7.70219593       0.54086094       0.19915293       1.00437362
Cl       3.80071160       6.48358527      11.08310882      -0.93666946       0.85667196       0.58732999
Cl       8.54227424       6.87662235       9.98593762      -0.02986029      -0.58720705       0.07529979
Cl       4.36543470       8.78652869       7.22190674      -0.83529609      -0.31637975       0.16035770
K        8.05148393       4.12963482       3.12748813       0.53020355      -0.50424151       0.85774940
K        7.11428984       0.78298980       2.96117009       1.06060822       0.71589988       1.18953145
K        8.51485279       2.79712226       7.92208197       0.04844617       0.48841910      -0.01779806
K       10.26450244       9.93561277       3.44937705       0.12047375       0.22542621       0.69313963
K        5.95263574       7.86704895       9.47184132      -0.04523450      -0.85972593       0.67972350
K        5.43084533       3.75228792       0.27298435      -2.12825062       0.47764234      -1.13701702
K        7.02797714       7.72372378       3.37717767       1.16094593       1.43387767       1.10380074
K        3.98919494       0.45337769       1.19586382       0.70367475       0.29781607       0.06031100
K        1.30982165       1.36469810       5.54812460      -2.53242479       1.48702239      -0.56505475
K        2.22904417       2.73789551       9.13045990       0.22946463       0.25503021      -0.92250498
K        3.14355853       4.69198706       2.61818946      -0.56602953       0.10912757       0.16960154
K        0.73075037       6.60012644       3.10322037      -0.31551197       0.24409347       1.03193720
K        2.37902341       6.22464715       8.09918071      -1.25380291       1.01440527      -0.76338639
K        4.42547784       1.24367243       5.27013012       0.55867936       0.32940723      -0.45564514
K        9.40870041       9.53372970      10.72448275       0.23077951       0.86993709      -0.49139899
K        4.59590015       8.52382179       2.02536273      -0.28004348       0.15512699      -1.98295608
K        9.58787924       7.94953697       7.57699888       0.53638317      -0.13089284      -1.03293159
K        5.47274915       5.71319010       5.18500285       0.11117367      -0.91865586       0.63807368
K        7.53460299       0.93263913      10.49268649       0.37213449      -0.02719836      -0.56661909
Li       2.74223463       9.78230091       8.77184502      -0.81647343       0.05862908      -0.81483399
Li       8.57987249       0.23932262       6.11922218       0.70343983      -0.19279923      -0.32247765
Li       1.48371078       0.65099890       1.38525300      -1.06251691       0.09429829       1.00380034
Li      10.61750330       4.64784658      10.09621614      -0.46772292      -0.38226275      -1.75201369
Li       5.00439255      10.85028369       8.32547478       0.16355240       0.86733052      -0.33298621
Li      10.64152503       4.25425034       5.54601095      -0.04385419      -0.30865444      -0.47181444
Li      10.75433098       2.67430726       0.74352729       0.04869229       0.63650367       1.61105798
Li       0.25910252       7.41903477       0.38656642      -0.34976592       0.36211406      -0.22801107
Li       6.45949645       8.70519255       6.89074686       1.06792040       0.22870375      -0.95479722
Li       7.61984210       5.80918755       0.52823199       0.58482150       0.22161791       0.05321199
Li       0.19022793       0.49627012       9.28036086      -0.40665163      -0.34034042      -0.84195390
Li       2.44907560       9.07022665      11.02476554      -0.63941105      -0.70349078       0.05078982
Li       4.66088631       3.28856120       7.00946877      -0.51613523       0.54396042       1.30289814
Li       2.99945053       9.32835958       5.42271507      -0.34424009      -0.04377063      -0.50029368
66
Lattice="11.1164 0.0 0.0 0.0 11.1164 0.0 0.0 0.0 11.1164" Properties=species:S:1:pos:R:3:forces:R:3 energy=-566.45495493 stress="-0.06901111801568488 -0.006229071271191527 0.0016270396135841558 -0.006229071271191527 -0.0672319579387037 0.0035840646626916503 0.0016270396135841558 0.0035840646626916503 -0.06321306997940686" free_energy=-566.45495493 pbc="T T T" config_type=melt 
Cl       2.61284312       2.64242386       1.16956756      -1.74198052      -0.88511787      -0.05096664
Cl       6.04785519       1.77464433       2.50173470      -0.71105946      -0.88045161       1.00292159
Cl       6.02600034       3.67911709       5.54757272      -0.03817053       0.20153964       0.37630129
Cl       5.72989280       0.56515444       7.72822133       0.30526288      -0.14992033      -1.26286821
Cl       4.15320932       2.13802833       9.67918288       1.65286693      -1.90437272       0.52338394
Cl       6.02822362       4.41538961       8.80764600       0.38887580      -0.75870094       1.10090714
Cl       6.91324469      10.03482986       0.26390334       0.52830490       0.22200777       1.28463827
Cl       4.82353936       9.79818394       4.60332347      -0.04866207       0.49824203       0.08104560
Cl       6.75134544       8.52765723       7.37039553       1.00527446      -0.63649600      -0.20605071
Cl       1.42496685      11.00942688      10.40332741       0.77627314       1.05744791       0.19252080
Cl       4.21423836       9.23404887      10.36866647      -0.47979144       0.72663243      -0.18479529
Cl       8.48453672       3.68003975       0.24734879       1.06491955      -0.03007503      -0.21181238
Cl       9.14734095       2.13232562       5.86968153      -0.49329641      -0.27979140      -0.56466149
Cl      10.02496962       2.20220331       9.30544951       1.10842491       0.40742155      -0.25906726
Cl       8.11469409       5.40948480       4.51873879       2.12235207       0.27840171      -0.88186433
Cl      10.92626509       4.67152259       7.03715921      -0.57660494       0.22076825       0.11751582
Cl       8.54601041       6.67197435       9.31926719       0.92931313      -0.77808251       1.17563254
Cl       9.60408048       7.62592821       1.33256733      -0.75609606       0.03458888      -0.52612575
Cl       9.23954037       8.50570234       4.28091452      -0.47606356       1.15917405       0.79677016
Cl      10.07761689       1.17912766       1.73070120      -0.83279537       0.27962244       0.02040855
Cl       0.88510889       7.59397968       8.89827801      -0.43643999      -0.08184385       1.32336067
Cl       6.47441369       5.88142045       1.92450452      -0.27351987       0.13658768       0.17461036
Cl       9.65755036      10.36684338       8.49615336      -1.06920552      -0.30935578      -2.55922789
Cl       0.07137996       4.93986137       0.17560799      -0.10458188      -0.01197299      -1.10142335
Cl       0.28088030       3.89460851       3.13849321      -0.13499424      -0.04219735       0.90960435
Cl       2.83521559       3.55331279       6.71647330      -0.41421518       0.34505260       0.03742890
Cl       1.95548592       0.03104777       7.48542804       1.06666381       0.50656633       0.54410304
Cl       3.41500255       6.70198863       3.95358101      -1.32315884      -2.23039819       3.13286819
Cl       1.37968975       8.63443026       0.89025245       1.17629071      -0.16473421       1.22011966
Cl       3.74080200       5.79972602      11.09692407      -0.41766770       0.17872518      -0.03494557
Cl       2.15816013       0.10948020       3.54648732       0.92929603       0.54431729      -0.83658266
Cl       0.77474527       9.06605783       5.58247822       0.13043350       0.02420644      -0.25085004
Cl       3.49501839       8.32337115       7.49900116       1.18486381       0.91956996      -0.33868026
K        8.02190550       5.21783806       7.06632864      -0.14955651      -0.93970513       0.56889105
K        0.74439416       1.38982791       5.51806980      -0.83837193       1.31261468      -0.23638496
K       10.96212660      10.02104553       2.88786286      -0.24003173      -1.04030467       0.47773576
K        7.50481504       1.12864809       9.87915580      -0.22140786       0.42359077       0.08067238
K        2.22558109       3.66565513       9.67841585      -2.19121265       1.65644295      -0.64661872
K        8.15062229       3.18341458       2.98886647       1.26597458       0.29150459       0.65108145
K        9.51233683       7.75119893       7.05153271       1.00432877       0.62388645      -0.36592875
K        7.39568534      10.60108816       3.52489928       0.37200845       0.34865498      -0.35986777
K        0.15285161       6.95598725       3.40346372       1.02256221      -1.03651309       0.16988072
K        4.16023489       8.06420340       2.19118695       0.97219135       2.26145432      -3.03445424
K        4.19773050       0.40380323       1.18226249      -0.38650090      -1.25993546      -0.51971368
K        6.00135529       3.43030983       0.45942414      -2.32993478       0.82384234      -1.26514766
K        6.31866181       7.37944428      10.63071337      -0.33061186       0.00787650      -0.42289282
K        1.83236068       6.60573172       6.53218562      -0.46082489      -1.45955692      -1.18491945
K        4.20414467       1.98501108       4.86897208      -0.54155161      -1.42346986      -0.64382392
K        5.07867185       6.14739143       7.12082123      -0.44717044      -0.02184737      -1.21444996
K        6.82472480       7.67381767       4.29267567      -1.95598080      -0.24574839      -0.08339809
K        4.03069548       4.24923278       2.60726269       0.38587771       1.08725414       1.12852953
K       10.02379128      10.06995769      10.95621268      -0.79824074      -1.20580035       1.51614665
Li       5.14144616       9.68020559       6.86426584      -0.26855007       0.44477017      -0.11032499
Li       2.68392138      10.34260963       5.64411866       0.11626876      -1.25976602      -0.72525229
Li       0.97661020       0.67644517       1.28231009       1.40184698       0.55656918       0.32021098
Li       9.51085835       4.42141470       9.27137774       0.49833508       0.35553685       0.50197767
Li       4.72970582       2.85187907       7.57359220       0.83833375       0.05885054       0.27104697
Li       8.45634553       5.80130455       0.83760740       0.48723390       0.30986740      -0.16451544
Li       0.23512742       0.55158021       8.73258807      -0.17687425       0.43450113      -0.23844110
Li       8.31739053       0.46034902       7.00768963      -0.22749300      -0.29611203       0.27956685
Li       3.49073858       0.07674763       9.19204000       0.64200045       0.64281156       0.01773006
Li      11.05898379       3.00953186       0.72537845      -0.29936099      -0.77364494       0.60085352
Li       0.90703154       6.70116602       0.26722380       0.05879018       1.01361276      -0.44960490
Li       2.89566657       7.53673022      10.03029437      -0.02100575      -0.69961595       0.17879552
Li      10.06652272       4.17962189       4.94103970       0.09578445      -0.00936096       0.28705499
Li       2.37764233       9.30145872       8.98935467      -1.31796791       0.42037848      -0.12865441
66
Lattice="10.4796 0.0 0.0 0.0 10.4796 0.0 0.0 0.0 10.4796" Properties=species:S:1:pos:R:3:forces:R:3 energy=-555.06196197 stress="-0.13899248552185592 -0.006734137266721999 -0.009889843113606368 -0.006734137266721999 -0.13237271421056054 0.004418214888484285 -0.009889843113606368 0.004418214888484285 -0.1279946135761264" free_energy=-555.06196197 pbc="T T T" config_type=melt 
Cl       2.27612720       3.12835971       1.56597711       0.32658244      -0.86421724       0.37693721
Cl       2.21293521       9.74642622       6.28313850       0.52266023       0.96571014       0.33442642
Cl       0.44697380       7.96492566       8.70333924      -0.07087417      -1.30862222      -1.66186798
Cl       8.01741798       0.19388622       7.44050552       0.71646203      -0.45316420      -0.40707165
Cl       5.31253890       0.90825645       1.77586254       0.69277453      -0.22927689       0.14531971
Cl       8.97652145       2.24597739       4.50719212      -0.70845602       0.39610126       0.55680542
Cl       6.12652087       3.64890240       4.25890944       0.67908045      -0.18666476      -0.92475343
Cl       9.32753565       3.04821173       8.06479625       0.31170960      -1.22857213      -0.55375465
Cl       5.30319110       0.44677259       6.13309158      -2.26613394       0.33493030       1.04257195
Cl       4.56700968       2.05567834       9.38224965       1.72567837      -0.08917789      -2.07515456
Cl       6.39600379       6.21074542       2.01786794      -1.19926997       0.44069147       0.88071541
Cl       3.27872101       6.11070716       0.99709097       2.64071748      -1.07232721      -1.82686204
Cl       6.94662293       9.29867484      10.08744289       0.15321499       0.88259698      -0.36057946
Cl       3.86657418       8.90955681       8.93653130      -0.05645067       0.35682217      -0.31526088
Cl       6.23281546       8.02035227       7.04801306      -0.72999375      -1.98331886       0.13679243
Cl       8.96941628       1.47421773       1.32626674      -1.74659877       0.89804157      -0.56139997
Cl       5.54524890       8.99644317       3.95123886       0.27657781      -0.61010483      -0.42321182
Cl       3.11845649       7.61820810       4.30421275      -0.53617947      -1.33291214      -0.90288326
Cl       1.65530522       8.48709269       0.65497395       1.68492537       0.73662951       1.53898112
Cl       8.54731895       9.29804606       4.69267056       1.26908282      -0.62117118      -0.56784690
Cl       0.73680286       0.36338327       2.47555399       1.48178951       0.90348518      -0.59613496
Cl       1.08971073       3.12868458       4.70674467       2.21460563      -0.21624374       0.06600776
Cl       9.68063530       7.56387137       1.76692344      -1.51325756       1.30233962       2.78416915
Cl       3.57825942       3.23983122       6.41819958      -0.34907408      -0.62120033       0.40013729
Cl       8.64695899       6.60440111       9.47563336      -1.28023944       1.14611325      -0.13353962
Cl       8.14537390       5.38451280       6.61126525      -1.13364525      -0.57251833      -1.32262347
Cl       1.16587646       1.02155246       9.03544824      -0.27017118       1.04817455      -1.23622337
Cl       2.72470648       6.43723053       7.37042844       1.87366862      -1.29382824       1.10104013
Cl       9.83483213       4.36670261       2.51697985      -1.56162635       0.58444074       0.03129335
Cl       0.48095076       4.68235864      10.07473113       0.61456666       1.91221176       1.46780546
Cl       7.81727858       4.24672167       0.22471092      -0.08790576      -2.32870807       1.34427878
Cl       0.28606374       6.24379808       5.25789827      -0.04099767       1.37805290      -1.86068001
Cl       5.71010349       4.74178845       8.85465418      -0.78482418      -1.22572625      -1.76024587
K        7.35408026       1.80284751       9.35456254      -0.57406952      -0.55276155       2.73620941
K        8.00629912       6.23767799       3.99993756       0.92248191       0.20247713       1.14338118
K       10.39669588       0.61369586       5.93188326       0.25498494       0.43203384       0.92291420
K        7.62096423       9.55471242       2.16990598       0.08865340      -0.40251059      -0.41906007
K        5.15700068       3.57788215       1.37015530       0.25873561       0.84410906      -0.55363275
K        5.80552025       6.84015020      10.07816844      -0.19880737       1.61686285      -0.93963941
K        3.20774268       0.54288310       0.16882216      -1.97044307      -1.52683048       2.50688240
K        3.24371915       0.79384961       3.71762762       0.06879675       0.39669788       0.76399108
K        1.34372575       6.00275680       2.48320410      -0.85781870       0.03204255       1.52278585
K        0.19294725       5.29285821       7.58817356       1.04770161       0.13001761       0.64341872
K        2.91125384       4.10586536       9.35591441       0.41372809       0.23227023      -0.79862071
K        4.46741156       8.52841376       1.31897294       0.26368641       0.64958135       1.04035567
K        6.85244277       1.00305701       4.03462504      -1.05119592      -0.21296491      -0.38728366
K        0.58181901       8.89518928       3.87999854       0.56647376      -2.49769823       1.02274014
K        6.40947007       2.69248171       7.09372508       0.15298437       0.74258430      -1.32188603
K        5.23869964       5.40824909       6.12857488      -0.14883681       1.24513416       0.39591318
K        3.62075420       4.57980527       3.70075546      -0.95152874       0.31216335       0.34657768
K        8.96313900       8.01708263       7.09227889      -0.57110399      -0.02733780      -0.58114362
K       10.03249835       9.95068411       0.09463079      -1.37063014      -0.36921291      -0.81210918
Li       8.38662477       6.10433556       1.18582962      -0.20746127      -1.16833063      -0.48720181
Li      10.43490010       7.15683323       0.02588461       0.75175388      -1.43148735      -0.86617347
Li       1.56193198       9.43516115       8.53759389       2.52470690       2.27903847      -0.48938020
Li       8.16753825       2.94599371       2.67442536      -0.47224697       1.20832118      -0.38079555
Li       9.87745266       3.01646902      10.31568019      -0.56576422      -0.64810702       0.32023960
Li       6.83681768       9.49918102       5.73841937      -0.50527384       0.12334435       0.24710885
Li       9.93607555       3.60404972       5.93378007      -0.77631999       0.39160601      -0.31826329
Li       3.22971840       1.22879598       7.58099504       0.16078185       0.23616123      -0.29187246
Li       7.96694823       4.81459023       8.62041416      -0.37093384      -0.28091911       0.32123245
Li       4.28927932       8.42052627       5.92979782       0.25522050       0.54316255       0.24978288
Li       0.16772809       2.36521428       2.59888840       0.61922716       0.65902478       0.53862630
Li       2.53002695       7.19207612       9.60679603       0.07882233      -0.29095644      -0.38387634
Li       1.80847505       7.70313478       6.16052718      -0.86604957      -0.42164312      -0.92698492
Li       5.79054490       9.78568281       8.12784153       0.18134617       0.50554036       0.51857620
66
Lattice="12.6956 0.0 0.0 0.0 12.6956 0.0 0.0 0.0 12.6956" Properties=species:S:1:pos:R:3:forces:R:3 energy=-569.67427768 stress="-0.011550655920044244 -0.0002063914775106922 0.0033055084010373296 -0.0002063914775106922 -0.009239785082251527 0.00010325022088850593 0.0033055084010373296 0.00010325022088850593 -0.008267154905422522" free_energy=-569.67427768 pbc="T T T" config_type=melt 
Cl       4.23243374       7.32887788       7.07447075       0.11930718      -0.20260387      -0.15102949
Cl       5.28563532       3.78415210       8.38699266       0.62435114      -0.75343267      -0.54877209
Cl       7.00872024       2.83181706      11.86016604       0.15732686      -0.30407077      -0.11022625
Cl       6.12960072       5.93438048       1.34003328      -0.57277514      -0.19973467       1.02191338
Cl       4.54842722       6.83121036      10.75950830       1.24297002       0.00857180      -0.73918214
Cl       7.67549315       8.99459138       2.25663020       0.31498047       0.57284052      -0.41501235
Cl       6.96315573      10.42619802       4.83855977      -0.43383319       0.39182894       1.11928453
Cl       4.85898699      10.72050742       8.32341310       1.39908632      -0.99896438      -0.76622005
Cl       7.07309963      10.43632911      11.13171791      -0.85897165       0.56086023       0.36134876
Cl      10.68191280       4.07933750       2.51248463      -0.30421355       0.32814572       0.29033265
Cl      11.87928562       0.87970732       3.48203491       0.94533856      -1.47509440      -0.09084559
Cl       8.98886567       1.47875810       8.69741278      -1.31341846      -0.10594302       0.34012369
Cl      11.18190361       2.16015634       6.72600192       0.94844022       0.43075519      -0.48561051
Cl      12.40092243       1.87609229      12.16789469      -0.55725906      -0.24512754       0.29083956
Cl      11.85130451       6.21708610       5.60891608      -0.41775749      -0.55598613      -0.59319753
Cl       8.85893890       6.32198985       8.37839774      -0.17783290      -0.05194755       0.53583508
Cl       9.15723472       5.75702295      12.14444592       1.61633848       0.42950733      -0.60096804
Cl      12.11651560       8.83524891       1.67490512       0.21221469       0.00580565      -0.08347496
Cl      10.54063616      10.43055261       7.73532752      -0.13363393      -0.02741756       0.00495219
Cl       9.88156948       9.00735046      10.98551538       0.45355103      -0.46139719       0.08064393
Cl       8.06044914       1.06171272       3.51852206       0.58409012       0.22725720       0.26957522
Cl       7.79650761       4.27500208       5.91768577       0.83093166      -2.24457023       0.07907844
Cl       9.75176966      12.58103491      12.04493780      -1.20830021       1.25721410      -3.25924533
Cl       1.74812064       9.65381041       9.77138437       0.31420069      -0.49267393       1.35890316
Cl       3.52900863       0.20086470       1.11756828      -0.13256834      -2.18948860      -0.62332992
Cl       3.57184358       3.64193599       4.54351402      -0.26533420       1.13382078       0.62734578
Cl       3.17278279       0.35269519       4.87552935      -0.99696221      -1.36375884      -0.09079782
Cl       3.12987166       3.65861801      11.74683242       0.12761117       0.32220203       0.06118855
Cl       1.87920271       0.70697861       9.53618568       0.52545074      -0.21916973      -0.05999236
Cl      12.56768929       6.28710234      10.79343095       1.50115698      -0.67809228      -0.66646101
Cl       2.74651532       9.15907558       2.13294967       0.69229400       0.87863001      -0.80599566
Cl       1.68562020       5.21627926       8.09457491       0.17792365      -0.56860266       0.21460712
Cl       1.23928353      10.75016434       7.05645570      -0.45200080       0.55456394      -1.32057149
K       11.94850203      11.16900488      10.31909794      -0.36359517       0.18489824      -0.57249783
K        5.44144842       0.61268077       8.78658667       0.17558205       1.36536550       0.45222583
K       10.47307018      11.03165119       0.99838198       0.16731603      -2.65745550       2.81739121
K        1.60623462       1.87337543       6.52396415      -0.40048176       0.63641700       0.39612456
K       12.34332249       7.70600068       7.91933754      -0.09357452       0.28323680       0.47550324
K        9.02522587       6.72862991       2.58233582       1.00114240      -0.78775814      -0.28269929
K       11.17022366       3.72165166      10.03439911       0.00640296       0.08473336      -0.12651998
K        2.39475833       7.20132519       3.84754123      -0.61289590      -1.18522767       0.67382860
K        7.41715039       6.76722454       5.41634922      -0.45060654       1.82071011       0.20815586
K        5.40524057       1.41281715       5.06259902       2.38171776       1.05895427       0.03667301
K        3.58329501       2.63155666       1.82042208       0.03006062       1.84559914       0.26279965
K        2.33794552       7.34825137      12.03857731      -1.54022891      -0.04671797       1.10314531
K        7.76351175      10.36256767       8.28153031       0.15404451      -0.41418408      -0.10727072
K        4.16274759       9.77417740       5.79703948      -0.13374862       0.85348188      -0.82262207
K        1.28026239      11.52563698       3.67835967      -0.27450062      -0.59095229      -0.11104861
K        9.37478652       1.97438163       0.84430691       0.13354058       1.52789455       0.93788588
K        5.60966512       8.54318663       0.46442028      -0.42463046       0.26820410      -0.46736347
K        0.98357764      11.19927119       0.37197219       0.72439089       0.09296468       0.01044867
K        6.56577076      11.59776069       1.61838431      -0.14621445       0.26981214       0.17446414
Li       3.61884269       4.21352999       9.62568966      -0.60815799       0.63892787       0.31948184
Li       7.65332663       3.52500951       8.26590203      -0.06579502       0.58143570      -0.16848890
Li      11.70115365      11.84885426       6.72470697       0.90320361       0.05630197      -0.18400875
Li       3.33094457      11.30008695       9.35594625      -2.65427061       0.56127017       1.01409986
Li       7.46355281       5.06218007       0.06389632      -1.64826550      -1.66502828       0.01023093
Li       8.00547719       7.15996292      10.65628038       0.50638861       0.32679077      -0.58708586
Li       1.58893051       2.22458651      11.33072144       0.42522671      -0.31067010      -0.34458409
Li       8.06090618       1.00071924      11.01015754       0.18683481      -0.13510565      -0.35852443
Li       3.19941816       5.45707670       6.51548348       0.24186997      -0.74138859       0.07341071
Li       3.36221383       8.15263189       9.36197666       0.51789085      -0.26635022      -0.77100104
Li      10.33817943       4.28056276       5.78483901       0.23682863       0.64325591       0.03603705
Li      10.40361255       2.22420564       3.58108598      -0.99411212       0.66401750       0.06906859
Li      10.89522427       6.97263935      11.52976305      -1.33983588       1.33947785       0.68085983
Li       9.38448596       1.25633880       6.11792077      -1.00422980      -0.26683844      -0.09315919
66
Lattice="11.0097 0.0 0.0 0.0 11.0097 0.0 0.0 0.0 11.0097" Properties=species:S:1:pos:R:3:forces:R:3 energy=-565.01006862 stress="-0.07940390152895682 0.000592192675690303 -0.0012765337375718123 0.000592192675690303 -0.07477899276808621 0.002847515112111665 -0.0012765337375718123 0.002847515112111665 -0.07207408808795421" free_energy=-565.01006862 pbc="T T T" config_type=melt 
Cl       2.73475443       2.88045680       2.04847579      -0.24017069      -0.92099615       0.21829610
Cl       2.95982573      10.78925278       7.30793059      -0.58417652       1.94567493       0.27312823
Cl       8.93365592       5.76583494       3.93194921      -0.86390794       0.75234734      -0.51034024
Cl       0.76650742       7.59729853       9.38658397      -1.39725239       0.24462324      -0.25493022
Cl       6.22089887       1.38256510       2.24017669      -1.52538664       1.56797515      -0.23054988
Cl       0.02554250       2.95515762       9.29412451      -0.31273353      -1.14592153      -0.52079677
Cl       7.92675280       1.96727925       5.44006893       0.78737706      -0.37506215       0.15537623
Cl       6.21789322       0.05381442       7.13121389       0.16206612       1.36505121       0.15535941
Cl       4.72230254       1.62711255       9.78248177       0.60161897       0.71465649      -0.34787700
Cl       6.40544346       6.29445467       1.61409909       1.10849686      -0.99539848      -0.33304280
Cl       9.97210183       0.99291750       1.53482925       0.80539695       0.53902963      -0.20512355
Cl      10.48975591      10.38133238       7.88650133      -0.67850264       0.87562457       0.07304478
Cl       5.05923239       3.95904408       4.25012954       2.48899951      -1.48277990       1.71940407
Cl       7.24521934      10.29720726      10.81556596      -1.15093153       0.48511992      -1.11146903
Cl       4.55996452       9.48684931      10.11855286      -0.97661933      -0.41575945      -1.50243912
Cl       6.13105972       4.25172595       8.28723239      -0.32726943      -0.49864261       0.31544517
Cl       6.65380027       7.42576741       6.95761294      -0.73297739       0.19339212       0.65427061
Cl       2.93863206       8.06619065       7.38951247       3.50589017      -2.90447572       0.12673733
Cl       0.65393104       7.51590382       5.61294323      -0.36001156       0.49830693       0.77549592
Cl       1.59367609       8.66861941       1.39700982       0.93348182       0.75622477       0.02040500
Cl       1.87387296       0.17348425       4.23664266       0.12308737      -0.20604871       0.18705859
Cl       0.15756532       3.43001699       3.72792846       0.43305057      -0.89476233      -0.46990881
Cl       8.34187353       9.24084857       5.00436005       0.29199844       0.99940674       0.06164989
Cl       2.56805656       3.39728515       6.99392293       1.51517539      -1.96223323      -0.41948347
Cl       1.69107891       0.90228895       0.23032292       0.15236458      -1.25873193      -1.10649884
Cl       9.64665510       4.79530786       7.10633197       1.44468064      -0.13016386       1.54584864
Cl       9.28500848       7.96201687       1.89018933      -0.25743173       0.31096430      -0.58197134
Cl       4.79668408       9.77181337       4.34003475       1.42373253       0.28769123      -0.46258931
Cl       8.55897381       3.83511890       0.03578153      -0.64574569      -1.60319066      -1.65066608
Cl       8.69844469       6.85428691       9.99355974       0.91395561      -0.57326934      -0.80567511
Cl       3.23910879       7.35565764       4.20751099       0.18015405      -1.24803957      -1.20589426
Cl       3.54984656       6.15802247      10.79905141      -0.03734517      -0.49630323      -0.36918440
Cl       0.08625594       5.40839402       1.03983864      -0.02151272      -2.27799824      -2.75701190
K        7.95829559      10.58234748       2.31177277       0.06261250      -1.89764048       2.03660621
K       10.90488766       9.34557284       3.62739889      -0.43866257       0.76938893       0.09551136
K        7.92544264       1.57595048       9.10762019      -0.15750006       0.59450334       0.37144723
K        7.44105988       4.63342124       5.92619122      -2.00792044       0.03914154      -0.60593108
K        9.43790018       7.68768817       7.04635113      -0.54255636      -0.21910924       0.81121754
K        7.83808067       3.59802501       2.42442402      -0.71730937      -0.69953183       3.03362055
K        5.61539840       3.85318582       0.16226536      -0.08682861      -0.28234289       0.08007134
K        9.56069136       9.42936766      10.42959891       1.69145619      -0.22950811       0.28108611
K        4.67485074       8.29584198       1.39054713      -0.57392080       0.34933219       1.68107336
K        2.48819220       3.54869054      10.29819814       0.25240057       0.03116925      -0.31418669
K        3.70086662       0.15911108       2.08281505       0.54012378      -0.37712691      -0.72222032
K        1.34276503       5.50622621       7.56804576      -0.66418239       1.33031448       0.44242382
K        4.59202476       1.38895072       5.13408734      -0.24244334      -0.02045097      -0.51944045
K        0.51842585       6.58958069       3.12455286       1.16365450       0.19272121       1.75320290
K        3.97558065       4.99414305       2.41730074      -1.31053396       3.34509445      -1.67081103
K        6.29689883       7.23291049       4.30599276       0.11635798       0.45925931      -0.70789154
K        4.24317141       5.54339496       6.11718749      -0.40661843       0.99979893       1.52895604
K        6.11838755       6.92764454       9.57829587      -1.00659848      -0.00032229       0.46015841
K        0.45730661       1.56355356       6.09947289      -0.48393922       0.64301866       0.57304229
Li       1.22835223       1.36797724       2.60890255      -0.86693277       0.59733647      -0.54516503
Li       0.18765703       0.70541460       9.73499693       0.05218854       0.42504830      -0.14614992
Li       0.13581896       7.50273622       0.44670537      -0.52808010      -0.28129419      -0.01947588
Li       9.86562702       4.70218782       9.64541101       0.04216006       1.13828674      -0.62064162
Li       3.25011849       0.15837674       9.68903144      -0.54562051      -0.30387978      -0.39671585
Li       5.48332604       9.37446229       7.84964086      -1.16385833      -1.47690921       0.46765346
Li      10.07693620       4.52715561       5.03900757       0.31685397      -0.27159629       0.71287140
Li       8.70978468       5.70935518       0.88836719       0.14099389       1.97381872       0.74570519
Li       2.81280219       7.82631130       9.60057951       0.89243485       0.64687083       0.26672971
Li       8.29856138      10.85149391       7.03528638       0.61207098      -0.41425925      -1.64040190
Li       5.29115172       2.21222306       7.44244710      -0.29834249       0.21155488       1.04117055
Li      10.40175538       3.14848795       1.38060537       0.68428093       0.28927970      -0.10862447
Li       2.91794483       9.38092498       5.34090456       0.06470402      -0.38339555       0.08479720
Li       1.29507101       9.10856702       7.41950289      -1.34999632       0.67511756       0.11424327
66
Lattice="10.9356 0.0 0.0 0.0 10.9356 0.0 0.0 0.0 10.9356" Properties=species:S:1:pos:R:3:forces:R:3 energy=-561.03975263 stress="-0.08319872786774346 0.009023917577065173 -0.002727730041284597 0.009023917577065173 -0.08460858721825133 0.007064687583787268 -0.002727730041284597 0.007064687583787268 -0.08821318341259372" free_energy=-561.03975263 pbc="T T T" config_type=melt 
Cl       3.53577474       2.59490852       2.34579556      -1.69293618      -0.78888653      -0.96645781
Cl       0.91538299       7.90687622       9.53087844      -3.65790053       0.68862494      -3.89937033
Cl       9.74871559       5.06872715       7.52183375      -0.59770711       0.91951163      -0.05188137
Cl       8.94232445       5.06626664       3.16362534      -0.46734790      -0.79287987       0.99964618
Cl       6.42483997       1.32600711       1.65213951      -0.91702236      -1.24463059       0.91642807
Cl       8.28443875       3.19938475       0.17934384      -0.26590501       1.24565117       0.75365656
Cl       5.81402110       0.25821686       6.27845603       0.08494658      -0.33755034       2.82465874
Cl       4.05898852       1.31335462       9.68788085       0.18647261       0.46493291      -0.13505159
Cl       9.42407043       2.64158166       5.70187652      -0.22751272      -0.30132662       0.48278959
Cl       6.63800762       6.13004900       1.16619426      -0.67770994      -0.46703469       0.49258000
Cl       5.40815724       4.49887303       4.07754624       1.80112491      -1.00747400      -0.70922194
Cl       7.28173171      10.73147609      10.07920036      -1.22342693      -0.14314185      -0.77786966
Cl       5.93308791       7.68397589       5.99106846       1.19703452       1.51598376       1.03392101
Cl       5.29973076       3.67078566       8.28187982       2.15722917       2.09836625       0.59300673
Cl       9.66758437       0.88315140       2.52805920       2.15859791      -0.33553218      -0.78522626
Cl       4.20541621       9.15819319      10.09347132       1.05161739       0.76879544      -0.54147267
Cl       5.00976239       9.70958801       3.77535187       1.62022377      -0.29145955      -1.68869878
Cl      10.34067493       7.47823351       5.69558855       1.19740884      -0.67401361      -1.16672031
Cl       2.57993769       9.82388690       7.35263814      -0.52964945       0.61223900      -0.36548009
Cl       2.55255495       7.68722376       4.23669202       0.10664502       0.43464264       0.33377277
Cl       0.85450122       0.59627890       0.13843048       0.43223453      -0.05361638       0.13024920
Cl       2.33103250       0.16794457       4.23067744      -0.75865363       1.19085338       1.04953177
Cl       9.60567794       0.12160387       8.42898551       1.70323702       1.64069185      -3.19945597
Cl       2.83905673       3.57602868       6.48158480      -0.40928606      -1.76664156      -0.56232582
Cl      10.59884476       2.81995224       9.37697080       2.62635101      -0.12363912      -0.11357416
Cl       3.70007120       6.93217526       7.97076200      -1.03906307       0.57979781       0.74801703
Cl       8.81906930      10.22400957       5.40173804      -0.14179567       0.31058379      -0.63328086
Cl       0.19699280       5.18559591       0.77633137       0.20692346      -1.49741061      -0.72759847
Cl       0.94487958       3.81219390       3.84992172      -0.03013013      -0.74277995      -0.06358010
Cl       9.58230856       8.09243148       1.96418686      -0.54705817      -0.65824347      -1.04147629
Cl       3.38264353       6.00250710      10.91236185       1.28851312      -1.52636746      -0.13323025
Cl       1.97863279       8.25559064       1.11200836      -0.74931342      -0.14127806       1.37873998
Cl       8.81237671       6.76704770      10.12116025       0.08204346       0.47953243      -0.87677742
K        7.74152995       9.99545553       1.78249186      -1.01382305      -0.27762706       0.75731699
K        8.75491013       8.41779839       7.48717883      -1.13385971      -0.51336940       1.05148587
K        7.95526625       2.48974086       3.47845033      -1.72950661       0.85280942       1.03955217
K        7.17263817       5.29848411       6.03917416       0.75130985      -1.08541839       0.60607759
K        9.77440331       9.65334622      10.31285039       0.82232725      -2.59892547       3.12555952
K        8.20367934       2.56519650       8.34239743      -1.73793077       0.42502503      -1.07624077
K        7.43078394       7.35923231       3.58771884      -0.38861895       0.60293118       0.72930027
K        3.97628258       5.95494817       5.66091176      -0.87770217      -0.80716685      -0.27069586
K        2.99610288      10.68508728       1.73241775       1.60755747       0.34973781      -1.33099475
K        4.80346230       8.16080086       1.48525132       0.00284104      -0.46651714       1.07262366
K        5.97258730       6.80109022       9.49075572       0.18526265      -0.34663569      -0.47090361
K        4.89855828       1.58415289       4.31969323       0.14313749       0.92802711      -0.51556654
K        0.75873161       0.97369926       6.37199915      -0.59434299       0.67024785       0.47032347
K        5.35321678       3.30121706       0.51665023       0.42765735       1.73745836      -1.50508862
K        2.41481013       3.49221825      10.76435944      -0.81192853      -1.33751499      -0.48974503
K        3.31702993       5.21987901       2.57672262      -0.75840938       1.16858284       0.48676390
K        0.33635828       6.36340377       3.19150018       1.04067409       0.71605508       0.63933836
K        1.56891960       5.05904914       8.30885794      -0.29842566       0.28630268       0.49463156
K        0.50897672       9.38355403       3.18166908      -0.31679768       0.93431522       1.14781187
Li       4.70358747       9.61548717       7.93990174       0.60583991      -0.14334618      -0.28479476
Li       1.47243480       1.80831082       2.91672136      -0.33798866       0.30082221       0.20266730
Li       7.76352144       0.01924666       7.43852635      -0.69352612      -0.09133746      -0.85901280
Li       9.69273625       4.71779281       9.66882010      -0.10083270       0.32850133       0.43214337
Li       0.93596051       8.23252746       7.18264424       0.43044352      -0.21560817      -0.08417834
Li       3.65269818       9.76833406       5.32641363      -0.23257570      -0.77394302       0.46262579
Li       2.69164484       7.64134892       9.91738628       2.93420155      -0.01867560       0.22222677
Li       2.80163511      10.66061340       9.46030008      -1.40120839      -0.15678207       0.19752383
Li       8.77287732       5.42812564       1.02276621      -0.37871993       0.19542346      -0.13773349
Li       9.21471931       1.28109460      10.51255631       0.43455718      -0.03949881       0.30563363
Li       4.36346843       2.10450154       7.44917762      -0.58975712      -0.97606363      -0.20693622
Li      10.04875565       3.11279667       1.80055748       0.30929851       0.24364982      -0.03580349
Li      10.29283824       4.65502247       5.40579515       0.16455478      -0.19815909      -0.23123205
Li      10.93490012       7.21208288       0.27874844      -0.43189363       0.25039907       0.75707294
66
Lattice="10.7203 0.0 0.0 0.0 10.7203 0.0 0.0 0.0 10.7203" Properties=species:S:1:pos:R:3:forces:R:3 energy=-562.19076408 stress="-0.09477773124924131 -0.007895751645460535 -0.008077014925819095 -0.007895751645460535 -0.10832439692157067 -0.004361706074896185 -0.008077014925819095 -0.004361706074896185 -0.08533128124272278" free_energy=-562.19076408 pbc="T T T" config_type=melt 
Cl       2.34457249       3.03092898       1.42268029       0.13737683      -0.52555378       0.86864697
Cl       3.31723603       2.86791610       6.64132233      -0.27271757       0.24681945       0.08088408
Cl       4.64952275       1.16542525       9.22222384      -1.37588825      -0.19778488      -0.40939116
Cl       6.73374204       6.33489328       1.56536749      -0.37106175       0.06973763      -0.43864713
Cl       6.07339300       4.17286605       4.01804348       0.85654339      -0.82650708       0.15478103
Cl       5.85807577       4.24806896       8.84322907       1.16560522       0.40049678      -0.17045462
Cl       5.57167224       9.92168053       3.41640953      -0.73033162      -0.22853499       0.27351552
Cl       6.15579995       8.27877312       6.61340667      -0.31918488      -0.47822721       0.34231572
Cl       3.24460600       8.92360988       9.50103740       2.92022904       0.70375539       0.68092471
Cl       6.70381096       9.60154021       9.88928378       0.63081941      -0.42855630      -0.29054375
Cl       9.64733733       1.53755903       1.53047291       0.44849073      -1.41025424       0.13192682
Cl       9.21111761       2.22526627       4.75640414       2.51517918       1.29235022       0.99734365
Cl       9.41990617       3.20832850       8.28745656       1.47803619      -2.39041183       0.49653314
Cl       8.33526910       3.93623687       0.58159986      -0.59375817      -0.46232685      -1.83813230
Cl       9.28489471       5.22123635       3.30646213       0.31812172       0.36011234       0.80197345
Cl       8.46896196       5.23978247       6.42098801      -2.05097620       0.53873216       0.63852639
Cl       8.56573411       6.84122377       9.66701980      -0.38082316       0.34691470      -0.77365445
Cl       9.43212731       7.72516610       1.75360523       0.37202759       1.56612040       0.36870914
Cl       8.55730795       9.54701677       4.34450878       1.25338258       0.95622680       2.09988145
Cl       8.81961225      10.68265031       7.38002604       0.87763259       1.90175549       1.39921167
Cl       5.21957471       0.39632091       6.36857646       0.09423596       1.52000443      -0.64666165
Cl       5.61466064       1.17183599       1.13905332       0.11103666      -0.83098280       1.99838472
Cl       3.58271354       5.89711911       0.93306382      -0.03092138      -0.43660734       0.06667416
Cl       1.07410974       1.15530529       9.86488438       0.03323101      -0.04460058      -0.95762297
Cl       0.44992563       5.20124299       0.17913836       0.21437743      -0.74732353      -0.17494460
Cl       0.74618005       7.71773694       8.92833753      -1.31938015       2.17320198      -1.32587277
Cl       2.34179593       9.64001537       6.87046875      -0.78385080       0.64815015      -1.49562391
Cl       3.59743251       8.02746784       4.14941004      -1.58607262      -2.46439830      -0.26579721
Cl       1.24992266       3.73114681       4.37536180      -0.23813700      -0.42549376       0.06359109
Cl       0.19378014       6.52577894       5.71391990       1.60577568       1.41649313       0.18760837
Cl       1.54316574       0.28442457       3.76622364       0.38059258       0.62866276       0.64449932
Cl       3.16698031       6.30207844       8.06630749       0.24480100      -1.04917451      -0.26147739
Cl       1.53271345       8.78034379       1.26857598      -1.41545814      -2.04772014      -0.83858660
K        7.13730773       1.68180066       9.73249940       1.84473867       0.27039422      -0.14215822
K        0.54345489       1.27394685       6.30085632       0.34120137       0.14831655       0.63734979
K        3.56925956       4.91170913       4.17215851      -0.80756281       1.05913544      -0.84247867
K        3.32536202       3.62933612       9.52353931      -1.05977401      -0.06510681       0.01594640
K        7.79539479      10.06606153       1.95231671      -0.09299225       0.12400499      -1.74882544
K        2.86996367       0.07712291       1.40393049       2.15057423       2.42866077      -0.66138535
K        3.88809201       1.89912259       3.79992826       0.27414629      -0.18289685       0.20096374
K        1.08197844       6.32022791       2.53222062       0.89324444      -1.02688684       1.30547769
K        5.64726107       6.98216355       9.40968972       0.25157397      -0.47607626      -0.32139908
K        5.12910609       5.70009071       6.24972049       0.80945907      -0.39087074       0.38960937
K        7.52945631       7.17364955       4.02152758      -0.95475947      -0.92152003       0.57798025
K        0.58338586       8.62315203       4.00547929      -0.50663957       0.03498819       0.24924343
K        9.56791063       9.57149121      10.23634278      -0.34917762       1.06884100      -0.07754683
K        5.67779249       3.73236893       1.10158587      -0.93052537       1.61596869       0.23989372
K        8.79244701       8.11383058       7.32198634       0.89249850      -1.41818810      -0.95158457
K        7.10323862       2.58869516       6.92452050      -0.39069542       0.32064073      -0.86474129
K        7.12520451       1.44396009       3.94752535      -2.70271135      -0.44038319      -1.54517996
K        0.47117755       5.27346565       8.19813502       0.36952899      -1.35545307      -1.19560470
K        4.96578232       8.23145371       0.96343979      -0.56407806       1.62072851       1.71401795
Li       8.49384377       4.86926746       8.92770504      -1.54074075       0.37621990       0.08209995
Li       0.63052195       2.05082555       3.10404142      -0.29668371       0.31104404      -0.50163355
Li      10.24131700       4.50662115       5.39376886      -0.76583370      -0.58312675      -0.73852189
Li       5.19999944       9.82221759       8.16452688      -0.02248895      -0.09918055       0.76938444
Li       7.19605498      10.35754863       6.21426846      -0.16028189      -1.04664476      -1.10022125
Li       9.40527296       3.55489436       2.27810663       0.19994365      -1.04741006       0.47644217
Li      10.35406239       2.85552343      10.47241665       0.00612384       0.02303861       0.00895779
Li       1.38039943       9.79699272       9.62124412       0.07864125      -0.16737780      -0.17564191
Li       2.36584157       6.99372003      10.25701152       0.47305807      -0.07221781      -0.13355014
Li       4.51819908       9.32779735       5.43068957       0.04509971       0.21108760      -0.13472013
Li       1.95792343       7.62518859       6.80388496      -0.26049037      -0.80715017      -0.32248879
Li       3.20223937       0.51524978       7.85674707      -0.06611123       1.30259302      -0.00393124
Li       9.01372472       5.92784349       0.73251595      -0.63196103      -0.53548489       1.25621876
Li       0.11867372       7.33765942       0.07890141      -0.71525761      -0.05476328       1.12950667
66
Lattice="10.5957 0.0 0.0 0.0 10.5957 0.0 0.0 0.0 10.5957" Properties=species:S:1:pos:R:3:forces:R:3 energy=-558.23409446 stress="-0.10931890709561401 0.012465117697216121 -0.010040750620844412 0.012465117697216121 -0.11799825433453236 -0.0055615190324964205 -0.010040750620844412 -0.0055615190324964205 -0.10392838899175628" free_energy=-558.23409446 pbc="T T T" config_type=melt 
Cl       1.27611432       3.39044387       1.22848665       1.14580153       0.34137695       0.72197665
Cl       9.40515655       4.84367592       2.85756493       2.47168748      -0.37245949       2.55634230
Cl       4.93408902       0.52350493       2.01741068      -0.08746840      -0.29918468      -1.35665361
Cl       7.77417105       3.78811109       0.85185931      -1.60683357       0.37247568       0.36497458
Cl       9.63062245       2.86804408       8.95066460      -0.75119485       0.40731635       0.22426154
Cl       5.33913085       0.31973478       6.15197997      -1.66095526      -1.03330037       1.52838663
Cl       8.62173169       0.26848550       7.57883932      -0.67285858       0.96641484       0.13440679
Cl       3.83859960       2.96112730       6.66843558      -0.93502932       0.30511417      -0.81734210
Cl       4.46979605       0.97725942       9.67725413      -0.18699564      -0.05093281      -0.90998457
Cl       6.28693740       6.35947557       2.09214216      -0.33440653      -0.59762492      -1.50608389
Cl       6.00024955       3.72164426       3.91773888       0.41453083      -0.54925399      -0.56043171
Cl       8.98642508       2.51886278       5.02204393      -0.38917987       0.86771871       0.00492067
Cl       7.33699247       9.31799632       9.97817201      -1.15847026       0.41837569      -1.00541235
Cl       9.19190749       1.29166881       2.22260701      -1.56513022       0.61865596      -1.24014368
Cl       6.33133339       3.83073759       9.02982507      -1.69274341       0.07240236       0.39080048
Cl       4.28117139       8.26018521       8.69358113      -1.12491518       0.28454136       1.35775641
Cl       0.56271220       8.30974130       8.54453142      -0.24580945       0.02683199       0.95470886
Cl       5.54784495       8.83192918       3.86295911       0.60399374       0.43767352       0.43413505
Cl       2.34942694       9.42600889       6.84174945       0.52961912       2.46281624      -1.98364384
Cl       3.18994144       7.53716643       4.42140548       0.06411308      -0.89017707       0.55680723
Cl       1.21427782       1.08501028       3.41000354      -0.58902564      -1.42674956       3.01745931
Cl       8.80307709       9.86642976       4.33410751       0.86346194      -0.72190809       0.55283764
Cl       1.38890555       1.17952392       8.95204204       0.39185733      -0.26917360       0.03719317
Cl       3.60131949       5.78685215       0.37544909      -0.06847430       0.74695220       0.45284636
Cl       9.37438664       7.87049656       1.81807378       1.56681667       0.06002305       0.35862290
Cl       2.76095334       5.99621259       7.25006534       1.98741218      -0.32413168       0.47928593
Cl       1.77848825       4.20279500       4.35981268      -0.79520821      -0.82046626       1.03093223
Cl      10.40350460       6.62067017       5.36473006       1.32202084       2.24708442       0.14446945
Cl       0.57143882       5.37232718       9.90128961       0.66039518      -0.05116255      -0.48306863
Cl       1.95022335       8.66175164       0.60825675      -0.98324472       0.29978491       0.60311941
Cl       8.08894810       5.14108662       6.60286939      -0.51378114       0.10078175       0.09597449
Cl       8.50096190       6.85290672       9.66831136      -0.18151840      -0.90885774      -0.29115787
Cl       6.39166530       8.22371481       6.87388621       0.43445043      -1.57507368      -0.48034952
K        7.63727460       6.99393549       4.18162479       1.10615110       0.29490176       1.54884239
K        7.30117900       9.60377295       1.89862229       0.08817300       0.15887097       1.34061052
K        7.28399277       1.52263388      10.04397131       0.36620242      -0.74981056      -0.02667330
K        9.87637912      10.41216128       0.10342876       0.86724106      -0.61631163      -1.30371418
K        8.97036200       8.31572787       7.09301588       0.65866276      -1.52764556       0.14351621
K        5.03731233       5.49778026       5.49347841       0.09609036       1.23387185       1.97720498
K        6.51214901       1.06877766       4.06577141       1.82461530      -0.24953580      -0.86903000
K        1.03249057       8.88061642       4.23343777      -1.44223638       1.67470025      -0.85159018
K        1.06884124       4.06976599       7.20686667      -1.40834466      -0.92320201       0.41713050
K        1.38332161       6.33187377       2.62013648      -1.74017116       0.33224137      -1.33037372
K        4.91443400       3.20433040       1.31019009       0.35094781       0.64408748      -1.31349821
K        3.64123350       2.02581307       3.66428974      -0.40778270       0.72785375       2.15373225
K        6.52005340       2.53906878       6.89359421       1.89855678       0.09056581      -1.12469044
K        3.37410530       3.95784361       9.19565837      -0.56803326      -1.46173100      -0.15887311
K        2.16089765       0.92426927       1.15403067       1.14283392      -1.21055850      -2.55409900
K        3.77529029       5.34094271       3.03324163       1.24648484      -0.43285481      -0.59659347
K        5.95747471       6.33163007       9.34441140      -0.38563489       1.12897716       0.18006233
K        4.52961937       8.36164963       1.17066591       0.81992394       0.40242185       0.00707908
K        0.29822021       1.20245301       6.22425324       0.62634177      -0.84650893       0.42171824
Li       8.31110814       4.79799785       9.33636927       0.83251338      -1.00684798      -0.72933665
Li       3.06322747       1.16183970       7.56575363       0.78301903      -0.74626581       0.10353070
Li       7.44300244       9.90937413       5.89349787      -0.88044209       0.27376035       0.52776935
Li       5.77893716       9.85406457       8.49370384       0.12683079       0.30681896      -0.25921251
Li       1.58315652       7.45781523       6.64618461      -1.20707334       0.46511718      -0.58457619
Li       2.20572806       6.92865538       9.21332140       0.11994980      -0.09166923       0.66927052
Li       4.36371190       8.52503533       6.30437793      -0.39449232       0.49202418      -0.62513970
Li       2.66112065       9.63014565       9.11201592      -0.66300211       0.43390772       0.23858696
Li       8.46354848       5.87731824       1.55459051      -1.51516163       1.40601183      -2.24822034
Li      10.43592744       2.73026819       3.19340624       0.80813430       0.55980017       0.33355432
Li       8.02333953       3.29455279       3.06211492      -0.30909713      -0.46871566       0.02011872
Li       9.76717983       3.37740057       0.80020846       0.99332597      -0.31682905      -0.83550910
Li      10.03948932       4.71645335       5.20949246      -1.12546911      -1.86116190      -0.56348214
Li      10.39637369       7.24288146      10.34517527       0.37802502       0.73783213       0.52393890
66
Lattice="10.5457 0.0 0.0 0.0 10.5457 0.0 0.0 0.0 10.5457" Properties=species:S:1:pos:R:3:forces:R:3 energy=-557.2940135 stress="-0.13158062553349176 -0.004945393826832703 -0.008475972963092685 -0.004945393826832703 -0.11793438152633416 -0.005411588851964854 -0.008475972963092685 -0.005411588851964854 -0.11911847406355565" free_energy=-557.2940135 pbc="T T T" config_type=melt 
Cl       2.36922860       2.96599922       2.01236211      -0.54222435       0.01068188      -1.34272948
Cl       4.99231329       0.73795645       2.40250028      -0.09674837      -0.06682387      -1.59081641
Cl       9.44140702       2.68794074       8.60303442      -1.38170299       0.72359822       0.27303148
Cl       7.81316149       0.16004576       7.54728330      -0.35727120       0.57693110       0.11209264
Cl       5.84007157       3.41972796       3.61119569       1.72659720       0.87254839       0.12765972
Cl       5.11095241       0.32436886       6.38094997      -0.84240092      -0.00945326      -0.29685679
Cl       9.02992436       2.65910880       4.88249037      -0.40465195       0.03295639      -0.72235733
Cl       6.19064227       8.00133896       6.82375337      -0.86830838      -0.57362799      -0.21558817
Cl       3.80563730       3.13609081       6.87076610      -1.00072974       0.99132270       1.45180700
Cl       6.35558756       6.61741620       2.39417973      -1.32023838      -0.44278448      -0.29194026
Cl       3.79282428       5.94447400       0.18448226       1.05317374      -0.81239190       0.85539455
Cl       9.03937330       1.40529889       1.64447537       0.13490492      -0.05121803       0.24596450
Cl       7.10893019       9.35739998      10.13834070      -2.05174043      -1.28015307      -0.32056366
Cl       3.34055084       9.29895571       9.12891684       3.39590148      -1.10732535       0.09007146
Cl       5.97177681       4.33020151       8.34043594      -0.40950174       0.35082612       1.54777023
Cl       4.72330303       1.32172422       9.29171081      -0.79303280      -0.11356895      -0.72588198
Cl       2.07758727       9.85353298       5.92752706       0.61423445      -0.66835612       0.86033898
Cl       0.56796715       8.22428560       8.62500111      -0.58566991      -0.37280510      -0.02944010
Cl       9.31398333       4.73083266       2.72586308       1.73188271       0.64487676       1.09159773
Cl       1.13259763       0.85644372       3.59856194      -0.10434633      -0.95179732      -0.38841178
Cl       8.74083508       9.72391578       4.94952938       1.35954740      -1.54472679      -1.89391760
Cl       1.26448216       1.27613516       8.86101388       0.24159129      -1.59304503      -0.56487532
Cl       9.67379207       7.96195077       1.56822996      -2.69367697       0.15005633       2.42379675
Cl       1.18924913       3.60593338       5.01116900       0.96471014       0.66153210      -0.19920503
Cl       7.74440353       4.29526361       0.45565544      -2.81390867      -1.34613244       0.18163283
Cl       8.66462131       6.24245330       9.40279922       0.46708831       1.58970693      -0.44449346
Cl       3.10583520       6.79912916       4.46251841       0.00744203       1.02565091      -0.29791688
Cl       0.32076012       6.55383618       5.73105012      -0.31606129       0.63452744      -0.04774895
Cl       1.10472535       5.34817794      10.36278483      -1.96508444      -0.10476524      -0.88477796
Cl       8.01784298       5.10072308       6.10635049      -2.14445422       1.39415354       1.82983233
Cl       1.78560847       8.39468303       1.19404743       0.87348621       0.06223632      -1.99356674
Cl       3.36690455       6.18794257       7.78463537      -1.29347578      -0.04642181      -0.35703587
Cl       5.59087667       8.94058119       4.05611877      -0.34671835      -0.39041636      -0.49634067
K       10.18590181       0.84826131       6.30428273       1.79806700       0.31912653       0.78802665
K        7.38764250       9.40362178       2.17502953       0.52493301       0.53588295       0.47413409
K        7.18360429       1.76717459      10.05707554       0.73448395      -0.42491181      -0.21505869
K        8.30778646       7.04580363       4.20785030       0.19389496       0.49252387       0.36362520
K        5.16940723       5.67101345       5.76606184       0.73085228      -1.21969156      -0.34575316
K        9.35368789      10.50725038       9.72382087       2.43779939      -0.12172685       0.58760420
K        0.94404263       4.14657979       7.71440101       0.24059767       1.35145083      -1.02172093
K        4.38382640       8.38044633       1.29686800       1.63915527       0.72767300       0.72042511
K        1.36042694       5.80777009       2.37968993      -0.29065009       0.02725517       1.27806300
K        5.05682134       3.12207558       0.50002647       0.17529709       1.77392252       1.84415486
K        3.72771513       2.08656166       4.62529129      -1.42833993      -1.44206015      -2.22584929
K        7.14182223       1.11870895       4.05976758      -0.86539377      -0.94914821      -0.41437182
K        0.99091721       8.68397267       3.54359775      -0.79121027       0.29737218       2.19657094
K        2.68606361       3.28731615       9.60287224       1.27264002       1.18832287       0.41580032
K        6.74630575       2.68239371       6.48577423      -0.21204055      -0.79644520      -0.13135975
K        3.97397831       4.91840902       2.67215383       0.41190310       1.10604917       0.53635805
K        8.78319716       7.98160796       7.22182191       0.81799523      -0.47853181       0.16463992
K        5.59153051       7.00667908       9.04400287       1.11474688      -0.28730165       1.99247267
K        2.83929263       0.41498384       0.61720607      -0.97705060       0.57757367       1.34398256
Li       2.79789021       1.21337770       7.18684182       0.78213495      -0.22295556      -0.08150296
Li       8.05448929       4.36747002       8.64317135       0.15846026       0.29003047      -0.38438059
Li      10.36741440       7.34578661      10.45667341       0.93298660      -1.16635314      -2.04872082
Li       2.58496198       7.38266492       9.60011981      -0.92301592      -0.65397715      -0.00659972
Li       4.25058148       8.61718675       5.60175984      -0.26343944       0.56010978       0.35111506
Li       9.76888265       4.24888362       0.35577923       1.15594475      -0.24441198      -0.36350043
Li       2.29920515       7.46698834       6.47118953      -1.10595900      -0.00867079      -0.10548380
Li       1.77627553       9.74812871       8.12563058      -1.14742174       1.00779193      -1.12404266
Li       0.13709410       2.70304219       3.17637539       0.05970671      -0.08445245       0.09513733
Li       7.92566302       3.20846595       2.33040988      -0.60292631      -0.27831951       0.60518367
Li       5.59571715      10.10867565       8.54770113       0.29572117      -0.60025443      -0.67666290
Li       6.83018625       9.54676911       5.71789963      -0.51970004       0.98465721       0.14888682
Li       9.66735919       4.72700457       5.25060912       2.55396911      -0.81296192      -1.29389940
Li       8.12261451       6.12447855       1.62144356       0.85724559       0.30663998      -1.45379930
66
Lattice="12.5176 0.0 0.0 0.0 12.5176 0.0 0.0 0.0 12.5176" Properties=species:S:1:pos:R:3:forces:R:3 energy=-567.73987726 stress="-0.008522705245306747 0.00012064408972806303 0.0002542269090137007 0.00012064408972806303 -0.010930106763919645 0.0014706417316359833 0.0002542269090137007 0.0014706417316359833 -0.0060165534341568155" free_energy=-567.73987726 pbc="T T T" config_type=melt 
Cl       3.23712647       9.40477330       7.36827244       1.10435838      -0.03022072       0.07842279
Cl      10.57699647       6.84337192       5.63214391       0.38529092      -0.66945762      -0.43564250
Cl       5.30326900       4.15063588       2.36407394      -0.58831406      -1.16999314       0.25158616
Cl       7.31146757       0.97539142       4.17905083      -0.45168103      -0.44048854       0.03085438
Cl      10.49782265       1.20747273       9.81668997       1.86933735      -1.01153488      -0.92691961
Cl       4.32978777       1.90396451       9.10249830       0.82234341       0.63142126      -0.00302973
Cl      11.74835593       4.20180783       8.41121384       0.28957079       0.43410797      -0.93425928
Cl      11.47478378       2.63574341       3.67335231       0.39712275       0.10574857      -0.48143641
Cl       6.89162727       0.77937707      11.70729820       0.22542739      -0.81783439       0.93319200
Cl       8.47605501       3.27442891      10.08717027      -0.91781094       1.37106008       0.04978636
Cl       9.53921233       2.80168923       0.62228119       0.46091142       0.21219343       0.68537358
Cl       9.92033569       9.78016361      12.30644061       0.03094651       0.38306374      -0.03628111
Cl       4.62340060       5.31603696       6.77503834       0.87605486      -0.39246669       0.45132472
Cl       6.19765152       8.72563091       9.85674629      -0.96845386      -0.31078446      -0.62765322
Cl       5.04707128       4.91130540      11.31902728       0.28604682      -1.13526773      -0.41857698
Cl       7.25520096       9.51574183       3.11750828       0.44307075      -0.42184226       0.08278476
Cl       0.75388247       9.73172050       9.27390179      -0.99329706      -1.31594243      -0.73885274
Cl       4.13407509      12.40149926       4.97686007      -0.04732302       0.19681223       0.12392404
Cl       7.45222798      11.85558169       7.64536203      -0.02689293       0.39110847       0.32779364
Cl      12.47199838       7.67069766      11.97373532      -0.25847327      -0.90056791       0.12077029
Cl       0.52737024       9.27719392       5.64392297      -0.02788310       0.20108887      -0.34434155
Cl       3.92148869      10.06294871       0.16099511      -0.56765635       0.05341880       0.20784405
Cl       9.24993059       6.86565325       8.58815011       0.14029446       0.91212491       1.56661348
Cl       0.82234874      12.44528582       1.51250161       0.38613600       0.72632707       0.13728921
Cl       2.73789954       6.79362698       9.90363722      -0.14995005      -0.61972638      -0.83379458
Cl       8.83301940       6.19159301       0.57868865      -0.37291383      -0.29911162      -1.03525222
Cl       4.51299536       8.05950683       4.39240080      -0.42863505      -0.36657108      -0.07067967
Cl       8.68315870       4.42875192       4.89000044      -0.58027872      -0.77012902       0.22620305
Cl       1.12386393       6.67125492       2.94207412       0.01875041      -0.38828628       0.14041185
Cl       1.82709393       0.31852410       8.54810631      -1.46102435      -0.82956908      -0.47367056
Cl       1.11299489       3.66688071      11.47619827       0.90412591      -1.36102740      -0.60243314
Cl       1.83097439       3.02246214       6.29601482      -0.31421315      -0.02032298       0.34412749
Cl      11.36620612      11.97906781       5.06219255      -0.53551271      -0.13283502       0.72956264
K        4.72667080      11.71027739      10.49842350       0.67758850      -0.42100718      -0.57894931
K        9.88930456       9.97142002       7.81228423      -0.31992161       0.24075629      -0.03254824
K        0.00838679       7.51030965       7.71629927      -0.27884445      -0.83331089       0.58228114
K       11.22454444       4.86979703      11.00713876      -0.72436535       0.11683148       0.39096517
K       10.89884900       5.69450659       2.21642884       0.58753438       0.19177145       0.80884114
K        9.42639120       0.10452196       1.12843660       0.17882099      -1.65101507       0.93353325
K        1.43879798       2.95850972       2.07139993      -0.11005628      -0.11597961      -0.27996737
K        6.38599133       6.07738242       4.01426914       0.67366568       0.58121857       0.72358952
K        5.53923828      11.50045738       2.30855838       0.13622965       0.28028120      -0.28362361
K        1.15998847       0.68216163       4.56321597      -0.25474336      -0.01435563      -0.48102083
K        2.23300215       5.72403561       0.45742690       0.72001317       1.11553717      -0.44425863
K        2.29069576       6.34547186       5.76648279      -0.47571265       0.73612139      -0.65578330
K        0.11741909       9.73959407       1.80724102      -0.69250346      -0.96119433       0.10402703
K        2.79446658      10.17451808       4.07961102      -0.58971180      -0.73481615      -0.28473137
K        6.29670329       9.79060329       6.02011440      -0.03689246       0.04117823      -0.06368760
K        4.34062801       2.68277203       5.06419536       1.23998212       0.84393494      -0.42274934
K        1.12888974      11.15079074      11.25956868      -0.04515991       1.01417749       1.97067135
K        6.05616509       6.36771564       0.86847359      -0.28891812       1.59046283      -0.15513517
K        7.58710512       2.46544146       7.63683755      -0.25945260      -1.13977629      -1.00816684
Li       0.01877640       2.35720177       7.65992000      -0.14545227      -0.75650470      -0.00711582
Li       9.13247795       1.22313100      11.32205654      -0.71337420       0.52874443      -0.22598060
Li       6.19891580       2.45236057      10.69083153      -0.64528571       1.24943627      -0.50972445
Li      10.91296886       4.21222247       4.95275117      -0.13840832       0.89538399       0.68755917
Li       0.48250466      10.70621566       7.47942873       0.35505899       0.45106827      -1.18703189
Li       8.09647130       4.00097545      12.13197030      -0.46676917       0.74992586       0.03345535
Li       9.13488133       5.06647356       7.60690797       0.59690675      -0.13923162      -0.67752818
Li       8.09142671       2.62176125       3.24444926       0.44356695       0.93145313      -0.13602690
Li       2.16269079       4.35687586       9.06580921       0.24434397       0.77243975       0.31407989
Li       3.79710130       8.70426337       9.42727995      -0.19568898       0.69159298       0.67678530
Li       2.30914671       1.75963658       9.97318500      -0.04501096       0.68788915       0.91990479
Li       3.19101163       0.49759212       6.84496166       0.39256523       0.00234839       0.69810004
Li       4.84916803       7.09874348       8.37745387       0.36425065      -0.54775698       0.05602992
Li       9.63589827       7.20133773      11.18810570      -0.13373004       1.38789942       0.00916517
66
Lattice="10.4644 0.0 0.0 0.0 10.4644 0.0 0.0 0.0 10.4644" Properties=species:S:1:pos:R:3:forces:R:3 energy=-554.44487283 stress="-0.1382803779207412 -0.0013113274546166691 -0.015909530571774525 -0.0013113274546166691 -0.137789575596084 0.005377580797364236 -0.015909530571774525 0.005377580797364236 -0.12085092047674448" free_energy=-554.44487283 pbc="T T T" config_type=melt 
Cl       2.08649672       2.70830183       1.33717243       0.85154852       2.81759208      -0.23506359
Cl       3.79083354       3.25235645       6.25127559      -0.48878151      -0.28362440       0.36243078
Cl       4.76691092       2.02885880       9.20003887      -1.81067054      -2.84484004      -0.40194379
Cl       6.34402157       6.05840624       2.17323613      -0.68630269       0.59626058      -1.54812545
Cl       6.08393937       3.79219392       4.15350872      -0.56869756      -0.48500243      -0.93059711
Cl       5.75064823       4.51999294       8.79806987       0.61538746       1.16317031       0.16045483
Cl       5.57589275       8.85510085       3.99727523       0.11179730      -1.00987266      -0.43162384
Cl       6.22889224       7.93229774       7.19080082      -0.07531266      -0.10685120       0.05200142
Cl       3.88477246       9.11551791       8.93842887       1.69909754      -0.61574836      -0.38651964
Cl       5.15952474       0.20413010       6.14657927       0.96128512       1.07143975       0.58195607
Cl       8.85951683       1.38671089       1.31468443      -0.26688868       0.14575174       1.30194232
Cl       8.24696225       0.17437458       7.49863207      -0.34678124       0.06004862      -0.12117776
Cl       9.68596375       2.88730585       7.60265867      -0.43097574       0.90129319       0.67055905
Cl       7.95438809       3.75941942       0.26639328       0.10014121       3.03727156       1.05430203
Cl       9.50990022       4.59010442       2.49286076       0.88191399      -0.90280156       1.67790557
Cl       8.17009076       5.19510370       6.49652974      -0.80882904      -0.17127729       0.13030752
Cl       8.45796641       6.48590837       9.34021997      -0.08416390       1.10177998       0.59339464
Cl       9.41415096       7.59093855       2.04595763       0.19931224      -0.41278371      -0.63263037
Cl       8.65123341       9.09149165       4.57317302      -0.56941604       1.06285496       1.23352703
Cl       8.64541521       2.33184504       4.62814251       1.10360344      -0.01687801      -0.06897282
Cl       5.14087718       0.83239593       1.92927957      -0.08905153       1.41467921      -2.49627474
Cl       7.28458277       9.53840524      10.08576661      -1.71449333      -0.88020172      -0.50286723
Cl       0.81899941       8.04328317       8.57767914      -2.20559089       1.99390788       0.55630351
Cl       2.44418037       9.74242965       6.38945800      -1.31360949       0.51902635      -1.15769041
Cl       3.45576346       5.98278002       0.39211258       0.17041883      -0.24963821       1.91595451
Cl       0.87039635       1.18032153       9.24167672       0.28453165      -0.54480414      -0.69439198
Cl       2.63566843       6.43129467       7.55013785       3.61892527      -1.36403116      -1.34726269
Cl       3.01901079       7.43562592       4.13826209       0.57127338      -0.41579870       0.15266126
Cl       0.92682249       0.65483808       2.50596219      -0.83333111      -1.86851100       0.72528804
Cl       1.35019014       2.81977908       4.88081591      -1.48916690      -0.17995724       0.67707314
Cl       1.88097590       8.64895217       0.87690730      -1.51956566      -1.92924870       0.99747432
Cl       0.11939566       6.61722613       4.96887384       0.03415258      -1.44360556       1.10533191
Cl       0.43735332       5.10553890      10.19743223       0.91461697      -1.74714347       0.83061471
K        1.13054238       6.22277057       2.49738138       1.82463809      -0.21929512      -1.05136312
K        7.30041541       1.82155904       9.58870761       0.33115650      -2.86214426      -1.44759269
K        2.85230244       4.33997386       3.56374560       2.15980621       1.15161292      -0.28309855
K        7.99851646       6.39063001       4.13510184      -1.08474839       0.29532100       0.31750733
K        7.70032292       9.50335997       2.17833229      -1.41523363       0.27733263       0.21394365
K        9.86801292       9.60171486       0.28132493       0.91520325       0.72116122      -1.15679512
K        2.96010669       0.41191750       0.25753516       0.08002875       2.24376224       0.41577501
K        9.01080066       7.94048090       7.04939538      -0.20202904      -0.01757781       0.35689397
K        0.10578462       0.68540041       6.10006501      -0.74835993       0.44692588       0.17942534
K        3.31918211       0.66740792       3.82463356      -0.28035975       0.19129266       1.00802382
K        5.11832640       3.59806883       1.16638295      -0.31443111       0.45278877       0.15280302
K        5.33659285       5.44013809       6.32140800      -0.49773383       1.14472453      -0.96192210
K        6.61770749       0.91246533       3.85199796       1.12834516       0.62356449       1.81213943
K        0.22541050       5.55468141       7.61016165      -0.72320946      -1.32907147      -0.55950190
K        4.43883105       8.90753796       1.20119801       1.70523187      -2.29025709       1.37774919
K        6.43898600       2.56511744       6.93967615       1.20854584       0.30168184      -1.04738547
K        2.87411025       4.00421312       9.18932332      -0.67719225      -0.78748180      -0.97943176
K        5.77384781       6.98306155       9.94772025       0.66836134       0.43845757      -0.39126126
K        0.68981011       9.05538947       4.14008289       1.29972450       0.44225134      -1.18272904
Li       2.58323132       7.31918854       9.54436995      -0.04925405       0.30422434      -0.00058907
Li       1.76731159       7.56214052       5.98024763       0.56111258      -0.14020586       0.10956313
Li       3.63389894       1.25742323       7.00268230      -0.76314946       0.68930591       0.98646440
Li       8.17948780       4.39794664       8.70674705      -0.04129382       0.34159959      -0.77097157
Li      10.18882003       2.91352964       0.20402755       0.49336534      -0.04899451      -0.18067314
Li       7.09029026       9.64175166       5.96865308      -0.37420921      -0.45392659      -0.23812719
Li      10.45790161       6.99582812       0.18123818      -0.25685773       1.28182142      -0.65243495
Li       0.13955952       2.62716087       3.08113794      -0.38960152      -0.40868868      -0.28106624
Li       8.35373052       5.74026755       1.04034344      -0.43208683       0.52081034      -0.13020172
Li       4.27671656       8.70378563       6.39093348       0.63856388      -1.12427245      -0.33628723
Li       5.94237697      10.03307836       8.43565631      -0.01444441      -0.11660795      -0.39677800
Li       7.83277083       3.26525905       2.42753151      -0.21985037      -0.35779980       0.75968662
Li       9.74110067       4.22215518       5.20776563       0.18550973      -0.59820499       0.04596084
Li       2.05061429       9.84405990       8.43072758      -1.53192525       0.47343305       0.48793311
66
Lattice="10.336 0.0 0.0 0.0 10.336 0.0 0.0 0.0 10.336" Properties=species:S:1:pos:R:3:forces:R:3 energy=-550.39213058 stress="-0.16350114399946686 0.0030156289807721057 -0.009144537905367994 0.0030156289807721057 -0.15552962485844807 0.009514607604490143 -0.009144537905367994 0.009514607604490143 -0.14321281336350405" free_energy=-550.39213058 pbc="T T T" config_type=melt 
Cl       1.93134362       3.17340006       1.82517222       1.30674096       1.68237574       0.21160027
Cl       3.87320928       2.95532080       6.25298026      -0.84471870       0.56950426      -0.35871509
Cl       4.04161373       1.27897664       9.30957318       0.90661527      -0.74645317      -1.17516218
Cl       6.65928842       6.23853053       1.61465891       0.72345192      -0.29433783       0.91701017
Cl       6.10058627       4.12774362       3.92145773      -0.01342527      -0.94116409      -0.78062884
Cl       5.83824826       4.17180598       8.93511024      -0.64883346       0.71460961      -0.75252699
Cl       5.81829978       8.69873626       3.88489930      -0.32144297      -0.37489507       0.34881175
Cl       6.19335187       7.79754042       7.12715779       1.13708087       0.02520878      -1.63783482
Cl       3.69136803       8.36144157       8.01583674      -0.56819441       0.84945533       0.74630651
Cl       5.50088122       0.45587445       6.08395565      -1.05568126      -0.09327003       1.19376005
Cl       7.85688973       1.07314554       1.12509427       0.99237830       3.01820341       0.93215578
Cl       8.12428205      10.27581254       7.28183603      -0.05910013       0.01227001       1.09941379
Cl       9.22082829       3.10507910       7.63267088       1.02651638      -2.43558464       0.15037127
Cl       8.46042944       3.75897581       0.06185166      -0.16241642      -0.75837327       1.03033350
Cl       9.47082512       4.45693488       2.95569290      -0.43802619       0.49798198      -0.41599858
Cl       8.14704192       5.09941030       6.03169683      -1.40570060       1.10716540       0.72002656
Cl       8.49963389       6.58483821       9.22111770      -0.71573321       0.44048606      -0.74232314
Cl       9.60205098       7.79982467       1.74169869       1.44211160      -2.72043894       0.20165991
Cl       9.05109050       9.10985066       4.49084730      -0.39326308       1.08250388      -1.43008623
Cl       8.81110925       1.85368925       4.59897219      -1.58500270       0.98318557      -0.60664136
Cl       4.70093683       0.59466419       1.88327088       1.55641640       0.27768341       0.09550242
Cl       6.27725952       9.33735635      10.02710864      -0.54818742       1.09233706      -1.22275009
Cl       0.49957919       8.24185405       8.05074141       0.88637353       0.56602811      -0.23282123
Cl       2.48020589      10.16961107       5.83954026      -0.07401221      -1.73261192       1.78880855
Cl       3.67950230       5.81904397       0.59917482      -0.94073874      -0.96778346       0.74201816
Cl       0.54076608       1.06154854       9.70256858      -1.00614532       0.08939531      -1.63087320
Cl       2.82536627       5.58111958       7.43461245       0.74780717      -0.66101939       0.85506896
Cl       3.33278118       7.53767270       4.79634845      -0.20437423      -2.02418328      -1.31186028
Cl       0.60593560       0.84066512       2.96050947      -1.06040733       0.25921063       0.21071754
Cl       1.14258278       3.68077363       5.49664346       0.95986338      -1.43214956       0.73551118
Cl       2.04796470       8.39148832       0.34490405      -0.52286223       0.28649529       0.69076490
Cl       0.54791446       6.46950912       5.06747206      -0.55162283       1.06045717      -0.25626816
Cl       0.73633974       5.33558790      10.15753862       0.35475407       0.01356296       0.85125178
K        1.43127760       6.13640051       2.52153955       0.32240771      -0.75223505      -1.19985829
K        6.99913610       1.66233888       8.96468154       0.25889894       0.17636758       0.94882727
K        3.29711165       4.56232074       3.96564413       0.46221741       0.65535047       0.20831944
K        7.77085286       6.71637414       4.11725258      -0.00624939      -0.05348703      -1.51299050
K        7.55137824       9.14532381       1.91218067      -1.48686304      -1.28686936       2.32995374
K        9.06721466       9.23493693      10.03071797      -0.12752626       2.09202361      -1.83516211
K        2.41092368       0.69460607       1.03768272      -0.68946015      -1.00289025      -0.26653191
K        8.88064986       7.79402618       6.63336573      -1.09368759      -1.79659728       0.21696100
K        0.07840042       0.53347507       6.16377024      -0.25756918       1.11173600       0.92047630
K        3.10813856       1.28823770       3.99060557       0.96917855       1.76118155      -0.98458563
K        5.11102797       3.82375152       1.20961174       0.95230739      -1.92591613       0.43471260
K        5.17419126       5.44875677       6.19875760       0.34401201       0.69738318      -0.04205704
K        6.39620621       1.08167274       3.75921354       0.70577864       0.64512143      -0.47423431
K        0.28075677       5.41671517       7.51075776      -1.21326744      -0.58283844       0.21477497
K        4.54158672       8.10766176       1.51417232      -0.04816426       0.90075791       1.02470271
K        6.42529171       2.93233354       6.61937078       1.86016992      -0.50715874      -1.06012055
K        2.34140374       3.27616058       9.39675734      -0.23059382       1.11668963      -1.05844605
K        5.80202058       6.87700592       9.58836611      -0.57762898      -1.15770939      -1.32813946
K        1.17221610       8.63737142       3.33633677       0.94836189       0.81704380       0.85027702
Li       2.79780016       6.71726304       9.33575427      -0.79228788       0.19451164      -0.63442608
Li       1.97158166       7.40159926       6.68006378       0.52674151       0.40893527      -0.99289461
Li       3.26059456       1.29147286       7.24585642       0.07631140      -0.49353561       0.23880298
Li       8.02830195       4.70477149       8.11959984      -0.66626543       0.26827150       1.39853694
Li      10.12617920       2.49611299       1.37564925      -0.68515394      -0.31872518      -0.76791419
Li       7.04759126       9.31267398       5.53159981       0.29162960       0.17045131       0.56821211
Li       0.09281728       7.31161405       9.89872518       0.49027142      -0.31161119       0.92630488
Li       0.74629228       3.23673907       3.59410627      -0.62931365      -1.32433170      -0.58372072
Li       8.83833427       5.67136320       0.87593776      -0.05891342       0.13574923       0.48142363
Li       4.46737424       8.84941446       5.87040355       0.45922313       0.24251661       0.31755061
Li       5.30794944      10.00642630       8.18201894       0.02895434      -0.62695310       0.09982244
Li       7.78767987       2.99253040       2.57218595       0.39832780       0.23859381      -0.20845654
Li       9.42253533       3.76794746       5.19297178      -0.16494708      -0.32401418       0.07900355
Li       1.95682186       9.47232384       8.67042595       0.71287872       1.38633278       0.72427296
66
Lattice="10.2819 0.0 0.0 0.0 10.2819 0.0 0.0 0.0 10.2819" Properties=species:S:1:pos:R:3:forces:R:3 energy=-546.84386321 stress="-0.18188968270207828 -0.005501762680570505 -0.013705657631575895 -0.005501762680570505 -0.1648118539191706 0.00035359322601844325 -0.013705657631575895 0.00035359322601844325 -0.15276374449140884" free_energy=-546.84386321 pbc="T T T" config_type=melt 
Cl       2.71294101       3.23113848       1.92159457      -1.89085692       0.80937550       0.73669516
Cl       3.97083893       3.10938022       6.38041248      -2.00063163      -0.38139169       1.58374476
Cl       3.71482991       1.00502899       8.89952939       1.91533813      -1.58083702      -0.28682097
Cl       6.54030631       6.57751650       1.55992874       0.90114764      -1.75494449       1.04354531
Cl       8.07880757      10.26105859       7.17559406      -1.29024220       1.44438319       2.20298049
Cl       5.97337262       4.07235213       4.01151413      -0.62805857      -0.25933070      -0.46645422
Cl       5.49407157       4.01496885       8.43437623      -0.49083882       0.26564339       1.55775732
Cl       5.90046367       8.42427941       3.87331511      -0.26034173      -0.55511957       0.32092735
Cl       3.31212901       7.03691180       4.21992824       1.61848825      -0.28468558       0.25233470
Cl       6.31934828       7.73069328       6.96391031       1.57730421       0.99038496      -1.65014264
Cl       5.11347676       0.16988681       6.06058370      -0.01132950       0.04638739       0.16138561
Cl       4.07009012       8.26483799       8.08998399      -3.31146507       0.38709575       1.20268145
Cl       8.53505660       1.35983268       1.22246650      -0.29261970       0.88980054       0.71281370
Cl       8.79017110       2.73794659       4.58398976      -3.32095325      -1.57425100      -0.69792460
Cl       8.72884985       2.92242444       7.75951345       0.87009441      -0.09688060       1.15260991
Cl       7.54964959       3.94735507       0.16636525       0.71971124       0.29204182       0.78647955
Cl       9.54108911       4.51429904       2.48325364      -0.07087303       1.60049666       0.10621750
Cl       7.65233492       5.19721256       6.48531871       0.31834236       0.28953938      -0.48203778
Cl       8.52665629       6.88776255       9.23252929       0.75570533       0.58556032       0.79729680
Cl       9.66854354       7.64515815       2.13109857       1.33426395      -2.45089086      -0.73345442
Cl       8.79207325       9.50393032       4.42557653       0.47090696      -0.25172108      -0.57563036
Cl       6.44189824       9.03641233       9.95292033      -0.66558327       1.07012105      -0.67939414
Cl       4.64940321       0.74986000       1.78955441       0.55030943      -0.40769171      -0.04029372
Cl       3.79626255       5.87638346       0.38112638      -1.09436179      -1.27063254       0.99574875
Cl       0.61410910       6.17670748       5.13911982      -2.58490481      -1.35655361      -1.73487139
Cl       2.51544627       5.84492085       7.38074881       2.90908023      -1.57250074      -0.00790381
Cl       0.52336722       4.78343806       9.93010479       0.20494671      -0.96385763       2.84698312
Cl       0.81498349       1.43617579       8.84681409      -0.78230625      -0.40015488      -1.46311108
Cl       1.68374338       8.67220686       0.83062021       1.31819580      -0.78433540      -0.73654376
Cl       2.39633046       9.80946726       5.66210867      -0.67452319       0.20881531       1.84961346
Cl       1.16910344       3.03613197       4.93873587      -1.51897913      -0.43149087       1.22090737
Cl       0.76677475       7.88310188       8.34191111       0.27030214       0.99447324      -1.20040844
Cl       0.64088522       0.59032089       2.89761421       0.50593776       0.42116587       0.54564573
K        3.45314527       1.79947645       4.27520374       0.19305513      -2.42412870      -2.28166250
K        1.62875578       5.73932573       2.30752569       0.15650464       0.57425771      -0.37650439
K        8.09403506       6.55845386       4.23491925      -0.83393769       0.35181757      -1.48522677
K       10.22857838       1.04254353       6.06419265       0.34830369      -0.74254358       0.26556871
K        7.72708433       9.04274598       1.79829403      -1.20697862       1.38620688       1.54705298
K        2.79623468       3.40453245       9.31815695       0.33899534       1.55813350      -0.58987020
K        2.10641173       1.03116147       0.74516014       0.09438702      -0.73532113       1.04926127
K        8.90254199       7.94251070       6.62950179       1.48855596      -1.61411653       0.14288070
K        3.02794758       4.37134978       4.42449693       1.81794790       3.26045011      -1.38391613
K        6.50915215       0.77424558       3.77381717       0.94742969       1.72783901      -0.51416960
K        1.24555965       8.42453646       3.93178828      -1.93297048       1.55712434      -2.52058080
K        6.36225465       2.40167705       6.63471471       2.41119603      -0.27255225      -1.17797338
K        6.43518416       1.60001787       9.65495087      -0.00350482      -0.57559161      -0.40067614
K        5.11696233       3.49446823       1.30680893       1.13054376       0.76557344      -0.41875453
K        4.90230710       5.72375894       6.13606313       0.45860008      -0.87751828      -0.42333964
K        5.87583852       6.47271310       9.19006504       0.05159225       0.02753457       0.57682309
K        9.41138294       9.68503571       9.90343354       0.05116153      -0.60914977      -0.62360049
K        4.37635707       8.11620284       1.73489583      -0.73378317       1.21444362      -0.38605472
K        0.20090524       5.17126104       7.56252252      -2.66470363      -1.22575946      -1.58334312
Li       9.95894552       2.56620801       2.67666646       0.65230752      -1.67236735       0.56279884
Li       8.52293424       5.67623600       0.95327505       0.13429979       1.00086375      -0.02429158
Li       2.88362055       1.25478251       6.96910267       0.07236028       0.35724823      -0.17289181
Li       5.58791447       9.65329548       8.18488593       0.36355732       0.57140621      -0.87942499
Li       1.74500294       7.34998537       6.16128463       1.59140775       1.80550065       1.31950760
Li       9.37861452       4.57051019       5.32126368       0.51223675      -0.66300059      -0.18888199
Li       7.54536203       3.75829150       2.57254166       0.30674129      -0.33088393      -0.00990112
Li       7.97171130       5.03030647       8.59868100      -0.40714408      -1.61149276      -0.32348139
Li       2.13272311       9.46356358       8.58122233       0.77096143       0.67423502       0.27116347
Li       2.88502917       6.87511582       9.19474330      -0.80292086       0.80792851      -0.38963412
Li       0.52407461       6.87081798      10.21089320      -0.71300536       0.77133803       0.77744158
Li       6.94127984       9.26545193       5.46633101      -0.18133399       0.09055678       1.06262028
Li       9.46441698       2.71634432       9.86614109      -0.02038177       0.29988659      -0.06186287
Li       4.31031643       8.33008692       5.90705437       0.25731362       0.63406701      -0.68045291
66
Lattice="10.195 0.0 0.0 0.0 10.195 0.0 0.0 0.0 10.195" Properties=species:S:1:pos:R:3:forces:R:3 energy=-541.98811694 stress="-0.17804156748184652 0.004776340186626197 -0.0040830997188896195 0.004776340186626197 -0.20372497686117777 -0.013084253669568965 -0.0040830997188896195 -0.013084253669568965 -0.18074794953967163" free_energy=-541.98811694 pbc="T T T" config_type=melt 
Cl       1.86663314       9.69471096       5.91461906      -1.22782244      -0.03368076      -0.37172781
Cl       9.09866029       2.75782906       8.58876756      -0.82451573      -0.87923671      -0.24738505
Cl       4.46929430       0.28620831       1.47502280      -1.06606233      -0.13573212       0.99116726
Cl       7.40543390      10.07140500       7.14488029       1.41734374       0.20969376       2.09792849
Cl       4.65553656       0.31137161       5.94631531       1.88725759       1.46396556       0.17463046
Cl       8.30719185       2.45937044       4.21220698      -1.80623387       1.42763110       1.12025959
Cl       3.63521076       3.26145187       6.42160621       1.21317268       0.02760797       1.14234308
Cl       0.85327868       7.58558975       8.24336095      -0.03990711      -0.16489332       1.18071509
Cl       4.08083421       1.25249653       9.04272032       0.13285322      -1.22667963      -1.88976592
Cl       5.14196039       3.38281315       3.51087254       1.43392353       2.36211230      -0.20603505
Cl       6.34124922       6.12891795       2.79666181      -0.59430902       0.16641805      -1.10486907
Cl       8.91193886       1.60054363       1.23360519       1.34370641      -0.74642389       0.31329904
Cl       5.99797337       3.62153927       8.84752685      -1.60650625       1.76909563      -2.55212595
Cl       6.30048961       8.78538833       9.92238570      -0.11449080       0.16312697       0.34424512
Cl       3.72328537       8.38620310       7.65467107       3.08042819       0.15486840       0.98394844
Cl       3.86791164       5.68132687       0.40193074      -0.52475866      -0.52163504       0.67320740
Cl       6.00775038       8.62982282       3.53998946      -0.86032354       1.91705115      -1.05196297
Cl       6.48143047       7.72482287       6.10191140      -0.89986146      -1.61399637       1.83416434
Cl       3.16888127       7.27878142       4.52761989       0.95047978       1.33925026      -1.12654131
Cl       1.10735032       0.49180782       3.12084243       1.65230077      -1.73352645      -1.19304476
Cl       8.70466432       9.80940471       4.50960532       0.84711866      -1.23791446      -1.63477583
Cl       1.01034999       2.71771173       4.91689558       0.89570332      -0.13685727       1.45948371
Cl       1.26329304       1.11863618       8.21782248      -1.57493836       1.79377947       1.27538655
Cl       2.28142691       3.35611244       2.13995089       0.31403134       1.01986834       0.06781384
Cl       0.42568509       4.91705869       9.98023621       0.62980713       2.22440125       1.23880945
Cl       7.26873935       3.95554785       0.99724330       1.54917870       0.60821017       0.56078793
Cl       9.25363448       7.63325137       1.62800897       2.27691494      -2.14448848       1.21254725
Cl       3.02362290       5.75507750       7.43311333       1.32413908      -0.86811505       0.10280735
Cl       0.60792071       6.19993633       5.47476597      -0.09240401      -1.40254418       1.26095892
Cl       8.05172554       4.81346730       6.24258201      -0.15904194       0.16289383       0.22831143
Cl       1.85458265       8.69960759       0.40054116       0.02592277       0.22762300       0.89223253
Cl       9.75035527       4.86600214       3.09690456      -1.93622477      -0.38873556      -1.92552785
Cl       8.18490282       6.69946074       8.97379193       0.50071824      -0.67850564       0.29562504
K        9.69113251       1.10287471       6.29608537      -0.05951325       0.44663821       0.72174444
K        7.88632186       9.47306147       1.88429088      -2.27730754       2.23740646       0.21247949
K        6.90462492       1.27996186       9.55585506       0.12206838      -0.46897521       0.55595825
K        8.37808788       6.95160348       4.43946372      -0.76219931      -0.44962433      -1.58299413
K        1.77703948       1.40546231       0.68490622      -0.28068784      -1.85691044      -0.58988563
K        5.17658262       5.41467665       5.14387706       0.63004875       0.42955993       1.87558961
K        9.41016851       9.49168773       9.49534774      -0.35002879       0.91712000      -0.25254774
K        0.62792636       8.24917211       3.93625892       0.87121613       0.62940703      -1.47400246
K        0.88668362       4.23042544       7.62806212      -1.22928803      -0.22514572      -3.38138951
K        2.56117771       4.81076563       4.50966650       0.61192681      -1.17768896      -0.77065243
K        1.55189310       5.95032195       2.03198584       1.52477536       1.70826894      -0.34635030
K        6.39177564       1.31752024       2.87506137       0.81409502      -1.21833884       0.09016757
K        4.87260850       2.80941576       0.85343874      -1.07533679       1.29403519       0.98236256
K        6.74042425       2.32412357       6.62894193      -0.87570783       1.36446768      -1.04693012
K        9.26956926       7.91202345       6.64606953      -2.24288277       1.31175392       0.15023779
K        5.53818907       6.45865484       8.78553105       0.35541851      -0.26690776      -1.55628859
K        3.45469809       1.82081681       4.25259957      -2.17083298      -2.65007222      -1.70824027
K        4.07868306       7.85908082       1.81774811       0.38001639       0.49151280       0.53017508
K        2.76907414       3.66780418       9.22710709       1.26968699      -0.70507313       0.38614242
Li       9.83440285       4.12753751       4.93815215      -1.66184560       0.62901704       1.25918355
Li      10.03125811       7.06480876      10.11481632       0.98849327      -0.85460143      -1.52574887
Li       7.92173929       4.44375582       9.11311679       0.09082134       0.77152270      -0.56727892
Li       2.81272914       1.42743254       6.81144262       0.26556930      -0.70521156      -0.04392735
Li       6.80952596       9.74040495       5.03168108      -1.16652553       0.12942814       1.43095440
Li       4.68334851       8.64241364       5.26410669      -0.45837889      -1.28443314      -0.22119908
Li       2.17015868       7.46625728       6.66189217      -0.24470077       0.30314301      -1.68675864
Li       7.90503988       6.07114289       1.29858812      -0.46154544      -0.37173486      -0.63604877
Li       2.45940102       9.77345714       8.27909443       0.19483152      -0.69548943       0.89550472
Li       2.73462524       7.18187795       9.09788547       0.27110364      -0.45931129       0.99315228
Li       9.98363726       1.88931701       3.33055358      -0.00329826       0.85081761      -1.00943890
Li       5.47198274       9.73034249       8.02280233      -0.76200661      -0.33877926       0.10456299
Li       7.31308759       4.41423110       3.06835857       0.74315373      -1.77202028       0.99116207
Li       9.55308202       3.49440762       0.53728771      -1.19873873      -1.13841309       1.07339370
66
Lattice="10.166 0.0 0.0 0.0 10.166 0.0 0.0 0.0 10.166" Properties=species:S:1:pos:R:3:forces:R:3 energy=-541.47357146 stress="-0.1853841637769578 -0.001737923412344927 -0.01194530847694167 -0.001737923412344927 -0.19689700090772916 -0.011163263068380933 -0.01194530847694167 -0.011163263068380933 -0.18304382231814426" free_energy=-541.47357146 pbc="T T T" config_type=melt 
Cl       6.33378398       6.48671111       2.89129173      -1.96045109      -0.61274394      -1.59692917
Cl       8.68328890       2.41222914       8.71347175       1.88353621       3.20753465      -0.83633599
Cl       7.86581034       0.23052218       7.56298553      -3.06446415      -0.86161595      -1.04025574
Cl       4.13004933       0.66624914       1.76751159       0.46746871      -2.76604488      -2.55744478
Cl       8.30492055       2.52164580       4.42701852      -0.15646375      -1.76293328      -1.05359318
Cl       5.34160271       0.52140601       5.75863236      -2.18561599      -0.52783714       2.93670366
Cl       9.10368350       1.47995611       1.21114674      -0.53856662       0.77439973       1.67265111
Cl       4.07898551       3.02609289       6.25223232      -3.09356083       0.84230388       0.54511965
Cl       4.06010725       0.72258708       8.87293563       1.28921820       2.19558389       0.43120693
Cl       3.68912957       8.35872918       8.00144511       0.14412147      -1.50139933      -0.32321008
Cl       4.28597543       5.53551916       0.61388611       0.17821131       1.01164373      -0.87116179
Cl       5.43690896       3.73923779       3.63946866      -0.21557739      -1.39914244      -0.89518410
Cl       7.99852747       6.81733993       9.16824776       1.00336164      -0.38235355      -1.53816485
Cl       6.24683418       8.90789650      10.04044990      -1.48840375      -0.36420924      -1.02673496
Cl       5.79409137       3.91681748       8.49138532       0.46536809      -3.34606568       0.73150672
Cl       6.35768424       7.80382824       6.33425161      -0.96554360       0.14062768       0.45562429
Cl       0.83393630       7.86131697       8.17904513       0.11004616       0.55772913       0.16537624
Cl       3.44265490       7.11568153       4.34598533      -0.96069279      -0.04636390       0.57065022
Cl       2.10193233       9.69585300       5.69863263      -0.32834135      -0.97842210       0.39635531
Cl       9.51921875       4.58467285       2.77366094       1.06499623       0.75972592      -0.11396515
Cl       2.20452760       3.35390572       1.83244183      -1.32301778      -0.91104676       0.46721906
Cl       1.02072740       0.23645303       2.99953930      -0.14467005       1.65180365      -0.13457396
Cl       1.02690832       2.86230846       4.98656532       0.63774849      -0.30047439      -0.73506278
Cl       1.42842466       1.58975908       8.20968546      -1.04634919      -1.69922127      -0.57093150
Cl       7.11178796       4.14681306       1.01221744       0.51726919      -0.17945727      -0.77933695
Cl       9.31683402       7.30450482       1.90548454      -0.40958893      -0.75992924      -3.22656454
Cl       8.90967555       9.53156027       4.35794055      -0.52259637      -0.23962305       0.08400640
Cl       0.40676199       6.00565599       5.56956509       0.52773327       0.64269847      -0.54510461
Cl       0.30707826       4.98252942       9.95287998       1.30852914       1.00044040      -1.70101310
Cl       2.83861152       5.44742060       7.85390596      -0.39847510       0.65578276      -1.80014643
Cl       1.66566860       8.39878322       0.73874289       1.02543073       0.59459702      -1.07099405
Cl       7.69318150       5.09232222       6.31931776       1.68178408      -0.25536914       0.17638367
Cl       5.56404495       9.21077214       3.85314782       0.57762908      -2.11406845      -2.83397754
K        7.67851196       9.21381178       1.87937825       0.02753882       1.23320715       1.86692811
K        9.91811226       0.96906887       6.21292040       0.27270577       0.01074553      -0.35479313
K        8.26952253       6.93953525       4.14999502       1.73480624       0.08609335       3.40506499
K        8.88009249       8.14952307       6.86124689       0.62414833      -1.73842248      -1.02701383
K        9.23355415       9.75320957       9.60329157       0.85197032      -0.90214496       0.37214448
K        1.66438769       0.96432236       0.61444321      -0.06676727       0.26753464       0.10356688
K        5.37591296       6.18623465       8.24508347       0.21175234       3.46421432       0.48040664
K        3.25091398       1.33744913       3.88487590      -0.13830171       0.99864239       2.71600736
K        2.95687259       3.35202501       9.29612588      -0.00155323       0.52530548      -0.72763055
K        1.96568759       5.95475483       1.71801334      -0.97912611      -0.23999840       1.30986225
K        2.94576116       4.39562591       4.18884947      -0.54995469       1.22933336       0.40505662
K        0.67328198       3.87885763       7.29795791      -1.03130897       1.36781318       0.88082605
K        4.29052980       7.86737591       1.88045585      -0.20611634       1.69649405      -0.65072777
K        1.03779611       7.92839224       3.37443088       0.80533741       0.03942951       2.50176084
K        6.44066930       1.33238646       2.89080376       1.17981629       0.53419007      -0.08480109
K        5.25094232       5.57409913       5.45620403      -0.59139193      -0.39249893       0.75984712
K        6.52085871       2.54993778       6.23384203       2.21868944       1.62622175       1.68492209
K        4.57817677       2.96616432       0.96106314       2.73319251       0.90711586       0.35885178
K        6.48964909       1.56969140       9.68942809      -0.06976129      -0.43160148       0.96517003
Li       2.55675917       7.03054128       9.23860665       0.05243496      -0.20767541       0.60358551
Li       4.09734530       8.65107285       5.90783874       0.77240246       0.48894050      -1.15752482
Li       7.17002897       9.54123830       5.56325201      -0.68901575       0.84740454      -0.56513742
Li       0.35081646       2.66630798       2.93936674      -0.48832448      -1.15062073      -0.07633083
Li       3.14403882       1.13204510       6.67271842       0.49490687       0.30323673       0.54040754
Li       5.43367617       9.49946621       7.93851757       1.42997921       0.25316438      -0.32718966
Li       8.23546643       4.64149062       8.55147654      -0.52665920      -0.23514664       0.17210586
Li       7.34244433       4.53321255       3.11457775       0.04512590      -0.48403239      -0.16123959
Li       9.29187649       3.71842799       0.67366422      -1.49087590      -1.61185692       0.78901375
Li       2.07620218       7.23459324       6.43999834       0.13221793      -0.15684062      -0.15103656
Li       7.04820979       6.62178676       0.75719011      -0.62447559      -0.71154206       1.26954460
Li       2.35994541       9.83855314       8.77844266      -1.13372215      -1.17445016      -0.39448778
Li       9.27013142       4.18184510       4.84330605       0.94622014       1.13368984       0.91869946
Li      10.01811520       7.17712484       9.99679710      -0.02596362      -0.60249533       0.19202302
66
Lattice="10.0422 0.0 0.0 0.0 10.0422 0.0 0.0 0.0 10.0422" Properties=species:S:1:pos:R:3:forces:R:3 energy=-535.45817138 stress="-0.22111399699061193 -0.0009232491853871896 -0.027145577326102496 -0.0009232491853871896 -0.21299471221194344 -0.0018293370043912702 -0.027145577326102496 -0.0018293370043912702 -0.2099471866728665" free_energy=-535.45817138 pbc="T T T" config_type=melt 
Cl       6.12296031       5.99512310       2.63796543      -2.09517693       1.23569176      -1.57133733
Cl       8.73119079       2.58581629       8.01936953       0.58043485       0.04245710       0.30287952
Cl       7.32183832       9.92877335       7.44945459      -1.03215091       0.55432010      -1.02009335
Cl       4.41294437       1.13014919       1.39042293       0.70094845      -1.80755432       0.43840755
Cl       8.17298506       1.86914464       4.80626722      -1.35361934       0.24717454      -0.20273917
Cl       4.89890651       0.54898498       5.79773362       0.45720317       0.51877255      -1.24721471
Cl       9.25060350       1.10064520       1.19201918      -0.26321336       0.42839723       0.21371434
Cl       3.57588683       3.44958608       6.82756123       1.03046811      -1.74044619      -1.79529710
Cl       4.56599754       1.49311446       8.70927871      -0.19593440      -0.96095119      -0.71017107
Cl       3.70984978       8.39947684       7.15866261       0.44782834      -2.19001991       1.97379578
Cl       3.96761297       5.91405242       0.40798948      -1.51083577       0.66804288       0.84337623
Cl       5.54506183       3.50625421       3.89032820      -2.85497194      -2.89345385       0.92832963
Cl       7.62767352       6.68719136       9.28346158       1.01439210       0.41449480      -0.42685393
Cl       5.17452473       8.44714716       9.51698290       0.83485149       0.68818797       1.63403337
Cl       6.09693093       4.14272885       8.85555339       0.25472431      -1.45499074       1.41760456
Cl       6.05774626       7.77835673       5.77712703       0.60655210       1.03308220      -1.11935217
Cl       0.76624798       7.78014424       7.90180549      -0.55609278      -0.67883162      -0.99663999
Cl       3.25484774       6.94590856       4.04724761      -0.73257091      -1.83176061      -0.48436454
Cl       1.96753812       9.19309182       5.71618092      -1.90081327       2.32679006      -2.79328943
Cl       9.31066590       4.16934068       3.58549721       1.84884768      -0.27222443      -0.83889164
Cl       2.04719285       3.43801747       1.91138214      -0.25806693      -0.49778970       1.90453844
Cl       1.20163961       0.27336174       3.05031825       0.04663710      -0.13097906       0.78693555
Cl       1.13707831       2.42792278       5.35932130      -0.47721028      -1.20819022      -1.51194727
Cl       1.59201005       1.55309653       8.16709029      -0.52336429      -1.36609942       0.67538572
Cl       7.67508274       3.89793014       1.24762284      -0.43945617      -0.21843142      -0.89273574
Cl       9.33129258       7.11378402       1.56090936       0.07855483      -0.79269579       0.94258439
Cl       8.73444446       9.10937000       4.25657727      -1.28738922       0.53874748      -0.12846591
Cl       0.30674603       6.07169488       5.49829530       1.31596142      -0.16724917      -0.10141063
Cl       0.50766735       4.84828378       9.87747779      -0.18011421      -0.12343429      -0.34176792
Cl       2.76819268       5.68886613       7.75374330      -1.01486055       1.63377904       0.70350076
Cl       1.61654315       8.43391154       0.37373152       0.22189866       0.85713761       0.65923162
Cl       7.71200791       4.92804897       6.22561168      -0.04802724       0.81502811       0.11343563
Cl       5.87157392       9.14393525       3.08723338      -0.69923646       0.10076841       2.72668996
K        7.35873336       8.66699101       1.17307959       0.56502532       0.49454874      -1.07536999
K        9.81861042       0.41026404       6.26100039      -0.48096563      -0.34864647       0.99668239
K        8.07745361       6.59195113       4.01056346       1.02663067       0.90916009       0.77969122
K        8.38987650       7.65033876       6.86599273       0.59737910      -1.29061655      -0.73774231
K        9.39619532       9.68484831       8.91625849       0.53672159       0.74110741       1.94199877
K        2.03096465       1.08360359       0.91370262      -1.51281802      -0.46623496      -3.54645048
K        5.26086757       6.20963454       7.87055417       0.82746096       1.66593656      -0.26252230
K        3.33899133       1.37262815       3.82985407       1.25311948       0.83790792      -0.15913250
K        2.96031001       3.57004227       9.53377346       0.14707541      -0.33872445      -1.85304308
K        1.77658569       6.01684438       2.10231449      -0.85272410      -0.04816698      -0.59004574
K        2.66687693       4.17531579       4.44706776       0.36886862       1.87791778      -0.68518753
K        0.79794518       4.06710104       7.32252118       0.49553234       1.10199083       0.73544363
K        3.80935794       8.40466866       1.83250066      -0.11234591       0.01747268      -0.15627329
K        0.75679526       7.99289829       3.63255496       1.01664669      -1.86497811      -0.43071451
K        6.67526123       1.50355835       2.43979266       2.09542768       0.49659968       0.75635552
K        4.99623551       5.56952463       5.37006645      -0.20672399      -1.49281605       0.15583316
K        6.27768049       2.80625262       6.70701466      -0.74519252      -1.85449890      -0.92112255
K        4.91676154       3.57355704       1.22599194       0.67047922       0.90148625       0.70888110
K        7.04687284       1.28548194       9.60093569      -0.95838901       0.83263270       1.25521839
Li       3.15099131       7.55251769       9.20157748       0.04377517      -0.46377817      -0.74490396
Li       4.00589383       8.47803697       4.85937037       1.88015865       2.64377789       1.51691583
Li       7.03520380       0.00672827       4.99142530      -1.25025127      -0.41593441       0.50064613
Li       9.90646862       1.80040578       3.41775231      -0.47924719       0.72042137       0.00193676
Li       2.86118346       1.29223030       6.09078510       0.12899180       0.10851317       1.79662253
Li       5.13863391       9.57569964       7.75973849       1.17108312       1.45686234       0.15300667
Li       8.53543819       4.69315187       8.99983972      -1.06338201      -0.47802449       0.12174532
Li       7.17459958       4.42884117       3.60316144       2.08269163       0.12027701      -0.52464630
Li       9.71627036       3.57027324       1.34188897       0.34597329      -0.50016936       0.56726208
Li       2.15448371       7.03968262       6.23521202      -0.25596516       0.07963326      -0.06212673
Li       5.99881863       5.71659265       0.37225029       1.61072959       0.21106255       0.53577798
Li       2.02174591       9.47659317       8.03143021       0.81541290       0.31137004       0.08882910
Li       9.31306598       3.36284156       5.93792273      -1.27931734       0.26839298      -0.99151798
Li       0.19250897       6.90993740       9.71314723      -0.49805871      -0.00225228       0.04608153
64
Lattice="11.7123701 0.0 0.0 0.0 11.7123701 0.0 0.0 0.0 11.7123701" Properties=species:S:1:pos:R:3:forces:R:3 energy=-546.62778388 stress="-0.01567398972371773 0.0018692354957124588 -0.0009516392264160543 0.0018692354957124588 -0.02510996413735711 0.0029191571012093997 -0.0009516392264160543 0.0029191571012093997 -0.011642510824234842" free_energy=-546.62778388 pbc="T T T" config_type=wetmd 
Cl      11.27189995      10.46670004       4.92731001       0.41408833      -0.31727075      -0.94547679
Cl       9.74125996       1.01835006       6.54491996      -0.67602167       0.16319939       0.19084182
Cl       2.55413997       3.57876001       1.13739002       0.24514742       0.02933047       0.60986872
Cl       3.41568997       0.32892985       9.30398003       0.04194517      -0.84384311       0.05107479
Cl      10.03179995       3.18088002       1.93588003      -0.31601688      -1.82572151       0.93764777
Cl      10.93749996       8.05983996       0.08492991       1.05599842      -0.79685561       1.17164746
Cl       5.10423004       3.23338997       4.31617001      -0.19016608      -0.68535520      -0.30921380
Cl       2.47148999       6.92054001      10.68879996      -0.17269639       0.25356295       0.78709235
Cl       9.78877002       4.72571002       6.29915005       0.75426270       0.05140876      -0.36408482
Cl       8.27498004       9.97797996      11.02629998      -0.40644579       0.58565358       1.04525798
Cl       6.99473998       3.97705005       6.91658005      -0.73553794       0.62880313       0.34125396
Cl       4.97157000      11.45060003       5.60837999       0.23462673       0.11079968      -0.56504338
Cl      11.13859995       3.41297001      10.01949997      -0.35841503      -0.02393625       1.04276656
Cl       3.11525995       8.79444005       6.71673001      -0.46056480       0.64740176       0.18088487
Cl       5.32855004       9.00152998       2.69899002       0.28150804       0.38456337       0.44659492
Cl       4.89490996       6.65086995       8.31861998       0.52745230      -0.53857488      -0.02426460
Cl       9.64347995       7.74272004       3.08344997      -0.72876602      -0.12019889       0.34118472
Cl      10.44119999       7.84538998       7.29003003       0.16674079       0.11099580       0.11569040
Cl       7.37713001       2.30388996      10.73120003      -1.13758115       0.37947472      -1.06871687
Cl       6.44744002      10.28809998       8.44414004       0.03215746      -0.39253010      -0.03152706
Cl       7.13356998       7.44036006       5.49853998      -0.16427468      -0.13895114       0.44676873
Cl       4.62624997       0.54266105       2.16786999      -0.78009810      -0.23873232      -0.46327582
Cl       6.80519998       5.88806999       2.09325997      -0.17411546      -0.45714289       0.21308855
Cl      10.82190003      11.33670005       9.67606001       0.69488298       0.30225367      -0.12150255
Cl       0.86618704       6.77357998       3.35876000       0.62393817       0.52863259       0.05724735
Cl       3.88819005       2.91304002       7.77082997       0.09902614       0.42885492       0.83344566
Cl       8.25848000       0.29402992       3.10918006      -0.51382943      -0.28536534      -0.15390262
Cl       1.77309003       1.52194004       4.99518003       0.42148182       0.20097314      -0.37206285
Cl       1.52721002       5.31031001       7.07801997       0.04747561       0.51774406       0.19267215
Cl       7.94156997       5.76780995      10.02209999       0.34211434      -0.27283143      -0.33159153
Cl       3.91676004       6.33230999       4.84445998       0.21844815      -0.14376658      -0.11139803
Cl       0.75802986      11.24140000       1.66451999      -0.57358884       0.11370841       0.10206911
K        1.14732995      10.84939998       7.59565999      -0.71379731       0.12711832      -0.23492481
K        8.71959004       9.98655998       6.45063995       0.23885794       0.01072628      -0.02441914
K        9.23182000       0.83327599       0.22447905       1.31621304      -0.51105719       0.03722241
K        8.51226000       2.78793996       4.69569004      -0.22654053       0.11218340      -0.35457002
K        3.87545004       6.54359998       1.85113002      -0.60362494      -0.05320893      -0.00496763
K       11.34270006       6.21448999       9.58933998       0.09144639       0.12411452      -0.63058796
K        2.61297004      10.24920004       3.76048001      -0.31631015       0.13602866       0.13453091
K        9.90456004       5.46204998       0.76187304      -0.44000164       1.28820087      -0.58237420
K        6.71520002       1.34747995       7.57549000       0.18447540      -0.51804327       0.36809685
K        0.42958502       3.99033996       3.56723996       0.52013092      -0.12407714       0.55098933
K        4.08210005       4.60244997      10.58070005       0.40221091      -0.45177500      -0.65733599
K        6.39878999       2.60623004       1.64493000       0.46041149       0.96771568       0.40678019
K        6.54133001       8.07078002      10.44190003      -0.83347766      -0.33956863       0.13701217
K        1.42529003       1.49662000      11.13829999      -0.47127765      -0.35481817      -0.13270156
K        5.60269996      11.37220001      11.21889996       0.05977644      -0.06802562      -0.19323641
K       11.64230003       2.92668001       7.41157995       0.62091038      -0.57461473      -0.47791833
Li       7.90157996       3.78765001       9.03996998       0.43620327       0.04702732       0.08914297
Li      10.52820006       0.32832994       3.17446996       0.75351098      -0.37658462       0.51684625
Li       1.82438998       6.92325997       5.52652997      -0.41817401       0.11621440      -0.07724958
Li       7.48478004       8.04461001       3.39683001      -0.28488123      -0.21788958      -0.75213064
Li       3.95401006       1.82296001       5.99022996      -0.39495110      -0.06332868      -1.01835030
Li      11.27599998       9.10381996       2.37367003       0.25722296      -0.07489298      -0.08459999
Li       7.02393997       6.14574998       7.55474002       0.35159241       0.07648560       0.09435067
Li       6.07363000      11.33010001       3.49101995       0.17662144      -0.45838971       0.21632763
Li       4.94474996       8.35803995       5.42176001       0.26441061      -0.21443532      -0.11345354
Li       2.98336004       7.59997003       8.76304000      -0.16182986       0.11233612      -0.65509334
Li       5.84122999       5.30889001       4.43836002       0.52097020       0.29887169      -0.11774642
Li       3.13223000       2.05994003       2.84561003      -0.12638966       0.23841195       0.43710154
Li      10.24199998       9.34126004      10.47950002      -0.25832555       1.18985571      -1.27867988
Li       9.79330997       6.42530001       5.04381002       0.21827072       1.13001030       0.11173269
Li       4.52509000      10.79500000       7.65940996      -0.60189476      -0.28829556       0.32741211
Li       3.73314006       4.93850000       6.98678997       0.16506422       0.35741996      -0.28224311
64
Lattice="12.59814578 0.0 0.0 0.0 12.59814578 0.0 0.0 0.0 12.59814578" Properties=species:S:1:pos:R:3:forces:R:3 energy=-547.16933452 stress="0.0005642141810486717 -0.0005883515573515976 0.0024111751038228607 -0.0005883515573515976 -0.0042775883451463236 -8.387730057682291e-05 0.0024111751038228607 -8.387730057682291e-05 -0.0027924686216966674" free_energy=-547.16933452 pbc="T T T" config_type=wetmd 
Cl      11.98050001       9.29136004       2.68963005      -0.88428425       0.10032642      -0.26057184
Cl       9.32789000       6.85013997       3.97567006      -0.38907528       1.19570102       0.04619961
Cl       5.59336999       1.87177001       1.25979996      -0.09158485      -0.59345591      -0.18979165
Cl       1.89024003       0.18993204      11.31350000       0.05061949      -0.32705799       0.27958225
Cl      11.27140003       2.43470997       0.41189499      -0.28747593       0.23263971       0.53223659
Cl      10.80030005       9.48137006      11.57889998      -0.65740775       0.04545319      -0.13971066
Cl       8.87674007       2.07685006       3.86810004      -0.46431455      -0.42929850       0.29721240
Cl      11.25930001       6.42525995       0.72729700       0.59852718      -0.87586090       0.02655204
Cl       8.52907004       4.86481002       6.31117001      -0.38648924       0.15840733      -0.46387409
Cl       6.40638994       9.77698000      10.63899994       0.17831565      -0.45250032       0.42129574
Cl       5.00994999       6.00071000       5.97833997       0.44556112      -0.70840758       0.82573106
Cl       7.49468001       0.57058098       8.44937997       0.18460455      -0.66847028      -0.10741299
Cl      11.48410006       4.86117999       8.15390003       0.03264766      -0.36805719      -0.16181737
Cl       4.64764999      10.32069998       7.00538995      -0.54962555      -0.20044638       1.09802434
Cl       1.46716998       9.41359997      12.37919996       1.05126111      -0.03973281       0.42107405
Cl       3.64908996       7.33328000       9.33004000      -0.29313821      -0.63207976       0.21905720
Cl       8.05236994       9.49417998       1.63422996       0.02910622       0.14208752       0.43134392
Cl      12.22800004       8.41662996       7.79550005      -0.45734610      -0.00491511       0.03207920
Cl       5.78913006       4.40961999      10.24870006       0.31870053       0.18365104       0.33556504
Cl       7.63196994       8.28404997       7.28624999       0.01391345       0.07998006       1.02320287
Cl       6.20330997       8.53415995       4.18936006      -0.68402261      -0.45516291      -0.22977319
Cl       5.65739994      11.86759997       4.52544999      -0.27792744       0.39131409      -0.86440746
Cl       6.22896005       4.98330995       2.39438998      -0.06984917       0.30072852       0.78000823
Cl      11.53789994      12.46030002       7.86677003       0.05710912      -0.05892777       0.27312238
Cl      12.46579999       5.60231001       4.75623001      -0.32996598       0.13339327       0.10403166
Cl       3.12856003       3.28466995       8.32139994       0.12513691       0.12174836      -0.14589131
Cl       8.69977001      11.08340004       5.22085000      -0.18637017       0.00576231       0.41802612
Cl       5.56175003       2.45161996       5.38378006      -0.03469996       0.30718563       0.27348771
Cl       2.37886995       8.31438996       5.13021995      -0.42609287       0.20842039      -0.12889019
Cl       8.01511999       6.40175005       0.22756006       0.34751925       0.34034966      -0.72870253
Cl       2.71349005       6.90239003       2.34817003       0.21356383      -0.51661866      -0.56982670
Cl       0.82053399       0.71631394       4.32123997       0.15457249      -0.03322666      -0.21687121
K       11.46189999      10.46500002       5.42074995       0.62790688       0.13241433       0.35056871
K        9.18143995      10.17949996       8.85376999       0.21664045       0.63943888      -0.02826981
K       12.30039994      11.58760000       1.04576994       0.08117700       0.71337070      -0.14169560
K       11.54139996       2.61192997       5.58964006      -0.23056641      -0.15747282       0.51345580
K        4.99553002       7.10634002       0.20293194      -0.21264913      -0.26156373      -0.38494187
K       11.01240004       6.68920005      10.30720006       0.00414194      -0.00875127      -0.27754916
K        3.36043999       0.53025495       6.30950000      -0.17925673       0.20794378       0.05639481
K        9.57886005       4.54787998       2.60847997       0.22331634      -0.98454290      -0.67469456
K        6.99221002       3.18777005       7.87123002      -0.28411108       0.12373277       0.24470811
K        0.89385003       4.13751000       2.63331999       0.33108463      -0.37527223      -0.64972305
K        3.99186006       2.11133005      11.19580006       0.14122672       0.40920851      -0.28747724
K        7.76864004       3.05660005      12.08569995       0.12207853       0.07339582       0.26615745
K        1.86956005       6.28561996       7.10257998      -0.48574218      -0.33955916       0.32500435
K        0.87618403      10.27180002       9.76455004      -0.03550063       0.22854396      -0.64706624
K        4.40415000      11.10930006       0.33417199      -0.09669765       0.16332450      -0.19219380
K       12.13699998       1.67700003      10.46300006       0.00085309       0.10324439      -0.94791651
Li      10.42930003       6.07226003       6.17928002       0.61680330      -0.01136988       0.20105671
Li      10.02270004       7.72769002       1.95851001       0.01634531       0.80038516       0.36042882
Li      12.33239999       8.24865006       0.28137303       0.01194713       0.43109035       0.26699419
Li       7.53094995       6.92625999       2.34692004      -0.32470607       0.27803371       0.48917099
Li       4.22145006       6.88533995       4.20348006      -0.50948829       0.40279114      -0.68440981
Li       7.22023003      10.49090004       3.64313003       0.34555030       0.09381025      -0.42281774
Li       5.41243000       8.36241006       8.81796997       0.68124876       0.92398823      -0.27051725
Li       7.63606006       0.48054405       6.08046004       0.05283110      -0.15883486      -0.14264286
Li       4.01328006       9.65019995       4.97976999       0.57946360       0.45199100       0.03202436
Li       0.80942003       7.89647003       3.27531003       0.94733613      -0.85761127       0.66391807
Li       6.42580003       4.47713006       4.68770995       0.00681576      -0.24582745       0.01691943
Li       6.34402005       1.57689000       3.54294996       0.30225185      -0.23102926      -0.63966512
Li       8.38033004       8.79561002      12.23310002      -0.07742916      -0.03312263      -0.69426262
Li       7.30418005       6.92127994       5.70858999       0.06173852      -0.38581197      -0.41254341
Li       6.59819004       9.94279995       6.15433002       0.47517160       0.22715952      -0.17795476
Li       4.73109998       5.17174004       8.35557997      -0.74127022       0.06397265       0.25924840
64
Lattice="12.30155708 0.0 0.0 0.0 12.30155708 0.0 0.0 0.0 12.30155708" Properties=species:S:1:pos:R:3:forces:R:3 energy=-547.35476515 stress="-0.0030279113095394387 -0.00012685093975377026 -0.0031511459126641627 -0.00012685093975377026 -0.006014914719694305 0.0009989547152428402 -0.0031511459126641627 0.0009989547152428402 -0.0037320278503467225" free_energy=-547.35476515 pbc="T T T" config_type=wetmd 
Cl       8.52121995       9.36475002      11.69090004      -0.37177023       0.61440931       0.07526858
Cl       6.87994005       6.98687995       6.05375997       0.53125277       0.28908053       0.73468901
Cl       1.67415999       0.53822904       7.64671000      -0.63867422      -1.03410494      -0.47870610
Cl       1.09145996       2.26378002      11.34690003      -0.60124832      -0.44298770      -0.02479947
Cl      10.85259997       5.28826003       0.83034194      -1.17815277      -0.61942298      -0.21082820
Cl       9.75577998       0.97960805      12.28209995      -0.15975608       0.13977241       0.32898407
Cl       3.29994005       6.25728001       6.65674995      -0.22634334      -0.24953942      -0.07838516
Cl       9.07916998       8.23128996       3.21470994       0.02906731      -0.15445446       0.20585373
Cl      12.24959998      11.83770005       3.22457997       0.25514162       0.26414431       0.57675924
Cl       9.36382998      11.51319999       8.91728998       0.74468133      -0.41992713       0.44450054
Cl       5.44150004       3.12976006       6.08332000       0.28610503       0.41436651       0.13847162
Cl       5.19509001       1.87058006       9.48123998       0.21065248      -0.07336001      -0.20718800
Cl       9.39083006       3.01866999       7.87031996      -0.46566645      -0.05383763      -0.21568134
Cl       4.60243998       8.44083001       0.41988794       0.03166919       0.42260729       0.06277076
Cl       0.40425906      10.81779998      11.56479997       0.02458349      -0.24101773      -0.04649805
Cl       7.54891004       5.71618999       9.99902002      -0.00858822       0.22178835      -0.59372436
Cl       6.81748997      11.14489998       2.45565995       0.55117974      -0.43437680      -0.82246838
Cl       2.06169004       9.33581995       8.24006995       0.06741750      -0.43728081       0.41219124
Cl       6.68606997       3.41232006       0.26062103       0.38678823      -0.19094581       1.10446467
Cl       8.91005002      11.52869995       5.19767001       0.44162844      -0.05919019       0.29334542
Cl       3.73378005      11.13180005       4.39477998      -0.17985132      -0.00594689      -0.04662882
Cl       5.76083997      10.77170001       7.87926996      -0.00942255      -0.36569697      -0.23491178
Cl       5.00798000       5.64752996       3.16512003       0.25897186       0.00945888      -0.07406647
Cl       0.81330502       8.76004004       5.08318004      -0.19262566       0.77350677      -0.57409203
Cl       4.00484006       5.46989006      10.73150000      -0.66484339       0.26121105       0.11668293
Cl       0.26158105       4.69921006       8.28797996      -0.09490898      -0.01778263      -0.67769591
Cl       3.83518006      11.93529999       0.46232302      -0.93834564       1.36573356      -0.42285154
Cl       9.93283002       3.27861001       3.95739996      -0.49876572       0.49575583      -1.08735909
Cl       2.54222994       2.19422000       3.17162005      -0.23954533      -0.24743848       0.15381924
Cl      11.10449994       8.00296002      10.43379998       0.93844118      -0.84352907      -0.33853451
Cl       2.02184001       5.33070003       1.61726000      -0.31608317       0.30919046      -0.41161723
Cl      10.80309998       6.58834997       5.77800003       0.32181583      -0.22034050       1.72222883
K       11.76819995       5.82292999       3.35853003       0.53859372       0.20862288      -0.19562025
K       11.88449997       2.24794004       1.62568005       0.33998299       0.07892117      -0.14541064
K        6.25105001       9.52835999       4.73200995       0.06041400      -0.06478556       0.10167591
K       11.02730004       1.54810999       5.73308999       0.13195818      -0.41469055       0.68138349
K        5.07612005       7.44158006       8.66917004       0.02622131       0.37075734       0.26586298
K        7.80270999       6.92862002       0.76183506      -0.00218577       0.01982981      -0.10068717
K       11.27830003       1.46553997       9.56773998      -0.01472765      -0.11127828       0.14093300
K       10.01720000      10.84280006       1.83103006      -0.86537594      -0.34367964      -0.50953386
K        9.02306996       8.24756996       8.48106004      -0.32431083       0.01846346       0.14570838
K        3.68818002       2.68615004      11.66750001       0.39541245       0.04667683       1.06720080
K        6.80739002       0.50622494      11.77809999       0.54207944      -0.15152194      -0.35516827
K        1.93961997       9.88371002       1.76633999       0.17009882      -0.21914489       0.08557993
K        2.68251001       2.98603999       7.27300002       0.49269860       1.10890618       0.00930602
K        6.57887998       1.26598006       3.51507005      -0.25320515       1.18745073       0.80901022
K        3.32610005      11.58589997       9.87621997      -0.15323667       0.06043952      -0.18413819
K        0.64582695       5.03197001      11.07590005      -0.01730047       0.64458770       0.19413227
Li      10.40289995       4.92936001       7.33565997       0.36368497      -0.18883799       0.22440920
Li       3.21022996       4.23392999       3.07433995       0.48330702       0.39697362       0.18727999
Li       0.88150399       8.86626005      10.30550003      -0.14301808       0.39726423      -0.30416246
Li       8.90637001       7.06576995       5.18800000      -0.79944277       0.27459767      -0.94928496
Li       5.94921999       4.63944996      10.97470006       0.37937292       0.04451711      -0.16712496
Li       4.03300004       6.34491003       0.89217006      -0.12299579      -0.25304754       0.23351240
Li       7.88318997      11.58640003       7.44245999      -0.54057667       0.19281869      -0.55305538
Li       2.02173003       0.17265100       3.88148004       0.28542566       0.12062917       0.07851050
Li       5.21045994       5.67828004       5.69543997      -0.29583893      -0.89642454      -0.76100904
Li       1.22792002       7.22201006       6.64861001      -0.00161422       0.04069414       0.37877230
Li       2.89472996      10.72970004       6.47847000      -0.20849905      -0.00076346       0.34953610
Li       5.30327999      10.73600003       1.01135000       0.71407423      -1.85857351       0.35203381
Li      10.50629995      10.08879998      10.75920003      -0.21702627       0.54547573       0.11604742
Li       8.98210000       3.83192999       1.78049994       0.27900158      -0.02311921      -0.32757127
Li      11.39030005      10.61540000       5.02800005      -0.05070260      -0.63582156      -0.03246181
Li       6.37238998       3.39598999       8.36700000       0.51292636      -0.06578241      -0.65965991
64
Lattice="12.43470679 0.0 0.0 0.0 12.43470679 0.0 0.0 0.0 12.43470679" Properties=species:S:1:pos:R:3:forces:R:3 energy=-548.58910838 stress="-0.0020106188969300433 -0.00020051148283488924 -0.00036274561896291026 -0.00020051148283488924 -0.00035386931293311755 0.0018962691382195958 -0.00036274561896291026 0.0018962691382195958 0.0008701506949364169" free_energy=-548.58910838 pbc="T T T" config_type=wetmd 
Cl      11.06660006       9.07949997      11.99350002      -1.05296932      -0.36191385       0.21898630
Cl       4.02465998       2.43309000       8.08865006      -0.00365919       0.62843023       0.00456896
Cl       0.52987096       1.51276999       3.30189003       0.14591115      -0.59272334       0.28410042
Cl       1.58377006       8.78116997       8.43626005      -0.41730056      -0.70789075      -0.10266673
Cl       0.13038897       8.75843000       3.46370001       0.34644609      -0.06813112       0.01647704
Cl      10.33870005       5.48398995      12.04989999      -0.07063557      -0.14551528      -0.02023362
Cl       5.45407006       5.59653002       5.96670999       0.21439425      -0.22093010       0.15453513
Cl       6.84106001       9.79230996       3.74608996      -0.04798253       0.35712152      -0.40560721
Cl       1.62156995      11.46399998       0.74077204      -0.03256761      -0.14071861      -0.36444356
Cl       6.63797004       0.38835604       6.03453000       0.30143689       0.45118482       0.28690284
Cl       8.95553999       6.04210995       8.91866002      -0.45457242       0.03364134       0.08552151
Cl       6.16714006      11.90439999       9.84339000      -0.17547886      -0.34667703       0.56864501
Cl       8.46985005       1.94655996      11.19740000       0.54419019       0.35655454      -0.31771359
Cl       8.11249000       0.00539318       1.35653997       0.13882240      -0.60712574       0.59710021
Cl       1.40795002       4.25656004      10.49649997      -0.37733289       0.34350735       0.09650434
Cl       7.19147005       7.59171006       0.00589318       0.09014830      -0.28814233      -0.52093408
Cl       3.86580995       7.73869003       2.62427001       0.50046139      -0.14521748       0.17367623
Cl      11.81120000      12.42430006       9.53953003       0.13557940       0.16537914      -0.11786862
Cl       6.78873998       3.76279997       1.55794006      -0.52455665       0.88905742       0.58314774
Cl       9.96653997       3.25990996       2.54369000       0.11999730       0.02795175      -0.05321263
Cl       3.41889005      11.16840002       4.03213000      -2.14532995      -0.94980864      -0.94017997
Cl      10.56390006       3.02713996       6.40932003       0.28624620       0.03007856       0.08958026
Cl       3.05238005      11.88930003       7.24718002       0.91181990      -0.11131274      -0.06194312
Cl       1.91651995       5.23697997       6.85198004      -0.58358880      -0.16839339       0.34532214
Cl       4.96537004       2.83700994      11.28690004       0.43078739      -0.79297605       1.04702777
Cl      10.26200005      11.76830002       4.85880995      -0.29376631       0.31102433      -0.03007829
Cl       2.52429994       8.36161997      11.89390000       0.14836819      -0.21228529      -0.04366138
Cl       8.50471000       6.98015004       5.31450005       0.26348147      -0.33644158       0.49074554
Cl       4.68568004       1.09269998       2.30056997      -0.17106558      -0.92336320       0.40218614
Cl       4.50114998       5.82552994       9.45959998       0.00175341       0.39513041       0.32267211
Cl       2.52159999       3.86604994       1.93255998       0.28190230       0.38511929      -0.19542107
Cl       6.60631998       8.95544997       7.49166998      -0.26987969      -0.07085615      -0.19888515
K        0.09889322       2.68630005       0.55837404      -0.15564021      -0.04256425      -0.00134653
K       10.99960000       3.60498999       9.64263004      -0.26765425      -0.44590088      -0.14989918
K        6.28629999      10.18309997       0.78069404      -0.33741129       0.22941592       0.12430944
K        0.55999205      11.41610000       6.05804006      -0.16527422      -0.27725258      -0.05394347
K        4.26906998       5.90148996       0.35461297      -0.07083586       0.19757747       0.02021512
K        8.26106995       6.61426003       2.57199003       0.17232611      -0.44033648      -0.69157266
K        9.00931003      11.92499995       8.00908000       0.05345802      -0.00426443       0.06950511
K       11.33880002      11.13540005       2.12188995      -0.06776533      -0.05733606      -0.30147637
K       12.32014783       6.35873999       1.56633995       0.38443352       0.28196940       0.07532336
K        2.51793996      12.34888157       9.92059000      -0.45764615       0.25212288       0.51024394
K        4.27854995       9.02886995       9.36897994       0.39499657       0.21628950       0.05157414
K        3.23886994       7.29936003       5.44231006      -0.56749604       0.88645067      -0.17788890
K       11.21530000       6.34688002       7.09506003       0.14038236       0.09772722      -0.53526331
K        7.79189006       3.63591001       6.00431006      -0.15499771      -0.06524454      -0.25247181
K        2.96012995       2.52348995       4.95318005       0.05420240       0.01882526      -0.00297310
K        7.32733998       4.65214997      11.31659996       0.32149632       0.37472798      -0.45906457
Li       6.86522997       6.73831004       7.59609006       0.40098120       0.09094401      -0.07559498
Li       5.13322005      11.74470006       4.84766994       1.25237180       0.14719017       0.47013551
Li       3.49938003       3.75720995      10.21299997      -0.33952839       0.13524722      -1.00151923
Li       6.48110994       7.98648004       4.83218003       0.11144512      -0.22272767       0.89348910
Li       4.71677004       2.87666994       1.27747998      -0.29985454       0.63167564      -0.32832387
Li       9.43172995       7.45655996      11.01559998       0.08517466      -0.10746936       0.31394868
Li      10.88230005       1.98180999       4.16408002      -0.07685671      -0.02552461       0.43944546
Li       2.37043002       0.25395700       2.44606997       0.48430636       0.12694809       0.21433160
Li       3.94631995       4.70211001       7.61883998       0.28327182      -0.28650069      -0.37553143
Li       2.06229003       6.33333004       9.21849997      -0.07149336       0.19302881      -0.08461850
Li       5.29598999       0.50681403       8.12337994      -0.31564167      -0.00998156      -0.83132703
Li       2.60817005       9.52701997       2.22465994      -0.44638040       0.19694101       0.08153940
Li       0.60454199       9.49461002      11.50770002       0.77824788       0.30989950      -0.28454884
Li       8.27167999       2.22315000       1.17642000       0.64574636      -0.02933333      -0.00601822
Li       8.28039000      11.49380001       3.71960006      -0.03533691       0.40328847       0.02163115
Li       6.49707996       0.99769596      11.55569998       0.02591226       0.04040919      -0.06716065
64
Lattice="11.82203844 0.0 0.0 0.0 11.82203844 0.0 0.0 0.0 11.82203844" Properties=species:S:1:pos:R:3:forces:R:3 energy=-548.06033119 stress="-0.01833770548051677 -0.005623095433449481 0.004426150524190697 -0.005623095433449481 -0.0195865043045821 -0.0014146148499335287 0.004426150524190697 -0.0014146148499335287 -0.016112818496321426" free_energy=-548.06033119 pbc="T T T" config_type=wetmd 
Cl       3.78552996      11.38590003       8.30948998       0.86856322      -0.34009582       0.60727555
Cl       3.77628005       5.05191003      10.70299998       0.04346051       0.10346458       0.25749883
Cl       5.85896005       2.45865995       9.38305000      -0.12494262      -0.60911041       0.21600815
Cl       3.27542000       6.96618001       4.11302998      -0.57954104      -0.35319718      -0.10507441
Cl      11.51590002       6.28759004       8.36119000       0.08343784       0.16993458      -0.36862314
Cl      10.57300000       9.90882996       0.13838996       0.15095000      -0.49600881       0.02178061
Cl       8.02012999       4.07621001       5.55184004      -0.41802622       0.91435787      -0.07284997
Cl       3.25614003       8.23190998       8.24689997       0.25754678      -0.21354806       0.12327865
Cl       1.61288000       1.13644995       2.57662002       0.18955092      -0.29590561      -0.09995835
Cl       5.36944005       5.37252998       7.51927999      -0.00183535       0.31518476      -0.08609782
Cl       8.33995999       4.74528005       9.40741995       0.00380553       0.14135497      -0.19373547
Cl       4.49288000      10.40790003       3.07124997      -0.32418585       0.08489797      -0.62326127
Cl       4.83208998       1.97873000       5.72357004       1.06608385      -0.01860815      -0.87383252
Cl       8.80201999       1.55700999      11.75038956       1.05483521      -0.85996212      -0.62103265
Cl       8.06844997       1.31441005       7.17537003       0.81345933       0.00272694       0.31922717
Cl       5.96444006       7.53996005      10.59469994       0.39363289       0.21898864       1.09506499
Cl      11.10709996       9.22564003       4.67978004      -0.08958278      -0.43854897      -0.18407400
Cl       7.33611004       4.13187999       0.86720799      -0.05899144       0.79373799       0.15912535
Cl       6.30738994      10.93410003      11.79299997      -0.13758269      -0.47654417      -0.21229864
Cl      11.26380001       4.15237999      11.75720000       0.02163221       0.17249015      -0.14246360
Cl       1.84590006       0.40581500       5.86022997      -0.27168417       0.12264722      -0.46487255
Cl      10.68089998       2.80327001       4.40017997       0.09961327      -0.34118213       0.26272961
Cl       8.14866995       7.06262999       3.14336996      -0.45951460      -1.24979912       0.31155271
Cl       2.73014999       9.26270000      11.60020002       0.22934556       0.08565882       1.07100877
Cl       3.20379003       1.21164001      11.32089998      -0.49096646      -0.10934352      -0.32426327
Cl       7.76025995       0.47206156       3.61597001       1.24406811      -0.09427508      -0.65881028
Cl       6.10594997      10.58240006       6.33817004       0.47573484      -0.14151958      -1.03417116
Cl       9.18086998       9.31770002       8.51175998       1.00714718      -1.49529421      -0.75329072
Cl       2.25063996       3.87635005       4.36660006      -0.04308567       0.47758497      -0.00740519
Cl       1.99477995       2.81363995       8.32549005       0.92254729       1.10170296      -0.27430969
Cl       5.26425004       2.00152998       1.87726002      -0.44813681      -0.18979603       0.50058859
Cl       0.12936159       0.58672800       8.78442004      -2.30626567      -0.72033390       1.07889380
K        9.66897995       7.07120996      10.55180001      -0.11474828       0.26547780       0.09401088
K       10.95970006       3.51246996       8.27391995      -0.36659943      -0.50375015       0.09520926
K        5.14405998       4.69278996       4.66163002       0.43491522      -0.01014318      -0.25341833
K        0.08566154       0.76691301       0.29476160      -0.46362792       0.09981529      -0.69585349
K        9.72588995       4.66692003       2.41681006      -0.05313919       0.00231707       0.21478121
K        8.41988004      11.46409998       9.68277001      -0.17086044       1.18587306       0.68450859
K       10.65730000      11.37309996       6.58325000      -0.33903025      -0.27712448      -0.61817349
K        0.91155494       9.04743995       2.29731998       0.20284127       0.20955656       0.03158421
K        4.84324999       7.66775002       1.98703002       0.59295962       0.21506492      -0.92511685
K        6.51630002       8.56272999       8.11723999      -0.03119915      -0.52644755      -0.70640801
K        8.42584000       9.45360003       2.19802999       0.14516358       1.78932533      -0.28022749
K        3.64732005       9.29344002       5.53513999      -0.43901833       0.81027630       0.66452958
K        0.80594300       8.61504996       9.75657003      -0.58841356       0.38116936      -0.44440154
K        2.25546004       4.01852000       1.07773001      -0.02394578      -0.40241434       0.45857484
K        2.27787994       5.85663004       6.90811004       0.03446557      -0.46945444      -0.19456919
K        9.79808004       6.46483999       5.55849005       0.11694296       0.43686371       0.37463756
Li       5.74751996       0.12636151       4.00528002      -0.63202977       0.18042662       0.69642243
Li       3.47976996       1.47136003       7.18304999      -0.86381507      -0.07754068       0.16717878
Li       6.48889003       5.33974002      10.98740004      -0.27086434      -0.43897619      -0.35873745
Li       4.55368003       9.87110004      10.50079998       0.01279551       0.18525069      -0.07527772
Li       3.00822999       1.77800999       4.18026002       0.40720755      -0.36316135       0.25130217
Li       5.79797003       1.26417999      11.53070003      -0.41780401       0.39090181      -0.38042909
Li       8.50966003       2.01959997       4.99789998       0.20531766      -0.01600638       0.23200103
Li       5.98071002       0.53974096       7.59182995      -0.34127297       0.42057121      -0.03795141
Li       7.10718997       3.60328000       7.68003997      -0.14276332       0.01829204      -0.00446163
Li       4.49473003       6.59982000       9.20012997      -0.33560202      -0.29781840       0.04437912
Li       3.53429001       0.21576154       1.56466003       0.23455719       0.00081657       0.09010508
Li       2.10221001       0.61601096       9.02250999       0.77577829       0.24062508       0.74720841
Li       3.66784003       2.91224000       9.90188995       0.17801515       0.30661516      -0.16230571
Li       7.57802996       1.64877998       1.56497000      -0.73865618       0.15557767       1.29333644
Li       9.06796005       3.60675001      11.20139998      -0.07590070       0.30831585       0.02624723
Li       0.85479296       2.40802002       5.18409000      -0.10274205      -0.48195451       0.04770647
64
Lattice="11.76714118 0.0 0.0 0.0 11.76714118 0.0 0.0 0.0 11.76714118" Properties=species:S:1:pos:R:3:forces:R:3 energy=-547.54127828 stress="-0.01347788780566383 0.0013561231713112264 0.000673895228517867 0.0013561231713112264 -0.017573363226297305 -0.001590824542632098 0.000673895228517867 -0.001590824542632098 -0.014204030345066936" free_energy=-547.54127828 pbc="T T T" config_type=wetmd 
Cl       2.99520000       1.84497995      11.08160001       0.32966434      -0.02008740       0.11774676
Cl       3.51361999       5.62772999       0.90821502       0.07017121      -0.00102953      -0.20581743
Cl       7.63365996       2.36553003       7.54507998       0.56108700       0.54562139       0.42806910
Cl       3.06993005       4.98204001       5.18913005       0.14343867      -0.10964110       0.14159442
Cl       0.32615880       5.74727003       7.17097997      -0.02100761      -0.79656375      -0.33885615
Cl       9.90077998       7.96286998       1.42880005      -0.32913741      -0.02061778      -0.19229882
Cl      10.55060000       3.73844005       2.94999005      -0.52041746      -0.56606784       0.08833972
Cl       1.91902998       8.71477994       6.79378002       0.53720812       1.09998490      -0.08414026
Cl       9.30973001       9.78852004       3.96920004      -1.46197580       0.44268498       1.13611642
Cl       5.03102003       5.61845996       9.63738994      -0.20257674       0.09600989       0.25945338
Cl       8.93788000       5.45075996       9.29819998      -0.34735799      -0.05519692       0.15031650
Cl       2.95861996      10.28659995       1.74671997       0.03068809       0.07354650       0.40499807
Cl       6.46426995       5.26741001       6.01708999      -0.12379331      -0.31864302      -0.29262641
Cl       8.54400001       2.26688997      11.57589995      -0.03954863       0.49928308       0.28220307
Cl      11.05059995       2.71106002       9.28226998      -0.03631962      -0.21375233      -1.11920173
Cl       3.48822003       9.06753000      10.31569997      -0.07518517       0.04598851      -0.24909176
Cl       0.45214805       7.25526000       3.78385004       0.31358865       0.17834290       0.18309002
Cl       5.87470005       8.31178995       1.29210000       0.13343472      -0.08555491      -0.06038355
Cl       6.35775002      11.44119996      11.67999997      -0.06026770       0.49234677      -0.57217757
Cl       0.47443901       5.47306999      11.19689999      -0.08050384       0.01366731       0.31854772
Cl       5.65073005      11.64890000       7.11657000       0.26134031       0.64163201       0.13231586
Cl       0.19315880       0.95917004       5.58762005      -0.26222659       0.50617831      -0.22976460
Cl       4.79579005       9.26227996       4.88189999      -0.03118332       0.46418381      -0.63772345
Cl      11.28949998       8.33817000       9.11440994      -0.18871959       0.07653919       0.86462791
Cl       0.06405879      11.56610004       0.48335886      -0.09409304       0.78807731      -0.38806659
Cl       8.20783997       1.35677997       4.23042999       0.01586888       0.44291109       0.44310062
Cl       9.00172003      10.91309996       9.44313998       1.28638524      -0.74787348      -0.60093134
Cl       7.65721001       7.97691006       7.81910999      -0.04323363       0.37397675      -0.34203955
Cl       3.77758003       2.15758006       3.05665001      -0.32657974      -0.32669384      -0.07806035
Cl       3.38841996       1.92699998       7.42224997      -0.17938217       0.79588393       0.17573675
Cl       6.61381996       4.28494998       2.50032005       0.65615103      -0.09711698      -0.00328916
Cl       1.10946997      11.56869999       9.07626005       1.14419557      -0.35348543      -0.65895025
K        9.17897001       5.41329997       0.61846105      -0.14139064      -0.44695012      -0.04013278
K        2.47250006       4.13075995       9.27073994      -0.43882396       0.53496991      -0.03316278
K        3.47659998       7.48505003       3.11309004       0.14784598       0.19174835      -0.18290409
K       11.58520000      10.01400000       2.67716994       0.84502615      -0.12283110       0.45048901
K        0.11335887       2.70984000       0.08805881      -0.05130973      -0.26174549       0.73717915
K        8.12242005       8.64466002      11.03129995      -0.00462170      -0.01211942      -0.36777037
K        8.60799996      11.52599998       6.72300997       0.01534775      -0.30712457      -0.55508315
K        0.64019496       8.33843005       0.20065882       0.56576159       0.11933155      -0.39528131
K        6.54292999      11.47599998       2.79511000      -0.61904232      -0.80948400       0.07891998
K        4.98083000       9.17721000       7.63858004      -0.48017664      -1.40426551       0.75757849
K        7.15508998       7.78626001       4.70882005       0.45000906      -0.10074923      -0.40826394
K        2.95287994       0.00465885       5.15822000       0.33883332      -0.55144025      -0.10740566
K       10.59589996       8.74936004       6.35227995       0.32276728      -0.41824818       0.14283523
K        5.50327000       3.41165995      11.59309998       0.03344097       0.04398940       0.61299129
K        1.45116998       4.72154998       2.77612995       0.29786520      -0.20066143      -0.34430020
K        9.33859999       4.48868002       5.93461998       0.21821382       0.09323573       0.19743091
Li       5.25689995       4.14736998       4.41441995      -0.18748401      -0.17629400      -0.26402954
Li       1.87588999       3.07209003       6.14404003      -0.26176589       0.16974580      -0.14222367
Li       4.55710995       7.34472004      11.42819997      -0.13324351      -0.66043450       0.01148983
Li       1.50611005       9.38519998       8.83307995      -0.09037993      -0.07292018       0.25884123
Li       4.71559004      10.06120001       0.21985880      -0.39120623      -0.28918601       0.27280430
Li       7.89922998       0.57143497      10.22819998      -1.00430447       0.95503825       0.90800857
Li      10.30769996       1.75706999       4.24190001       0.87327010      -0.09246542       0.00468509
Li      10.95229995       0.41885880       9.58980998      -0.46326998       0.05950679       0.47405813
Li       6.50984997       5.84893001       8.14031999       0.95437128       0.42363755      -0.15769728
Li      11.24499994       6.04975004       9.30343000      -0.27477115       0.11894550      -0.38283465
Li       2.54959001       0.71554997       1.29123005       0.05027918      -0.13502141       0.05880950
Li       5.62958002       1.88863004       8.06133000      -0.43256671      -0.06953502      -0.55383296
Li       1.84666995       6.99194998       5.63681999      -0.50900126      -1.01676488      -0.00778876
Li       8.50057996       2.55557996       2.44784001      -0.39272029       0.79325435      -0.67795617
Li       8.86399000       3.24391994       9.14974996       0.37222966       0.08212930       0.54239321
Li       3.35241004       0.49764099       9.25300004      -0.66889539      -0.30182607       0.03931603
64
Lattice="11.14194449 0.0 0.0 0.0 11.14194449 0.0 0.0 0.0 11.14194449" Properties=species:S:1:pos:R:3:forces:R:3 energy=-542.26613554 stress="-0.041916554940407726 -0.0016503366393398817 -0.00295760330570416 -0.0016503366393398817 -0.0493183753240297 0.005488537203600668 -0.00295760330570416 0.005488537203600668 -0.046684717289565886" free_energy=-542.26613554 pbc="T T T" config_type=wetmd 
Cl       2.06624998       2.59642003       8.56983006      -0.65045992      -0.56690307      -0.71136584
Cl      10.01180001       5.75411996       3.28526005      -0.16866480      -0.27395156      -1.60523405
Cl       7.18465995       2.92479998       8.72319001       0.20381775      -0.77374157      -0.25503060
Cl       2.12163002       0.07145552      10.95390000       0.08434743      -1.59836438      -0.47213057
Cl       1.83206002       4.87159005       6.16121999       0.54158331       1.55700208       0.77587953
Cl       7.25852002       8.93681006       3.26198999       0.47588128       0.52786184      -1.88985809
Cl      10.04080004      11.13110004       1.98959998      -0.30017219       0.65474383      -0.01203790
Cl       5.26883001       8.12789998       5.34690997      -1.60699636      -0.62768758       0.56754457
Cl       1.82645996       7.96969997       3.29076005       0.07655322       0.80865585      -2.06204184
Cl       7.76239005       3.43684999       1.91503998      -0.81828208      -0.28167880       0.24576190
Cl      10.45909995       8.51384000       5.14481003       1.21162919       1.08765188       0.28805312
Cl       9.80078997       8.75484996      10.70040004       0.44207939      -0.27057168      -1.03576299
Cl       5.28529000       7.95021004       0.00615548      -1.53247388       2.09413509      -0.59413375
Cl       4.96589001       2.37395005      11.02040003      -0.16865627      -0.02287623      -0.20481200
Cl      10.72990001       5.67448002       8.85875004      -0.30763726      -0.17084195       0.04438704
Cl       7.10917005       0.01725553       0.53815547      -0.28194923      -0.28071436      -0.65946434
Cl       7.73142002       7.22982004       8.51364001      -0.00091433       0.38137249      -0.15929174
Cl       8.00151000       6.17745001       0.69531605      -0.73631889       1.84616271      -0.84282198
Cl       3.90880995       0.20135555       3.25545000      -1.14622615      -0.32200077      -1.11065450
Cl       1.85913996       5.45746001       0.55295554       0.08583166       0.73185813      -0.50857874
Cl       7.35814003       1.13898996       5.01440003       0.75666842      -0.52313062      -0.47184161
Cl       1.57912005       2.78039002       2.69356998      -0.48671137      -1.20777794       1.02335442
Cl       4.75426003       5.22857996       8.80313001      -0.45657712       0.17093885      -0.13299916
Cl       8.96150996      10.53069998       7.75326001       0.63260772      -0.14152220       0.25293879
Cl      10.03229997       2.07905999      10.42480003       0.16681061      -0.00325861      -0.19171660
Cl       7.58235996       4.76760997       5.72319995       0.79610260       1.21420820       0.02534485
Cl      10.50220000       2.81321998       6.34209998      -0.45669954      -0.82404083      -0.22141217
Cl       1.87258004      10.51920004       6.50332002      -0.81220624       0.88322669      -1.26561339
Cl       4.71447003       2.61092996       5.98952997       0.31484871      -0.30478696       0.92542840
Cl       2.35821996       8.01838002       8.00643006      -0.01701167      -0.56249827       0.75368189
Cl       4.44178999       4.92896003       3.03523002      -0.13685619       0.73982554       0.23625041
Cl       5.51420003      10.17430004       8.29672005      -0.46165531       0.42932589       0.88078946
K        6.91945995       6.11845999       3.37436998       0.57182384       0.02544268      -0.13690183
K        2.10217997       8.27475003       0.02145549      -0.16666080      -0.21992080      -0.12558438
K       10.09919999       4.72874999       0.69920905       1.57590052      -0.77203919      -0.70433791
K        1.08613001      10.93919999       3.46675998       0.73736589       0.02693560       0.32850499
K        2.11299000       2.72266996       0.15565553       0.08554253       0.51833936      -0.46704477
K        4.43996995       8.76491002       2.69778999       0.54115128      -0.59391829      -0.38904329
K       10.39540000       5.80285995       5.72954997      -0.31652124      -0.27594707       2.62785732
K        9.99323998       8.31149995       2.16057000       0.00938767      -0.58502286       1.01791028
K        7.88206000       8.48808997       5.75150996      -0.10665702       0.10177154       1.92090723
K        5.35746005       5.45517000       0.50825551      -0.55763948      -2.13885218      -0.49671362
K        4.74070997       5.32212995       5.86224006      -0.21988627       1.11521864       0.49338839
K        4.63880998      10.91110000       5.70973001       0.83675825      -0.32277476       0.95194349
K        9.94677005       2.86596004       3.33790997      -0.08004448      -0.64824043       0.79329960
K        5.26096001       2.40812005       3.01074003       1.00547036      -0.02940553      -0.30836452
K        1.81970003       5.32798003       3.42989998      -0.54069572       0.10163712      -0.19120235
K        2.13055995       2.37052000       5.48559999      -0.59723100      -1.31234571      -0.19133777
Li       7.33698003       8.45520998      10.98869997       0.98372493      -0.03045692      -0.23792349
Li       4.17978003       2.93454996       8.47808005       0.98484953       0.49710243       0.14076101
Li       7.55990995       2.59952997      11.12440005      -0.19404257      -0.87017626      -0.63534693
Li      10.32060001      10.78130003      10.91059995       0.04007899       1.33014737      -0.11697763
Li      10.25560002       0.52135554       6.34814003      -0.28391871      -0.03472109       0.18565475
Li       1.73354996       8.50965999       5.19223995      -0.26472048       0.20091949       2.26912475
Li      10.04100004       8.08773004       8.57942996      -0.46823029      -0.15260598      -0.19931163
Li      10.79640003       3.31082000       8.51088995       0.12263090      -0.17082686       0.25693773
Li       7.77840003       5.03629005       8.90332004      -0.11115556       0.58109056      -0.18039063
Li       1.77349996       5.71946996       8.33866000       0.62828432      -0.00400498       0.01056148
Li       4.87231996       0.05725556      10.77320005       0.12086166       0.08297996       0.09322503
Li       4.57832003       8.20878003       8.81478003       0.22537940      -0.70435067      -0.22052975
Li       7.18131002       0.43925556       8.56701995       0.35998969       0.42110030       0.18329778
Li       7.93665998      10.91429997       2.65511000      -0.37182451       0.46687139       0.23250041
Li       6.86919997       2.98890003       6.29293003       0.09583811      -1.41335400       0.49834250
Li       2.05462002      11.10130001       8.52024997       0.11189775       0.43878543       0.98418125
64
Lattice="12.25555888 0.0 0.0 0.0 12.25555888 0.0 0.0 0.0 12.25555888" Properties=species:S:1:pos:R:3:forces:R:3 energy=-544.34703589 stress="-0.010100517364883021 0.002418537694093408 0.0005769304694625088 0.002418537694093408 -0.009599648503371796 0.00013623393773591134 0.0005769304694625088 0.00013623393773591134 -0.0058158228431440615" free_energy=-544.34703589 pbc="T T T" config_type=wetmd 
Cl       4.69210003       4.17814001       8.84200005      -0.50908971       0.55053989      -0.11917356
Cl       8.29453002       4.74675002       2.64202005      -0.37014310      -1.02840315       1.08685337
Cl      10.51700000      10.78849997      11.52320002       0.23734573      -0.30645581      -0.04839069
Cl       2.30042000      11.02760004      10.61919997      -0.69645558      -0.43080756      -0.23112465
Cl       3.26678001       5.49611997       6.38111998      -0.86853911       0.58677613      -1.09486070
Cl       4.85049002       8.94141996       3.23807994      -0.31788338      -0.23945004      -0.26843337
Cl       9.76287000       9.31198995       2.70537994       0.52128162      -0.75615202      -0.13760682
Cl       8.13784000      10.77049999       7.29563003       0.33914649       0.03615390      -0.21978609
Cl       1.08574999      10.07620003       2.23512998       0.65531271      -1.05163488       0.33036161
Cl       7.55341995      11.77240002       1.22744998       0.29783951      -0.45351195      -0.21470788
Cl       1.90681005      10.88290001       6.66868000       0.14372083      -0.30159897       0.21871643
Cl      11.21020003       7.96185005       9.32130001      -0.08106618      -0.34945113      -0.04802083
Cl       5.32987000       6.82273005      11.09689996       0.06929055      -0.34861747       0.95763329
Cl       6.06568996       2.52794004      11.13240002      -0.52648413       0.60882129       1.16505077
Cl       9.36283998       5.67614004       6.74678002       1.13827146       1.21195230      -0.06343238
Cl       5.25161998      10.49020004      10.89799996      -0.80694249       0.11501404       0.90632427
Cl       7.78300003       9.15443996      10.54270003       1.32314431      -0.90645470      -0.38036718
Cl       8.45742000       5.29320995      10.04850001       0.38895579      -0.09741600       1.11937635
Cl       3.10355006       1.16601005       0.29664115       0.49057780       0.03034876      -0.12415180
Cl       1.06756997       5.42432004       0.52668804      -0.71112033       0.48871794       0.65606450
Cl       7.64944005       3.25509004       7.27308005      -0.18320203      -0.72657991       0.03510210
Cl       0.13654114       1.49521005       4.49446996      -0.04920851      -0.19311766      -0.20275427
Cl       6.07619996       7.86367004       7.62164003       0.13989171      -0.23634779       0.72992047
Cl       1.68271998       1.70187995       8.94947995       0.60497006       0.48950249       0.14873955
Cl      11.34859997       1.83227995      11.66920000       0.33668427       0.19124194       0.34735271
Cl      10.82979998       2.57391002       7.88639000       0.81373633      -0.89307557      -0.24913723
Cl      11.59680004      11.30939995       8.59448997      -0.20523755       0.17116179      -0.42924472
Cl       5.16082001       0.57837696       8.50038002       0.11290665       0.02287462      -0.23080075
Cl       5.92000997       0.30619104       4.95507994      -0.20773919       0.30075784      -0.42787497
Cl       2.49080006       8.05562003       9.19665999       0.39521753      -0.81315205      -0.37026686
Cl       4.02989996       3.85424005       2.78139002      -0.00562881       0.19447931      -0.00163803
Cl       8.05335998       0.71174501       9.99157000       1.12049778      -0.41503722      -0.21135048
K       11.79179995       8.08512002       0.08868086      -0.10121318       0.47148730      -0.13607334
K        1.42560999       6.98864997       3.54129999       0.46050740      -0.06486884      -0.29689946
K        0.50876796       6.18881997       7.49534000      -0.07013351      -0.29301930       0.38993025
K       10.14369997       4.67422996       0.80637006       0.87082932      -0.42451420      -1.61470497
K       11.32390000      11.86279996       1.73402996      -0.62890789       0.66787997       0.14262782
K        3.45443994       8.98407004       0.47090502       0.12494450       0.22139217      -0.08671596
K       10.14829997       3.49850995       5.02998003      -0.37859957      -0.22222222       0.23319475
K        7.29415005       7.22921997       2.44865000      -0.48481136       0.72758590      -0.32382632
K        4.02757998       8.49679000       5.96325003      -0.45955541       0.43668012       0.02245975
K        3.75638995       4.66346002      12.06139994       0.43332190      -0.60386495      -0.20184291
K       10.49970006      10.07009995       5.43357997       0.22136445       0.24473149       0.67553897
K        7.38701998      10.30670001       3.78596004      -0.61291620       0.62936674       0.47725589
K        5.45264999       3.27433997       5.34370003      -0.25407726       0.16445590       0.40135910
K        6.47033003       1.88860001       1.94761003      -0.52887350       0.86028891       0.20633636
K        1.42419999       2.63939001       1.94805001      -0.15747733       0.19882621       0.07115016
K        2.93801006      11.82139995       4.20129995       0.27156333       0.25185504      -0.48500575
Li       4.29425003       6.40623995       8.12645998       0.34023414      -0.43422009       0.51441700
Li       6.84869002       3.86527998       9.41639996      -0.24046082      -0.19842643      -0.12077810
Li       8.27829998      11.29149997      11.32589998      -0.02136975      -0.36056410       0.92328836
Li       0.82302095       0.35643197      10.64229998      -0.02324994       0.40688535       0.29059085
Li       3.11801995      12.25040003       8.37864997      -0.60702713      -0.76758901      -0.02292790
Li       3.90333999       2.24222999       9.54556999       0.31541759       0.04434040       0.11358527
Li       4.73152004       8.38569005       9.88731000       0.20027191       0.87170765      -0.66506329
Li       0.20851400       0.95064103       7.54364994      -0.30907771      -0.08494445      -0.54955059
Li      10.49329996       0.48833304       9.97286998      -0.69316686       0.27755870       0.11461519
Li       1.09286998       9.79706999       9.16042006      -0.17001340       0.23873533      -0.20479999
Li       5.21313997       0.48686899      11.42569994      -0.23760617      -0.24969280      -0.02799937
Li       8.61107002       7.25910001       9.10932994      -0.31968077       0.21843652      -0.42224541
Li       9.79755004       9.64838004       9.56173998      -0.00136759       0.73454796      -0.06626969
Li       6.63636001      10.76700005       9.35635997       0.55196869       0.32645739      -1.22789917
Li       7.76445994       1.03412994       7.81162999      -0.31629581      -0.29535845      -0.33864383
Li       9.73575004       4.16100000       8.65402000      -0.76459308       0.55498743      -0.41347582
64
Lattice="12.343627 0.0 0.0 0.0 12.343627 0.0 0.0 0.0 12.343627" Properties=species:S:1:pos:R:3:forces:R:3 energy=-547.65867064 stress="-0.0033003244719422634 -0.00024330460508489778 0.001292798111712404 -0.00024330460508489778 0.0017265259423263706 0.002155974294691194 0.001292798111712404 0.002155974294691194 -0.0026095420103636057" free_energy=-547.65867064 pbc="T T T" config_type=wetmd 
Cl       8.53702006       9.65274001       5.59010996       0.02569813      -0.24098459      -0.10172356
Cl       7.31088994       7.55117000       8.02529994      -0.13912590      -1.01072735       0.04656657
Cl      11.76480001       7.01149996      12.18019997      -0.48304980      -0.27799911      -0.00516148
Cl       1.81832994       9.89242005       0.81790897       0.49255581      -0.14561971       0.11030589
Cl       9.69160997       5.03091995       5.14626004      -0.47921145       1.84054986      -0.82748638
Cl       4.74475000      10.87410006      10.97380003       0.42717841       0.05648009       1.01157451
Cl      12.00559998       7.66076005       7.73721006      -0.32017871      -0.39615429      -0.36389830
Cl       9.23237002       4.81726004       9.10315002      -0.48350158       0.35560982      -0.96735803
Cl       3.25817996       5.78042005       0.63606895      -0.28086019       0.04489988       0.06017686
Cl       8.85170997       0.69815702       4.42419995      -0.40718730       0.07877420      -0.39817364
Cl       1.66880998      11.09910006       6.42368002       0.14711303      -0.36105571      -0.16412199
Cl       1.00487999       4.29615000      10.23079997       0.66643017      -0.11823709      -0.31149600
Cl       8.15575998       5.27715001       0.28744703       0.34950941       0.66149553       0.48086562
Cl       5.06326001       7.99065002       3.99065005      -0.13247346      -0.02806117      -0.10848331
Cl      11.79160000       3.49379005       2.27397000       1.05837382       0.13929185      -0.49639005
Cl       8.75863001       1.88320002      12.07249997      -0.00884204      -0.55486776       0.18617917
Cl       6.14620998       4.29163001       3.04811995      -0.65561467      -0.22592439      -0.88595250
Cl      11.15960001       2.65536005       6.79508001       0.78473144      -0.81902549       0.19323756
Cl       2.29932998       9.70348997       9.40175001      -0.14062043      -0.50187959       0.14567306
Cl       0.21633799       7.30388999       3.43656006       0.13531438       0.01475295      -0.61797453
Cl       7.14235006       3.03941004       6.73567001      -0.10318310       0.34922341       0.48609615
Cl      11.21489995      11.24800000       8.47414002      -0.71500021       0.51362414       0.15846613
Cl       7.99958002      10.95039997       9.86086998       0.30124680      -0.56589927      -0.24200635
Cl       1.54116997       0.67273903       3.19306005       0.41161240       0.13580559       0.19479358
Cl       0.63814404       0.13422300      11.46429997       0.98830705       0.90971973       0.86762358
Cl      10.93849997      11.48819995       2.23399998      -0.19846504      -0.32339071      -0.53928444
Cl       7.97788005       9.50856003       1.07889003      -0.30962568       0.66957160      -0.53184341
Cl       5.52044006      10.82970003       7.21108999       0.33423084      -0.25203830      -0.73251666
Cl       3.22004001       4.54090006       6.33267997      -0.01762333       0.01735641       0.23475675
Cl       5.31739998      11.76320003       2.97210999       0.17649475      -0.01463845       0.06428958
Cl       5.06503996       4.92492004       9.53104000      -0.59225876       0.08518694       0.55239190
Cl       3.47381004       1.29864004       9.20499000       0.02941322       0.13319232       0.06496525
K        2.35012006       9.94586005       3.83576000       0.31805292       0.25704704      -0.46979852
K        6.14228001       3.43338997      12.13118800      -0.16645650      -0.25644640      -0.01744366
K        2.83698998       8.12902998       7.09787005       0.20865612      -0.19505818      -0.37523238
K       10.70190005       4.05119998      11.25429994      -0.02179575      -0.34167721       0.93999602
K       11.34220002      11.57489998       5.16567002      -0.08405754       0.25887757       0.22007549
K        4.73095994       7.65141000      10.83860004      -0.25137838       0.37523562       0.01462800
K        4.52656997       1.88823005       5.20797003       0.09351412      -0.21419352      -0.06042182
K       10.60640000      11.26829996      11.59639998      -0.97378494      -0.38512414      -0.24149734
K        0.31997397       1.59257994       9.12129997       0.10448133      -0.13497242      -0.77490072
K        3.26513004       1.13799995       0.89088795       0.02790476      -0.41415778       0.03772877
K        9.54064001       7.48964998       2.22794999       0.18981077      -0.45484962       0.50946218
K        8.54980003       0.39940805       7.63034005       0.12704798       0.28930666      -0.50250797
K        0.22337101       5.13542999       5.55730998       0.27095475      -0.25608857       0.33601466
K        6.54825006       5.72004996       5.33394995       0.02191497       0.30369654       0.80287281
K        9.12351997       3.43754002       2.72257999      -1.08872669      -0.59111852       0.12410688
K        8.52782998       7.25163004      10.67269996       0.41750169       0.60035434      -0.01321672
Li       3.32674005       3.44499002       8.65671004       0.00948845       0.56685344      -0.22552395
Li       9.50909994       3.91359002       6.85533000      -0.89493485      -0.56246439       0.94134563
Li       8.54019003      11.70020001       2.34472996       0.18382065       0.17741158       0.52915097
Li       4.42641995      11.55750003       8.88503998      -0.57296503       0.17969507       0.06647586
Li       0.21613506       8.53993994       1.14509001       0.17268322       0.11385641       0.65576095
Li       4.82937000       6.23318996       2.35107002       0.07591173      -0.10647590       0.31366234
Li       6.43722999      10.07300003       4.41826995      -0.18256917       0.16567462       0.09217516
Li       0.36767196       9.84295000       7.91079997       0.39045020       0.00913289       0.15425907
Li       6.92115004      10.93629997      11.70269997      -0.27570559      -0.06539096       0.49372168
Li       2.39848004      11.01859999      11.24389994      -0.18068719      -0.30232489      -0.12565678
Li       6.94412005       4.56524996       8.64476005       0.77217279      -0.35920242      -0.66933160
Li       9.57621002       7.05924005       7.14421999       0.27909713       0.11696972      -0.07399112
Li       1.30272998       6.10978998      11.39260004       0.38345351       0.06061054      -0.04982385
Li       0.70830805       5.32974003       2.03223006       0.04310845       0.39702645       0.00404530
Li       7.46177004       9.65924004       7.77125995      -0.03549698       0.80699150      -0.24006759
Li      12.24179998       1.10970997       1.78200006      -0.22285490      -0.20822640       0.03984074
64
Lattice="11.42983949 0.0 0.0 0.0 11.42983949 0.0 0.0 0.0 11.42983949" Properties=species:S:1:pos:R:3:forces:R:3 energy=-545.04551355 stress="-0.03385063062081102 0.001071375307637993 -0.006258900279666345 0.001071375307637993 -0.030342534267992237 0.0037470758167737713 -0.006258900279666345 0.0037470758167737713 -0.03434254885240178" free_energy=-545.04551355 pbc="T T T" config_type=wetmd 
Cl       6.49016998       1.07366003       1.41835999       0.48165135       0.26764675       0.21358035
Cl       5.98728002      11.32630000       5.86433998      -0.46975506       0.98428062      -0.57022455
Cl       2.50105999       1.49643002       0.18186052      -0.21248151       0.71480271       0.96065408
Cl       5.80873998       9.23879001       0.82023100       0.39755776       1.25574828       0.49474988
Cl       3.25711004       7.60994999       2.20282004       0.15992473      -0.98297057      -0.49861452
Cl       4.93450002       2.95768996       9.56724005       0.92017363      -0.28704319       0.38441586
Cl      11.01660004       1.68014994       6.89007995      -0.49123245       0.80944938      -0.14655474
Cl      10.58370002       7.00865002       7.38094001      -0.05633729      -1.40715773      -0.03918522
Cl       1.31215998       4.17558005       8.98212005      -0.18663124       0.11093729      -0.01564986
Cl       0.66829106       9.82793994      11.02150002      -0.52440798       1.29968818       0.26764571
Cl       1.45458995       9.69808999       7.96029000      -1.28067285       1.09133553      -1.25088369
Cl       2.82859998       1.33106996       7.19087995       0.75041515       0.54185479      -0.44964915
Cl      10.48429996       4.88351002       1.83653004      -0.60170238      -0.35206514       0.17286443
Cl       5.43493005       5.50944998       0.12486048       0.32659293       0.57596118      -0.56369675
Cl      11.11140005       0.00356051       2.46259995      -0.03229075       0.66237880       0.02599907
Cl       7.93799004       2.25202996       4.86966003       0.23598915       0.34120765       0.05463687
Cl       6.37821002       7.88833996       6.28767997       0.46264894      -0.38519424       0.21134971
Cl       8.79271995       5.48372004      10.06860001       0.59194786      -0.22098083      -0.12305397
Cl       0.17926046       7.00655001      10.59700001      -0.32925022      -0.64895648      -0.45097506
Cl       3.55728003       5.79831003       5.75935005       0.14870830      -0.04133624       0.36754215
Cl       9.08949996       8.08727997       3.37576000      -0.62372921      -0.19231551       0.56897525
Cl       3.55773002       8.64663997      10.18549995       1.17189124      -0.39324477      -0.59482923
Cl       6.30931003       4.74694001       3.57729002       0.34503678       0.09411718      -0.73269658
Cl       9.22677999      10.30790005       6.33895995       0.22268162      -0.57648789      -0.01545612
Cl       9.91803005       1.59054000      10.48759998      -0.59822127       0.74025047       0.45026178
Cl       0.87268105       8.03216997       4.41518001       0.36710117      -0.09826559       1.40938136
Cl       8.67072001       9.74043995       0.54001397       1.42940283      -0.06147092      -0.01795767
Cl       3.06274996       1.95838996       3.81888997       0.20403592      -0.53823103       0.34716000
Cl       2.13964995       4.40477005       2.80567996      -0.55923659       0.58051958      -0.54381933
Cl       3.55451001      10.06860001       4.17636002      -0.16834056       0.18175011      -0.56332283
Cl       6.94322996      10.66769996       9.00892999      -0.16213423       0.08161341       0.32504144
Cl       6.58682002       4.74325995       7.42126997       0.76233766       0.21260548      -0.60790290
K        0.16156055       7.71090004       1.88026003      -0.42074733       0.38124070      -0.44082057
K        1.17731004       3.99967002       5.79668996      -0.08677656      -0.07942359      -0.06750457
K        3.61133002       8.82285998       6.64419004       0.52135647      -0.56351325       0.12833301
K        8.83770002       5.78793996       5.28543998       0.05924154      -0.06450066      -0.11949785
K        9.55439999       8.64898995       9.41034001      -0.26732705       0.62626641      -0.15199747
K        3.92802002       0.12686047       9.69578997       0.82566216      -0.62183407      -0.63570404
K        5.03197998       3.13790001       5.79262997      -0.26055318      -0.77038868      -0.06294595
K        2.23017999       5.55236000       0.10776053       0.89973018      -0.49085320       0.21770814
K        1.00731004       1.23601998       9.29940005      -0.69353369      -0.80270712      -0.02996178
K        4.64859001       3.15097004       1.32518999      -0.44111405       0.14181338       0.28332910
K        5.84222998       8.38880999       3.55757000      -0.09178218      -0.13830038      -0.18775995
K        8.09059005       1.90822005       8.23184001      -0.40397630       0.23215238       0.04190702
K        1.03528994      11.39460004       5.00737005       0.19096695      -0.45424586       0.28462730
K        2.95917996      10.22779996       1.23477996      -0.03242188       0.34641092       0.49360483
K        8.04232996      10.87809999       3.27879999       0.46618391      -0.30017351       0.25155184
K        7.81288999       6.98789994       1.00860001       0.33074593      -0.36282894       0.26264435
Li       4.54304002       0.54826048       4.23908001       0.44488603      -0.73601508       0.23146184
Li       5.87137002       5.88418001       5.35392004      -0.52224151       0.20484157       0.93485847
Li       4.78918001       7.64121002       0.13766053      -0.61318551      -1.00360397       0.17765677
Li       6.99068002       9.90056994       6.96859997       0.63456505      -0.50554619       0.11181937
Li       3.17292996       3.16425997       8.48006995      -0.09672207       0.05553022      -0.34487227
Li       6.82602004       4.95031995       9.54970999      -1.31946905      -0.18549121       0.34261896
Li       7.27596996      11.06449999      11.12570003      -0.56149573       0.19694904       0.27668255
Li       1.67018004       8.42558996       9.54601004      -1.31115176      -0.51862946       0.36037127
Li      10.35669998      11.16639998       0.22935505       0.47415429      -0.12537311       0.52645074
Li       1.57805005       2.15891003       2.16171994      -0.47672689      -0.01757980      -0.09261520
Li      10.09709997       4.10610994      11.27820004      -0.04700724      -0.57339055       0.14921171
Li      10.88850000       8.59531999       6.05673995       0.18374323       0.65827100      -0.45474367
Li       9.25341997       0.98836302       5.93562000       0.35922013      -0.35419324      -0.32084395
Li      10.99229998       5.52121003       9.13811004      -0.23774952       0.38630216      -0.59371960
Li       7.78612999       2.64274005       2.76053998      -0.17411600       0.42696530      -0.49183314
Li       2.46587997       6.28051998       3.88109001      -0.01403180       0.65142151      -0.14980305
64
Lattice="12.32264298 0.0 0.0 0.0 12.32264298 0.0 0.0 0.0 12.32264298" Properties=species:S:1:pos:R:3:forces:R:3 energy=-547.8055409 stress="-0.0011603478891557674 0.0011826126816492366 0.0019289314423130547 0.0011826126816492366 -0.0010265304515420877 -0.0006508542544325211 0.0019289314423130547 -0.0006508542544325211 -0.010804559113686451" free_energy=-547.8055409 pbc="T T T" config_type=wetmd 
Cl       4.56942998      11.78739999      11.25940000       0.08886918      -0.01275203      -0.97114575
Cl       3.84587999      11.46729999       5.03883001      -1.13004910       0.49964635       1.11194721
Cl      11.76949999       1.96008001      10.88529996       0.08963016       0.54765886      -1.65822274
Cl       8.34351997       6.91088001       4.92934998      -0.89860966       0.48753491       1.19995950
Cl       4.53917000       8.27105002       3.67092003       0.21334122      -0.43691483       0.16477247
Cl       3.06093996       1.48784996       8.15594002       0.28980018      -0.25043763      -0.29230697
Cl       0.66397900       3.70975003       6.86960002      -0.42939536       0.17868459       0.05081515
Cl      10.82729999       5.20065995       9.49085994      -0.06261547      -0.14709578      -0.45507105
Cl      10.87860001      11.50910000       6.41174002       1.19714363       0.24498723       0.14850067
Cl      11.73219997       9.64799003      11.61589997      -0.06581200       0.07839952      -0.72181934
Cl       3.76661003       8.50002000      12.02429996      -0.08041823      -0.56851671      -0.19838987
Cl       1.20406997       1.45281003       4.51955001      -0.21084178      -0.13974026      -0.58701305
Cl      10.91670002       4.30035003       1.24880005       0.16124186      -0.60828852       0.01996652
Cl       1.68273995       5.16233000      12.11870003      -0.00305575      -0.47961590      -0.09870587
Cl      10.24810003       0.13304302       1.73365995       0.69393293       0.74273969       0.40823289
Cl       5.17555996       3.10250004       0.98290601       0.30642844      -0.76700808      -0.08832098
Cl       6.94495003      11.93810000       7.96819001       0.16665619      -0.31730059      -1.02432186
Cl       5.22883999       5.30889995       9.91815005       0.04873400       0.05534260       0.16067985
Cl       7.35505005       6.61872001       0.33655701       0.11249953      -0.24417953      -0.31453080
Cl       5.73263005       4.43040998       5.57387005      -0.01770293       0.39204521      -0.53235824
Cl       9.83023995       8.99183998       2.32592006       0.13052054       0.49056173       0.32532061
Cl       7.34016996       9.51327003      10.40120000       0.02767126       0.04771287       1.02029935
Cl       9.40412998       8.45631997       7.62185006       0.19955408       0.39586475      -0.18024109
Cl       7.55538998      11.38540001       4.69292997       0.31796897      -0.24767493      -0.02858191
Cl       8.56499003       0.70813202      11.05010003      -0.15082916       0.52812450       0.37444615
Cl       0.16881097       7.12653994       3.80203997       0.29432360      -0.52871277       0.01303234
Cl       2.22220000       6.94474005       8.48827000      -0.44334166       0.59542913      -0.20345988
Cl       5.17705001      11.69550006       2.17611997      -0.00337415      -0.11785357       0.08555792
Cl       2.04131999       1.37798004       1.05370994      -0.20760441      -0.29903676       0.85058826
Cl       1.37138004      10.36970000       1.99351997       0.15114049       0.45835385       0.52243173
Cl       9.10179997       2.52916000       7.05624000       0.15330068       0.02531936       0.08258254
Cl       5.49455006       7.91603997       7.56463997       0.70088298       0.08815124      -0.32576301
K        1.95339005       4.32065997       3.19697996      -0.45267306      -0.33179853      -0.18284679
K        3.57380996       4.63690002       7.43751995       0.09864206      -0.06613544       0.41132494
K        3.72020998      10.17440003       7.72884005       0.01934609       0.11330815       0.46982261
K       12.30970002       6.67439999       6.68340994      -0.46207197      -0.09551578       0.21602665
K        9.85153003       7.77844004      10.38480004      -0.20838565       0.17317291       0.71279537
K        8.17565995       5.37249995       8.12944005      -0.80340587       0.12028869      -0.51133141
K        5.59914995       1.52534000       5.87483002       0.07758455      -0.26567657       0.13283083
K        2.45457005       2.49213994      10.87510001       0.49573455       0.18252043      -0.28424927
K       10.68559995      11.77439997       9.61912005       0.22009055      -0.29268438      -0.11307445
K        1.06274995       7.66042005       0.88788302      -0.25126194       0.51471782       0.36762103
K        7.98774001      11.05480001       0.96004602      -0.68110607      -0.66555902      -0.11817292
K        8.24029997       3.42634994       0.25935701      -0.61691421      -0.09040794      -0.31425379
K        0.24733294       9.96891996       4.68915998       0.20420568      -0.10919703      -0.38446533
K        9.18435995       6.11019004       2.60008999       0.44912550       0.20529913      -0.84334591
K       10.24710005       1.76705000       4.40286000       0.27854028      -0.19095984      -0.08933033
K        4.83484997       5.69383997       1.84968995       0.22394474       0.97951165      -0.30369431
Li       5.34336996      10.42270005       4.06471005       0.67960175      -0.60214739      -0.49353308
Li       7.57380001       9.65711002       8.34035996      -0.42741054      -0.37329856      -0.91897517
Li       3.37348001      10.68760003       0.92117905       0.33223401      -0.33138974      -0.58147767
Li       8.88032006      11.71108795       6.61359995      -1.60079301       0.43788563       0.04154747
Li       1.43764998       1.55082002       6.66192997       0.08913446       0.16828584       0.25288808
Li       5.93714994       7.57031997      10.58719995      -0.36295147      -0.19131958       0.31245434
Li       6.90375999      12.15180001      10.03369997      -0.82777434      -0.34562000       0.96751363
Li       2.62275996       6.52708994      10.57509997       0.77819404       0.16045838       0.26667635
Li      11.45730004      10.53599998       1.28008995      -0.13864677      -0.15478488       0.34693295
Li       4.81405995       0.77394405       0.56501696      -0.20572900       1.12163180       0.29607678
Li      11.03530004       3.25673000       8.04436995       0.05770763       0.10715810       0.16290008
Li       8.64888000       9.28612995       4.83306996       0.15434662      -0.48544933      -0.35883552
Li       2.63812999       0.07805704       3.32956002      -0.14405947       0.05866096      -0.59076737
Li      11.39410004       4.23493996      11.35540004       0.69605749      -0.18477880       0.37357343
Li      11.61857596       1.49168994       0.52698399       0.39219043      -0.21483243       1.47460245
Li       5.78898002       7.03753004       5.21753002       0.29651269      -0.04277278       0.42388556
64
Lattice="11.74577292 0.0 0.0 0.0 11.74577292 0.0 0.0 0.0 11.74577292" Properties=species:S:1:pos:R:3:forces:R:3 energy=-547.87394921 stress="-0.016977708597706184 0.0005353980758823466 -0.002793102684125748 0.0005353980758823466 -0.015485272227734659 0.004718607032366454 -0.002793102684125748 0.004718607032366454 -0.009697348044088998" free_energy=-547.87394921 pbc="T T T" config_type=wetmd 
Cl       8.51566000       4.02280002       1.50105998      -0.05602315      -0.27597448       0.56334142
Cl       8.39712001       1.05217001       5.24677005       0.11555759      -0.93005250       0.01522492
Cl       8.43741001       0.60095697       1.55456996       0.77431047      -0.08527283       0.57952663
Cl       9.11079000       7.33478004       4.12120000       0.25490634      -0.16841507      -0.18524568
Cl       4.44343001      10.39930000       2.50097997       0.51914839      -0.17150504      -0.63866436
Cl       2.29895996       9.23820004       5.05175005      -0.33527066       0.12128994       0.02041722
Cl      10.82359995       3.75989004       7.35249995      -0.27681669      -0.24814508      -0.34237136
Cl       1.20248995       7.18810999       9.56718998       1.23873633      -0.68296157       0.74148705
Cl       3.24875006       0.41869499       7.89148998       1.11513593       0.38928564      -0.43285360
Cl       8.60576006       7.53160995       1.00408998      -1.28933535       0.47330878      -0.68962564
Cl       2.35240006       6.64164002       1.21975001      -0.19277494       0.10482459      -0.85507370
Cl       1.84602006       3.46567005       3.07994005       0.32848955       0.36204803       0.25354415
Cl       9.96330995       9.67949002       6.79033997      -0.75949135      -1.04922377       0.81724464
Cl      11.60800005       4.12222998      11.25909997       0.11742290      -0.22951070       0.13452759
Cl       8.87229995      10.14340001      10.76400002      -0.08193041       0.12472026       0.43853153
Cl       7.71534003       4.15164997       5.31886995       0.06736887      -0.28405280      -0.50788418
Cl       3.60793004       0.99444001      11.49380002       0.43857946      -0.14319952       0.36680581
Cl       2.89830999       3.66970999       9.44074004       0.78668155       0.11728359      -0.25614847
Cl       6.53355999       7.00005006       9.42944002       0.00359913      -0.92418634      -0.04334958
Cl       4.48415002       5.15220001       5.86870003       0.13872148      -0.78531737      -0.24079042
Cl      10.80830003      10.18930003       3.65107003       0.04117373       0.25930100      -0.98178047
Cl       4.79974002       9.61172995       9.66791997      -0.18677311       0.42289248       0.47667583
Cl       9.85337997       7.25337995       8.94690006      -0.69096010      -0.48925010       0.40841586
Cl       0.58132708       0.71671802       5.74859997       0.41173934       0.17470904      -0.10885842
Cl       5.31441994       1.87026004       3.32832004      -0.51733089       0.25502495      -0.30232834
Cl       5.53312001       5.57163005       2.25770998       0.73561302       0.28704100       1.12336291
Cl       0.36333505       6.78974998       6.18525002       0.29389948       0.08905807      -0.28150902
Cl       0.70155904      10.41669995       8.76234002      -0.13588908      -0.54629253      -0.39091204
Cl       6.54202000       2.09915004       9.16729997       0.42417103      -0.07843620      -0.50886425
Cl       0.03502707       0.50652706       0.83136205       0.57257106      -0.62655774      -0.01507295
Cl       9.85635999       1.15620996       8.91290004      -0.04797519      -0.31897342       0.61139377
Cl       5.71493999       8.97306999       5.87499999       0.53220789       0.26074334       0.20180892
K        2.21920006       2.91962998       6.65550003      -0.18806610       0.79122059      -0.27710441
K        7.65314005      10.07809998       3.73984999       0.26344820      -0.07706440      -0.11945393
K       11.16429996       6.85381002       1.40703001       0.61833646      -0.61175658       0.06554177
K        8.04940003       6.58624002       6.57007995      -0.37364754       0.52596023       0.85573082
K        8.89275005       4.43504000      10.29120001      -0.38900882       0.20883427      -0.34414728
K        2.29916998       0.61433106       3.27645998      -0.22397707      -0.34948600      -0.38844130
K        5.47021999       0.85294702       5.94274996      -0.01265983      -0.13518702       0.37279540
K        4.00515998       3.73860999       1.01829003      -0.73166340      -0.68244084      -0.59960719
K        1.33633996       1.21348998       9.83715999      -1.06288761       0.81578972       0.13801871
K        1.99836003       9.88764004      11.16349995       0.68366650      -0.23010255       0.49886064
K        6.45563995      11.65949998      11.63309995      -1.13115514      -0.23856399      -0.66303643
K        7.38504995      10.71990005       8.08612002      -0.25016949      -0.09408403       0.09570664
K        2.80431996       6.45679996       3.96418004      -0.22225779      -0.40241247       0.41753806
K        4.00421997       7.00692005       7.93037001      -0.19652958       0.46585675       0.31628046
K       10.96280005       3.17485000       4.00863004      -0.77181973      -0.09823471       0.27806221
K        4.92100996       7.85218004       0.76492103       0.47518639       0.52850618      -0.81557010
Li       2.17054002      10.64959995       6.76033998      -0.70921589       0.00440006       0.09165795
Li       8.12914995       8.10920997      10.32460006       0.35603318      -0.43065144       0.47131536
Li       4.28907000       9.24682003       4.27055995       0.08563856      -0.02187518       0.26565269
Li      10.44399995      11.40499998       5.84235003      -0.06953582       1.08121527      -0.83784438
Li      10.31190006       1.69650999      11.52350002      -0.40572089       0.40420102      -0.22465669
Li       8.19631005       2.57474002       6.84822995       0.61906833       0.19592871       0.63696343
Li      11.67849995       8.21692000       8.29419004      -0.07233472       0.86340896      -1.00053355
Li       1.86073998       5.21443006      10.49060001      -0.80665983       0.32826059       0.51594013
Li       4.41928998       1.72606001       9.38166996      -0.45283812       0.11135965       0.37609788
Li       7.81812999       6.04094005       2.71095998       0.19265151      -0.11605593      -0.36869266
Li      11.23829997       5.76286005       7.90993002       0.22163267      -0.00985515       0.36646479
Li      11.05779998       8.41997000       4.99315003      -0.20717931      -0.04458833       0.20031566
Li       7.30531001       2.21575996       2.61682994       1.13499284       0.10721208      -0.25810881
Li      10.27179999      10.59210005       9.23708995       0.36060527       0.52869245      -0.76164198
Li      10.26790004      10.56709999       1.30384998      -0.38421609       0.36814428       0.26254584
Li       5.95643003       3.94218995       3.98114998      -0.68917979       0.80916416       0.46237444
64
Lattice="12.02455389 0.0 0.0 0.0 12.02455389 0.0 0.0 0.0 12.02455389" Properties=species:S:1:pos:R:3:forces:R:3 energy=-548.80546352 stress="-0.008912888014100276 0.0003563182064877126 0.0019808248533893474 0.0003563182064877126 -0.004866263181463096 -0.0006419305940729902 0.0019808248533893474 -0.0006419305940729902 -0.008826156639920932" free_energy=-548.80546352 pbc="T T T" config_type=wetmd 
Cl       7.86759996       4.92767998       1.96465001      -0.67802832       0.05231009       0.51710767
Cl      10.56980003       5.77628004       5.27811997      -0.02901729       0.15320662      -0.02385573
Cl      10.09259996       9.42399003       4.08818996       0.30227700       0.17734616      -0.18225595
Cl       3.59642996       7.44022002       6.12209996       0.68781629       0.17489452      -0.36398206
Cl       5.82791997       9.82971002       1.00688997       0.66145248       0.50663115       0.76261726
Cl       3.43095995      11.32199997      10.67799997       0.86393151       0.08952287      -0.75576023
Cl      10.00819998       3.88059000       8.21459996      -0.31811763       0.29096663      -0.00433432
Cl       1.74374994       5.15867996       8.98115000      -0.10713173      -0.05301460       0.39491739
Cl       2.83751996       1.77534001       7.27739998      -0.25584516      -0.24177249      -0.43111135
Cl       9.17996001       6.85183996      10.63790001       0.13737604      -0.26670423       0.01567634
Cl       0.66628702       8.73345994      11.04779998      -0.60274236      -0.07983418       0.00877582
Cl      10.07370001       2.21299000       0.26594610      -0.80320763      -0.58554399      -0.52432345
Cl      10.90540004       8.85310005       7.79187004       0.27723974       0.01619767       0.56648946
Cl      11.84459995       1.03739001       8.82934999       0.00564456       0.13519175      -0.70530133
Cl       9.29536001      10.75030001      10.43389997       0.64238031       0.00694008       0.22304803
Cl       6.45725999       3.89847004       5.48640004       0.49102826       0.00845111      -0.09601272
Cl       7.66895000       0.97259305       3.19178003      -0.60528191       0.16020593       0.66992543
Cl       2.41584002       1.95350999       0.03354610      -0.97863721       0.66517600      -0.70646587
Cl       4.64477000       6.96483000      10.33950000       0.08623189      -0.02557998       0.27192981
Cl       0.59596094       4.79134006       2.24627000       0.00987641      -0.28573246      -0.18378280
Cl       6.75334996       9.98386998       4.60532995      -0.05619716      -0.53772353      -0.00830894
Cl       5.53489001       2.51469002       0.80228497       0.04396404      -0.31027775       0.00371694
Cl       7.82582004       7.09158996       7.38163002      -0.11165234      -0.21685294      -0.79521293
Cl       3.48025004      11.38110005       3.29076002      -1.29674952       0.51038640       0.31007041
Cl      11.67599995       1.83319002       4.97674004       0.40625923      -0.07687941       0.50048934
Cl       4.24763999       4.84544995       3.00800997      -0.76913546       0.20521466       0.07112576
Cl       1.84968999       8.38061997       2.95359995       0.53678929      -1.15993206      -0.00650391
Cl       1.62408002      10.07989999       6.10289002      -0.61630061       0.58585155       0.11128066
Cl       5.85499999       2.88879001       8.83791003      -0.09983498      -0.58227312       0.54527699
Cl      11.99770006      11.56130002       1.79519002       0.54422831      -0.58107641       0.65980847
Cl       9.12382999       0.48866705       6.50020003       0.29351417       0.08010963       0.82454900
Cl       6.12650997      10.62509999       7.87334000      -0.25279880      -0.41788320       0.15538361
K        1.13625998       4.08069000       6.41332997      -0.13754170       0.30976116      -0.22850030
K        9.28103997      11.45650002       1.54201003      -0.47192948      -0.55968585      -0.84043710
K       10.15790002       6.44969005       2.25584996       0.45909493       0.87179055      -0.17655048
K        4.52587001       5.21864003       7.87193000       0.22095499       0.08815994      -0.00344061
K       12.01760670       3.26894003      10.82189998       0.54143293       0.94871351      -0.64681624
K        9.81599001       2.99751001       2.83400999       0.09841047       0.09475066       0.87337164
K        5.60965003       0.94341295       6.40479999       0.19053543       0.37750249      -0.35123482
K        7.28545006       4.32969002      11.16829996       0.08995770       0.21366101      -0.10067535
K        1.33257994       1.79998000       2.64835004       0.48082316       0.27529973       0.17203133
K        3.23005996       9.06104006       0.46716306      -0.27257344      -0.32787249      -0.07690511
K        8.36773001       1.15903004       9.32123998      -0.21420532       0.26787260       0.07868488
K        6.84703999       9.27575999      10.36910001      -0.34783727      -0.59520661      -0.11145779
K        3.25886994       4.65011997       0.16634612       0.32263112       0.58498616      -0.26014520
K        2.49883998       8.57455005       8.80348998       0.05252506      -0.10020262      -0.12134340
K        0.72154201      11.74739995      11.06290005      -0.65030118      -0.58021041       0.59630783
K        6.01717996       6.62681005       4.40410998       0.38302956       0.06508192      -0.38865942
Li       4.05273003       0.67762606       0.42504610       0.96402354      -0.44171513       0.18329760
Li      10.32130000       8.72845003      10.17990003       0.55601112       0.05304717       0.04082465
Li       5.47073000      11.07940003       3.24553003       1.51214735      -0.08361954      -1.04582237
Li       3.23183995       9.33957995       4.77422996      -0.02608857      -0.05213700      -0.42530367
Li      11.09950003      11.19040001       7.94112998      -0.77048892      -0.57336856      -0.09869097
Li      10.82379998       2.12968004       7.15757999      -0.43494105      -0.41380979      -0.46329613
Li       9.95665997       6.19509995       8.37955003      -0.26019525       0.41369881       0.30153832
Li       3.54766005       1.67326994       9.44267006       0.33784458      -0.21201071       0.18078774
Li       1.15035997       0.24062395       5.97375003       0.40189857       0.55956136       0.18402219
Li       5.97964002       8.87248002       6.32114000       0.14724905       0.17791823       1.17595167
Li       8.64284002       4.87132005       6.08005996      -0.42529085      -0.06618419       0.42982943
Li      10.02549994       8.17143001       5.94335004      -0.39343882      -0.44670604      -0.21047374
Li       6.15867998       3.31737998       3.05692995       0.17627637       0.03455108      -0.31092462
Li       8.69621004      11.38309997       4.71265005      -0.21277688      -0.26669673      -0.31285528
Li       0.58835697       9.72050002       3.94420001      -0.99784615       0.74204767       0.05846757
Li       2.18804001       6.02937995       3.16992997       0.27127754       0.24349917       0.07344094
64
Lattice="11.48126806 0.0 0.0 0.0 11.48126806 0.0 0.0 0.0 11.48126806" Properties=species:S:1:pos:R:3:forces:R:3 energy=-547.26279892 stress="-0.02403274242684543 -0.0006714645227208648 -0.00027098042398297865 -0.0006714645227208648 -0.027917109012404837 0.002021347632936325 -0.00027098042398297865 0.002021347632936325 -0.021129897615842178" free_energy=-547.26279892 pbc="T T T" config_type=wetmd 
Cl       8.12613005       2.01703997       2.22875994       0.22095996       0.83959805       0.76736242
Cl       1.75412995       5.21955002       5.13761005       0.11777533      -0.21512889      -0.75943808
Cl      11.41000004      11.10089996       3.91741004       0.13264887       0.29148262       0.04845659
Cl       8.15536997       5.77571998       4.37674997      -0.18433257      -0.07880387       0.56781634
Cl       5.12362001       0.93563701       0.81500998      -0.52637391      -0.17668635      -0.30026343
Cl       2.29320005       9.78265004       0.18103193      -0.17984590       0.39459643       0.81278714
Cl       1.88359996       1.36849000       7.45153999      -0.65398556       0.31249448       0.07798992
Cl       2.20516996       6.64882001       8.56711005      -0.03330797      -0.86975183       0.89771096
Cl       4.88835998       3.56545005       8.85916998      -0.85499910       1.10185689       0.39119159
Cl       8.06652998       8.82835000      11.06919995       0.36748153      -0.27302703      -0.82229273
Cl      10.80500002       0.13103192       0.11513197      -0.32515068       0.14383404      -0.89906850
Cl      10.55060003       3.24038997       9.28904002       0.04791103      -0.19567284      -0.36417633
Cl       8.86466996       7.72749996       7.31534000       0.16237747      -0.15041726       0.19350157
Cl       9.81475006      11.27810002       7.51525999       1.17745076      -0.54435851       0.68763313
Cl       7.48738003       1.11630004       9.44380005       0.88129339       0.22135265       0.88754069
Cl      10.70189995       2.91011006       5.74085998      -0.02656496      -0.09386564      -0.63520860
Cl       6.91524996       2.61270997       5.67179005      -0.28540068       0.28943686       0.69542504
Cl       2.42820002       3.81490000       0.95675003      -0.00725857       0.45335618      -0.02605134
Cl       1.74474998       7.13079997       2.17901000       1.07572480      -0.51205883      -0.75059826
Cl      11.00279999       6.72278005      10.68210005       0.30113171       0.45128200      -0.43541372
Cl      10.67929999       7.82546996       4.11816001      -0.55953047       0.57221580       0.71443657
Cl       4.97535998       4.19638005       3.60634001       0.70202753      -0.21623720      -0.73535328
Cl       5.61561002       6.69686005       0.31361095      -1.21891977      -0.71047600       0.88267325
Cl       3.98086999       9.73155002       2.98915997       1.01907508      -0.25515826       0.58710722
Cl       7.31958004       9.76570002       4.23352000       0.29508153      -0.15146439      -0.08282845
Cl      10.33079999       4.67707997       1.72309000       0.16424101       0.51546564       0.48395556
Cl       2.18440000       9.24643005       5.92787996      -1.21197440       0.27809218      -0.81553068
Cl       4.89099999       0.34293193       6.72833997       1.24921088       0.67410228      -0.25987831
Cl       7.97271998       5.47449996      10.26400002      -0.11870554      -1.12617182      -0.44038895
Cl       2.83877005       1.55029002       3.75714003      -0.69767712      -0.19711113       0.05864305
Cl       4.98950996       7.07627004       6.27215004       0.41665782       0.09978681       0.68197372
Cl       3.69070000       9.79499998       8.83076004       0.40173911      -0.07729711      -0.27264411
K       11.22160001       5.37414001       7.12529000       0.17937904       0.81067546       0.21591121
K        7.65396003      11.04270004       1.10455000       0.27655234       0.22626613       0.15266854
K       11.20300001       8.98316997       1.45813999      -0.63234679       0.25324466      -0.58743388
K        3.85566998       3.39866006       6.12972996       0.13272461       0.00055785       0.08512363
K        5.45677001       6.38086995       8.92389999      -0.16388807       0.27154782       0.04027097
K       11.19399996       2.13100005       2.15991998       0.34144923      -0.45531250       0.15458080
K        7.05076004      10.13069998       8.16895001      -0.36259821      -0.39310683      -0.42510363
K        5.49446003       3.90578996       0.24488798       0.27733245      -0.94097898       0.57440953
K        5.70882001       0.87455505       3.72157003      -0.25614695      -0.27753328       0.11295296
K        4.72118997       6.97798005       3.59435999      -0.14296183       0.30148804      -0.76063470
K        8.85384003       0.76482800       5.18379000      -0.12324130      -0.60745395      -1.18332473
K        5.08396003       9.17821995      11.19479997      -0.39706392       1.51577766       0.37721755
K        1.92658996       3.18560997       9.80403000       0.27696701      -0.32102985      -0.40099338
K        0.79297697       9.59443004       9.33194001      -0.41064554      -0.19275963      -0.18675473
K        8.08652002       4.42049004       7.37757996       0.10806832       0.30315807       0.23427476
K        8.12096003       6.52088000       1.64166002       0.25851367       0.41140525      -0.11919553
Li       5.92246000       1.92134004       8.36140006      -0.06809084      -1.32454076      -1.09297277
Li       8.79063002       7.29447004       9.45177000       0.67171285       0.40565965       0.76024131
Li       1.97761995       9.02462997       3.26608000      -0.12282135       0.16791673       0.57737041
Li       3.26750999       8.14677004       7.38172998       0.58469268      -0.33499264      -0.09858081
Li       9.96887001       1.06256002       9.46691999      -0.83772105      -0.43204030       1.03226038
Li       2.97109006      11.06880006       6.94380996       0.17523385      -0.76696272       0.19882068
Li       0.29533197       6.15308997       3.36824997      -0.07062881      -1.11984441       0.23267485
Li       3.36139002      11.33789997       1.84383998      -0.45627868       0.68676051      -0.87606904
Li       1.04584995       1.35403198       5.18955004       0.09350234      -0.04429150      -0.31283795
Li       2.34772000       5.99835004      11.20330002      -0.45290811       0.57238792       0.45617604
Li      11.18309999       1.62033001       7.41744005      -0.21148499       0.24034321       0.20841998
Li       9.99753001       4.71986996      11.02639997       0.04117871       0.07977582      -0.10135156
Li       7.80603999       3.68538004       3.95159000      -0.21899717      -0.27052168      -0.59224113
Li       8.18168997       7.85698995       5.18895003       0.00447436       0.21952901      -0.32694081
Li      11.37060000       9.53944004       5.54384004      -0.03392017      -0.22385793      -0.03961800
Li       2.89429002       3.71359997       3.22006997      -0.30879826       0.44346721      -0.14639096
64
Lattice="13.13879184 0.0 0.0 0.0 13.13879184 0.0 0.0 0.0 13.13879184" Properties=species:S:1:pos:R:3:forces:R:3 energy=-545.41208314 stress="0.007369704255267586 0.0003292235407458518 0.0007045952957647852 0.0003292235407458518 0.008008324646251137 -0.00043747749836095973 0.0007045952957647852 -0.00043747749836095973 0.0054662384885051" free_energy=-545.41208314 pbc="T T T" config_type=wetmd 
Cl       4.21462998       0.94943406       1.13231002       0.68985006      -0.15337457      -0.12936384
Cl      13.06349697       4.73842001       3.33838004      -0.82910698       0.02859680      -0.36782928
Cl       1.84378006       7.64108999       3.14590003       1.10456346      -0.43713655      -0.48676727
Cl       7.90394006       5.36178999       2.89436994       0.00374504      -0.39813840       0.90525759
Cl       2.56319999       0.96142295      10.30539995       0.39961787       0.31225213      -0.47681945
Cl       1.54571001      11.14030001       0.44692704       0.39650469       0.63575115      -0.84098130
Cl       0.74916905       4.35718995       6.81737997       0.13313330      -0.21176219      -0.15423865
Cl       0.83547896       7.32590995      12.88027481       0.98230552       0.58750855      -0.14304642
Cl       5.72592004       0.79516205       5.61221996       0.50869581      -0.34723357       0.01290955
Cl      11.82020003      10.23669997      10.96790001      -0.32173742       0.40377657      -0.06593788
Cl      11.19489997       1.13941994      11.83389998      -0.21500946      -0.41700897      -0.30544156
Cl       8.16235001       4.40025996      11.19319994      -0.01421997      -0.32568946      -0.11303029
Cl       4.06556001       7.57165003       6.61205994       0.51606559      -0.03081094      -0.34587797
Cl      11.53969997      12.90189995       8.25794996      -0.09846448      -0.51187216       0.09020997
Cl       7.74292995      12.59489999      10.22529996       0.35961950      -0.26135078      -0.34184407
Cl      10.95150004       1.92725002       5.88323999      -0.10195077       0.67923554      -0.59119013
Cl       7.74877001      10.24290003       6.28124001      -0.17109607       0.25780155      -0.21362035
Cl       2.86142994       4.75971996      11.95150005       0.72497564      -0.30523245       0.08329356
Cl       3.88682002       4.40728001       3.22064004       0.37946026      -0.01170489      -0.70103893
Cl      11.22680003       6.01020999      12.39850002      -0.84587317      -0.01575545       0.34091107
Cl      11.77560001       6.94497998       9.13434994      -0.60205019       0.01528330      -0.17740682
Cl       1.70614005       1.73968995       4.38774000      -0.06469113      -0.22878854       0.19268862
Cl       4.65426000       7.58116002       0.52788197       0.29829833       0.32721975      -0.29108026
Cl       5.17626000      10.07109995       3.43442001       0.04369150       0.09296812       0.42479202
Cl       8.77165005       0.63613300       1.49367002      -0.17674667      -0.23061520       0.35886056
Cl      11.13489997       8.24012995       2.77001995      -0.10317988       0.17413944      -0.10176942
Cl       0.75669495       8.95838000       6.22876000      -0.41307373       0.31457832      -0.25750257
Cl       1.75791004      11.10829996       3.52826002       0.19912076       0.19483145       0.70022849
Cl       7.24433999       7.86171001       9.83794000       0.28356495      -0.06027141       0.01275774
Cl       1.20020998       2.00660004       0.55373202      -0.22821991      -0.24626645       0.18354423
Cl       2.65864005       8.37019006      10.13379997       0.28205511       0.27840431      -0.61356985
Cl       3.70516006      11.29710006       7.26839003      -0.25231110       0.33928690      -0.48683529
K       11.18909998       5.52556003       5.72728004       0.22917609       0.09691548       0.18170692
K        6.86225998       1.25907006      12.33609995       0.15699810       0.20686982       0.12995549
K       11.07089999      11.39350003       0.45952097       0.45896937       0.31869875      -0.13539693
K        3.41393007       1.65279997       7.17726002      -0.29447407       0.02608221      -0.18027830
K        7.68997996       6.31035005       0.33255806       0.06079396       0.42282582      -0.64774237
K       11.07969996       2.85065994       1.27096999       0.25126892       0.11166073      -0.30217141
K        9.99179000       9.69015001       8.56168007       0.01439719      -0.29644822      -0.02545013
K        5.63029000       5.20316995      10.03510005      -0.34049215       0.53448652       0.02845699
K        8.11592001      11.31550002       3.32088994      -0.11922961      -0.01701705       0.15946699
K        6.59880001       2.42677006       3.28872999      -0.03761475       0.22908563      -0.18689015
K        0.75239896      12.37299999       6.24843994      -0.20579645      -0.18180246      -0.35559229
K        5.43823003      10.33030006       9.38584994       0.39993167      -0.56398521       0.06568723
K        0.39146097       3.11042003       9.92670003      -0.21825927       0.20191719       0.29903540
K        1.90409001      11.36100005      10.09070000      -0.67361233      -0.88680560       0.10687980
K        8.64971996       0.77474397       7.62459003       0.09313158       0.00586183      -0.40890275
K        6.54273994       7.41957994       5.03577005      -0.07242122       0.13758151      -0.19445744
Li       5.38787995      11.43170002       5.41918995       0.10891349       0.17017747       0.37098203
Li      12.39139994       8.11368997      11.40239999       0.13133328      -0.70501940      -0.26231737
Li       3.47645994       6.06028994       1.47386999      -0.54450550      -0.16367044       0.37281273
Li       2.16735999       7.89893996       7.58182996      -0.25227567      -0.01907720       0.60195110
Li      10.30899998      12.65932080      10.07540001       0.33800275       0.35461018       0.91866467
Li       3.17017000       9.68518998       4.92370995      -0.47992481      -0.37816076       0.16319910
Li      13.12489336       8.41981002       3.73415001      -0.12598484       0.64835505       0.81952161
Li       2.49782005       0.43841494      12.46569994      -0.31880283       0.20326148       0.71205774
Li       2.22139997       0.03303381       2.13035997      -0.37221610      -0.13351901       0.23400914
Li       3.01862994       7.03303997      11.94330000      -0.35856137       0.21734295       0.09569763
Li      12.78366278       3.05362997       4.85976003       0.49860186      -0.58531949       0.44170434
Li      12.56980004       7.08327995       1.28826997      -0.51977842      -0.44241515       0.25108820
Li       3.12588005       2.97145997       1.40090003      -0.39766786      -0.00423599      -0.05047074
Li       9.97437006       6.03398004      10.41820002       0.10804689      -0.03402775       0.24615459
Li       2.85396001       9.59115998       1.90276995      -0.25055581       0.02694265      -0.08446902
Li       1.94669004       4.79336998       4.21986999      -0.13492853       0.05020655       0.53484536
64
Lattice="12.41972364 0.0 0.0 0.0 12.41972364 0.0 0.0 0.0 12.41972364" Properties=species:S:1:pos:R:3:forces:R:3 energy=-546.8832315 stress="-0.00028347547586433984 0.0010172742373348207 -0.0019742798383992 0.0010172742373348207 -0.0012455008605752839 -0.001609583941321234 -0.0019742798383992 -0.001609583941321234 -0.00026790834070820066" free_energy=-546.8832315 pbc="T T T" config_type=wetmd 
Cl      10.89109996       2.38169997       3.70160995      -0.99766549      -0.42649278      -0.50258487
Cl      10.14820003       8.35876997       3.03063997       0.33385394       0.02897906      -0.04217549
Cl       3.03873006       1.26981999       1.05155999       0.13433387       0.17169202      -0.62676993
Cl       4.06643002       9.77180006       4.93247995      -0.26653803      -0.26965628       0.45460975
Cl       7.25916006       6.79348003       9.57853003      -0.15832019       0.39292355      -0.11826766
Cl      11.02660001       9.17222995      11.47099995      -0.30408974      -0.77695329      -0.19049417
Cl       7.08366005      10.56670000      12.25990005      -0.10970468      -0.35024532       0.15223668
Cl       5.97730995       2.64652003      12.01969999      -1.15888452       0.43546836       0.82207859
Cl       7.79861001      10.16019996       4.97474005       0.34940297      -0.46806301      -0.07338483
Cl      11.53030004       6.03545996       0.87285197       0.32624973      -0.49994427      -0.00028731
Cl       8.99207006       2.68562999      12.00119994       0.99162292      -0.96648414       0.81481074
Cl       0.05187632      11.75570001       1.74830003      -0.66613894       0.24692356       0.81428717
Cl       0.70550898      10.43010006       7.68159000      -0.08980782       0.07573525      -0.29001438
Cl       3.37908004       5.82601995      11.94060001       0.53477393      -0.59476329       0.22599947
Cl       1.19809000       6.70814001       9.45588998       0.01055954       0.50810282       0.17903709
Cl       8.28531004       5.06239002       6.12161000       0.30294218       0.21710405      -0.51456917
Cl      11.63030005      12.26810005      10.71129999      -0.11441979       0.16295581      -0.00852623
Cl       4.55081998       6.26856998       6.29844003      -0.02755499       0.88981396       0.19627753
Cl       5.33470997       4.89828995       2.63739998      -0.69028751      -0.58483908      -0.21618476
Cl       1.69284000       1.66826994       4.13048003       1.04867741       0.40869311       1.64310755
Cl      10.51359997       7.66113000       7.29823996       0.04726382       0.11377550      -0.10759546
Cl       1.38388000       8.61011003       1.05233001       0.41026503      -0.33798475       1.22400654
Cl       6.03889004       0.96768898       3.74091999      -0.51816964       0.52605298      -0.64000166
Cl       3.42720995       9.54796000      10.85249995      -0.16225919      -0.49089135      -0.12159826
Cl      12.37810005       5.44834001       4.51550003       0.05232496       0.80989090      -0.39500098
Cl       4.80814002       2.12684004       8.50609000      -0.26520870      -0.22131701      -0.43036296
Cl       0.35897497       2.92630001       0.55690103      -1.03580764      -0.26752775       0.59723939
Cl       8.00818999       6.02665997       0.32263002      -0.30358411       0.52294089       0.81210033
Cl       9.70015999       1.06265006       7.72889996       0.30279508      -0.17584332       0.13007355
Cl       1.26591995       1.75708997       7.90588003      -0.15882873       0.16290254       0.22644349
Cl      10.32970001       4.70255001       9.48213000       0.03264814       0.00052828       0.01941814
Cl       6.29005001      10.96390003       9.02037995      -0.18941743      -0.01037322      -0.60686124
K        6.15471999       8.64260003       7.10662002       0.05282802       0.04818913       0.23816609
K        7.38286001       0.27546699       6.11377998      -0.13891545       0.07850799       0.60388980
K        3.99567995       3.79290995       5.54095004      -0.21289151      -1.33233465       0.01933537
K       11.48029997      10.69590003       4.57899996      -0.16861336       0.17660457       0.37653168
K        9.15052003      11.95789994       1.28066999      -0.04193745       0.01370736       0.10818041
K        1.81804994       5.14624004       1.95343996       0.37326793      -0.05759025       0.25044243
K        7.78557004       3.20758005       2.97698006       0.41878858       0.20159615      -0.15312290
K        7.39697005       2.68471999       9.53237002       0.26368090      -0.04072321      -0.61963348
K       11.53769995       3.27365000       6.37469006      -0.05531637      -0.06017910       0.36406631
K        3.72952005      11.54030002       2.69448003       0.15516121      -0.33408374       0.27653151
K        9.15270006      10.48779998       9.28129996       0.29733899      -0.01142676       0.09814690
K        4.64704999      12.22695463      11.20100001       0.18536648       0.42427311      -0.10253678
K        6.36166003       7.22946003       4.07995001       0.13313919       0.40665802      -0.03104812
K        1.95712998       3.34238994      10.79610000       0.65032163      -0.10036101      -1.06273403
K        3.39801999      12.04000003       7.20171002      -0.02198282       0.10662725       0.02127574
K        1.90541003       7.70855000       6.56147003       0.01733178      -0.05494466      -0.12488769
Li      10.07429994       6.51647002       5.17109998       0.17920135       0.04209050       0.31259835
Li       8.87681999       4.71601001      11.29019995       0.27648210       0.41995757      -0.24977591
Li      10.06239998       7.64600004       0.68897100      -0.76905221       0.09648669      -0.09708042
Li       0.88610903       9.09780997       9.44399996       0.08266478       0.03649786       0.37205246
Li      11.91940004       0.49283699       8.53368998       0.00004609      -0.07418570      -0.03404934
Li      11.49719998       6.55395995      10.11960001      -0.20212189       0.09446314      -0.00169903
Li      12.26350003       7.63649001       2.44296995      -0.32353946      -0.41098695       0.06852192
Li       2.22535006       7.61843000      11.75260005       0.22335204       0.34628424      -0.87640929
Li       5.99265004       8.80743994      11.12430001       0.03009044       0.17071678      -0.35846598
Li      10.96289999       1.61614995      11.85260006       0.42750549       0.46524030      -0.08940248
Li       4.54014995       2.61316997       1.98027997       0.60470961      -0.16284045      -0.12151892
Li      11.37420001       3.89071006       2.18163996       0.03915592       0.20736337      -0.20432084
Li      12.30719995      10.05760001       0.65280800      -0.23885895      -0.31353580      -1.03699658
Li       8.99099998       6.14050996       8.19390000      -0.14974295      -0.01963793      -0.21254664
Li       1.01438999       1.14831001       2.32365006      -0.23387732       0.56371493      -1.27724472
Li       5.46315003       4.98319999       0.02272735       0.48539082      -0.15925251       0.11668751
64
Lattice="12.19178498 0.0 0.0 0.0 12.19178498 0.0 0.0 0.0 12.19178498" Properties=species:S:1:pos:R:3:forces:R:3 energy=-545.60797402 stress="-0.007002738770709192 -0.001716161953871896 -0.0008614240727784811 -0.001716161953871896 -0.011391042693462328 -0.0036062406759593134 -0.0008614240727784811 -0.0036062406759593134 -0.013320527258314117" free_energy=-545.60797402 pbc="T T T" config_type=wetmd 
Cl      10.92660005       1.68673004       1.05733999      -0.16744535       0.34638153       0.41341385
Cl       8.15969005       7.43981002       3.83163004      -0.38601610       0.55079077       0.93725508
Cl       6.34963999       3.20619001      10.07220000      -0.07861102       0.58683328       0.44286940
Cl       5.33170994       4.43818999       6.49355999      -0.14195499      -0.09179007       0.12022154
Cl      10.88769997       5.52031003       6.90385001       0.02764816       0.43706295      -0.14554290
Cl       7.63627002      11.60130001       8.51687997      -0.72383121      -1.18634599      -0.01442926
Cl       8.92065994      11.65849997      11.46310004       0.03371703      -0.33337614       0.29511817
Cl      10.25650005       5.35752995       0.64118597      -0.13216374       0.27436169       0.44764824
Cl       6.67096997       8.69113996       6.52248000       0.34343968       0.38163529       0.01768596
Cl       9.58090996       2.58440995       8.34728005      -1.03400914      -0.88588244       0.78437338
Cl       1.01077005       2.36585001       7.13565997      -0.59602963       0.00260460       0.65872347
Cl       7.17820004       1.56246003       1.63879999       0.14653036       0.01690386       0.77448273
Cl       3.58146997      10.97220001       2.34177002       0.16973298      -0.28307159      -0.39264350
Cl       1.27337001       8.87368999       4.49254000      -0.10691129       0.24694424       0.09929390
Cl       2.83856002       5.80773002      10.81649994       0.15386608       0.50798794       0.34171023
Cl       1.11550005      11.50760005       9.18917998       0.10528519      -0.49296139       1.09830127
Cl       0.13601497       8.68456005       0.08364089      -0.23549912       0.31634394      -0.45842920
Cl       6.46410000       5.97995995       0.44419196      -0.20556370       0.39057119       1.15024629
Cl       8.28292998       6.10782995       9.18730001       0.04987106       0.57665439       0.71950179
Cl       2.07292994       1.74982996       4.27083995       0.25597740      -1.38428693      -0.86516882
Cl      11.06880003       8.88382003       7.65945002       0.36707875      -0.08022718       1.49778961
Cl       1.95384997       5.78742997       7.46672997      -0.37586440       0.88792252       0.70355030
Cl       8.26435994       3.29083001       4.74854005      -0.25525735      -0.39985104      -0.45380725
Cl       3.20574001       4.86008001       2.08359995      -0.14199428      -0.49338862      -0.59756608
Cl      10.01830000      10.67450003       2.49477997       0.08914295      -0.41067216      -0.32169479
Cl       5.71763005       0.29337397       5.55122998      -0.69363375       0.09478692      -1.30625974
Cl      12.14069994       4.36774001       3.88454994      -0.65761502       0.45732732      -0.66255437
Cl       4.06828002       6.92971000       4.29313994       0.05494054       0.98556034      -0.10498448
Cl      10.41359997      11.60729996       5.83513996      -0.38455958       0.41722682       0.12734753
Cl       1.85158004       2.46608002      11.38089997      -0.60667550      -1.07914737      -0.11438778
Cl       4.47461003       0.62687403       9.08905995      -0.58294340      -0.14531242      -0.33333271
Cl       3.97287004       9.19779994       9.97105000      -0.11502848       0.09880088       0.06732486
K        8.08576005       5.70068005       6.38824003      -0.29008208       0.25027628      -0.01076023
K       10.39979997      11.89289996       8.90982998       0.45627857       0.19482028      -0.27429584
K        2.45898001       4.43196999       5.14672996       0.47244657      -0.23494245      -0.13598898
K        7.72681000      10.84489997       4.34402004      -0.07814713      -0.51911710       0.25091195
K        9.15074002       2.92034995      11.27139994      -0.38275258       0.02841646      -0.12410285
K        0.89655497       6.77419001       2.43086002      -0.16576155      -0.06957762      -0.05881950
K        5.91891995       4.83842996       3.58421995       0.05174566       0.23667835      -0.31267645
K        6.88094006       1.94174000       7.48362997      -0.00423013       0.64122532       0.01886053
K       10.85749994       2.00310003       4.90862002       0.46711018       0.15418048       0.04780503
K        0.59142702      11.92470003       1.97594003       0.39715317      -0.20896994       0.19188207
K       10.40090003       8.96340995       5.08608998      -0.12170469      -0.59702442      -1.17383758
K        5.42382997       1.03333997      11.69400001      -0.04190654      -0.29207216       0.32734811
K        4.34314003       7.43740994       7.47701995      -0.25398938      -0.43628253      -0.01615369
K       11.51620001       5.99046001      10.20649995       0.09543420       0.18485536      -0.52148223
K        1.10601996      11.30990002       6.39638000       0.17461318       0.27935688      -0.34189242
K        3.50021002       3.46850004       8.76621002      -0.15132275       0.35339748      -0.26671744
Li       8.68752997       6.52828999       2.16975003       0.35645811      -0.96421955      -1.92547981
Li      10.07970002       9.78153005      11.97793900       0.27896313       0.13272836       0.54788956
Li       5.30347999      10.73629994       8.93034997       0.17984602       0.15148538      -0.15601444
Li       0.20830701       7.18694996       6.78713000       0.32808890      -0.25272291       0.13751846
Li       4.00122996       6.44167004       0.72393100       0.54134658      -0.19403529      -0.55442318
Li       1.51971002       9.43272003      10.46640003       0.33423653       0.20801887      -0.22810487
Li       2.67943004       4.10438002      12.14223964       0.54196371       1.02226035       0.92825306
Li       3.60479005       9.01222000       3.45729006      -0.29255393      -0.29943150       0.50474870
Li       7.91221998       9.32610994       8.21080996       0.32832533      -0.03524344      -0.04788624
Li       2.45854001       0.89739901      10.12600003      -0.18927489      -0.77812169      -0.79597087
Li       6.75999999       1.78713000       3.88495995       0.08472026      -0.08093158       0.32947239
Li      10.98640002       3.75408004       2.09217004       0.11657849      -0.07673666      -0.10566911
Li       9.06166001       0.20550802       1.46391005       0.21143084       0.28131019      -0.43572984
Li      11.11009995       3.49828006       7.54010001       2.03010870       0.40549738      -0.55713944
Li       3.68038997       0.20191498       3.97424003       0.20202330       0.58631030       0.55509665
Li       6.63694001       5.48996004      10.58599998       0.14723112      -0.38177601      -0.72269824
64
Lattice="12.61710409 0.0 0.0 0.0 12.61710409 0.0 0.0 0.0 12.61710409" Properties=species:S:1:pos:R:3:forces:R:3 energy=-546.76526774 stress="-0.0008406420506420113 -0.0005082867952431927 -0.0008116090155845071 -0.0005082867952431927 0.0006258816456198785 0.001231352426684967 -0.0008116090155845071 0.001231352426684967 0.0012226271651760206" free_energy=-546.76526774 pbc="T T T" config_type=wetmd 
Cl       8.24075997       2.41089000       0.94211096       0.02282692      -0.04146956       0.12197980
Cl       9.52065995       6.95049996      12.20570310      -0.24409034      -0.26478138       0.33688015
Cl       8.84769996       3.17993000       8.54989000       0.33823515      -0.04551466      -0.21019486
Cl       5.56002998       1.93293997       6.72002003       0.38808606       0.65081569       0.18897081
Cl      12.37449610       3.53722999      10.71269997       0.11933261       0.31724903       0.15537988
Cl       9.33804995      12.21399998       7.44926998      -0.41329111      -0.10163574       0.00638730
Cl       8.32801999      10.49620006      11.42049996      -0.62791952       0.06278797      -0.10875872
Cl      12.31218603       2.18595997       1.61141994       0.18425750      -0.14067959       0.46187145
Cl       9.21056005       8.06799005       5.35283000       0.33027888      -0.18769431      -0.43508643
Cl      12.38659994      12.54209995      10.80179994      -0.70399663      -1.63340298      -0.43626477
Cl       9.56475004       2.35286003       4.79611000       0.05021738      -0.47292525      -0.06116883
Cl       2.90319994       4.12299002       4.80888002       0.23899026       0.42899163       0.16765460
Cl       3.87299005       0.47994795       2.78263998       0.06458110       0.02503315      -0.04604332
Cl      12.52068443      10.33100002       3.50931994      -0.28994808      -0.34639827      -0.11766519
Cl       3.18931006       4.48925004       0.39013297      -0.65513414      -0.12506564      -0.38007783
Cl       2.79821996       1.39569005       9.60577002      -0.29337714       0.03352585      -0.08173323
Cl       1.47511005       8.28006994      11.67459998       0.19823724       0.03399115      -1.57186398
Cl       5.86839995       6.91887001      11.03040004      -0.09769994       0.00174555      -0.18159602
Cl       9.73417996       8.32972998       9.17927998       0.52142888       0.69709953      -1.81310320
Cl       1.18897003       0.93395299       5.21920995      -0.79532023      -0.19441601      -0.29271850
Cl      12.02059996       5.99872000       6.78127002       0.09157644      -0.48218112       0.37898394
Cl       6.32875001       8.83579004       3.45606996       0.30817790       0.24676980      -0.15783876
Cl       6.29838001       6.40305996       6.74216002      -0.07822945      -0.12541128       0.09279997
Cl       0.28989588       5.91822994       1.81347000       0.09531241       0.34580563      -0.44123338
Cl       9.58011995      11.86810005       2.09708004       0.26340603      -0.19658574       0.40128238
Cl       3.47520998       5.34431005       8.68811996      -0.99456378       0.60021244      -0.29952766
Cl       7.66737996       5.14268002       3.42988001      -0.07844588       0.38916636      -0.18388933
Cl       3.15087004       8.58931996       2.95923994      -0.34295751      -0.51411471      -0.85084170
Cl       0.88057697       8.85121004       6.98393995       0.47396901      -0.47026040      -0.01634092
Cl       4.60076998      10.31600005      12.47195705       0.05406750       0.87959847      -0.94287206
Cl       6.06124002       1.14741004      10.91809999       0.49214062      -0.43512432      -0.56193618
Cl       4.54588002      11.42449996       7.67152998       0.06207697      -0.66456708       0.35365190
K        9.10156997       4.92575996       6.03371998      -0.09958025       0.03649229       0.13381484
K        1.75614999      10.51299998       9.05503998       0.40095053       0.72670344       0.74065064
K        1.38545001       2.99110999       7.08715997       0.11927157       0.30942504       0.87136311
K        6.95464001      12.33920001       1.18694006      -0.58184706      -0.26259582      -0.27013946
K        5.95499000       4.55940001       0.69858596       0.67100796       0.10556945       0.20188604
K       10.43459995       4.52304004       1.42427006      -0.70025474      -0.11480094      -0.07806614
K        1.28897004       6.65932003       4.35450997       0.03323880       0.28293641       0.15555328
K        9.42056998       0.60591699      10.60639999      -0.12986196       0.28534202      -0.10946555
K       11.49059996      10.73029995       6.20412999      -0.28154091       0.36121281      -0.34477436
K       12.49459996      11.64189998       0.84380101      -0.23565561      -0.06142190       0.65659545
K        9.13352001       8.43015002       2.39134005       0.18773737       0.19481766      -0.44622861
K        3.75839003       0.75184604      12.46670001      -0.54929730       0.15886465       0.19288981
K        7.47719996       9.70559995       6.78806004      -0.69583010       0.53000382       0.36553075
K       11.06260003       6.02167001       9.91197994       0.27598210      -0.63870390       0.25249023
K        2.45279998      10.80069999       4.68856004       0.61544211       0.37775208       0.15801425
K        6.29740004       4.28707003       9.08151004      -0.28698060      -0.05311715       0.31246363
Li       0.81437199       4.29320005       0.06303795       0.41156146      -0.12656442       0.39978055
Li       8.11293003       7.78464005      10.34669999      -0.82508610      -0.06126577       1.47730378
Li       4.85308001       0.84976398       8.69423005       0.02323934      -0.00928116      -0.12696847
Li       1.59249000       6.76775003       7.92369997      -0.09549468      -0.14534781      -0.28397768
Li      11.61669996       1.69750001       4.22630001       0.70582110      -0.24091088      -0.47089016
Li       3.31880003       6.99803994      10.63979999       0.54847176      -0.35894193       0.39261958
Li       0.81962500       1.59357002      10.69549996       0.78764213       1.37094877      -0.25171229
Li       5.01172003       9.03021003       1.44833000      -0.01913531      -0.56558472       1.11136379
Li      10.41419998       7.71660004       7.05716003       0.56473743      -0.13139457       0.56350304
Li       6.20645002      11.07760000      10.73750003       0.00960321       0.08262487       0.25205750
Li       4.70831994       4.78597001       6.19772000      -0.09939731      -0.33760122       0.00460061
Li       6.76593002       6.92544996       4.61267005       0.19468233      -0.01901864      -0.43224260
Li       9.00117000       1.26378996       2.85796005       0.12074529       0.36061058      -0.36430483
Li       7.95945003       1.28696001       6.68395000       0.03281648       0.42205418       0.28127276
Li       2.57427999       2.13561003       3.72605996       0.12399306      -0.29570754      -0.15175261
Li       1.75961994       7.79305995       1.05149002       0.09079282      -0.45366393       1.33168182
64
Lattice="11.58341243 0.0 0.0 0.0 11.58341243 0.0 0.0 0.0 11.58341243" Properties=species:S:1:pos:R:3:forces:R:3 energy=-546.38363657 stress="-0.02554488446446316 -0.0018351079224535895 -0.002387355801066499 -0.0018351079224535895 -0.0257842771288053 -0.00127110193942483 -0.002387355801066499 -0.00127110193942483 -0.025325732215303088" free_energy=-546.38363657 pbc="T T T" config_type=wetmd 
Cl       5.14064998       1.38321003       1.64494001      -0.48535380      -0.50494312       0.09431397
Cl       8.74138003       5.83213001       0.44022296       0.13950654       0.55959484       0.27254431
Cl       9.23432002       1.93052997       7.62925000       1.03881150       0.09129899       0.79602163
Cl       3.79729002       3.62405001       4.80816006       0.59298205      -0.26086171      -0.07232941
Cl       0.62507904       1.05307003       6.03164004       0.05165327      -0.08892798       0.37326942
Cl       7.30597005       1.38630002       5.10798001       0.52723906      -0.06188748       0.28091248
Cl       7.56704001       9.87417000       0.20858760      -0.94407346       0.87132569       1.91751305
Cl       9.75716004       2.79161004      10.89100005       0.32064184       0.03663503      -0.19931143
Cl       9.69639995       8.67963998       5.70717997       0.26464951      -0.05508068      -1.05497509
Cl       1.21012998       0.28238761      10.06320005       0.94214291      -0.63372428      -0.70117193
Cl       9.63859003       3.09084005       3.54410998       0.12802720      -0.38435775      -0.29780754
Cl       4.31744002       5.90575997       7.73432000      -0.52375228      -0.42088484       0.99576705
Cl       2.65718998      10.89349998       3.72068995      -0.36403037      -0.04405373      -0.57010357
Cl       4.01228997       8.46758001       1.85281002       0.17352216      -0.43473524      -0.16307293
Cl       2.00720000       3.06258000       0.38428758      -0.19520457      -0.41307020      -0.29832719
Cl       1.98079005       3.21853999       8.05117996       1.08773229       0.22335200       0.68132084
Cl       5.19652002       5.11264997       0.94900396      -0.25841593      -0.10310391      -0.30704552
Cl       7.29221996      10.48050002       7.79821005      -0.11045317      -0.46048174       0.98211255
Cl      10.03560003       9.67361005       9.93647995       0.77436522      -0.32288105      -0.26438329
Cl       4.08826997       0.15848761       7.87656002       0.45718740       0.23380249      -0.37711299
Cl      10.72790004       4.98426997       7.48573997       0.58045600      -0.09883334      -0.12731095
Cl       3.93669998       8.79384003       6.20443003       0.12027035      -0.37186378      -0.83698392
Cl       4.37626001       8.94641002       9.90423000      -0.10712681      -0.39024268       0.45275679
Cl      10.53209995       8.58694997       2.18140004       0.34715931      -0.64568766       0.50307555
Cl      10.57909999       0.27718758       1.60281994      -0.00503731      -0.20022026      -0.59918949
Cl       7.70174003       6.44954998       7.90744997       0.50887964       0.64333592       0.13366054
Cl       6.68726999       6.28103994       4.62464996      -0.32505849      -1.07863038      -0.61821340
Cl       1.68209995       5.55229005       2.98902000       0.22285168       0.51682587      -0.52520241
Cl       0.83650204       7.83882995       7.50989000      -0.03616016       0.17142135      -0.09141747
Cl       6.28644001      10.19949998       3.23080995       0.40455587       0.55343112       1.43690687
Cl       5.81826003       2.84598003       8.47639997      -0.11627872      -0.61130051      -0.44064975
Cl       2.00841997       6.36568005      10.65250002      -0.29619902       0.51470989       0.07378312
K        8.67455995       4.07515998       5.90602998      -1.10796148       0.26253547      -0.01881292
K        1.63916001       9.15271001       0.31328752      -0.35985888       0.50571689      -0.13699697
K        1.60934998       5.19804996       5.69608005      -0.47582855       0.05938443       0.95896258
K        9.00974001      10.77489997       3.85468999       0.55767348       0.70291618      -0.05038227
K        6.56254003       3.38617004       3.04147004       0.23631140       0.87870305       0.38672546
K       11.11050004       4.30340000       1.60577001      -0.28412884       0.49890021      -0.79395960
K        1.11116003       8.65611001       4.41964997      -0.38584907      -0.40372335       0.16649472
K       10.30880002      10.83340003       7.29838001       0.45306522       0.34516587       0.51945562
K        1.03745003       1.61845998       3.27024996      -0.05095336       0.42924418      -0.18894831
K        7.77030005       1.24748997       0.71448596       0.83953083       0.04928405       0.01123844
K        7.35217002       7.85123996       2.20977998       0.42415736      -1.67634481      -0.16803211
K        4.24642004       1.47788995      10.55070001      -0.56097355      -0.19200894      -0.31472009
K        6.88886005       8.66701996       5.78536997       0.09996273       0.12708702       0.32465424
K       10.59710004       6.63956000       9.77394997      -0.07158110       0.08265068       0.53261547
K        4.75526996       0.70403795       4.84035997      -0.72362481       0.42520035       0.40405812
K        7.47549004       4.34186006       9.96144997       0.28771244       0.63333256       0.24008582
Li       2.43224996       4.33939001      10.10340006      -0.06547075      -0.57987812      -0.31558848
Li       9.76518005       9.55460994       0.49556398       0.20305850       0.63582092       0.06662852
Li       4.99034999       9.79719996       7.91891002       0.08421093      -0.05656802       0.39325092
Li       2.78947001       7.43214005       8.58148005       0.19458574       0.22213457       0.08604443
Li      11.16990001       1.10242000      11.01040001      -0.70459346       0.27116472       0.71222058
Li       7.86751998       9.40802001       9.94566004      -0.02826851      -0.67250957      -2.76080508
Li       2.08511003       0.70504594       7.89355995      -0.96148821       0.31200477      -0.08093066
Li       4.35161005       9.50783995       4.01418999      -0.55603578      -0.46416466      -0.26851830
Li       9.82852996       6.99424999       6.94378002      -0.10008091      -0.45402814       0.44021715
Li       5.64057002      10.07929996       1.25668001      -1.18198334       0.22621717      -0.69635966
Li       3.99154998       6.85136999       0.05968759       0.44044966       0.25688721       0.13489779
Li       4.71833996       6.43662996       5.78348002       0.34071861       0.16653912      -0.92151880
Li      11.45060003       2.85129994       7.80661996      -0.81034086      -0.48326958      -0.20670172
Li       7.36473003       1.01847003       7.60134996      -0.95398827       0.74584460      -0.41056254
Li       4.25750003       3.71916998       7.12332002      -0.15447016      -0.24789834      -0.04474838
Li       3.18063003       4.19055996       1.78183996       0.46055329       0.56369865       0.55068616
64
Lattice="11.74833898 0.0 0.0 0.0 11.74833898 0.0 0.0 0.0 11.74833898" Properties=species:S:1:pos:R:3:forces:R:3 energy=-547.62406876 stress="-0.013966695450110016 0.0038643966586583214 0.0013332386344106115 0.0038643966586583214 -0.016639832690036466 0.0025036584780503625 0.0013332386344106115 0.0025036584780503625 -0.018551727284073477" free_energy=-547.62406876 pbc="T T T" config_type=wetmd 
Cl       7.00631004       0.07686104       2.33932996      -0.48860983       0.44293984      -0.56617997
Cl       6.07876000       4.14740004      10.53320006      -0.85575537       0.45253414       0.77123545
Cl       8.59952003       2.29310001       9.70308005       0.27633892      -0.88303287      -0.24475705
Cl       2.10929995       2.09509997       5.97018996      -0.62895717       0.65371145      -0.67204169
Cl       0.92376297       0.77596099       8.91184997       0.41725453       0.46474424       1.33620106
Cl       7.87022004       0.86866102       5.95065999       0.09297150      -0.49313335       0.05250648
Cl      10.40279995       7.56136995       2.20632995      -0.48614259      -0.16944096      -0.43749398
Cl      11.18999999       4.08182997       7.80571002      -0.45830036      -0.07298522       0.30592808
Cl      10.25090004       8.75502997       6.15949999      -0.46001866       0.75103277      -0.72142707
Cl       2.44916001       3.69808000       9.51486002       0.51341042       0.53281536      -1.01153873
Cl      10.85430002       0.60876098       3.76819996      -0.41532411      -0.42596091       0.11695441
Cl       4.41123002       4.68358001       4.27584004       0.15922376      -0.31098941      -0.52739091
Cl       3.05311005      10.89679999       3.34249995       0.23567314      -0.31445473       0.18511872
Cl       3.58741005       9.58645006      11.58609994      -0.42221619       0.53633628      -0.03227336
Cl       2.84028995       1.94948001       0.05386096       0.62803400      -0.44122319       0.88472474
Cl       5.08658998       7.38895004       9.19353003      -0.23974210      -0.22916626      -0.25731497
Cl       4.08743005       6.19355995       0.76231095      -0.95748319      -0.60242272       0.41390046
Cl       5.36535997       0.02785038       9.04191995      -0.72252606       1.04764153      -1.12682947
Cl      10.40400005      11.17449994       0.12735105      -1.37750930       0.91315434       0.90059912
Cl       2.12088006       9.44831003       7.75722005      -0.73263969       0.31043535       0.22649293
Cl       7.34778996       5.71403998       6.61502997       0.80701130       0.37618405      -0.06343877
Cl       2.30802005       7.30486001       3.68794000      -0.52061013       0.03538843      -0.17313802
Cl       6.06997001       8.34886005       2.93372002      -0.00268616       0.11287514      -0.67254674
Cl       9.85605998       7.63362000      10.13860002      -0.27453577       0.73695822      -0.06161547
Cl      11.21550000       3.66536005      11.65370000       0.13279130      -0.04937967      -0.10212374
Cl       6.87156000      10.18069996      11.07059998       0.31328687      -0.73947802       0.27348311
Cl       7.92541996       4.10841000       2.65933004      -0.00035976       0.36660419       0.74126097
Cl       0.23544799       4.15940002       3.86888005       0.05546373       0.27033976       0.00213431
Cl       2.55351005       5.55248998       6.62446001       0.30878045       0.42540087       1.23280910
Cl       5.15565001       8.28110997       5.80770996      -0.71496580      -0.04781034       0.77249600
Cl       5.47370997       3.28943999       7.45064996      -0.42561089      -0.47370799      -0.41826483
Cl       1.41886006       6.81093998      10.35339995      -0.22213236       0.03676821      -0.09006664
K        9.63417005       2.94815004       4.90180000      -0.16181119       0.05735317       0.61391481
K        0.13162698       9.80737005       2.66515005       0.73898410       0.26199115       0.17543030
K        9.44377000       6.19796006       4.48989995      -0.18163485       0.02105255       0.13151358
K        8.63236005      10.29149995       3.91771002       0.00321750      -0.45213115       0.33996297
K        5.96233995       2.34083998       3.85750002      -0.20066810      -0.37604899       0.53896682
K        0.06866105       6.89454997       7.32063004       0.34694427      -0.08368952       0.71058280
K        1.13996001       5.63369004       1.61305000      -0.40588531       0.33771713      -0.65381757
K       11.32070003      11.54290001       6.93402004      -0.68222662      -0.44892845      -1.49216867
K        1.55224999       1.50941003       2.77714004       0.34531596       0.67638667      -0.11420865
K        9.11580995       2.19573002       1.19981004       0.58448055      -1.06047992      -0.33045513
K        6.75533004       6.13083005       1.16615000       0.97395425       0.25814887      -0.68015843
K        6.33343004       1.46845003      11.47860005      -0.45286963      -0.43847858       0.04202366
K        7.98569000       8.98064002       7.95998005      -0.55353861      -0.24864479       0.10690707
K        0.61547304      10.04709996      10.71590000       1.69796705      -1.17662177      -1.14651766
K        3.44296000      11.66569999       6.43856005       1.14765004      -1.10927639       0.00164641
K        8.48164002       5.17786001       9.44242000       0.21330176      -0.01089903      -0.46586638
Li       0.56210504       4.73969995      10.05650004      -0.44777792       0.17490283      -0.32240783
Li       8.89598995       9.46394002      11.44419998       0.48072108      -0.29608076       0.07545652
Li       5.01368002       9.72149005       9.60650001      -0.21496210      -0.42477298       0.54207573
Li       3.44182006       7.53664005      10.87089995       0.18834783      -0.11927503      -0.18833938
Li       3.10067003       1.42049002       9.43002997       0.21289754      -0.04411789       0.44870464
Li       5.27324994       9.86314000       1.30221996       0.42636713       0.27107937       0.16973523
Li       4.60161996       4.79531999       8.85505005       0.17370074      -0.01207428       0.05457691
Li       3.75017002       8.81209001       4.01087999       0.67159545       0.94763698       0.32954636
Li       5.10109002       5.79354005       6.22006996       0.21315085      -0.06801130      -0.12541376
Li       3.18852998       7.66132000       7.47343998       0.93916573      -0.37430031      -0.18430086
Li       4.60447997       6.58335997       3.28943000      -0.22164526       0.28065490      -0.31253333
Li       2.15918998       5.18470999       4.52643000       0.04486432      -0.31250777       0.00386903
Li      10.85100003       1.91962995       9.95191997       0.14531697       0.22669754       0.10618123
Li       7.03673002       1.61505003       7.86236005      -0.26268650       0.27412663       0.42091726
Li       1.58121000       3.41590005       7.62288002      -0.26365267       0.10100096      -0.98207356
Li       3.35817000       4.21769998      11.29240004       0.96730121      -0.04508839       1.14884639
64
Lattice="11.34786339 0.0 0.0 0.0 11.34786339 0.0 0.0 0.0 11.34786339" Properties=species:S:1:pos:R:3:forces:R:3 energy=-542.42906101 stress="-0.03855626019505577 0.0031382323988034568 -0.0009470475104313794 0.0031382323988034568 -0.047801597037259676 -0.007388807348898248 -0.0009470475104313794 -0.007388807348898248 -0.0379296110435417" free_energy=-542.42906101 pbc="T T T" config_type=wetmd 
Cl       9.88238999       8.61009001      10.32379997      -0.43498030       0.94858841      -0.39097084
Cl       7.68650001       5.03436997       9.95849001       0.63614597      -0.18072756       0.22292571
Cl       1.22430997       9.05617997       0.38433659       2.15418966       1.21283070      -1.35635292
Cl       6.38977001       3.62414001       6.11602005       0.24907539      -0.16985422       0.60568462
Cl       1.29673998       5.72976001       0.19023660       1.13050309      -1.23760744      -0.50519799
Cl       3.69616002       2.18238999       8.39253002      -0.11460637       0.56038653       0.27235843
Cl      10.83679999       5.17380004       3.65140995      -0.39960995      -0.28620574      -0.72818936
Cl       0.99693295       4.09553003       8.71250005      -0.20871493       0.26028352      -0.42000463
Cl       8.34886004       8.02587999       2.07340001      -0.27412877       0.06919467       0.31387010
Cl       4.45348998       4.12131998      10.98140003       0.36355964      -0.50080557       0.53592507
Cl       9.66991997       1.01984996       2.72079005      -0.29828140      -0.36823748       0.07117569
Cl       5.10653001       5.18870999       2.90607002       0.70801372      -0.57096255      -0.64410236
Cl       2.11139004      11.12109994       3.25175999      -1.94428005      -0.52798073      -0.40309537
Cl       2.93202996      10.59489997       8.82243997      -0.67051773      -0.01824288      -0.02180101
Cl       4.41037003       1.43622996       4.27770000       0.26908630      -0.47508086       0.69672245
Cl       5.32407003       9.58073995       2.88066000      -0.01410686       0.07275842      -0.24039720
Cl       2.46036998       3.70257996       2.65498005      -0.74260613      -1.37684348       0.42912227
Cl       4.35313004      11.23640002       0.44893657       0.52631560      -0.01525263      -0.18727675
Cl       1.63129996       1.84645000       0.03583667      -0.54425181      -0.34590940      -0.23892139
Cl      11.20839996      10.60140003       6.64729002       0.28178664       0.68861524      -0.00522959
Cl       5.65465996       6.96323996       5.11474995       0.19755655       0.57862873      -0.67875689
Cl       7.07104001      10.56780003       5.29163999       0.76905796      -0.60269730       0.66113235
Cl       5.76215997       9.34268004       8.89397996       0.57360021       0.22526205       0.06132048
Cl       4.21612003       7.50196003       0.43196902       0.46112017      -0.02739566      -0.78750731
Cl       9.10497998       1.06078999      10.13490003      -0.65115509       0.13058690      -0.06793225
Cl       9.35366001       7.44420996       6.50450996      -0.08999072      -0.06572849       0.03912068
Cl       6.71567997       2.28743002       1.97486004      -0.32477900       1.11715632      -1.20585241
Cl       4.26127000       6.36370998       8.43538999       0.87845091      -0.13959012       0.97510330
Cl       1.64376003       7.88519996       7.57941998      -1.34702811      -0.58812054       0.52255316
Cl       2.57282004       7.42838003       3.05772003      -0.96111621       0.17800124       1.28366275
Cl       3.75284997       9.35315003       6.16596995       0.20475292       1.08523622      -0.54210307
Cl       3.24168002       5.11223005       6.01689000      -0.83541864      -1.69511720      -0.81653186
K        7.44328999       1.76643996       4.50947001       0.63744963      -0.06890382       0.05912204
K        9.63288996       9.44465001       4.29782998       0.29553935       0.08265948       0.20112759
K        6.92355001       6.09323003       7.19818998       0.50451992       0.01778654       1.58720750
K       10.99480004       7.32053005       1.34720994      -1.32594540      -0.35094085       1.87046894
K        0.20970999       2.38441998       4.12432001       1.06640934      -0.01321186       0.44515703
K       10.99949998      11.24360002       0.51915601      -0.04877077      -0.15719108       0.32800196
K        0.37803659       5.81672004       6.23335004       0.14684654      -0.28715534      -0.00819511
K        0.21393662       1.41339000       8.73268994       0.48537326      -0.07736046      -0.39623378
K        6.48225998       2.39675000      10.04919995      -0.12036372      -0.06628931      -0.15155974
K        9.53525998       3.52760998       0.95216495       0.01465954      -0.07572685      -0.15907120
K        7.07016997       7.73950996      10.85360005      -0.28575300      -0.30357019       0.11529206
K        8.61286002      10.03040005       8.08081000      -0.01477335      -0.14028263      -0.29220395
K        5.31722999       0.45292398       7.17465996       0.32616019      -0.39601321      -0.40422032
K       10.49870005       6.03348999       9.65202995      -0.13380819      -0.21392379      -0.85088383
K        8.01630999       5.54325004       3.77301002      -0.64344839       0.23827921       0.23486270
K        7.31701006      11.07070000       1.28870002       0.29003485      -0.93884876      -0.30158067
Li       3.02063000       5.54839006       1.96126995       0.24279978       1.33235273      -0.04639426
Li       3.42855005       9.41701002      10.65499996       0.37666504      -0.18664120       0.07447944
Li       3.25270004       0.79249801      10.21550005      -0.21295281       1.15791235       0.00433629
Li       4.77926002       7.48785997       2.78625996       0.34549673      -0.75832820       0.17859001
Li       2.48685998       3.77711000       0.41583667      -0.96781546      -0.31322965      -0.14769617
Li       4.08498003       0.04250365       2.65245004       0.44518131       0.26604115      -0.10352115
Li       3.31812002       5.72705002      10.29819998      -0.44927217       1.38977616       0.29405117
Li       3.09688003       9.06162002       1.61451999      -0.17334594       0.30198908       0.85511649
Li       3.48740994       7.24447996       5.81993001      -0.24214959      -0.52621880      -0.40235706
Li       2.55736005      10.91200001       5.35180001      -0.54676345       0.29287814       0.00462672
Li       5.45848003       9.02788997       5.01626003       0.88027696       0.60615576      -0.30218833
Li       4.57349999       3.42937005       4.80224999      -0.38675913       1.67510480       0.27356556
Li       1.14738996       9.48231005       8.98502001      -1.16454030      -0.54875549      -0.02775313
Li       3.21995000       4.37491998       8.29200997      -0.02001785      -0.29834045      -0.87638557
Li       3.65096000       8.38714001       8.13483003       0.58691181       0.52117765       0.35881623
Li       4.54438001       3.24420004       1.86296999       0.54451263      -0.09635020       0.13496869
64
Lattice="11.24855461 0.0 0.0 0.0 11.24855461 0.0 0.0 0.0 11.24855461" Properties=species:S:1:pos:R:3:forces:R:3 energy=-545.5769861 stress="-0.03044173798120123 -0.002322128360693653 -0.0005136290963908191 -0.002322128360693653 -0.03461174934153677 -0.003288831282139753 -0.0005136290963908191 -0.003288831282139753 -0.04118689845633279" free_energy=-545.5769861 pbc="T T T" config_type=wetmd 
Cl       8.24758996       9.07875005      10.19950001      -0.08322282       0.86983956      -0.29907487
Cl      10.81639999       7.43398999       8.49645995      -0.29182601      -0.24069052       0.25516120
Cl       2.10950995      10.78629998       2.95109002      -0.27426511      -0.08291460       0.10415057
Cl       5.64308995       3.36237003       4.57891999      -0.39929976       0.45929562      -1.04242954
Cl       1.94603999       6.12660997       0.10124543       0.16601016       0.47587331       0.27946959
Cl       7.28775001       0.35184534       6.74591995       0.67182466       0.11887243      -0.14125638
Cl       9.38954997       6.14784004       3.97656000       0.37215608       0.70528295      -0.24628906
Cl       6.78391003       4.37102004       7.69429999      -0.26316770       0.17251302      -0.87633983
Cl      10.28920003       9.20394005       2.35187997       0.45485838      -0.27769855       0.77004728
Cl       5.08071003       0.60871295       0.96463701      -0.44740314       0.06047478      -0.25332283
Cl       9.52493004       3.19618995       3.04968000      -0.87771836      -0.14694267       0.15320221
Cl       3.83381000       3.90870996       1.63551003      -0.20840712      -0.21042892       0.23856962
Cl       4.51136005       7.64349994       6.59470001      -0.03772233      -0.34790231      -0.55101065
Cl       1.99505996       1.04486002       7.45731004      -0.45471703       0.36936082      -0.43872595
Cl       1.35075996       2.15948998       0.57824534      -0.85933733      -0.05666784      -0.22044115
Cl       7.45956999      10.68310001       2.91974997      -0.91695724      -0.68699498      -1.20623352
Cl       4.69045998       2.44977996       9.70779003      -0.74222883      -0.17645908      -0.26825570
Cl       9.47445001       5.29900004       0.21164538       0.21771832       0.55728188      -0.35034070
Cl       8.95507005       1.77362001      11.01909996      -0.33428598       0.07691758       0.10572104
Cl       4.49089004      10.90160003       5.12583000       0.25815526       0.10944454      -0.15583244
Cl       8.02776002       7.92099999       6.15074003       0.40557261       1.08997766       0.43427031
Cl      10.58900000      11.23030001       4.92893002      -0.40470969       0.33269804       0.47904095
Cl       4.42260996       9.09020996       1.08984996       0.82154256      -2.62871249       0.39823856
Cl       2.88430004       7.12886001       3.58448995      -0.31828144      -0.26083274      -0.31011026
Cl       4.93386003       9.66942998       8.80634999       0.28816107       0.49583238      -0.34347279
Cl       1.15559000       8.86827002       5.90606001      -0.25721759       0.18573639      -0.26005878
Cl       2.03787004      10.38450004      10.10210001      -1.01200768      -0.68339948       0.95714555
Cl       6.31309998       5.63003004       1.82423997       0.87076596       0.11679317       0.21301981
Cl       2.76089001       4.65398002       7.57729005       0.42275050       0.23344873       0.27512095
Cl      10.44550005       3.58685001       7.44722999      -0.16616994      -0.30390808      -0.37285706
Cl       5.35000998       6.40744003       9.85809996      -0.18883184       0.03421023       0.46749512
Cl       1.81076004       3.19119998       4.83623000      -0.61192033      -0.41365879      -1.06793873
K        8.17214005       3.71577003       5.46358000       1.37278499      -0.30709695       0.28120741
K        9.77467000      10.07629999       7.83857002      -0.13621376      -0.10778088      -0.60575000
K        0.31104537       6.15708995       5.96084002       0.25156679      -0.72897234      -0.03182769
K        2.29855001       7.22788002       8.60207995       1.11705657       0.88131672       0.27963294
K        0.18254537       8.41395001       0.00244544       0.06753758      -0.29526797      -0.69671959
K       10.37909994       0.88971005       2.05717999       0.72050684      -1.01302989      -0.14810351
K        0.56866404       4.58232999       2.28096998       0.75043475       0.28479733      -0.04281966
K        0.31424536       4.37732002       9.84513004       0.64798020      -0.08686593       0.13041254
K        7.10011995       3.81557002      10.28019995      -0.29190591       0.26826818       1.06848815
K        6.68434998       2.27513997       2.21863004       0.73225214       0.85248707      -0.02925918
K        8.17796995       6.50415994       9.05528005       0.02902374       0.03615942      -0.66927911
K        6.73650998       0.43244540       9.84545996       0.06850280      -0.31741379      -0.37603826
K        4.83952999       2.19504002       6.74099995      -0.59953807      -0.65067218       1.36664025
K       11.15099995       1.02970000       9.56629997       0.38898014       0.19885989      -0.37699776
K        6.21737996       6.22937002       4.76938997      -0.24774280       0.12806281      -0.39664450
K        8.14479999       7.82349999       1.31431003      -0.72451452      -0.09773611       0.90814198
Li       8.65500001       5.14306999       2.12818997      -0.57289330      -0.50517066       0.73202465
Li       3.23247003       9.13599000       4.91026000      -0.12227615      -0.68555517       0.10308029
Li       3.29508005      11.09850002       8.62253004       0.89019073       0.12891148      -0.05851678
Li       1.61204003       0.66844536       5.26578002      -0.00484656      -0.19126386      -0.53903654
Li       5.64837002       8.53059999      10.52120001      -0.00647898      -0.07611300      -0.08208946
Li       2.99455995      10.54750003       0.93627895      -0.52664702       0.66952201      -0.41746069
Li       3.47513004       1.92881002       0.62484540       0.13831453       1.00329728      -0.64694607
Li       6.09026004       9.49423003       6.45055001      -0.10900605       0.03049758       0.30154864
Li       3.57976004       3.56315999       3.76274995       0.52217450       0.17336259      -0.29482216
Li       4.94262997       5.62037001       7.77676000      -0.36419114       0.16384281       0.13579951
Li      10.01579998       8.76769995       4.75412995      -0.32417106       0.03849474       0.02291454
Li       8.45710002       0.15395795       4.44968996       0.36467200       0.62902077       1.97722365
Li       1.02772003       8.62286997       3.21466998       0.77436072       0.22331952       0.29660008
Li       1.40035000       3.19324002       6.87423998      -0.51971330      -0.40035384       0.61959022
Li       3.98925996       6.26214999       1.51796005      -0.17032136       0.14578387      -0.24928001
Li       5.05245996      10.60610005       2.72276000       0.08430266      -0.33935356       0.71162361
64
Lattice="11.40470361 0.0 0.0 0.0 11.40470361 0.0 0.0 0.0 11.40470361" Properties=species:S:1:pos:R:3:forces:R:3 energy=-543.94954928 stress="-0.034353310630957375 0.0008342224837437849 -0.0049067248628772405 0.0008342224837437849 -0.03497580266900872 0.0011108787301560407 -0.0049067248628772405 0.0011108787301560407 -0.03895807425328273" free_energy=-543.94954928 pbc="T T T" config_type=wetmd 
Cl       8.91034998      10.54339998       0.85697806       0.62585181       0.43449546       0.44495756
Cl      11.36480003       7.10697004      10.36590002       0.15761236       0.00977812      -0.25713748
Cl       4.30503999      10.23419999       5.96020999       0.84013012       0.98017039      -0.49580103
Cl       3.65866005       2.82595999       5.98964005      -1.03546602      -0.39153958      -1.13801704
Cl       5.06907005       4.57553995       8.27087000       0.52518833       0.35637384      -0.39320161
Cl       9.25801005       0.88454801       9.26369997       0.49656943      -0.20853116      -0.47706218
Cl      10.62559995       4.67068004       4.52770999       0.71958295       0.32454427      -1.06708432
Cl       3.79246004       6.47187004       5.10419004       1.03985052      -0.47419379       1.22774257
Cl       8.93720999       8.13676996       3.50114000       0.07342642       0.68195763       0.47456361
Cl       3.72209997       0.05159636       0.31959640       0.41908453       0.35649860       0.16145130
Cl       9.24037997       5.85491002       1.21975004       0.32091653      -0.95541197      -0.30621702
Cl       3.62977000       3.58961005       1.77040996       1.25137925       0.51680494       1.65102630
Cl       5.55013003       6.76523004       1.99414003      -0.27700299      -1.02683856       0.60963551
Cl       1.20037995      11.27280000       7.40327998      -1.11620547       0.33913971      -0.59781295
Cl       1.15175999       1.43570005       1.70467998      -0.23604899       1.07996384      -0.75966877
Cl       5.86848002      10.41800002       2.21735003       0.38776294      -0.67553244       0.32084491
Cl       2.99781998       2.34895997       9.87313004       0.87975709       0.96404190      -1.45552783
Cl      11.31030004       3.71578998      10.66479997      -1.03019993       0.67405261      -0.68347184
Cl       7.06500997       2.87704998       0.17109644       0.67979465      -0.72559514       0.17265603
Cl       7.48288994       1.10017002       4.11060998      -0.63574815       0.68938983       1.34134747
Cl       7.92738006       9.52647004       7.41668997       0.20269776      -0.31928853      -0.58650113
Cl      10.45900004       1.16633999       4.89035002      -0.09271019      -0.06384840      -0.25620732
Cl       3.09639003       6.67823998      11.18029999       0.24366343      -0.89603021      -0.20183829
Cl       1.86112001       6.98769999       3.11896005      -0.08900581      -0.86810457      -0.20272177
Cl       6.19782995       1.12065001       8.32100998      -0.72461388       0.04436501      -0.78633384
Cl       2.06976005       7.79606003       7.83484001      -0.11233089       0.30452175      -0.63003368
Cl       1.07019002       9.96140005      11.01350004       0.27626489      -0.23815845      -0.18951788
Cl       8.05253995       6.37925997       9.72213005      -0.01317086      -0.73471019      -0.77667637
Cl       7.06121996       4.98720002       5.12915003       0.47581381      -0.06856025       0.56974337
Cl      11.04859995       3.42400999       7.25495998       0.26612605       0.91061375       0.68080443
Cl       5.33702003       8.60164005       9.54957996       0.03242395       0.30812527      -0.02837483
Cl       1.23997001      10.15469997       3.59945995       0.70352042       0.01239913       0.50030968
K        6.42819995       3.38353002       2.87893997      -0.10878133       0.66012639      -0.08159224
K        9.74958003       9.47216005       9.92079999       0.35391306      -0.23336525      -0.95253595
K        2.17194004       4.94371001       8.77473003      -0.51676947       0.30400434       0.03279705
K        3.45353004      10.85890004       8.79421999       0.61888727      -0.37009223       0.97725776
K        7.45881997       7.98509002       0.53215499      -0.05557700       0.68557219       0.18396432
K        0.00189637       8.30128999       1.77902998      -1.12808003       0.50348382      -0.82055549
K        9.63834004       2.80231005       1.45281999       0.28932720      -0.35603745       0.33278367
K        1.32200005       4.88890995       1.17649999      -0.82317135       0.74884571       0.49581061
K        5.18258004       4.62615995      10.97219996      -0.39780824       1.23586167       0.23432624
K        4.21363996       0.95396194       3.42298995      -0.25429641      -0.04606389      -0.04092402
K       10.55490003       9.48806003       5.66443995      -0.16134618      -0.16043511       0.18283543
K        6.49721996       0.09929642      10.86389998       0.14025040      -0.40763867       0.25836897
K        7.96045997       3.31117995       8.80710000       0.14093559       0.70049729      -0.05261836
K        0.56961203       1.22180996      10.20689998      -0.53020753      -1.36165210      -0.33647810
K        6.19972998       8.43561003       4.37852996       0.11038779      -0.48165947       0.09394421
K        3.56720995       8.88123000       1.43358995      -0.35005935       0.02787642       0.19068824
Li      10.01750001       5.54994995      10.33729999      -0.26849647      -0.48420977       0.35108209
Li       3.78507002       8.31847004       6.57461000      -0.33483465      -1.51769911       0.39126541
Li       4.43725997       2.37207001       7.97336998      -0.07386256       0.36454292       0.56967585
Li       2.19563000      10.63950000       5.52226002      -0.35329627      -0.06216271       0.19864258
Li       7.02047996       7.70120003       8.41405001      -0.39520983       0.22842189      -0.26671071
Li       1.96322997       8.04571001      10.00870003      -0.41804673       0.49465341       0.02256761
Li       2.98846994       2.11277004       0.55732905      -0.36096475      -1.36722692      -0.27467883
Li      10.73970002       1.36472002       7.00598002       0.03662505      -0.87920844       0.69722257
Li       1.37882000       4.11977001       5.53902995      -0.34542025      -0.02287743       0.00285057
Li       4.90730004       4.65925001       6.09980995       0.36047640       0.62872074      -0.34440797
Li       9.44473995       6.04202995       3.27681005      -0.16778940       0.03687348       0.75385189
Li       7.88764002      11.18590004       2.60993996       0.12189019      -0.81054887      -0.27958517
Li       9.11631003       3.82226999       5.79262996      -0.14552445      -0.13766936      -0.11191452
Li       0.66828199       0.82682402       3.53677000      -0.50018369      -0.26584939       0.75477112
Li       3.73757000       5.56894004       2.86539004       0.09248017       0.98395890       0.24008868
Li       6.47288004      11.07670000       6.73172005       0.16963876       0.02006418      -0.26866909
64
Lattice="12.5687474 0.0 0.0 0.0 12.5687474 0.0 0.0 0.0 12.5687474" Properties=species:S:1:pos:R:3:forces:R:3 energy=-548.44615235 stress="0.0036378216760457674 0.0023273538956885523 -0.0015430611506274203 0.0023273538956885523 0.0034155689072953425 0.0007969081956535313 -0.0015430611506274203 0.0007969081956535313 0.0005475978045179075" free_energy=-548.44615235 pbc="T T T" config_type=wetmd 
Cl       9.87685000      10.74859997       3.09777003       0.39349493       0.45838183      -0.58972860
Cl       0.12434300       9.04340002      10.75350002       0.14241852       0.03799984       0.02312780
Cl       7.30867005       7.74985998       7.39971995      -0.13305464       0.44315598       0.58564457
Cl      11.61699999       0.37321701       0.50314996      -0.13534818       0.01085979      -0.12489212
Cl       5.83827995       3.79991003       9.88634004      -0.27442233       0.13189580       0.70969647
Cl       5.16660005      11.07000006       7.54586997      -0.06615091      -0.12335591       0.00965736
Cl      11.77799999       1.40145995       5.08012996      -0.15072603      -0.35501765       0.21283502
Cl       5.50220999       3.84872001       4.62841006      -0.14539569      -0.08567596      -0.46307504
Cl      10.72679998       8.27663001       5.21877996       0.58783795       0.35358875       0.08535240
Cl       4.27304997       0.29980799      11.32209998      -0.06451938       0.25336728       0.11857573
Cl      12.56399666       8.12244001       1.49817006       0.12892173       0.24513276       0.04183598
Cl       2.80708997       5.65552998       1.02570996       0.23546745       0.04424885      -0.29359799
Cl       7.78499994       6.97869003       4.25016002       0.05482669       0.71116233      -0.27955001
Cl      11.18259995       4.31303002       1.18444004       0.37901689      -0.15609505       0.22827580
Cl       1.62239000       4.86550000       6.00147005      -0.06449063      -0.06500369      -0.37584717
Cl       5.77227995       9.73772000       3.71542995       0.11006523       0.57304886       0.09127197
Cl       7.27084001       2.14367000       7.42328999       0.19805631      -0.28013219      -0.23198934
Cl      10.23259998       2.72791000      10.37530000      -0.02331241      -0.18357058       0.09433171
Cl       7.90847004       4.14152997       0.36225694      -0.49389397      -0.37154471      -0.34117812
Cl       2.18858002       2.33722997       2.97212994       0.21370010       0.05160153      -0.00783619
Cl      10.39000003       6.93755994       8.79039001       1.32175429      -0.55510102      -0.09988938
Cl       3.92556005       7.65567997       5.46442997      -0.14214216      -0.42121551       0.42710745
Cl       1.56821003       9.10070999       7.25684999      -0.48532453      -0.22505034      -0.21603858
Cl       3.64837003       9.58806996      12.05320001       0.34024960      -1.35832274      -0.08986544
Cl       3.20795006       1.29800999       5.88668999      -0.59706862       0.00481557       0.12442092
Cl       2.06527998       5.70483994       8.99507005      -0.05212272       0.30772216       1.42558884
Cl       0.70085497       0.93778303       9.26777994      -0.04627219      -0.68176793       0.11665515
Cl       7.84343996       8.05839005      11.45340002       0.25218738       0.38433568       0.05705768
Cl       9.74296997       4.75024006       6.21482994      -0.31123135      -0.83698042      -0.33700432
Cl       8.81108005       1.29681998       3.55182998      -0.70365114       0.62322813       0.07170783
Cl       9.78688995      11.26249998       9.56688999      -0.25138692      -0.24352192       0.44119959
Cl       1.14787002      10.85090002       3.64387997       0.28055977       0.12185350       0.56205114
K        1.62324003      11.02650000       0.70367804      -0.34562969       0.34641056       0.16871353
K       10.22630002      10.12630005      12.55005466       0.09925027      -0.02907467       0.11145333
K       10.81370005       6.73965998      11.96799999      -0.19193143      -0.47381785      -0.14864641
K        4.31607003       1.45691000       8.40433000       0.30732340       0.02154498       0.81877876
K        4.68293995       6.34664996      11.05820002       0.18957713       0.12337164      -0.10470648
K       11.43980001      11.30700001       7.12671004       0.18222103      -0.10637356      -0.28592253
K        8.41880995       4.56083997       3.16567005       0.51724252      -0.64668430      -0.13254528
K        0.50493196       5.76444006       3.41084998      -0.29087498      -0.07675691      -0.09859826
K        6.12828004       4.96030996       7.31376002       0.17807298       0.36850419      -0.60009218
K        2.60044996      10.61229995       9.45924005       0.18060711       0.44223075       0.09848895
K       11.94360003       3.07099998       7.59339001       0.02916582       0.43040617       0.13245390
K        4.94734994       2.62731000       0.64380002       0.34256697       0.11902727      -0.06599928
K        5.65991999       0.45365599       4.84798004       0.69801395      -0.28230379      -0.07771251
K        1.19838004       2.91499995       0.40669299      -0.44893651       0.09341584      -0.55290362
K        5.16344002       6.66345994       3.05287999      -0.00521790       0.00464196      -0.19329005
K        6.67138994      10.97769996      10.76609994      -0.28822111      -0.05864634      -0.28615913
Li       8.46938005       2.59553998       5.54505999       0.31099403       0.07091902       0.24081615
Li       5.59649005       9.19378006       6.11116002       0.46747499      -0.09056763       0.07999520
Li       1.32389997       0.98451903       4.79112004       0.24720923      -0.12075491      -0.54189861
Li       2.82627000       9.52924998       4.90292005      -0.29904110       0.26039127       0.11276697
Li       2.52642996       6.72859999       7.21181001       0.01201431       0.35486513      -0.98379590
Li       0.26186998       7.69255002       8.74046003      -0.16726698      -0.09572871       0.12291737
Li       8.16659000       3.58943002       9.82560006      -0.04689542      -0.28892795       0.14363874
Li       8.95103997       8.24107001       9.43202997      -1.14479247       0.62718982      -0.11121294
Li      11.45850004      12.52649994      10.44240002       0.12691493       0.71388475       0.01822039
Li       3.07073000       3.49352997       4.99977004       0.33114566      -0.30977985      -0.27028066
Li      11.74700006       9.68699002       3.84185005       0.11658000      -0.30961927      -0.31908534
Li       8.49369002       9.15557006       3.52385999      -0.71595058      -0.72636459       0.66646309
Li      10.88249999       0.42788604       3.13091997      -0.13443316      -0.02230377       0.00984442
Li      10.07200004       2.42150996       0.21010697      -0.10508703       0.56066473      -0.16981726
Li       2.01028002       7.63851006       0.02303839      -0.31668584       0.43656328       0.15758176
Li       9.33572005       6.99325005       6.38202998      -0.33345321      -0.15037031       0.08463274
64
Lattice="12.28857754 0.0 0.0 0.0 12.28857754 0.0 0.0 0.0 12.28857754" Properties=species:S:1:pos:R:3:forces:R:3 energy=-548.28889112 stress="-0.005131409666866112 -0.0003380124469233549 0.0006519347532848483 -0.0003380124469233549 -0.002849771111826724 -0.0007691720400867305 0.0006519347532848483 -0.0007691720400867305 -0.004259034672839486" free_energy=-548.28889112 pbc="T T T" config_type=wetmd 
Cl      11.11070006       9.76753002       9.75499002      -1.24362334      -0.67055911       0.16525559
Cl       9.53181999       2.72158002       9.31575005       0.25896327      -0.16364108      -0.39960667
Cl       6.71655996      10.79829996       7.81763998      -0.08232894       0.03461333       0.24513717
Cl      11.64479998       0.92261006       0.26821098      -0.02646527       0.13610712       0.74840207
Cl       4.85796004       3.13477005       6.05943000       0.34541868      -0.35418248      -0.56360094
Cl       0.65229896       9.47084001       6.59965000       0.29209204       0.59473455       0.18237212
Cl      10.38539995      10.63300004       2.61927995       0.60798419      -0.72369331      -0.17987693
Cl       5.12062998       6.53586995       8.00736001       0.24893231       0.41762241      -0.20448520
Cl      11.11679998       5.98262000       6.69593997       0.00244414       0.26202032      -0.06270242
Cl       4.17124004       9.75218994      11.11169998       0.06171787       0.01530460      -0.01984691
Cl      12.14090005       0.74861498       4.30137006      -0.45805269       0.65831130       0.07253103
Cl       3.18303995       5.86160000       2.11425997       0.64599139      -0.16965419      -0.07585430
Cl       8.01350995       8.23128997       4.93570004       0.51998163      -0.58256635      -0.56796665
Cl       2.55257005       0.24278100       6.05759998      -0.07136011      -1.00355100      -0.39041379
Cl       2.28230995       5.61047001       6.20465997      -0.32197611       0.35197091      -0.46264004
Cl       7.35095004       9.34573000       0.79721901       0.82645540      -0.30636399       0.77501398
Cl       7.66951998      11.58539994       4.27791006      -0.32432284       0.81365881      -0.25252631
Cl       6.88013998       5.47640999      10.96070003      -0.03344428      -0.15379778       0.47005478
Cl      10.12770000       6.60647999       9.99321995      -0.38359514      -0.40702564       0.24287063
Cl       4.72531001       1.79659999       0.57878500       0.32531176       0.48511909       0.60030927
Cl       7.78134001       4.47219001       7.01454003       0.17213369       0.74771057      -0.07901893
Cl       0.38206601       8.26218001       3.66626000      -0.17239893      -0.53046171      -0.21615487
Cl       1.78815995       7.62520000       9.27096999      -0.46914570      -0.04932035       0.03561381
Cl       2.10492003      11.06370006       2.43028998       0.31364600      -0.01509595      -0.04481218
Cl       1.04162002       0.11132247       9.72709003      -0.26955709       0.19881368      -0.26568628
Cl       4.18062999       3.53326994       9.51470003       0.27290888       0.39137731       0.07983103
Cl       0.63620903       3.94967994      10.08600006      -0.17652563       0.36248952       0.51706054
Cl      12.00089997       5.06807997       1.77066003      -0.31502272      -0.00626198       0.05996856
Cl       0.78152244       2.75153994       7.16856997      -0.12246863      -0.14017416      -0.70891272
Cl       8.08013997       4.26719000       1.80299005       0.09873371      -0.14801697       0.55270255
Cl      10.49630006      11.87460006       7.03213002       0.20338525      -0.06671499       0.00041521
Cl       4.84460998       9.25427005       4.99501995      -0.62519375       0.15787365      -0.33659320
K        3.44699995       0.90036294       8.56902997       0.71701609       0.39118999       0.45327063
K        9.92182995       8.01116996       0.36562303       0.09307621      -0.01756663      -0.28297729
K       10.37120000       3.77976996      11.84919994      -0.03147278       0.11693038      -0.11620707
K        8.16098001       1.68572999       6.64872996       0.03466288      -0.61179061       0.25511709
K        7.20544996      10.83740000      10.74659995      -0.20598579       0.33376570      -0.43199018
K        7.94142995       7.39567001       7.65117006       0.13579479       0.30261054       0.55568113
K        5.80521005       5.54202005       4.16877999      -0.22014015       0.11861096       0.36973128
K        2.35462000       2.84005997       4.64903997      -0.57826520       0.39055199       0.04726819
K        3.92155003       9.24731005       7.95823999      -0.08586542       0.19534380      -0.07716975
K        0.72076796      10.17090000      11.62869997       1.09533185       0.35421246       0.77497195
K        9.84046003       5.90248999       3.59420002       0.08405601       0.05567190       0.62994272
K        1.78105998       3.14485000       0.63692250       0.24063775      -0.19097749      -0.57615705
K        4.54568001       0.49552251       4.01682006       0.47113015      -0.37570408      -0.31384941
K        3.94013995       6.63073998      10.81960000       0.26600259      -0.33086087       0.30004651
K        4.78633005       9.24129000       1.83164001      -0.80242223       0.01991432       0.12958616
K        9.34424997       0.99845798       2.42709999      -0.03778020       0.35449886      -0.08709409
Li       8.50833005       9.62008995       3.24416997      -0.43254734       0.45593498      -0.27088297
Li       6.89690000      10.14130001       5.71959995      -0.36712928      -0.25954414       0.00460346
Li       1.87848001       9.91929998       4.48271997       0.32862544       0.23578593       0.02639611
Li      11.27559999      10.39729996       5.27559005      -0.30098018       0.41154659      -0.17808641
Li       3.95421996       4.68304001       7.54214003      -0.36007151      -0.19749377      -0.09243534
Li      11.88130004       7.63572995       9.14686002      -0.02518633       0.28085873      -0.16980754
Li       0.60430506       4.86801996       7.89412003       0.32224466       0.19299161       0.06470495
Li       9.70648995       5.02235995       8.39654000      -0.01471343      -0.71952544       0.01927245
Li       0.18023497       0.67154299       6.55926002       0.24126556       0.03136979      -0.31191141
Li       0.11088094      12.24750002       2.36886995       0.02752763      -0.48366613      -0.85345669
Li       0.65692302       7.42739003       5.81478003       0.06580706      -0.79362818       0.21314796
Li       6.27728006       3.78996997       0.58001496      -0.40553700      -0.19605042      -0.77421494
Li      11.94749996       2.18181998       8.91606997      -0.35234024      -0.16807041       0.97427775
Li       6.21063001       4.74991997       8.91702995       0.03953784      -0.40626349       0.20812405
Li       1.18397004       6.25439995       2.91038996       0.14373568       0.25709128       0.05599580
Li       0.06492252      10.89619999       8.44981000      -0.18663412       0.11561574      -0.46273803
64
Lattice="11.83968112 0.0 0.0 0.0 11.83968112 0.0 0.0 0.0 11.83968112" Properties=species:S:1:pos:R:3:forces:R:3 energy=-547.12810074 stress="-0.014484967698762218 0.003400016826659215 0.004088860925163739 0.003400016826659215 -0.013279945939653048 0.001486833130051875 0.004088860925163739 0.001486833130051875 -0.01611437658921056" free_energy=-547.12810074 pbc="T T T" config_type=wetmd 
Cl       9.92150005       8.87668998      10.04779996       0.06868917       0.02219473      -0.16208334
Cl      10.39819994       0.47271892       8.50318001      -0.67384117      -0.04815447       0.14411104
Cl       5.92609996      11.16650006       8.69192004       0.02370012      -0.15940289      -0.25713765
Cl       0.21461885       2.17419002       0.77135203      -1.08224067      -0.86054559      -0.05413469
Cl       6.24943005       5.67607005       4.33407996       0.03758646       0.16395972      -0.02137736
Cl      11.68750002       8.05896003       3.56209996       0.61342400       1.72664991       0.08361385
Cl       9.65529003       0.19881891       2.54436002       0.29814303      -0.46816625      -1.69929188
Cl       5.01912995       7.31178001       7.25259001       0.81954368      -0.60705979       1.11123519
Cl      10.22159997       6.38581004       7.24184006       0.63940816       0.56555128       0.60480494
Cl       4.90032005       9.87732004       0.26161883      -0.06968422      -0.87558036       0.36541120
Cl       0.23097797       0.97051097       5.48092997       0.90717360       0.34820285       0.32546210
Cl       3.84665000       1.91341004       2.20668000       0.01934582       0.35061539      -0.25662093
Cl       9.61050004       9.91566995       5.65715995       0.54886589       0.58790510      -0.68208752
Cl       4.23644995       0.84869995       5.89282004      -1.21596082       0.60032814       0.40194657
Cl       1.64391995       5.95136004       6.02783005       0.20836974      -0.15910923       0.22796282
Cl       7.81748002       9.02300997       2.05356996       0.06332435      -0.28916212       0.19323027
Cl       6.70671003      11.53880001       4.62272997       1.07913205       0.16716311      -0.05666176
Cl       4.02564005       5.88881006      11.19410001      -0.15569969      -0.14731646       0.07297392
Cl       7.75309004       6.05567994      10.28110005      -0.13339310      -0.32724903       0.15130924
Cl       6.45449001       2.44950997      11.58679998      -0.16942293       0.18518012       0.30373973
Cl       8.10299997       3.95227002       6.50133999       0.35443086      -0.67297076       0.37828852
Cl       2.48367005       5.54858995       3.08406005       0.33911235       0.13725439      -0.93735315
Cl       0.93270498       7.22090999      10.00450000       0.05806543      -0.04792276      -0.12504094
Cl       1.21314002      11.10519999       3.11547996       1.08565205      -0.61627202       0.17455009
Cl       1.44628004      10.54940001      11.32380005      -0.21328496       0.07615364       0.54425856
Cl       4.96839005       3.57183999       8.05792998      -0.08824684      -0.13197379       0.23364184
Cl      10.43700000       3.92162999      10.25080006       0.84651875      -0.49427809      -1.50668055
Cl      10.85420005       4.44727004       4.06428003      -0.61263662      -0.78718648      -0.07141352
Cl       1.67799005       1.57049996       9.40513000       0.39059104       0.54864580      -0.09026028
Cl      10.82869998       6.19360003       0.93694702      -0.22770772      -0.15601984       0.22718650
Cl       1.29039998       9.86075005       7.43854002       0.19097193      -0.44144456       0.02381494
Cl       4.06578995       9.26329002       5.13383006      -0.57953140       0.57324241      -0.27726107
K        4.23776996       0.57565796      11.35189999      -0.65628788       0.57652143      -0.55427479
K       10.54370003       9.05687998       1.07042995      -0.14526938       0.31903219      -0.39503069
K        7.59283995       2.14837005       9.05581998       0.18381247      -0.24872775      -0.97326135
K        9.46154998       1.50614004       4.79310997      -0.69082893       1.30989407       1.50927297
K        7.60939005      10.23300004      10.95950005      -0.27433323       0.08242103       0.39754587
K        8.14544002       8.48273998       7.59597995      -0.50177683      -0.18479241       0.69897498
K        5.78371004       6.50410005       1.60297005       0.10019003       0.44052370      -0.10337480
K        1.39214002       2.77179000       3.47286002       0.04330227       0.10991015       0.35270711
K        3.68989996       8.89539999       9.43120003      -0.01565779       0.13343289       0.24983724
K        1.66743995       7.92027000       1.26707995       0.72408560       0.09401393      -0.32191373
K        9.49305005       7.02027996       4.63390000      -1.60557286      -0.59489890      -0.31865163
K        1.26849006       4.52548996       0.38321887       1.03784274       1.02997267      -0.48340061
K        6.00009004       2.71810995       4.31436003      -0.19098465       0.06175224       0.00718167
K        2.72964002       5.34231003       8.63163001      -0.06332642      -0.16996464      -0.01245882
K        4.35388005      11.13740002       3.05847000       0.25173014      -0.43153895      -0.80184031
K        8.92818999       3.66741996       0.53026202      -0.33438863       0.27763432       1.49759614
Li       8.46833997      10.54600001       3.59347002      -0.96118813      -0.45933164       0.22393953
Li       5.38589000      10.75880005       6.35287003       0.12341156       0.01135755       0.21614877
Li       2.53061001      11.35640002       5.33293999      -0.64162994      -0.48155296       0.18478835
Li      10.99820006      10.68129998       3.64725994       0.28167661      -0.37723327       0.77246227
Li       3.51684005       7.20343994       5.72866002      -0.20026812      -0.26215293      -0.68215506
Li      10.39990000       6.15523994      10.56029998      -0.32265649       0.92176189      -0.31139851
Li       2.85538998       1.90074004       7.53071999       0.33082080      -0.07437994       0.09151331
Li       9.95834004       4.39844994       8.11124998      -0.37094464      -0.03299672      -0.57846969
Li      11.50059999      11.10430006       6.61495996      -0.65302031      -0.12362094       0.77944360
Li       0.96831306       0.27851891       1.30917002       0.24431680      -0.32276551      -0.94676815
Li       0.57641097       7.54460995       6.96547999      -0.63890216       0.40511847       0.42748848
Li       5.38205998       4.21359002      10.43730002       0.31261032       0.26266479      -0.19187795
Li      11.18979996       1.71213996      10.20310000       0.85660405      -0.10391494      -0.09599438
Li       6.32810000       5.39760004       6.61256006      -0.28202341      -0.11903146       0.18367369
Li       0.33961604       6.04423003       3.59735000       0.73461898      -0.71749870       0.11034395
Li       0.20331894       9.64295995       9.67833999      -0.04636092      -0.09484175      -0.30218413
64
Lattice="11.5208961 0.0 0.0 0.0 11.5208961 0.0 0.0 0.0 11.5208961" Properties=species:S:1:pos:R:3:forces:R:3 energy=-543.24972568 stress="-0.018761535363679676 -0.0019233306490649797 0.001878565590663249 -0.0019233306490649797 -0.03986776097013936 -0.002990170944828707 0.001878565590663249 -0.002990170944828707 -0.037195347033739466" free_energy=-543.24972568 pbc="T T T" config_type=wetmd 
Cl       9.73544004       8.14049997       7.67396002      -0.84241482      -0.27620370       0.77207909
Cl       9.05630995       0.14470395       7.85500998      -0.42767724       0.73868563       0.15224541
Cl       4.27635997       2.41353994       9.78083998       0.31650833       0.05316116      -0.56713939
Cl       1.23206997       8.48736005       0.07790395       0.50662242       0.87670656      -0.10304247
Cl       9.87892002       4.91547995       7.54814999      -0.40885997      -0.18531892      -0.03504618
Cl      10.36279996       2.27392005       5.40672002      -0.23936694      -0.04742620      -0.15708353
Cl       5.70634005       1.17226005       5.67012999      -0.09370862       0.36160846       0.76294406
Cl       4.28803997       9.49488995       9.15314999       0.66677563      -0.02143776      -0.85153807
Cl       1.43927997       4.87266001       5.43004004      -0.47705368      -0.05352731       0.95417187
Cl       5.99942001       0.36900393       1.18582003      -0.01291451      -0.11846480       0.38330940
Cl       1.61531996       9.86542006       2.87093000       1.26873619      -0.23665664      -0.88770605
Cl       1.10715005       0.75259102       0.27580392       0.87707025      -0.32308688      -0.63071714
Cl       9.90736004       5.28890998       3.66653002      -0.26451773      -0.41351555       0.03422076
Cl       0.99784705      11.06860001       5.35191995       0.36382056       0.46869200       1.41883406
Cl       0.55093501      10.30070002       8.41736001       0.73960493      -0.24297443       0.02939948
Cl       9.96686005       6.49332002       0.42290387       0.01353956      -0.98261440      -1.17583370
Cl       1.79797005       2.46135996       3.22907998       1.06441797      -0.40211205      -0.15505404
Cl       5.38003002       8.91902004       4.61351001       0.64267935      -1.05260849       0.19435237
Cl       5.79252004       6.34269997      11.14059996       0.34296819       0.14319321       0.72397399
Cl       9.36936000       9.80529999       5.13567999      -0.90145765       1.19989466      -0.06007113
Cl       1.60214005       4.44564998      11.01060001       0.09058874       0.26068535      -0.20155422
Cl       0.35490385       7.56103001       5.02029995       0.24733790       1.32438245       0.29195683
Cl       0.90378400       6.78500998       8.88507003       0.61545527       0.14238708      -0.94714283
Cl       1.92300000       6.10407997       1.99180003       0.05718963       0.08566757       1.18754315
Cl       9.92073004      10.50559997      10.88490001      -0.78086691      -0.56878955       0.42453610
Cl       5.66976996       5.58820005       6.69548997      -0.03314688       0.00473541       0.29462315
Cl       9.74288001       2.34103998      10.12039996      -0.58180400       0.37543889       0.30892314
Cl      10.32159996       0.29010388       2.67098001      -0.61048023       0.41026247      -0.61329627
Cl      10.06750003       8.71500006       2.26606003      -0.16843155      -0.29797482       0.94048446
Cl      10.92020003       3.01386999       1.51010998      -1.30520014       0.92405086       0.52355977
Cl       0.84014096       2.04628995       8.09666999       0.48362856       0.88662791       0.60602531
Cl       5.31076996       4.49284003       3.03179996       1.51107668       0.01463448      -1.20430131
K        3.58456000       5.60290003       9.44209003       0.43084814      -0.06097062      -0.53458813
K        3.27673997       0.71804204       7.56199995      -0.11909466      -0.54630424       0.14116085
K        7.81228001       2.93556004       7.07732000       0.04454231       0.13978046      -0.06212228
K        8.32046006       7.29678996       4.98220000      -0.27363799      -0.62882935       0.35350275
K        6.81321002       1.03399006       9.89255995       0.49755139      -0.28376724       0.20504897
K        8.09897002       6.29349998       9.40577997       0.26732950      -0.04804144      -0.46174696
K        7.86066006       8.50396005       0.78658803      -0.68443065       0.54536406      -0.59920948
K        3.73875003       2.90515997       0.95317800      -0.15747427      -0.00135484       0.35929636
K        7.08560998      10.03970000       6.94319995      -0.50236935      -0.60235691       0.06475145
K        3.70192003       3.65669003       4.80618997       0.57005613      -0.74632417       1.70433944
K        4.31751998      11.18710003       3.79881998      -1.24851197       0.72555148      -0.87845625
K        3.46614996      10.59699996       0.03800386      -0.38282958       0.04625458       0.20177743
K        4.56521003       7.04478004       2.33501997      -0.12787817       0.66062570      -0.06546117
K        3.33657997       7.85072997       6.68950002      -0.19343786       0.06102943      -0.02044254
K        7.86278002       0.82945498       3.84318995       0.18689572      -0.06816086      -0.13428519
K        7.93873003       4.67723001       1.66004004       0.11099281      -0.45433600      -0.38621349
Li       0.05650389       3.58438995       4.07284000      -0.49049966      -0.10091050      -0.29145874
Li       0.23340391       5.00820001       1.27950001      -0.68884907      -0.56523116      -0.46833579
Li       0.02740395       6.23870003       6.90373996      -0.38960138       0.75357654      -0.08654618
Li       0.40540386       5.95755998       3.63693998       0.49381029       0.07904221       0.51452735
Li       0.51053204       6.61830999      10.97680001       0.11683253      -1.03727696      -0.01006756
Li       0.10640389       3.81411005       6.93987997      -0.06663305      -0.92448919       0.05159118
Li      10.99530003      10.09250003       3.76590996       0.36860861      -0.47688866       0.62609960
Li       0.34720386       2.77901998      11.06070001      -0.31216270      -0.45156485      -0.54383840
Li      11.26180002       9.29726004       6.37072005      -0.14101795       0.23227906       0.48713605
Li      10.46509998       0.91443495       0.39510395      -0.66477365       0.46887196       0.34224299
Li       0.38020386       1.03981998       3.93269003      -0.12479571       0.04529781       0.18915094
Li      11.08720003       0.68751201       7.07023004      -0.01310334      -0.59347382      -1.10564442
Li       0.58698297       7.97222001       2.22695995       0.50572640       0.14044109      -0.08872914
Li      11.34640003      10.29549995       1.44421000       0.60123360       0.10200137      -1.16896886
Li      10.91629998       0.47526496       9.37198999      -0.05104862      -0.10733730       0.25755344
Li      11.21589996       8.68577995      10.01720003      -0.22239710       0.64939967      -1.00572031
64
Lattice="11.94190274 0.0 0.0 0.0 11.94190274 0.0 0.0 0.0 11.94190274" Properties=species:S:1:pos:R:3:forces:R:3 energy=-546.40809982 stress="-0.011733030026747972 -0.00036062205158848365 0.00017925213504650837 -0.00036062205158848365 -0.015118662921136042 -0.0016590180667302372 0.00017925213504650837 -0.0016590180667302372 -0.013682749245868913" free_energy=-546.40809982 pbc="T T T" config_type=wetmd 
Cl       9.51459995       8.08781998       4.99116005      -0.74017605       0.15538685       0.31572729
Cl       1.81814000      10.01050000      10.04799996      -0.02557251       0.62480503       0.46013373
Cl       4.46618994       2.21991004      11.35509997      -0.36383681      -0.10585519      -0.10150737
Cl      11.90299996       6.10614995       0.29399723       0.32364647       0.81279427      -1.34037062
Cl      11.17790005      10.71069997       6.62017996      -0.80393624       0.00173815       0.77840383
Cl       1.50993000       0.10199722       3.80411999      -0.00550476       0.64386891       0.44540670
Cl       6.48422999       2.02532999       3.80888003      -0.04527962       0.38501275      -0.01217886
Cl       6.33477995       0.55353000       7.77760004       0.11834621       0.31330135       0.10465710
Cl       1.14019998       4.00739004       2.88437004       1.43434765      -1.09003256      -0.16657194
Cl       8.15723002       0.76228604       0.40526996       0.13147730       0.08513927      -0.38149735
Cl       1.85142006       9.12301994       6.78227003       0.27481451      -0.02057628      -0.33865749
Cl       8.90832997       4.42079005      10.85020002       0.68833797       0.18619853      -0.21815044
Cl       7.23327999       9.23376998      10.31999996      -0.16392729      -1.24022844       1.10019238
Cl       5.98258995       5.27823001       6.85661996      -0.31088178       0.22775769       0.45584198
Cl      10.72829995       7.57570999       8.73874002      -0.04242286       0.81716989       0.07309921
Cl      10.98540004       4.59506003       7.51579997      -0.65130651       0.62266049       0.10342927
Cl       9.36337999       0.09339726       3.95071998       0.11872406       0.05806291       0.11043939
Cl       4.24999994      10.55849994       1.64331998       0.10433757      -0.08898644      -0.14784007
Cl       5.43316999       5.67101997      10.97840005       0.72363131       0.10258853      -0.35777579
Cl       2.14729001       6.63880001       8.74932998       0.52920949      -1.73980192       0.35272541
Cl       0.36304399       3.30163004      10.15379997       0.47061048       0.29418912       0.40607920
Cl       9.75226997       4.55740005       2.59935002      -0.49329913       0.27606739      -0.28282636
Cl       2.28116005       3.81803003       6.13803005      -0.02550122       0.17740253       0.50689930
Cl       0.44235101       6.93067003       4.35039003       0.04186118       0.38843606      -0.29194414
Cl      11.45770002       1.51702994       0.75635605       0.04932206       0.55480226       0.41545816
Cl       5.58671002       8.96455997       5.92053003       0.31425980      -0.41469894       0.11653913
Cl      11.12580003       2.54672003       5.32954998       0.77278453      -0.50020019      -0.66574445
Cl       8.19586005       7.27130002       1.50164005      -0.40562808       0.11178517      -0.05141536
Cl      11.00510000       9.95937003       1.70340996       0.49694339       0.14942967       0.74912227
Cl      10.18969995       1.45004005       8.81683995      -0.24767894      -1.08516024      -0.62693695
Cl       1.85523000       0.90250703       7.68393002       0.06056066      -0.08416570       1.58834233
Cl       3.40887000       6.23859998       2.69662996       0.48823286       0.56411544      -0.05154258
K        4.78013003       8.18537004       9.15827005      -0.24097842      -0.21863590      -0.57509191
K        2.01685004       0.24460002       0.00299730       0.39562207       0.12874753       0.41096266
K        7.25768996       5.34334001       4.50290998       0.80518142       0.39700857      -0.87381971
K        6.97204000      10.48550005       3.71569999      -0.19655691      -0.06968946      -0.28026492
K       10.16949999       8.43080994      11.56209996      -0.26169622       0.14772766      -0.59082198
K        8.31930994      10.27219999       8.15309000       0.84440725       0.27120511      -1.54564546
K        4.98346994       7.76374003       0.88023299       0.24787034       0.66952234       0.38847868
K        4.05081999       3.58829995       3.49615002      -0.40909759      -0.47886886       0.18104536
K        8.51475005       2.11711999       6.14606994      -0.65574877      -0.19172585       0.21757430
K        4.82718996       3.35135994       8.47466001      -0.09468963      -0.48890231       0.07231443
K        4.11258005      11.22839997       6.49813001      -0.65161915       0.28372585      -0.24058241
K        6.16112999      11.78620003      10.65059996      -0.69920340       0.35230088       0.27327464
K        3.37375997       6.79173005       5.82808000       0.13107554      -0.18989395      -0.13511951
K        1.86819998       9.37083998       3.25557000       0.36546389      -0.69243331      -0.25764426
K        6.86943995       3.35714997       0.68053202      -0.02019423      -0.05616586       0.56506536
K        2.80181006       4.68513995      11.01330002      -0.46551404       0.10668357       0.73960992
Li      11.22349996       3.19357994       3.18504996      -0.27480295      -1.25620511       0.20911653
Li       0.96713506       4.30856005       8.30840997       1.16379680       0.67483149      -0.30964230
Li      11.84799998       2.34607994       7.37346002      -0.49969875      -0.07508018       0.73674043
Li       0.03999725       5.59999001       2.29524995      -0.46427314       0.73116281       1.01456791
Li       7.71767999       6.35245002      11.36049998      -0.20256611      -0.02154224      -0.02502178
Li      10.16990004       1.86768003      10.93649998      -0.52597892      -0.04300622       0.06186693
Li      10.34850003       8.10526006       2.95304996      -0.26953886      -0.04268537       0.03839193
Li      11.03270000       5.60307998       9.82157002      -0.18620843      -0.34664149      -0.22214565
Li       1.02815006       8.41285994       8.95089998      -0.53551884      -0.06619147      -0.63948195
Li       9.75604002       0.57669729       1.81746003       0.20800745      -0.48648413       0.34341196
Li      11.39730003      11.23249998       4.57615003      -0.21051827       0.34541159      -0.77580482
Li       1.34841995       1.29815994       5.76838004      -0.23807788       0.46999799      -1.94160541
Li      11.42499999       8.29068998       6.40137003      -0.06893230       0.10401483      -0.18087022
Li      11.01939995       4.11477999       0.13279730      -0.29681746      -0.55292466       0.41810500
Li       0.15060901      11.35860002       8.56331001       0.39673752       0.21437671      -0.06389341
Li       0.11919727       5.13932001       5.55575004       0.09357227      -0.80264689      -0.06060726
64
Lattice="12.63271836 0.0 0.0 0.0 12.63271836 0.0 0.0 0.0 12.63271836" Properties=species:S:1:pos:R:3:forces:R:3 energy=-546.96183861 stress="0.005275128559658983 0.002863240500731691 0.0017820967444739787 0.002863240500731691 0.0010938009313386182 -0.0011475431585576163 0.0017820967444739787 -0.0011475431585576163 0.0043226319621003425" free_energy=-546.96183861 pbc="T T T" config_type=wetmd 
Cl      10.03829998       9.66133006       4.33683003      -0.71782897       0.02054289       0.10933703
Cl      11.30460000       8.63656003       0.97095200      -0.49009427      -0.04222524       0.07978448
Cl       3.26962000       1.76221002      11.56219995       0.32750589       0.25081694      -0.04321649
Cl       0.14708703       7.16820005       9.74342997       0.19025445      -0.18545070       0.70401723
Cl       2.47263999       5.59104003       6.00240000       0.90852871      -0.44088232       0.15742297
Cl       3.06976004       1.49323999       4.32140004      -0.28688955      -0.01953344      -0.14741638
Cl       7.53525000       4.04510999       0.58322406      -0.24033962      -0.48903768      -0.22741294
Cl      10.69549997       8.58035997       7.47527996      -1.12834801       0.03603999       0.29799224
Cl       6.62984994       6.96682998       2.94152001       0.24847348       0.04775985       0.64241084
Cl       6.94876999       4.64162998       7.94722998      -0.33561109       0.12009604       0.33820165
Cl       4.31709999       6.02665002      10.38400000       0.33422175      -0.11239909       0.27704729
Cl       9.49549999       5.18247998      10.17900004      -0.39882293       0.48971955       0.43356501
Cl       4.52822998      10.80169995      12.17569996       0.73555840       0.19084307      -0.25997747
Cl       4.69689004       9.97988995       3.21842995       0.03590150      -0.77398993       0.85136435
Cl       2.12057004       9.50383998       6.89879003       0.36224169       0.16435564      -0.09163463
Cl       8.49313004      12.15750000      11.68109998       0.35970268      -0.10319926      -0.34163365
Cl       0.90866398       7.38929006       3.45962000       0.07442788       0.19513086      -0.05828964
Cl       6.62617003       0.43721295       4.30213995       0.34594915      -0.12579178      -0.34524750
Cl       7.07307998       7.97777994       6.87000006       0.13405063       0.46919064      -0.77413486
Cl      12.12920006       1.58588999      10.36310005      -0.12084227       0.09238761       0.71771303
Cl      12.16130005       4.87265006       0.26198098       0.22441488       0.35802259      -0.08202402
Cl       7.52898999       8.27224999      10.75379996      -0.13647220      -0.14167698       0.07685772
Cl      11.63990001       4.16139997       7.82266001       0.09351172      -0.41760259      -0.02478981
Cl      12.46960003       4.12114998       3.74437006      -0.55411051      -1.05949711       0.82675695
Cl       0.63725596      10.82119994      12.03300002      -0.25433341       0.36780658       0.04904709
Cl       9.50566996       5.14568997       5.38385006      -0.59519296       1.15612151      -0.17318890
Cl       9.71633001       1.52795002       6.35542005       0.36592714      -0.26630562       0.53548701
Cl      11.21200003      12.60147664       2.35609002      -1.02592182       1.45965301      -0.23642613
Cl       0.88737103      10.67560003       3.26483005       0.89916268      -0.49792030      -0.18720998
Cl       5.57964002      11.31469999       8.66523996       0.36638298       0.07244157       0.02600367
Cl      12.06240001      11.63870003       8.59445000      -0.16552442      -0.75894676      -0.28631637
Cl       3.11487994       4.73408000       2.49294001       0.32988071      -0.40458619      -0.08465080
K        2.66255004       9.32394995       1.22875003      -0.33225193      -0.26688158      -0.17334487
K        5.36668005       1.95917001       1.92252995      -0.26556452       0.00283981       0.33051875
K        5.49330006       4.76640005       5.14646006       0.09056442      -0.09146033       0.03105197
K       12.47489996      12.45467131       5.05703002      -0.40497379       0.47442178       0.76188906
K        5.15450003       5.88567002       0.67727401      -0.19520168       0.12740333      -0.06562331
K        2.65111996      11.18219995       9.80022996      -0.02754589       0.21421626      -0.02874582
K        8.37556996      11.26240003       1.99045999      -0.01425307      -0.07824775       0.38472396
K        1.36941004       0.89521102       0.89677495      -0.15563457      -0.04377739       0.17790835
K       10.27810005       2.67096002      12.32399999      -0.33818795      -0.02090316       0.12412798
K        8.55770003      11.28590004       6.97685000       0.04524519       0.05641671      -0.16863272
K        4.32682997      11.67509995       5.44964000       0.04290525       0.65116792       0.62406818
K        4.30943004       7.43532002       7.73181005      -0.34079308      -0.18465468       0.42422663
K        9.71271996       5.57325001       1.93748001      -0.07657429       0.30797539       0.56878333
K       12.44529998       6.60983997       6.39319996       0.24189927      -0.11684899      -0.30878580
K        6.15269006       1.15884006      10.97959995      -0.42024493       0.10989032      -0.39918093
K        1.54145996       4.24124001      10.12279998      -0.04653018       0.04136159       0.00446544
Li      12.09110003      10.97399999       1.48841000       0.50624341      -1.10715686      -0.85184163
Li      10.90940006      11.93120001      10.50399996       0.37395762       0.26255736       0.30197447
Li       2.07723995       3.50739997       4.42985004      -0.11641451       0.67743050      -0.06423370
Li       9.14501002       7.85429006       5.62754998       0.23390697      -0.22170914       0.20988148
Li       6.61897001      10.47570002      10.71969996      -0.39572000      -0.13465233       0.07586105
Li      12.25437741       9.17649997       9.08611995      -0.08108006       0.48958132      -0.45289033
Li       9.19753004       4.67285995       8.00639999       0.15983154      -0.16084432      -0.58232576
Li      10.76010003       3.41793001       5.68114997       0.45947451      -0.11638106      -0.09165147
Li       8.73739995       7.27930999       9.18156001       0.49797168       0.12397961      -0.40373782
Li       2.75735001       9.15093994       4.76717002      -0.73122816      -0.30929069      -0.68481221
Li       6.13862997       8.44982003       4.66928995       0.16117009      -0.02776120      -0.56992121
Li      11.64869996       7.08709004      11.96310003       0.35911113      -0.27144007      -0.40599888
Li       0.84790894       5.24572998       2.26551002       0.36190440       0.60084389      -0.29854878
Li       6.80504995       5.88869000      10.48390004      -0.12349479      -0.21783090      -0.42123677
Li      11.80139997       8.95393005       3.22542999       0.60120249      -0.35317671      -0.04550787
Li      10.91489997       2.17665995       8.64552004       0.04454114      -0.06895196      -0.76189978
64
Lattice="12.59732222 0.0 0.0 0.0 12.59732222 0.0 0.0 0.0 12.59732222" Properties=species:S:1:pos:R:3:forces:R:3 energy=-546.10908601 stress="0.002861503850749487 0.0002391957384877102 -0.0029853088029781344 0.0002391957384877102 0.0016506429913323076 0.0002522851755246384 -0.0029853088029781344 0.0002522851755246384 0.0008882728854758732" free_energy=-546.10908601 pbc="T T T" config_type=wetmd 
Cl      12.39820000       9.00343997       8.00181000      -0.25612423      -0.57956783      -0.56959414
Cl      11.75130004       2.85024002       1.94724998      -0.11590249       0.42881588       0.60343649
Cl      12.26519999       3.98489003      10.56039997      -0.77741459      -0.14644940      -1.15593169
Cl       4.39641003       5.23267999      12.40689996      -0.18543957       0.15347415      -0.90781941
Cl       2.29883998       6.64668002       5.97253999       0.00612695      -0.14920573       0.00657569
Cl       1.41838995      11.43890006       3.13774996      -0.07664085       0.06338526       0.05239710
Cl       5.48357997       6.85113003       3.02945003       0.03690412       0.06728300      -0.22007556
Cl       3.61807994       9.05407000       0.51802104       0.69013557       0.34074215       0.18273699
Cl       8.11823005       3.71009998       4.71143000      -0.55286489       0.45174029      -0.45387189
Cl       6.28111997       4.06480996       9.00395999      -0.06884661       0.51514875       0.95726679
Cl       4.07380004       7.24477997       9.16384999       0.72426362      -0.28038671      -0.23723581
Cl       7.84825003       4.98905999       0.37645498       0.23880536      -0.23996310       0.03374484
Cl       4.55033003       1.95997000       6.56730001      -0.26811930      -0.25861227       0.37972291
Cl       3.20851996      10.69360002       6.84375997       0.05347398      -0.14228227       0.40954771
Cl       6.92653004       7.47608999       6.21845005      -0.43071542       0.40193233       0.40769553
Cl       6.04124000      11.66789997      10.04610005      -0.31859356       0.42203235      -0.24678796
Cl      11.57680005       4.46516004       6.78165995       0.42336494       0.64836573       0.19057766
Cl       5.09203995      11.03739997       4.20262995      -0.06974773      -0.00159860      -0.34490268
Cl       9.22788999      10.45179996       7.55531996      -0.28562995       0.03415304       0.13479842
Cl       2.47966006       2.16918998      10.14360005       0.58118400      -1.12455908       0.24987510
Cl       0.66305905       7.38296000      11.73520004       0.02233841       0.12999103       0.15679073
Cl       7.68914006       8.91470998      12.08569999      -0.16312435       1.11465298       0.30986597
Cl       0.88583601       1.15829002       6.90125994      -0.21470964       0.25681733       0.18787626
Cl       6.03645994       0.09282816       1.44003996       0.04293656       0.35441051      -0.73208217
Cl       0.66428300      11.56830000      11.69659995      -0.06221059       0.10110619      -0.09256596
Cl       9.53204994       7.38817000       9.85503999      -0.29057304      -0.11112494      -0.67868367
Cl       9.06087003       0.11067781       4.29894996      -0.50309248      -0.50943323      -0.48901773
Cl      10.69729998       9.80901001       1.95158006       0.14658967       0.40891111      -0.14886775
Cl       0.36171699       6.36107001       2.86983994       0.39933965       0.16359743       0.10403084
Cl       8.55573996       1.58300004       7.56544997      -0.05962105      -0.23197492       0.72778701
Cl       8.53761002       0.40786300      11.83909998       0.83338477       0.51895400       0.25571825
Cl       3.20041005       2.98942002       2.33944997       0.63358139       0.14159698       0.14602161
K        3.49024004      11.95410005       0.22344299      -0.48580130      -0.00661848       0.08433094
K        1.20992002       3.59327997       0.10812206       0.89552914       0.25263593       0.53602378
K        9.01730005       2.18348996       1.86320001      -0.45762522      -0.10551358       0.01796980
K       11.24359999      10.75829999       5.27784000       0.20671876      -0.01692198      -0.12310749
K        6.91504998       9.00838001       9.21272004       0.06918996      -0.46377530      -0.28281279
K        2.44788999       9.59665002       9.54130998      -0.54533883      -0.10151676       0.45561147
K       10.89509998       9.47252004      11.21679994       0.42002273       0.00335214       0.25952217
K        1.35659996       3.74036000       4.69739999       0.05483115       0.07721167      -0.21427798
K       10.59120004       2.18638998       5.42346001       0.09800115      -0.02584616       0.02788220
K        7.71509004      10.56659999       2.25375001       0.40949141      -0.42940944       0.62442236
K        5.74436999       1.43314998       3.97952999       0.14852303       0.34432090      -0.07063263
K        6.67084005      11.63480001       6.52190997       0.18513041       0.09545857       0.29192915
K        3.06577995       8.85817005       3.65310994      -0.01294917      -0.06111749      -0.06544017
K        2.46715998       4.49087999       8.68562994       0.13141840       1.11735338      -0.33756189
K        5.74547994       2.63016001      12.32989997       0.07430813      -0.02561253      -0.27344040
K        9.49931001       4.59437997       9.42828996       0.02698268      -0.32853316      -0.11684851
Li      12.28282818      11.45210003       1.11184999       0.06110529      -0.34888615       0.53953308
Li       7.02390999      11.44889994      12.08619998      -0.31225331      -0.28230650      -0.18418885
Li       0.36167605       2.17355999       9.36990993      -0.29355602      -0.08541973      -0.10117347
Li       6.92159995       6.05236998       4.54865005       0.30439747      -0.57574348       0.15303349
Li       6.57209997       2.60916002       7.50036994      -0.06034436      -0.08144288      -0.60418707
Li       5.59937002       5.74023000      10.43930002      -0.41649193       0.11487782      -0.07806388
Li      11.23150001       5.30831003       2.07896997       0.09883852      -0.34341764      -0.22095753
Li      10.11240001       8.42252000       7.88896004       0.21232664       0.08732540       0.40765876
Li       8.28525001       0.65802805       9.68878998      -0.22690943      -0.30165773      -0.51481868
Li       2.90210004      11.82770003       4.93821997       0.03405982       0.05722107      -0.16499010
Li       4.27763000       7.81576998       6.46194999       0.29103042      -0.21317610       0.66962321
Li       4.50019999       5.16596999       1.92756994      -0.24535989      -0.31462369       0.47008869
Li      12.57289248       6.49103003       6.62901996       0.33413327       0.44240113       0.15739722
Li       7.25325999       7.16973004       0.60071805      -0.34643413      -0.72376114       0.39456424
Li       1.88168999       7.97916002       0.97049002      -1.15006071      -0.69632271      -0.67082548
Li       2.76945994       0.85510598       8.13554998       0.36402728      -0.00248779      -0.28529315
64
Lattice="12.22566643 0.0 0.0 0.0 12.22566643 0.0 0.0 0.0 12.22566643" Properties=species:S:1:pos:R:3:forces:R:3 energy=-547.56810645 stress="-0.00473784254585473 -0.0008660610459458279 0.00016056098725966383 -0.0008660610459458279 -0.005687617277457155 0.004969853614531035 0.00016056098725966383 0.004969853614531035 -0.004595949600315127" free_energy=-547.56810645 pbc="T T T" config_type=wetmd 
Cl       9.22504996       0.23703354      11.16839997       0.20752856      -0.26075755      -0.59918707
Cl       1.16594005       0.37673501       3.97005998      -0.49195777       0.24062608       0.66842496
Cl      11.08449999       4.94539002      11.83120005      -0.54121354      -0.99477093      -0.33180240
Cl       4.85394999       4.81127996       8.66871001       0.10933321      -0.13821037      -0.36320718
Cl       3.85720998       8.45117995       8.72807002      -0.47960346       0.97148163       0.70185149
Cl       7.51031002      10.70459999       4.01312000      -0.03766261      -0.14333709      -0.47280965
Cl       3.89775005       5.45841004       4.43398000       0.34284122      -0.15013965       0.44001892
Cl       2.62015996       9.87921004      11.86760001      -0.14152195       0.07165822      -0.11374859
Cl       8.83731002       4.05293997       3.59828003      -0.07761813      -0.07561602       1.16232030
Cl       3.73907997       6.25469997      12.12320006      -0.18620649      -0.44893427      -0.39267160
Cl       0.99323502       6.21676996       9.18496005       0.41483457       0.10234817      -0.36824969
Cl       7.67444999       3.39475997       0.68463194       0.04216522       0.00593171      -0.70153526
Cl       5.38506998       2.00737997       4.94071004      -0.30974040      -0.16369883       0.43084911
Cl       4.20928998       8.67803000       3.15638001      -0.06330047       0.00110630      -0.26412385
Cl      11.84019997       8.54865005       1.97721999       0.08140857      -0.03009045       0.36189180
Cl       6.72197998       1.59681997       9.23626995      -0.21328746       0.05820500       0.17699989
Cl       0.78984896       2.95445003       7.30110002       0.32586107      -0.17895067       0.24793605
Cl       4.71909000      11.12919996       6.60211001      -0.88082498      -0.30393876       0.73956623
Cl       7.31343999       7.04944996       4.78456004       0.29651576      -0.11608529       1.01466961
Cl       2.99029996       1.12609000       9.98922001       0.29712697      -0.01003772      -0.20976820
Cl      10.34330001       9.08413999      11.18610004       0.39655171       0.13469601       0.64354119
Cl       7.59213005       7.65299003       1.43567003      -0.35498441       0.32243883      -0.56714822
Cl       0.88057404      11.37020000       7.40868001       0.55188053      -0.23643096      -0.22791302
Cl       5.45056006       0.06153361       0.84295505       0.64345098      -0.00887182      -0.07370513
Cl      10.19689998       0.00383360       2.06330005       0.22981091       0.16947918      -0.03711488
Cl       9.25689000       9.55894001       7.62576005      -0.16934201      -0.01684995      -0.00042670
Cl       9.61466997       1.56600994       6.49303005       0.35871973       0.48498516       0.09284069
Cl      11.79840005       8.53176995       5.63711994      -0.15726946      -0.54682229      -0.04794073
Cl       0.34868701       5.34408001       3.31573999       0.19496268       0.16569103       0.25773249
Cl       9.72131006       5.28002999       8.10802004      -0.07362254       0.42296234      -0.56495961
Cl       6.92230999       9.12837001      10.15460003       0.45518755      -0.09335355       0.46807308
Cl       2.32605994       2.61479998       1.40439006       0.20628226       0.09410753      -0.03252122
K        0.53213203       7.04032998      11.92170005       0.90787753       0.71565166       0.32732724
K        1.86609002       3.62758006      10.86249998      -0.32482887       0.69638991       0.09347548
K        9.83180001       2.65490995       9.53610002      -0.02785399      -0.16983815      -0.02296887
K       10.67299995      11.37520005       4.75162996       0.05877692      -0.33135075       0.26989605
K        6.21729004       8.23694006       7.43660001       0.81689672      -0.00832832      -0.57611867
K        5.05782997      11.22409998      10.06050005      -0.16531377      -0.19403169       0.20800712
K        8.15218001      10.62019998       0.90521499      -0.81960113      -0.49769679       0.04373251
K        3.82927006      11.57509996       3.86064002       0.24084365       0.19719591      -0.48140966
K        9.68777995       6.75391000       3.06316994       0.49433234      -0.18733989       0.00586249
K        5.84091997       5.24119002       2.00373000      -0.20478388       0.18174234       0.15933272
K        7.28911006       1.56249995       2.98893998       0.62110422      -0.33833275      -0.29493256
K        7.33864003      12.02529998       6.54596999       0.30870646       0.29622458       0.43060083
K        0.37031605       9.80995005       9.52775001       0.18898084      -0.63375886       0.60361090
K        2.60555005       8.58316005       6.34241998      -0.39545233       0.06960078      -0.96840725
K        8.76508005       6.65982005      10.90359998      -0.37987994      -0.21482072       0.09133179
K       11.19319998       3.06336005       1.88065006       0.02692931      -0.37157116       0.22166729
Li       0.48128096       7.67004997       3.76820994       0.20846634      -0.45786008       0.04088069
Li       7.54309999       1.58548005      11.72699996      -0.53621556      -0.16127329      -0.35743436
Li      11.03370002      10.29909995       1.15325995       0.18249120       0.68386299      -0.45801847
Li       3.94015001       8.28755004       0.68083098      -0.12537992       0.48754776       0.28168552
Li       8.79306998       4.19604995       6.31761997       0.33069372      -0.67937569      -0.76143722
Li       3.54386004       6.49941001       9.29638000      -0.48859929      -0.79351475       0.78020882
Li       6.51983005       8.70553995       3.20555996      -0.01853135      -0.07018701       0.36454905
Li       8.93056997      10.27899997       9.99319005      -0.27849214       0.15302860      -0.54702980
Li      12.12260003       4.80365005       7.82997000      -0.23527929       0.58463945       0.01376186
Li       2.97306006      12.15889999       7.82980006       0.00959214       0.06492411      -0.19616585
Li       5.37366001       4.04512997       5.56053996      -0.48979046       0.63797868       0.06780468
Li       2.34125999       4.05455999       3.79867997      -0.47566800      -0.19696035      -0.45089573
Li       9.49805998       7.46003001       6.47516003       0.18129419       0.50409917       0.08661181
Li       4.67492002       2.66885002       9.22495998       0.36125820      -0.21355024      -0.06341088
Li       3.63442998       1.09941005       0.29807899      -0.59404008       0.07772435       0.01182433
Li       0.29406395       0.94735503       6.55606998      -0.35483959       0.84035918      -0.96182466
64
Lattice="10.91759356 0.0 0.0 0.0 10.91759356 0.0 0.0 0.0 10.91759356" Properties=species:S:1:pos:R:3:forces:R:3 energy=-541.11305642 stress="-0.05927142394736909 0.0006803941749291565 -0.000927255310502656 0.0006803941749291565 -0.05563345139532322 -0.005908516481330996 -0.000927255310502656 -0.005908516481330996 -0.06670636415642797" free_energy=-541.11305642 pbc="T T T" config_type=wetmd 
Cl       0.50070639       2.54308005       0.48530647      -0.57941270      -0.34053414       0.26134978
Cl       0.46380645       0.38780646       2.92554999       0.11031205       0.44573166       0.37773552
Cl       8.91122001       5.88590996      10.65950001       1.28796984      -0.09067615      -0.43298309
Cl       9.15230995       4.08984999       7.04444995       0.66453801       0.80374194       0.04962200
Cl       4.27423002       6.20639996       8.00987004      -0.30091429      -0.12707444      -0.12112110
Cl       5.41108995       2.03513999       3.70409996      -0.35935655      -1.14469469      -0.67902490
Cl       5.65512000       3.23661996       6.72339005      -0.09217418       0.22788931      -0.25704512
Cl       3.22715998       7.31248997       2.23692005       1.12638537       0.32711419       0.51637412
Cl      10.15820003       4.16367999       2.98306999      -0.40494515       0.21591424       0.22797954
Cl       1.18699997       5.96937999      10.42720004       0.14662474       0.85876576       0.71811379
Cl      10.14730002       7.44212002       7.42759001       0.32630372      -0.25644007       0.00349179
Cl       7.10162997       3.50759998       1.50928995       0.10640644       0.16334041      -1.10732412
Cl       3.03724003       0.65600643       6.44080997       1.04119707      -0.34812436       0.18709250
Cl       1.74344001       5.85534005       5.52133996       0.12908391       0.41287087      -0.73669818
Cl       8.15181000       9.75773004       4.17110003       1.67508942       0.89976233      -1.15159167
Cl       0.13740643       1.10918001       8.32285004      -0.74016286      -0.15989944       0.87591958
Cl       2.84081003       3.06608005       8.61147005      -0.03659248      -0.13316695       0.02370838
Cl       7.10619996       1.32876001       8.79352005       0.98572110       0.60565810      -0.42745827
Cl       4.71085002       8.79415000       4.78098999      -0.19430748      -0.26875928       0.54025978
Cl       2.38590000       9.19394005       9.56132995       0.23241479      -0.31697412      -0.98468234
Cl      10.87120001       8.08809001       2.61151000      -0.65302554      -0.49698509      -0.54740067
Cl       6.37905002       6.48601995       2.73995996       0.92124671       0.12595777       1.13089541
Cl       0.94232403       9.64189000       5.78067997      -0.33086974      -1.13419025      -0.23150056
Cl       7.00931997       0.50920639       0.68903804      -0.67111663      -0.81182243       1.58551941
Cl       8.56929998       1.34285003       5.48724999       0.89206352       0.46833401      -0.77591473
Cl       9.06137000       9.24869003       9.81594996       0.25501051       0.94460657       0.38415972
Cl       2.63420997       3.00053999       4.22484003      -0.83471385       0.37294992      -0.41015895
Cl       7.15536003       6.40022000       5.63956003      -0.14192393       0.51037286      -0.09424957
Cl       3.72976002       4.17320003       0.57678902      -0.84840958      -1.24814797       1.37413497
Cl       6.14418005       9.42886996       8.22085002      -0.71734756      -1.53160602      -0.12194990
Cl       6.06407002       6.60767000      10.84570001      -1.54377157      -0.02203001      -1.48660623
Cl       3.49145996       0.75550643       0.64665398       0.38609859      -0.35056214       0.55890019
K        9.42483994       2.98827004       9.71983005      -0.84619062       0.37495217       0.09657045
K        4.41957005       0.60130644       8.81180997      -0.34456193       0.42562410       0.43867594
K        0.90923302       4.92073999       7.89357998      -0.49747099       0.03401222       0.19193865
K        0.48520646       1.54934998       5.65646996      -0.24948437       1.05246219      -0.69756671
K        4.62400002       8.93885004       0.42510642       0.34875865       0.53536079       0.54579302
K        5.47275995       3.75793003       9.54044001       1.34483180       0.20322899      -0.48645963
K        8.08590998       8.24657001       1.23774003      -0.02115311       0.08349641       0.92103791
K        7.38374004       3.70219004       4.34048999       0.55547453       1.11432621       0.45922986
K        9.87045004       6.21870998       4.92141001       0.16114806       0.22141419      -0.22026116
K        3.12145005      10.83409995       3.63521999       0.35994679       0.30262269      -0.30874006
K        8.87354001       1.34885995       2.54972002      -0.46144803       0.48789765       0.01240825
K        6.05550997       0.34380648       5.85289996      -0.81891182      -0.34053450       0.04785888
K        8.91839003       9.98979997       7.06794002       0.29906387      -0.16904460       0.24026637
K        4.46184996       5.51639997       4.84798995       0.31552516      -0.18858596       0.02759746
K        7.53117996       6.40993000       8.28467995      -0.39159511       0.16390596       0.33148039
K        0.60120644      10.22790002       0.39780643      -0.40790732       0.42552534      -0.06251465
Li       2.39206997       2.36585999      10.70430003       0.62939356       0.59894193      -0.48224559
Li       0.98169298       2.96057996       2.51059999       0.71211490      -0.11572465       0.67508076
Li      10.41479995       9.58369999       3.97516995       0.07361895       0.45969666       0.66570654
Li       1.37697996       6.76719995       1.83709997      -1.18815250      -1.28383979      -0.94321458
Li       8.51596000       5.03028997       1.60006996       0.20935433       0.29630902       0.58085185
Li       4.05349997       8.29567004       8.44464999       0.46128894      -0.07467694      -0.57849209
Li       6.92611000       8.34580996       4.39496998      -2.28258207      -2.91785665       0.36630017
Li       7.15897998      10.30030005       9.96807003       0.44288040      -0.20233785      -1.22827264
Li       3.45733003       5.79379004      10.15899997      -0.30794981       0.68599702      -0.55613319
Li       2.56084996       7.86431995       5.38269002      -0.11791902       0.54514773      -0.07412300
Li       1.60461997      10.60569997       7.90145003       0.15252408      -0.67327300      -0.42135560
Li       4.68970002       5.64183995       1.68328003       0.60659093       0.60067186       0.08656319
Li      10.37939998       7.64979000       9.53353005       0.67374742      -1.25088420       0.36540828
Li       7.96645000       2.42186998       7.10043002      -0.96762908       0.17961345       0.57763878
Li       5.52271001       2.07577997       1.46619995      -0.71455094      -0.40126837       0.29238705
Li       3.34399995       2.83392998       6.39220998       0.43382263       0.22549750      -0.11296196
64
Lattice="12.37635539 0.0 0.0 0.0 12.37635539 0.0 0.0 0.0 12.37635539" Properties=species:S:1:pos:R:3:forces:R:3 energy=-547.40426928 stress="-0.005987499546217321 0.0009592101520197143 0.001020212421514321 0.0009592101520197143 -0.008095671414505765 0.0021943446024349825 0.001020212421514321 0.0021943446024349825 -0.0033668815909362695" free_energy=-547.40426928 pbc="T T T" config_type=wetmd 
Cl      11.07390005       2.06120006      11.46939998       0.05618709       0.75584857      -0.28650322
Cl       0.97877095       2.35138005       2.41558994       0.68934901       0.15656811      -0.70361205
Cl       8.69515997       4.88843996      11.61490000      -0.04734675      -0.72372305       0.32095990
Cl       7.37322994       5.89373999       8.21903997       0.90446920       0.65104095      -0.54951498
Cl       2.09258996       7.83774005       4.93758003       0.39453927       0.48284519      -0.21539175
Cl       3.97037998      12.06000003       2.59366998       0.67546193      -0.71518356       0.24906225
Cl       7.94675000      10.80279995       5.74688006      -0.20802251      -0.48614836       0.22753808
Cl       1.43984996       4.48377002      11.14319997       0.29638719      -0.09972839      -0.09749243
Cl       9.60540996       2.73461006       2.64450994      -0.02396585      -0.48521270      -0.47416233
Cl      11.95580003       5.82260998       1.21729995       0.29701275       0.30043842       1.08313485
Cl       1.41522003       8.04871000      10.31510001       0.31287396      -0.70212216       0.25070538
Cl       7.89676994       0.76577597      12.21280235      -0.53117117       0.97483014       0.02632434
Cl       2.83172001       0.38615603       7.21653996       0.18531568       1.60728092      -1.04224485
Cl      10.78869994       7.57854006       4.56720002      -0.34169476      -0.21035891      -0.35785729
Cl      11.71840000      11.64480004       3.12949005       0.08004998       1.45494289       1.37180845
Cl       1.39694003      11.89409993      10.30949996       0.18143362      -0.31529048      -0.40801913
Cl       6.35326998       2.62156999       8.58446003      -0.23735734      -0.37318709      -0.11813714
Cl       6.17144004       9.98658995      10.83590001       0.64435900       0.19013700      -0.06341866
Cl       6.80002003       1.20518003       4.10918997      -0.00404247       0.39813821      -0.25410346
Cl       3.60128996       9.47928005       8.26389002       1.29190668       0.05774409      -0.11945993
Cl       1.51284001       9.85682003       1.13841999      -0.49584284      -0.49190220       0.53696145
Cl       5.93491996       5.67954006       5.03825005       0.19850392       0.01030256      -0.83793433
Cl       0.51052095       9.86669005       7.46331000      -1.86294018      -0.42191356      -0.57812634
Cl       8.41797998      10.72889999       2.06569998      -0.42282393      -0.65693772       0.12981210
Cl      11.79369997       2.65880005       6.20238996      -0.12563002      -0.25133384      -0.28756025
Cl      10.23930003       9.97979001      11.57770002       0.34160653      -0.20854507      -0.48964586
Cl      11.65580002       6.23834995       8.15407994      -0.13742907      -0.29090398      -0.70763973
Cl       3.76236996       3.94051002       3.16519002      -0.24544764      -0.26397021      -0.12918743
Cl       3.49081997       6.67500003       1.37368003      -0.31476281       0.21048829      -0.38636322
Cl       3.06123000       5.92205994       7.73897995       0.30462616      -0.33612804       0.06301605
Cl       5.20720994       5.47582005      11.19519997      -0.49977383       0.25460377      -0.00342270
Cl       3.70038001       2.18608998      12.13560001      -0.29304658       0.75710972       0.82843843
K        9.54628997       3.77087004       8.50456001      -0.19161535      -0.09579663       0.25738062
K        1.06785001       2.24882994       8.96706998      -0.00585806       0.15401597       0.26693691
K       11.27449998       6.06510994      10.92760002       0.18840379       0.32150677      -0.04141656
K        1.99030000      10.93080005       4.35363994       0.06756347      -0.33603957      -0.01111232
K        3.70962998       9.06173994      12.03190001       0.20886446       0.12081307      -0.26013780
K        4.49248000       3.30040999       5.96449005       0.30462754      -0.29725110       0.32791093
K       11.09139997       9.29329994       2.09966998      -0.58201641      -1.24043259      -0.44582943
K        6.34996995       3.26391002       1.76568994      -0.11381453       0.01422406      -0.08901723
K        9.15039004       4.87040006       4.52438996      -0.07473818       0.36048034       0.20390772
K        6.10216995       7.96252997       6.62645006      -0.17792178       0.42606865       0.15840106
K        4.96236999       0.27881095      10.82969996       0.45556421      -0.38936389      -0.61209003
K        5.43153002      11.66810001       7.13603003       0.61560744       0.20232665       0.03504325
K       10.91810005      11.56219999       6.02131002      -0.50256503       0.13083585       0.01076532
K        1.30718001       5.18613004       5.19511998      -0.45192124      -0.54590860       0.04918870
K        7.52803995       7.34611000      10.72150004       0.13049857       0.35388028       0.26744840
K       12.33390004      12.30550001       0.40219702       0.06947802      -0.17786428      -0.02266497
Li       3.38654002       6.37113005       9.99684995      -0.67423544      -0.22699587      -0.03567067
Li       0.22655005       3.54395996       0.61756900      -0.39014787       0.26766459      -0.37742193
Li       1.31591995       7.45898001       1.47594003       0.01998145      -0.07123378      -0.12332654
Li       3.13781996       4.35745000       0.37489800       0.15514582       0.28997605      -0.09984100
Li       9.15496001       2.65880995       0.29588895       0.56777925       0.39327038      -0.44467931
Li       4.03502998       6.22102999       3.39993000       0.34294082      -0.11713522       0.77246058
Li       8.28761005       0.47666295       2.08073997       0.20362876       0.82590995       0.32801759
Li       8.18562999      11.02519996      11.85150002       0.04730016      -0.70356930       0.16063646
Li       1.95509001       8.16191999       7.56101997       0.28665031      -0.79819884       0.00387285
Li      11.46390005       7.69284003       6.54466005       0.24432092       0.29166701       0.44956342
Li       2.08352997      11.08009999       8.03827995       0.19496769      -0.28284922       1.35187269
Li       5.90417994       4.81322996       9.21292999      -0.39545961      -0.98298036       0.13347481
Li       0.17317900       9.80685000      10.11679998      -0.23752103       0.51994984       0.13904242
Li      11.94260003       1.62054995       3.72942002      -1.04173645      -0.17986905       0.56605110
Li       3.10180006       1.37703006       1.78868002      -0.35165757       0.84573637      -0.07573324
Li       6.93667999      11.41569996       3.72151994       0.02510163      -0.30256704       0.17900204
64
Lattice="12.49662223 0.0 0.0 0.0 12.49662223 0.0 0.0 0.0 12.49662223" Properties=species:S:1:pos:R:3:forces:R:3 energy=-546.44867076 stress="-0.0005510021482894928 0.000796919286815248 -0.0015265707651998714 0.000796919286815248 -0.0031912070327471355 0.0020294655956073233 -0.0015265707651998714 0.0020294655956073233 -0.000768405975981147" free_energy=-546.44867076 pbc="T T T" config_type=wetmd 
Cl      10.20950005       3.90034001      11.66229999       1.00121890       0.51706528      -0.41210200
Cl       1.75290995       1.74146004       2.87486994       0.13052712       0.05247277       0.56810991
Cl       9.17645003       1.67026004       1.44062998       0.84563671       0.69963587      -0.78773829
Cl       5.82396994       4.90224995       5.72290001       0.77906241      -0.49982721       0.34229442
Cl       3.68003006       8.46835005       3.57274006      -0.10813390      -0.53740638      -0.16949484
Cl       4.94631004      11.65549996       5.48865994       0.37463134       0.68810116       0.67554221
Cl       8.53422999      10.79730005       5.65030000       0.71542924      -0.50895367       0.81140922
Cl       1.45037997       3.50078001      12.18909998      -0.30271286      -0.61245348       0.41300521
Cl      12.39470003      11.16460002       1.87802001       0.00043548       0.03645951       0.50538818
Cl      11.64799998       4.20363003       3.37374997      -0.13078354       0.18223375      -0.26770856
Cl      10.22689997       6.98826998      10.03419993       0.34523399       0.41008769      -1.04486708
Cl      11.12189994       0.05180612      11.04499997       0.87886795       0.20443505       0.66396321
Cl       3.19791999       1.33680005       9.19713994       0.22631209      -0.43102293      -0.78106811
Cl      10.10050001       7.53863997       5.31786998       0.30009501       0.22511537       0.58882486
Cl      11.74109994       2.33708005       6.64726003      -0.01305355      -0.03114803      -0.24228781
Cl       1.36197999       9.80540003      10.72859999      -0.65842692      -0.29026260      -0.26564786
Cl       7.34305996       2.20786997       8.53541005      -0.56517362      -1.13299886       0.51293496
Cl       6.17851998      10.75060005      10.30459997       0.09029554       0.32884032      -0.49758267
Cl       8.27392998       1.62635003       5.02012996      -0.16446673       0.53875031      -0.54483221
Cl       4.96701994       8.04857001       7.53760000       0.51548674      -0.13900238      -0.09726833
Cl      11.83863221       7.35013005       0.88227603      -0.42807222      -0.12581213      -0.06366273
Cl       7.13441998       6.81839003       1.45166000       0.27949308       0.32815017      -0.18108610
Cl      10.99820000      10.63659998       8.41486001       0.17286271      -1.12596891      -0.14298242
Cl       6.91120994      11.14629996       2.73347003       0.38760574       0.85303046      -0.50340624
Cl       2.14608005       4.94679003       5.79934997       0.11352384       0.08849825       0.05653461
Cl       9.26175997       9.85154006       0.01647780       0.47072265       0.37164316      -0.22779958
Cl       1.66614003      10.49300005       6.07292002      -0.91659596      -0.05485972       0.25155902
Cl       4.61936004       4.53767999       1.70164006      -0.30965121      -0.57149699      -0.17850891
Cl       3.92624001       7.93646994      11.94020000       0.74911780      -0.11199314      -0.19615048
Cl       2.13594004       5.68688999       9.49670997      -0.00576941       0.50990202      -0.26146109
Cl       6.45321998       5.33385004       9.90784996      -0.21002440       0.48884069      -0.61660611
Cl       4.92612000       1.45353999      12.14221927       0.36793620      -0.21296514       0.51585066
K        9.50291004       0.43141602       8.90067994      -0.34635831       0.46381616      -0.52015203
K       12.11099996       4.77014003       8.13005999       0.16017229       0.38179963       0.20741180
K        7.57840997       3.58511996      11.80510002      -0.95989417      -0.45410603       0.48843809
K        0.61561198       0.25040094       7.90929004       0.41889683      -0.43405019       0.24722024
K        6.51083003       9.44863996       0.56411202      -0.70999091       0.26289966      -0.58031303
K        4.44340997       2.25224998       6.16443004      -0.27277205      -0.04747761      -0.01658094
K        9.92848001       9.32274999       3.07267997      -0.08543990       0.32391086      -0.68111491
K        3.90539002       3.74494001      10.76199996       0.01745790       0.50479660      -0.21307789
K        7.19058005       4.53621001       3.04332003       0.45072261      -0.60282694       0.62611371
K        6.36085994       9.07150002       4.38863003      -0.14208682      -0.45885390       0.70901364
K        2.08529998       0.19869005      11.67219994      -0.24726078       0.04139921       0.37300079
K        3.63525004      10.47700000       8.19339999       0.01497691       0.33817185       0.18098032
K       11.23570005       1.09253994       3.95674001      -0.19480840       0.10130716      -0.43436652
K        0.64745900       7.44706997       3.98985994       0.24255856      -0.30860501      -0.06949136
K        8.29817005       9.20885002       8.61323002      -0.44811837      -0.25556058       0.12474270
K        2.54179997      11.45389995       3.54269005       0.32145562      -0.29336083      -0.23757294
Li       5.82855995       0.58977096      10.23979999      -0.32753756      -0.12933417      -0.07613058
Li       9.76926005       7.87340998      11.89689996       0.30007308      -0.49416083       0.92460665
Li       5.09232995       7.21536997       9.62009999      -0.33268202      -0.26281055       0.34669757
Li      11.12169999       4.98871995       0.95540101       0.65468476       0.15370790       0.41438913
Li      11.06629996       1.97656000      12.25052325       0.06827815      -0.20787682       0.39801398
Li       4.72825998       6.65946998       1.12454004       0.06454738       0.15089812       0.31277649
Li       7.85973006       0.70504705       2.60360001      -0.89484689      -0.81330591       1.12488932
Li      11.56590005      10.60609998      12.43630003      -0.15592775       0.03768744      -0.20165818
Li       4.45211999       6.54342997       5.90453004      -0.97512983       0.18263750      -0.08937786
Li      10.47489994       9.52649004       6.54049002      -0.05548528      -0.04546732      -0.66503907
Li      11.84369996       8.78723998       9.78684004       0.20071026       0.15177672      -0.00251595
Li       7.02186003       4.12345995       7.83202005      -0.35877807       1.31926502      -0.34660408
Li       2.04298004       7.21507006      11.08500003      -0.41399864       0.17524826       0.11391474
Li       0.85933998       3.38643004       4.82954997      -0.24634346       0.16759980      -0.44208807
Li       3.07456996       2.78457997       1.33755996      -0.20199627       0.38505979      -0.10409966
Li       7.17735000       0.08243522       6.04735006      -0.47670911      -0.47127526      -0.33518117
64
Lattice="12.57534378 0.0 0.0 0.0 12.57534378 0.0 0.0 0.0 12.57534378" Properties=species:S:1:pos:R:3:forces:R:3 energy=-545.93871219 stress="-0.0016407330040101406 0.0016147124957473355 -0.0011162136538398803 0.0016147124957473355 -0.0014018890993918566 0.00012805454613209645 -0.0011162136538398803 0.00012805454613209645 -0.0001626051813625366" free_energy=-545.93871219 pbc="T T T" config_type=wetmd 
Cl      11.43089997       5.20850003      12.34880072      -0.11854124       0.43319198       0.06329997
Cl       1.65025004       1.36369002       4.27132995       0.98061296      -0.53018131       0.86165355
Cl       9.14903003       2.14598003      11.67670003      -0.56659907      -0.34827745      -0.76167714
Cl       6.76425994       6.99333001       7.49027000      -1.15865883      -1.70250006      -1.34111536
Cl       3.48305006       7.97631999       5.22684997       0.01200625       0.43076579      -0.59126316
Cl       5.01395996      11.17179998       3.99344000       0.29179689       0.22750545      -0.04844663
Cl       9.17019999       9.06272997       6.41922998      -0.31956908       0.13861304      -0.46759459
Cl       2.82279006       4.94381004       1.91106003      -0.01987925      -0.17197048       0.25534699
Cl      10.45119996       9.04434004       0.80255995       0.24518146      -0.67734715      -0.16643463
Cl       0.55685999       6.40783005       4.17028002       0.13614468      -0.46249576       0.15870862
Cl       5.49128996       3.40808001      10.10839998       1.23626837      -0.21592672      -0.48904742
Cl      11.70430002       0.10960204       1.16553995       0.47425916       0.33338677      -0.58873052
Cl       0.18423897      12.41810005       8.35552998       0.37262480      -0.45461417       0.50012139
Cl      12.26567280       4.97853006       7.58764001       0.51349575       0.32235226       0.22448083
Cl       2.34762001       3.96760006       9.73971002      -0.73960822       0.76353597       0.02600570
Cl       9.45708998       9.21552995       9.76116997       0.41391214       0.02102232       0.55827168
Cl       4.87876005       1.16877006       7.49952004      -0.11407189      -0.17930446      -0.10491484
Cl       6.05313997      10.08669997       8.21930003       0.30403649       0.99142578      -0.08027493
Cl      10.47650004       2.86021001       4.70651003      -0.31348834       0.20857522       0.06979140
Cl       2.90367995       7.40048003       8.29493996      -0.12695422      -0.83723830      -0.30916821
Cl       2.13002996       8.50880997       1.32641004      -0.03621017      -0.17802828      -0.36470221
Cl       6.16594998       6.96379003       1.82884004      -0.06998491      -0.44344934      -0.40497792
Cl       9.15320001      12.14160005       7.99861004       0.38375332       0.70391512       0.65244605
Cl       6.41527994      11.47579999      11.35770003       0.82461274       0.24913269       0.12339341
Cl       5.02760006       5.01335999       5.07132000       0.22641604      -0.61805140      -0.30101402
Cl       8.11982000       5.83075004      10.12209994       0.77843211      -0.33878281       0.45129387
Cl       0.05005628       9.21227005       6.04211001      -0.06566853       0.21654410       0.43132032
Cl       5.95651995       3.29982001       1.57579005      -0.11623658      -1.28051441      -0.15803037
Cl       3.12261002       9.92848995      10.49720006       0.14874630       1.06464823      -0.03925396
Cl       0.37905997       7.87733996      10.40850000      -0.15199619      -0.34346837       0.45133515
Cl       5.39051995       7.33522997      10.56859997      -0.80448331       0.37182436       0.31235246
Cl       3.79345997       0.98417394      11.13250002       0.03154597      -0.76377504       0.37608085
K        8.14156994       3.28879005       8.51080002       0.09708185      -0.02685860       0.12788659
K        1.06072006       1.70518996      11.21230000      -0.90028400      -0.09237899       0.21685473
K        8.30568006       4.38678997       0.69939296       0.97183651       0.44063733      -0.28170954
K       11.34310005       2.08105994       7.38064004       0.03917267      -0.03149508      -0.22348239
K        7.77189998       8.08114001      12.17016784       0.00653788       0.25438798       0.03114291
K        5.08660999       1.81563002       4.08151998      -0.34864486      -0.07556431       0.17591507
K       11.81150004      10.89460004       3.33811004       0.12321812      -0.29935237       0.18750148
K        4.45993005       5.06788002      12.11439996      -0.25970033      -0.08852151       0.28576731
K       10.63919996       6.51404996       5.67945998      -0.13407211      -0.02279011      -0.09655055
K        6.64439000       8.48775004       4.11681997      -0.14558211       0.09698918       0.75258719
K       11.96219995      10.56600002      11.27099995       0.14514238       0.54504788       0.16075148
K        2.59851999      11.08710001       6.33572995      -0.13200287       0.10775336      -0.08427912
K        0.17474094       2.90874995       2.66061000      -0.76998988       0.58072112      -0.63111903
K        2.37625997       4.02219001       5.90477996      -0.49555953      -0.22621228      -0.04973201
K        7.25686998      11.69550004       6.06632006      -0.36278368      -0.03152423      -0.37414960
K        4.43710002      11.09680000       0.98005200      -0.43730538      -0.09656426      -0.04296535
Li       4.76538000      11.73580000       9.81244996      -0.34116329       0.05041083      -0.02098971
Li       1.39196996       7.23291005       6.50217997      -0.20928330       0.56286712      -0.64590319
Li       4.46427005       8.92196006       8.94205999      -0.44764425      -0.80692120       0.66750647
Li      12.46418378       7.10236994       0.46568598       0.22591589       0.26486287       0.33026434
Li       8.03105996      11.11130000       9.74881004       0.03751033       0.01714976      -0.23885251
Li       2.60819999       6.83632999       3.24777003      -0.17662403       0.33769997      -0.11333229
Li       7.00629004       1.47940997      11.12979996      -0.13163046       0.03140689       0.41135049
Li       7.70319999       8.45336000       8.53649999       0.60839744       0.55240618       0.13684051
Li       4.65274000       6.68247003       6.58293002       0.11160983       0.16717217       0.08315251
Li      10.76260005       7.41020995      10.98120002      -0.16234458      -0.44362115      -0.08222016
Li       2.87993003       8.09285004      11.68379994      -0.12869127       0.09038733       0.04859025
Li       5.87408996       5.45314001       9.21855005       0.44145166       0.73507109       0.15643540
Li       1.28128996       5.96717001       9.22082996      -0.36929016      -0.11760177       0.01250890
Li       3.57207997       2.29907000       9.35372003       0.98775234      -0.54154904      -0.49713848
Li       5.10792004       4.92553995       2.54269000      -0.49749599       0.95572529       0.79826182
Li      10.85300005      10.09360006       7.81061003       0.00256958       0.17974498      -0.50014983
64
Lattice="12.05045607 0.0 0.0 0.0 12.05045607 0.0 0.0 0.0 12.05045607" Properties=species:S:1:pos:R:3:forces:R:3 energy=-547.88258754 stress="-0.012675027613285218 0.00018758606017477096 -0.0008154121231326359 0.00018758606017477096 -0.010900044347969555 0.00013801631301397157 -0.0008154121231326359 0.00013801631301397157 -0.003540219165829436" free_energy=-547.88258754 pbc="T T T" config_type=wetmd 
Cl      11.92720003       8.32739994      12.03638114       0.48372824       0.12623335       0.67737975
Cl       1.24317000       3.89063001       5.93875999       0.15525852       0.31997899      -0.06574502
Cl      10.00220004       0.43005595       6.46320005      -0.38707695       1.26452785      -0.00691532
Cl       3.82257000       9.82009006       8.01434994       0.65571110       0.63902524       0.20480563
Cl       5.78694003       4.87591000       4.32997000      -0.27961510      -0.11873200      -0.21030990
Cl       4.88150997       9.97326003       3.96218996       0.00003887      -0.27586400      -0.10798874
Cl      11.18820003       1.27118996       3.01221997       0.13188544       0.19571370       0.29636670
Cl       2.37034001       6.50092003       1.72718006       0.28841934       0.13602160       0.42811849
Cl       8.65265995       9.64088001       1.39669004       0.62766505      -0.16246958      -0.04890586
Cl      10.91769994       5.32898004       3.67272005      -0.17939794       0.07559721       0.00426771
Cl       7.45468001       1.34313998       2.49196997      -0.16365513       0.40878399      -0.37844987
Cl       2.57962004       0.58284405       3.66378005      -0.24196460       0.09267146       0.35065940
Cl       5.87234004       9.88553006      11.76279999      -0.66395645       0.15212969      -0.59098303
Cl       7.98211003       2.97293006      10.91750003      -0.70307630      -0.38902018      -0.78448706
Cl       1.83180995       5.35641001       9.88464001       0.12304297       0.43591966      -0.67411588
Cl      10.42909998       0.61357295      10.24830000       0.14989925      -0.26006233       0.30671554
Cl       4.32776994       3.76552001       7.75174002       0.56030955      -0.22622309      -0.74874701
Cl       5.65725001       0.67944002       9.26843994       0.38765551       0.43032775       0.20557938
Cl       0.04414395       4.39362002       0.19924393      -0.26023605      -0.37492171      -0.07860967
Cl       0.11599504      10.39769999       7.93849003       0.15964788       0.04072247       0.02149359
Cl      11.61230004       8.95597005       4.50961000      -1.88487691      -0.47711014      -0.68963355
Cl       8.42492995       5.99098004       0.54190901       0.66043220      -0.11605760      -0.49591318
Cl      10.68770000       4.06366998       8.36007006      -2.16684074      -0.18606641       0.39496710
Cl       3.19000999       6.91015002       6.99970998       0.06990696      -0.50588667      -0.23688358
Cl       7.27431999       2.13464996       6.47183999      -0.17383749      -0.24938539       0.49408843
Cl      10.40610000       7.37794005       9.06354001      -0.01143829       0.01239224       0.94176031
Cl       8.13774999       9.34147004       6.38047006       0.05431018       0.02647938      -0.31359304
Cl       3.85336000       2.93637006      11.73629996       0.00510958       0.17801526       0.19274259
Cl       2.36457001      11.05350003      11.12629997      -0.31283602       0.52593475       0.54249519
Cl       5.46179004       6.39188003      10.39629997      -0.84433572      -0.19316238       0.89581537
Cl       7.31750002       5.45657003       7.96662001       0.34233625      -0.51880815      -0.42897684
Cl       2.04503000       1.94201005       8.94319006      -1.49081008      -0.19307672       0.20192875
K        7.67677003       0.04304399      11.74760003       0.20509438      -0.02893891      -0.14122904
K        3.97164004      11.50890002       1.44175995       0.28553699       0.11572445       0.29593280
K       10.02150005       2.32812004       0.65775498       0.36099495       0.27455210       0.31984762
K        0.73464099       1.06207996       6.17278997       0.52739999      -0.33497747      -0.18660061
K        7.18454999       8.29517003       8.88978003      -0.13968871       0.23134640       0.52673251
K        1.52787998       3.51712998       2.84014006      -0.23686983      -0.00625147       0.01648885
K       11.88509995      10.71540002       2.24782001       0.11337142      -0.07229391      -0.52072020
K        6.31447995       3.85660000       1.25950005      -0.17711282      -0.03216805       0.14318779
K        9.93527000       6.54743997       6.45473003       0.08860653      -0.12882109      -0.66087058
K        5.76430999       7.57445997       5.40928006      -0.11674084       0.14969870       0.44356756
K        1.74069995       8.65581006       9.85602994       0.06529280      -0.65265093      -0.85547586
K        1.90259999       9.30695995       5.43916001       2.14838714       0.33747236       1.04069980
K        9.20857002       2.73962997       4.64926997       0.65306545       0.45230825      -0.67802358
K        5.47404005      11.95179995       6.39643004      -0.56296625      -0.51291108      -0.05688490
K        7.65538999      10.88049995       3.76843995       0.36801063      -0.09613904       0.29992723
K        6.23445998       7.50124996       1.34305996      -0.51415050       0.45270885       0.16611513
Li       0.38036698      11.47820004      10.11500003      -0.16490839       0.24449021      -0.60470777
Li       0.56803295       4.06761000       8.18953995       2.72767758      -0.32380984      -0.62891684
Li       4.09331000       2.40301000       9.38460995       0.18107661      -0.54786094       0.79838860
Li      11.89441905       7.20084004       2.77242999       0.13158604      -0.32424705      -0.09144043
Li       8.16083999       5.01322001      10.32170005      -0.05430651       1.01288500      -0.15552683
Li       3.32263996       4.87901998       5.97295002      -0.26975833       0.10576061       0.01575601
Li       2.94455003       6.02153999      11.71630006       0.38222115      -0.15177237       0.32487407
Li       1.69695004       3.34375995      11.02470004      -0.00053672      -0.44530871      -0.06633841
Li       7.10484996       2.72854994       8.63257003      -0.22968102       0.04303032       0.40177558
Li      11.65280006       5.68621002      10.27800004      -0.59749885       0.29984288       0.25406291
Li       4.43919003      11.10449997      10.25160002      -0.01473398      -0.56948217      -0.58031720
Li       9.86287002       8.07433000       0.19854392      -0.96419926      -0.30181252       0.01007201
Li       3.91178001       5.48962997       8.97095997       0.23853559       0.84705170      -0.26637394
Li      10.19850005       1.84184003       8.39375000      -0.02106853      -0.31987498      -0.09906604
Li       6.06578999       3.88556002       6.34102000       0.11821674       0.73946279      -0.06136994
Li      10.23300002      10.44449998       6.50228004       0.37774345      -1.27064233       0.29750726
64
Lattice="11.88707539 0.0 0.0 0.0 11.88707539 0.0 0.0 0.0 11.88707539" Properties=species:S:1:pos:R:3:forces:R:3 energy=-547.06307598 stress="-0.014000254727721467 -0.000945613941890819 0.001665994014234963 -0.000945613941890819 -0.017746156466696583 0.0026131100439535262 0.001665994014234963 0.0026131100439535262 -0.016924325625510963" free_energy=-547.06307598 pbc="T T T" config_type=wetmd 
Cl       5.84516002       9.32858996      11.80780001       0.44672136      -0.08947177      -0.40031500
Cl       5.03050998       7.18956994       9.12495996       0.06333211       0.98103225      -0.18060151
Cl       7.64718003      11.32719996       8.39962001       0.16518334      -1.03847658       0.19960165
Cl       8.88626000      10.53899997       2.70745996       0.55760231      -0.23209233       1.99519316
Cl      10.61120005       5.75962003       0.65757494       0.24868503      -1.10308651      -0.43387995
Cl       0.48206703       7.99773998       3.86434996      -0.88986830      -0.07403343      -0.01039891
Cl       4.47539996       7.87317996       4.08385004      -0.35336902       0.37984217      -0.37690726
Cl       4.93977997       0.41369198       9.83622003      -0.75530115      -0.12752825       1.23387478
Cl      10.42529998       1.37122003       6.96422000      -0.34280574      -0.80949585       0.64569769
Cl       3.55470995       4.46134005       8.93817002      -0.23577379      -0.54401467       0.15251640
Cl       4.79628003       1.38460000       6.88068001       0.71009577       0.08815739      -1.23284032
Cl       2.50918997      10.15549998       9.42614006      -1.17436812       0.44368691      -0.30711957
Cl       1.99734997       1.40364999       7.87242002      -0.96823415      -0.49006147      -0.47412422
Cl       8.00944994       6.94191996       4.26427005       0.68216243       0.14502183      -0.71507132
Cl       1.35809004       6.91284002       7.70963995      -0.37380407       0.23292131      -0.38769269
Cl       1.74230005       7.28113002      10.99129998       0.20491140       0.64660166      -0.55930243
Cl       4.63526995       9.80133003       6.91653999       0.72279805       0.41285682       0.33017854
Cl       2.15010995       3.99263005       5.63992004      -0.06483584       0.08266810      -0.06189313
Cl       1.71827996       2.00813001      11.19040005       0.66099687       0.05960586       0.29468477
Cl       0.93979801       0.70526304       3.62262997       0.34637354       0.63143849       0.13328467
Cl       3.96643997      11.63090000       1.50052003      -0.44112023      -0.28828401       0.10448649
Cl       5.63293995       4.99708994      11.30749999       1.21023357      -0.23024963       0.52817792
Cl      10.96990003       9.38842997      11.53080001       0.23071821       0.27805694      -0.16667384
Cl      10.72770004       9.98425001       7.67466996       0.42889515       0.11072981       0.37270274
Cl       5.60519004       4.39000999       6.11182005       0.52486649       0.39766570      -0.33688796
Cl      10.60149995       0.67639194      10.61909996      -0.03469489       0.51932983       0.12028795
Cl       7.35203001       2.93597995       9.07801005       1.10307007       0.32622111       0.24429422
Cl       2.86602000       5.18427001       1.12063002      -0.42493868      -0.42857762       0.66829008
Cl       8.66438999       6.19084996       8.27692994      -0.32924283      -0.45620728       0.19252276
Cl       0.18382459       4.01803000       9.13576995      -1.47754317      -0.12797748       0.70120146
Cl       6.65452994       2.65431000       2.58142998       0.15282194      -0.09980867      -0.21204520
Cl      10.71210004       4.05249003       5.81327995      -0.23028588       1.04218206      -0.34993233
K        2.32538998       8.28137999       1.77114000       0.67986665      -0.00693351      -0.15408806
K       11.06410000      10.74090004       4.64012998      -0.34646275      -0.04454081       0.61060303
K        0.41514600       4.71525000       3.39514998      -0.08216582       0.20685908      -0.39662393
K        9.98252995       8.04984995       1.93913005      -0.34923800      -0.19487782       0.94277794
K        8.64695998       8.26136001      10.25710000      -0.35175291      -0.16616420      -0.10128573
K        6.13766006      10.30190001       3.18532004      -0.71266866      -0.27769006       0.16377298
K        2.36597995       8.78219995       5.78242004      -0.21486547       0.07163064      -0.08771306
K        5.52072001       5.94007000       2.37203000       0.54839519      -0.40759357      -0.04912535
K        4.49657001       2.47330003       0.52519797      -0.23224562       0.01859067      -0.28385200
K        6.29165997       7.31818001       6.41791997      -0.13778474      -0.18084915       0.09711907
K        0.71194001      11.63690000       0.87001600       0.34400534       0.19305884      -0.02096720
K        8.58063996      11.51600000       0.44015998      -0.88258625       0.66708590      -2.13152750
K        8.06461001       2.60415997       5.20356000      -0.10940518       0.24784777       0.30293622
K       10.49040002       7.51351997       6.49626994      -0.06170095      -1.11769344      -0.69869745
K        8.62001994       3.44680004       0.16342458      -0.15223350       0.31362441      -0.22062485
K        3.81433997       2.31584003       4.09693997       0.28928989      -0.45572476      -0.33561147
Li       6.25161004       4.87222002       8.97830994      -0.20374514       0.42714342      -0.09181712
Li       6.32994004       1.19361001       8.45078995       0.31465658      -0.19532089      -0.45257523
Li       0.72892402       5.35635005      11.21189997      -0.29938525      -0.50773303       0.12386409
Li       9.82196005      11.78469997       8.74718003      -0.31592770       0.14169658      -0.79705225
Li       1.55287000       4.65441005       7.70005005       0.40714315       0.70550534      -0.29246379
Li       3.43706999       2.22146996       9.31418996      -0.13101984      -0.19117765       0.70564748
Li       0.37488900       1.69213006       9.38609999      -0.07913867       0.29058155       0.23499771
Li       0.49198703       2.40988997       6.35539003      -0.17799463       0.01943740      -0.32737597
Li       3.60505005      11.63389994       7.78842998       0.08522897      -0.14380866       0.21641642
Li       2.73586996       8.07261001       8.95121003       0.42375428      -0.81961416       0.21637272
Li       3.98919005      10.45910004      10.87950002       0.76000340       0.59335251       1.42003046
Li       3.65669001       5.96087000      10.66759994       0.16075280       0.00571375       0.40278119
Li       3.86265998       3.44770999       7.05559000       0.28983459      -0.01238546      -0.55781850
Li       5.71861996       9.52867000       9.07737005       0.07052991       0.17132094      -0.18068822
Li       0.18862459       9.81906995       9.47525995       0.01246470      -0.23830061       0.25091446
Li       9.78496997       3.64645000       8.10423998       0.09111383       0.24830628      -0.21963569
64
Lattice="12.43512694 0.0 0.0 0.0 12.43512694 0.0 0.0 0.0 12.43512694" Properties=species:S:1:pos:R:3:forces:R:3 energy=-545.8191549 stress="-0.010760813387347615 0.003722632063512383 -0.0022217099437031058 0.003722632063512383 -0.01010264841582689 0.0017555590710065117 -0.0022217099437031058 0.0017555590710065117 -0.002800628452410882" free_energy=-545.8191549 pbc="T T T" config_type=wetmd 
Cl       6.66562994       5.88726996       7.78340000       1.48002749      -0.72827923      -1.06735726
Cl       5.26472000       6.25304002      10.84929995      -0.30386696       0.18533918      -0.34376816
Cl      10.58630000       9.72316005       5.13197005      -0.64658389       0.09159675       0.24997801
Cl       6.92324996      11.75979994       2.23395998       0.12068687      -0.41546790      -0.21161459
Cl       0.42967803       8.63097999       9.74444004      -0.28123744      -0.73625032      -0.29235112
Cl      10.75030005      10.78220000       0.24330905       0.09148769       0.18530622       0.69816400
Cl       5.86224004       7.66390005       2.60867998      -0.13206531       0.62900025      -0.07189878
Cl       4.75735998      11.75580006      10.77300000       0.27720327       0.58416527       0.19187952
Cl       6.96138004       0.97498595       6.86654006       0.43560961      -0.44900483      -0.71308479
Cl       1.45641997       5.35969005      10.75769994      -0.38247032       0.36181543       0.76850594
Cl       1.09000006       2.18066999       8.14831004      -0.51890371       0.44604369      -0.96369360
Cl       3.54250006       8.82776998       9.59898996       0.46478414       0.75327641       0.25269737
Cl      11.06260005       3.12806004      10.61399999       0.12726762       0.12441883      -0.05226852
Cl      10.44819995       7.23417004       2.38618994       0.81292107      -0.83596690       0.37445774
Cl       1.71190003       8.99639005       6.44324001       0.11335091       0.38197589      -0.22466007
Cl       8.56563999       5.39351994      11.87329995      -0.22562528      -0.00502891       0.08581589
Cl       5.91078006       9.08682999       6.87215999      -0.09069279       0.03988458       0.44933539
Cl       7.28037002       3.84726998       3.08381001       0.10104176      -0.47488157      -0.01512714
Cl       1.00821995      11.94850001      10.00739995       0.16875762      -0.14906824       0.03757598
Cl      10.97970004       1.07937001       5.73377001       0.86644896      -0.31955195      -0.42220217
Cl       2.49493997      11.26869997       2.95488000      -0.22122868       0.18466505      -0.24261031
Cl       3.76165002       2.60357996      10.12939998       0.10773398       0.04128500       0.68518030
Cl       7.53842004       9.16556001      10.23999999      -0.09817141       0.11134976       0.21437688
Cl       3.77387997      12.24220005       7.35189003      -0.57766976      -0.63873627       0.08281350
Cl       4.60257996       3.08597994       6.81022995      -0.16880435       0.20358731      -0.54023217
Cl       9.64165003       0.49329601       9.08404999       0.45686370      -0.78698061       0.04640077
Cl       6.86693997       3.19290997       9.53460001      -0.05004598      -0.63469844       0.41210948
Cl      11.82510003       2.24306001       2.21649000       0.55729699      -0.12869735       0.35425414
Cl       9.43749994       3.50000003       7.35508001       0.17201276       0.23730555      -0.43993973
Cl      10.02119995       6.46358997       8.96973996      -0.92059519       0.38655214       0.09685876
Cl       3.38159002       6.20722006       7.79427004      -0.05129080      -0.54363037       0.51467760
Cl       0.31324396       5.28420000       7.46381003      -0.17511583       0.57040189      -0.39867058
K       11.88450002       8.23050996      12.33440888      -0.08435379      -0.37301732       0.05106718
K       11.88400000      10.41129996       7.79595998      -0.76475380       0.68060873      -0.05416717
K        1.42148995       0.86144802       5.10977994       0.41387972       0.14609248       0.44855479
K        9.94351001       4.40096999       1.53769994       0.25504960      -0.49267458       0.12097222
K        8.70242005       9.23392000       1.98253005      -0.79599782       0.58919946      -0.10281174
K       11.07130004      11.98799994       3.33463000      -0.30031349       0.09090091      -0.70173306
K        4.53354001       9.91384999       4.65011995      -0.10322023      -0.00769761      -0.03972811
K        7.31176996       6.19949996       4.63741000      -0.13769839       0.19610951       0.68025552
K        1.76330001       0.68172798       0.34685896      -0.24677891       0.07254045      -0.28198558
K        8.64142003       8.71680998       7.39747994       0.19054727      -0.04522818       0.30417198
K        8.32294996      12.11600005      11.81569994      -0.24796308       0.24101500      -0.59222074
K        4.90009000      10.05099999       0.69522805       0.00556457      -0.26812571      -0.16965069
K       11.29040001       4.00073001       5.17669995       0.01053485      -0.06084328      -0.21241179
K        0.30302203       8.47839004       3.97370997       0.43242084      -0.32240255      -0.28263055
K        5.86267999       5.26151000       0.90423294       0.14271597      -0.36425333       0.07567809
K        5.56005999       1.28061998       3.76407002       0.19750636       0.50525049       0.74892541
Li       7.05308997       3.44254004       7.14693004      -0.24139457      -0.28245239       0.31626765
Li       5.45726004       1.20216005       8.64885997       0.02718701       0.32763093      -0.08575704
Li       3.10058002       6.81129005      10.25799996       0.22593692      -0.30674151      -0.12158365
Li       9.23567995       1.09768994       6.93179003      -0.74129719       0.21607578       0.74299749
Li       1.31215994       7.32326996       7.98162003       0.47550537      -0.12953126      -0.18744541
Li       4.95395996       4.24611001       8.73880001       0.49927339       0.32312024      -0.01259286
Li      12.00140003       6.25460000       9.67362995       0.55393086      -0.20093382      -0.00252691
Li      11.79549995       3.57837006       8.48592996      -0.55907392       0.08640578       0.17583964
Li       2.33550996      10.24129996       8.32435998       0.38102031       0.31860097       0.25525764
Li       5.39798999       7.23832001       8.62975004      -0.96848757       0.96650434       0.26831571
Li       2.60718005       1.03897997       9.10103998       0.33391890      -0.80669441       0.03322651
Li       8.03187995       6.89988000      10.48209998      -0.25349208       0.37907293      -0.65827366
Li       2.52325998       4.19054004       9.24111994      -0.58429164      -0.04061732      -0.80661400
Li       5.18749003      10.28870005       9.11884994       0.47025879      -0.07701101      -0.26246965
Li      11.88459999       1.16532994       9.38192997      -0.45494937      -0.15827847       0.49954243
Li       8.92336005       4.06501999       9.55338998       0.35968834       0.12564845       0.33792810
64
Lattice="10.92247111 0.0 0.0 0.0 10.92247111 0.0 0.0 0.0 10.92247111" Properties=species:S:1:pos:R:3:forces:R:3 energy=-541.14000014 stress="-0.06379166665717957 0.0010178868476970351 0.0037548339502021526 0.0010178868476970351 -0.06343806237744848 0.00014383337455325823 0.0037548339502021526 0.00014383337455325823 -0.050583916952634644" free_energy=-541.14000014 pbc="T T T" config_type=wetmd 
Cl       0.02892893       5.42374002       5.99076001       0.05936582       0.31729410      -0.55944916
Cl       7.31391996       6.31453002       7.18427995       0.91343859      -0.73020601      -0.03914619
Cl       8.97748003       0.63062886       3.73822000      -0.24211342       0.84167762       0.24048413
Cl       6.48333998       7.29481000       2.01194004      -1.22344970      -0.21783893       0.09944806
Cl      10.21450002       7.94096996       8.06066004       0.08311331       0.32287132      -0.41401051
Cl       7.22702001       2.48404004       9.56681998      -0.02828304      -0.53908223      -0.01345930
Cl       5.48727997       3.57951999       3.15722001       0.41229945       0.23329906       0.30470522
Cl       5.76138004       0.32382888       0.55582894      -0.71618416       0.14142310      -0.85745892
Cl       4.66840997       0.09952894       3.82043005       0.56241111      -0.43600071      -0.44192168
Cl      10.61610006       5.18121999       9.89637999      -0.43449143      -0.66936110       0.06246384
Cl       2.64157004       5.45633999       8.06560005      -0.34621804      -0.70440242       0.21061333
Cl       7.82456001       9.28458005      10.09660002      -1.10466383       0.20271541       0.83051334
Cl       1.49347000       2.40190000       7.07638996      -0.22921785      -0.40822683      -0.10360033
Cl       2.08779005       5.87488996       2.74957995      -0.32864053       0.09906640       0.16693758
Cl       4.54260003       6.67268997       5.77049997      -0.05790188      -0.04875114      -0.96812560
Cl       8.42538996       8.47843997       4.70100000       0.19563981       0.10392208       0.21679899
Cl       5.48511000       7.99605996       8.58448002      -1.20667216       1.33542790       1.05250548
Cl       9.06116997       4.66889995       2.78328004       0.34415918      -0.66301303      -0.19587208
Cl      10.28140004       1.99479995       0.48612893       0.19101905      -0.55748492      -0.40033759
Cl       1.28911002       9.26420003       4.42095996      -0.35961438       0.18275829      -0.92576860
Cl       2.34305999       7.10095001      10.73330003       1.02491609       0.40007470       0.34387558
Cl       2.45276005       3.23626003      10.63959997       0.21625213      -0.00050239      -1.18334327
Cl      10.64069997       8.10958998       0.48882886      -0.27246994       0.64910656       0.56356957
Cl       4.03451999       1.09348998       8.46952002       0.18386038       0.19781507       0.38668963
Cl       5.90533995       5.01643998       9.96597000      -0.25001274       0.71099249      -0.21421016
Cl      10.75049997       0.09502888       9.01605000       0.29794170       0.61511727      -0.59428655
Cl       7.37077000       0.00772885       7.23645998       0.18406685       0.12279817       0.63659240
Cl       1.61548995       1.78949998       3.68278005       0.37817146       0.03238853      -0.32043344
Cl       9.35401005       3.53963003       7.50302005      -0.74342161      -2.02222498       0.27928775
Cl       5.23982003       3.61763996       6.86360002      -0.22210001       0.27600813      -0.81578557
Cl       2.33636998      10.61439997       0.36442890       0.70028967      -0.89810026       0.14957605
Cl       2.62664000       9.37681999       8.01827004      -0.48782720       0.08050287       0.39590384
K        1.90391997       7.40336997       6.20944995      -0.38159908      -0.22486026      -0.63491472
K        5.69780000       9.24178996       5.79017997       0.16598398      -0.49874405       0.04598449
K        2.83227999       0.17732894       5.85985005      -0.09122447       0.67466682      -0.23594049
K        3.63561998       1.95817003       1.77210999       0.47997565      -0.79991148       0.42000433
K        7.34495004       9.87940996       2.32567000       0.06924264      -0.24541778      -0.04413745
K        7.19882999       5.96958997       4.39645999      -0.63995803      -0.52585104       0.14558656
K        6.65765005       1.76307995       5.17075997       0.08140073       0.32312117      -0.40794731
K       10.09770003      10.38520000       6.30650004      -0.02091812      -0.13413015      -0.63788130
K        4.15905003       5.14494002       1.18627998       0.49982310       0.33860248      -0.21992316
K        2.93967999       4.31806996       4.83547998       0.17289224      -0.50162369       0.55809255
K        7.88672001       2.67014999       1.35827001      -1.55998195      -0.28488065       0.80850013
K        3.78723000       8.38609004       2.23926998      -0.43694715       0.41639566       0.23749179
K       10.48690000       6.89340002       3.19003996       0.24804266       1.02866233       0.63522463
K        0.12282887      10.68970003       2.07670003       0.15954343      -0.34011850       0.40192134
K       10.38269995       2.78611005       4.88504997      -0.57965699       0.73671529       0.00718982
K        8.33405997       6.32481003       0.35922893       0.00981520      -0.21548072      -0.57144251
Li       4.76308005       6.00863999       8.05171005       1.08796696      -0.54839331      -0.53799992
Li       6.04152001       0.66112888       9.06156995       1.37154714      -0.19413403       0.26010727
Li       3.02316000       7.46451997       8.81930998       1.41695275       0.06946040       0.02359631
Li       9.78870998       9.51313997      10.03689998       0.04490802      -0.42747748       0.09750480
Li       0.52552891       3.70064003       0.46522889      -0.10179189       0.94668175       0.57108072
Li       2.98053997       3.17385996       8.41937998       0.46731871       0.12195942      -0.06892263
Li       0.65532893       7.00161003       9.37665004      -0.18265737      -0.88966563       0.55083993
Li       9.31442996       5.63062004       7.77748001       0.84333856       0.82491641      -0.28711025
Li       1.16721000       9.16133995       9.73201995       0.45778516       0.53347083       0.67936665
Li       7.24574004       4.19855005       7.82351997      -0.07141666      -0.09124581       0.20044126
Li       1.78868003       0.89865800       9.66272998       0.20202206       0.87959033      -0.42788484
Li       7.94819004       8.04914000       8.33586000      -0.42173910       0.47153679      -0.28761433
Li       0.72514701       4.12454998       8.11903999      -0.74009113       0.53549981      -0.24858941
Li       4.59058998       9.89969998       9.71125000      -0.44292078      -0.32757426       0.44791015
Li       9.12866997       1.74961997       9.34083001       1.12127208      -0.24258732      -0.39469930
Li       5.40895995       3.19189001       8.86028006      -0.72259103      -0.37924741       1.02140906
64
Lattice="12.2683262 0.0 0.0 0.0 12.2683262 0.0 0.0 0.0 12.2683262" Properties=species:S:1:pos:R:3:forces:R:3 energy=-546.8201118 stress="-0.008114426269376257 0.0008241460853053037 -0.0015034247465159367 0.0008241460853053037 -0.009067874478623774 0.001459397334628739 -0.0015034247465159367 0.001459397334628739 -0.0001973917643624625" free_energy=-546.8201118 pbc="T T T" config_type=wetmd 
Cl      11.26929996       3.70953000       4.73349995       0.16452891      -0.23490778      -0.28261189
Cl       8.98755997       8.60873995       7.58882001      -0.19169692       0.02540330       0.04407877
Cl       9.21484004       0.55234299       6.64247997       0.22290813      -0.23391224      -0.84698926
Cl       5.09823999       3.67855002       2.35933997      -0.28244833      -0.13830052       0.38291453
Cl       0.26151201       8.13870995       7.35790999       0.34670265       0.25924746       0.07714641
Cl      10.84239999       5.03197005       8.28535006       0.00987523       0.13016226       0.40243423
Cl       3.77800995      11.21889996       3.65057001       1.04501054      -0.15021257      -0.07584122
Cl       7.56522998       0.22273698       2.09494000       0.58351001      -0.40178347      -0.15656096
Cl       2.60135994       7.26073000       3.63575000       0.06263286       0.11428980       0.02621459
Cl       2.27780995       5.74322994       9.97412000      -0.09926176       0.63229173      -0.54882330
Cl       1.85055003       2.76978995       7.89136000      -0.42191171       0.19048122      -0.39586836
Cl       7.52310006       6.33059998       9.99859997       0.04108218      -0.14718751       0.19271913
Cl      11.57619999      11.48949997       9.29792004      -0.93625519       0.26305693      -0.00089985
Cl      11.12079997       9.07784001       3.61143001       0.07067639       0.32258094      -0.22489768
Cl       5.04958994       7.01873003       7.99766995      -0.61913715       0.85158865      -0.26906260
Cl       7.94301002       7.00528996       3.43344996       0.54414076       0.47962911      -0.21014647
Cl       2.92446999       1.06114004      10.65389998       0.09597266       1.04130559       0.79637537
Cl       8.11794997       3.92393004       7.12484001      -0.67641942       0.03752863      -0.39360932
Cl       9.26403995       4.73131999      12.25350005       0.51185948      -0.47745993       0.16635668
Cl       0.56117103       0.38486402       2.44701998       0.06862343      -0.32451390       0.53090591
Cl       4.47044999       8.22348997      11.90879996       1.26819126      -0.21730532       1.65986522
Cl      11.51160001       2.35252001      10.28879999       0.49852623       0.32065415       0.84960953
Cl      11.46889998       7.78901002      10.90560003       0.19245301      -0.12534212      -0.42719524
Cl       8.31496997       1.50916999       9.61753006       0.26868087       0.08854476       1.16434082
Cl       5.17638003       4.00605004       9.29068001      -0.22328162      -0.92893456       0.53344300
Cl       8.78476994      10.07249996      10.94180006      -1.08787025      -1.32205314       0.54893881
Cl       5.89937003      10.58730002       9.21249998      -0.29896494      -0.43086098       0.02404660
Cl       1.50145002       4.38100002       0.57842704      -0.55289683      -1.69110195       0.62183521
Cl       4.32823997       4.36326003       6.01558004       0.28981470      -0.49478823       0.14611661
Cl       5.50535998       0.79079594       7.13649001      -0.11051806       0.71619534      -0.01265158
Cl       2.25988003      10.03019999      10.62290001      -0.24224282      -0.70126024       0.33733613
Cl       2.12591004      11.39970000       7.68120995      -0.02835959      -0.30190005      -0.59922200
K        3.91626000       9.17302002       6.33578004      -0.35320135       0.40025330       0.03329096
K        5.45057000       6.39045997       4.33487995      -0.44522946      -0.26591902      -0.13368465
K        2.33276996       0.59405996       5.31656994       0.18946245       0.91755105       0.15347638
K        1.86545997       9.97098998       2.16347994      -0.73143365      -0.48571389      -0.41438340
K        5.66176997      10.81250000       0.96319206      -0.39003194      -0.48953483      -0.59073283
K        7.57280003       2.21790997       3.95596006      -0.22974458       0.72748331       0.93221132
K        8.39254996      10.20979995       4.50749003       0.03683176      -0.06097347       0.12787161
K       11.74809997      11.26459996       5.85747002      -0.25384407      -0.38841164       0.36704509
K        2.77890998       1.88350999       1.27396005       0.66826245      -0.22211012      -0.20936146
K        2.14990001       4.31746997       4.29514002      -0.45940814       0.24442183      -0.27603693
K        6.30383000       4.35754998      12.09369995       0.08823291       0.25189691      -0.18111238
K        2.04062002       6.87755006       0.64114800       0.21982775       1.55653657      -0.04866004
K        9.50162002       0.07914076      11.94869999       0.64807342       1.16215542       0.26739181
K       10.38950001       6.62170994       5.20849998       0.01856415       0.05402412       0.54220522
K       11.55849998       2.74088994       1.73334997      -0.78885635       0.72392664      -0.28868550
K        9.68577998       7.62737004       0.99427398      -0.23151319       0.07815195       0.12388902
Li       6.79792997       2.44584995       8.54378996      -0.50585014       0.31586222      -0.92840660
Li      10.10910005       9.56506002       9.40491997       0.57449849       0.16407990      -0.57662402
Li       3.48836005       5.00697002       7.96361001      -0.25410547       0.33238367       0.42131297
Li       0.63045002       9.88297002       9.04050995       0.75419782      -0.60734912      -0.21855717
Li       9.68000995       3.65791997      10.07770001      -0.12076827       0.09700978      -0.07871095
Li       0.99674004       4.05220999      10.68180000      -0.30712981      -0.57456681      -0.31793191
Li       9.64959995       6.88456999       9.81685000       0.09390901      -0.30279273      -0.44532266
Li       6.42485999       5.29427999       8.04469997       0.78528400       0.02818311      -0.14121066
Li       0.94827500       1.06803999       9.47601001      -0.09881848      -0.20496140      -0.29951452
Li      10.26150002       3.05242998       6.74621996      -0.16919103      -0.02541914       0.21529243
Li       3.49069005       7.88926003      10.17830004      -0.58270659       0.06168662      -1.22068589
Li       6.77840002       8.26730004       9.20840997       0.01940876       0.71274080      -0.14479268
Li       0.12941698       6.46928004       8.93839000       0.31507357       0.39792802       0.05720567
Li       3.40485998      11.64690002       9.52284005       0.78615605      -0.91101440      -0.40767880
Li       7.59900996      12.04170004       8.33722999      -0.22907436      -0.22628895      -0.19066014
Li       4.01114998       2.49951995       8.01223994       0.43919955      -0.61235505      -0.18873710
64
Lattice="11.24079405 0.0 0.0 0.0 11.24079405 0.0 0.0 0.0 11.24079405" Properties=species:S:1:pos:R:3:forces:R:3 energy=-543.5339144 stress="-0.04439969375191622 0.0002770103334664762 -0.0029452269985339188 0.0002770103334664762 -0.04939851258750811 -0.0039365810411406054 -0.0029452269985339188 -0.0039365810411406054 -0.027571352032301485" free_energy=-543.5339144 pbc="T T T" config_type=wetmd 
Cl       9.16142003       0.61499902       7.04591001       0.65723664       0.12790256      -0.44241919
Cl       7.46373999       0.30747596       9.87214003      -0.55305779      -0.31195205       0.34731439
Cl       5.25003995       0.90988900       7.21606000      -0.42328911      -0.26204191      -0.74297681
Cl       5.67384003       3.44067003       3.54120005       0.25468106       0.12038116      -0.15152841
Cl       1.54712995       6.06755997       8.03287005      -0.84648084       0.20698088      -0.43047897
Cl      10.35370003       3.71252999       7.92334998       0.54631079       0.09327723      -0.23267615
Cl       7.47093995       8.35645002       2.99546995      -0.36975867       0.01062944      -0.26391262
Cl      10.54890002       6.16755999      10.59200003      -0.96394766      -1.10335294      -1.56222492
Cl      10.47279996       5.17477002       3.26647999      -0.28186195       0.23376998      -0.28315777
Cl       3.21697003       6.71740995      10.82669995       0.24700813      -1.31471737       0.83155361
Cl       1.69974003       1.17771002       7.29551005      -0.21835932      -1.24056579      -0.31980126
Cl       7.13654004       9.14756002       7.43767001       0.18522346      -0.29180113      -1.04787517
Cl      11.06200000       0.80304098      10.03240003      -0.39392440       0.80998777       1.66796223
Cl       3.05594003       6.35969000       3.51711002       0.51960664       0.57034089      -0.28351475
Cl       4.78725994       6.18149003       7.68900000      -0.33787776      -1.74529276      -0.36453536
Cl       8.70110997       1.59437995       2.78324005      -0.26962295      -0.73998570      -0.53365065
Cl       3.90612996       0.66858096      10.28810000      -0.11545857      -0.53999587      -0.28829860
Cl       7.23877000       3.47827004       7.41766005      -0.24458341      -0.11208507      -0.53696714
Cl       7.35447003       6.46479997       9.98134997      -0.64512912      -0.41610387      -0.30978212
Cl       0.49280597       9.54359995       2.97560005      -0.50440446      -0.18031198      -0.11748013
Cl       5.66680003       9.08257002      10.45710005      -0.03747288       0.11343892       0.18825016
Cl       2.09093000       3.61785001      10.33180005      -0.10017229      -1.12035408       1.08250664
Cl       8.64382002       6.40067000       6.86830996       0.16775499      -0.46714229      -1.06808856
Cl       7.91016004       3.06464996      10.75670004       1.40983206       1.22591845       1.08435387
Cl       5.14784000       3.48758000      10.03299996      -0.77731105      -0.24175793       0.72921698
Cl       9.73935995       9.15168000       9.67156998       0.76347829      -0.44001743      -0.66315302
Cl       4.25704001      10.54450004       3.00086003       0.32465633       0.17326582       0.08406203
Cl       1.84210997       2.46941001       2.74570996       0.35767873      -0.21403463       0.51839505
Cl       3.22044995       3.80001000       7.00065997       0.48119104      -0.62039280      -0.56860085
Cl       4.07710997       9.04579003       7.52634998       0.10198947      -0.62419746      -1.02229158
Cl       1.99499005       9.18223000       9.79854004      -1.07393457       0.97855234       0.02365245
Cl       0.26780596       8.83751003       6.58951995       0.26582983       0.52204923       0.36612132
K        2.80861997       8.92761995       4.99024002      -0.32288930       0.04584818      -0.11225623
K        5.78701999       5.85804000       5.15580006       0.06367807       0.17681436      -0.04570028
K        3.71576003       1.78700996       4.96372996      -0.14822579      -0.12330041      -0.11183846
K        1.98392000      10.99819995       1.02044996       0.27257747       0.21924159      -0.38048247
K        5.71363997       1.46509003       1.27547997       0.35671996      -0.15081597      -0.30680565
K        8.96572995      10.16149999       0.74666098      -0.18281124       0.65164095       1.29565811
K        7.42621002      10.69530001       4.81860996      -0.51529563       0.37515640       0.41120554
K       10.92140004       0.79400597       4.25610994       0.66795470       0.01701542       0.96772924
K        3.89569996       4.47668996       1.52381002      -0.44882212      -0.34020125      -0.63183930
K        1.34978005       5.14057002       5.29391996      -0.53536348      -0.44689995       0.45323539
K        4.78529000       7.90211005       1.46890998       0.11378467       0.35085382       0.99371628
K        0.57946698       7.02754997       1.33045004       1.67329139       0.65531769       1.37046148
K       11.02119997       2.66210004       0.94811197      -0.81244515       0.83576675      -0.35251909
K        9.73316998       7.98402003       4.63610004       0.21933270      -0.37736878       0.25367255
K        8.37463999       3.70270002       4.62062001       0.15369993       0.03297989       0.84803770
K        8.22302000       6.10720996       1.35873997       0.26900647      -0.82911224      -0.06646571
Li       6.19153997       4.76108002       8.82727001       0.33510731       0.83041444      -0.36186831
Li       7.55400998       9.44729996       9.43950997       0.38399457      -0.06668400       0.37389867
Li       3.41546997       2.16971999       8.64141000      -0.16264616       0.25739434       0.03592138
Li       0.50020601       7.89594999       8.73201001      -0.40526132      -0.04386028       0.03693985
Li       0.11890591      10.60359997       8.62570998       0.31486877      -1.37798111      -1.14314414
Li      10.94549996       1.72096995       8.09755003       0.35925976      -0.15530886      -0.83395820
Li       0.59510596       4.56356005       9.35046996      -0.83813427       0.77933003      -0.40351104
Li       6.29578001       1.90341996       8.79085995       0.10364504       0.50880955       0.39489752
Li       3.20138006      10.72649996       8.15621000      -1.20008547       1.38478211       0.83722677
Li       8.83495006       1.83972995       9.23901996       0.50501847       0.12482856      -0.47633171
Li       3.03578000       7.30471997       8.78378005       0.45920536       0.98408086      -0.13238157
Li       8.86650004       7.39664999       8.73852000       0.24524599       0.19734995      -0.15461215
Li       3.60869000       4.74732005       9.13908997      -0.64464960       0.48174804      -0.24195455
Li       5.64823002       7.66841001       8.55265999       1.40954744       1.92979584       1.12628066
Li       8.64732996       4.84247000       8.56818005      -0.06659861       0.02314247       0.36355152
Li       5.55019995      10.51450004       8.63841995       0.25145941      -0.15117001       0.30326149
64
Lattice="10.20557173 0.0 0.0 0.0 10.20557173 0.0 0.0 0.0 10.20557173" Properties=species:S:1:pos:R:3:forces:R:3 energy=-530.82975015 stress="-0.12280126542587982 -0.0009361613822894701 -0.00028918802957482274 -0.0009361613822894701 -0.11881745052236878 0.005390952849934384 -0.00028918802957482274 0.005390952849934384 -0.1305062289547048" free_energy=-530.82975015 pbc="T T T" config_type=wetmd 
Cl       0.35202824       1.87383002       6.62336002      -0.29008329       1.05916468      -0.10360346
Cl       7.36975002       2.24825000       8.24441998       0.10094724      -1.02286899      -0.29453507
Cl       4.86805996       2.18073004       6.19234995      -0.01272859       0.01522953       0.72055724
Cl       5.04387002       2.30052998       3.25063003       0.15281089      -0.44701163       0.44482338
Cl       2.96300997       7.35910000       8.91227004      -0.65167059      -0.11601203      -0.80786200
Cl       0.01612827       4.81375999       8.35072999      -0.01590362      -1.87359351      -0.19065031
Cl       5.36558995       7.40574997       3.42162999      -0.92134961      -0.54946766      -0.01746322
Cl      10.12060004       6.99463995       0.35052822       1.00358074      -0.12054346       0.17371452
Cl       7.53495996       4.77430005       3.43056997       0.72783416      -0.64959675      -0.45358941
Cl       5.03165997       7.12278999       0.35662830       0.75326350      -1.05879760       1.77776207
Cl       2.59946995       1.94801004       8.68594995       0.72364402      -0.18991810      -0.13902007
Cl       7.79548004       9.81898998       6.47542996       0.32646779      -0.34902119      -1.35581680
Cl      10.06030001       2.11054999       0.34722825       0.38328694      -0.96171365       0.93317609
Cl       2.58494997       4.87078995       3.31177998       0.22502566      -0.67769725       0.43419914
Cl       5.49716998       7.14998998       6.51302004      -1.18902255       0.11209911       0.52532566
Cl       7.83476996       9.50653997       3.33979999      -0.55181688       0.88035707      -0.54705483
Cl       5.12324998       1.81361001       0.39832826       0.63528445       0.26310295      -1.17286815
Cl       7.82975004       4.54386997       6.68517997      -0.77131008       1.31337485      -0.94281395
Cl       7.76461002       7.27227998       8.54429999      -1.35057899      -1.18349558       0.14871076
Cl       0.02342822       7.16989003       3.44113999       0.10208504       0.11665167       0.06233593
Cl       7.51989001       9.64334995       0.18452827       0.13959562      -0.23458796       2.24491937
Cl       2.45652000       4.74060002       0.27462826       0.39922282      -1.34750046       0.90900541
Cl       0.32082827       7.12263996       6.63380002      -0.46837100       0.95393183      -1.04474938
Cl       7.74524995       4.36126005       0.29622825      -0.56135549       0.64897835       0.95596123
Cl       5.15814997       4.32819001       8.60890003      -1.07050953       0.01142196       0.28955249
Cl       9.98379996       9.60792998       8.82506996       0.16880928      -0.57587385      -0.12041892
Cl       2.48024999       9.59651995       3.47174997       0.29491987       0.90631885      -0.88080907
Cl      10.06660001       2.31065003       3.62680995       0.11545804      -0.16250862      -0.76723887
Cl       2.65950004       4.80937996       6.40475004      -0.03610206      -0.66355758       0.66655201
Cl       5.28798995       9.73550003       8.06990001       0.79733300       0.80147288      -0.98485820
Cl       2.45120004       9.78450995       0.17632830       0.00391920      -0.64031405       1.36549494
Cl       2.61152998       9.66620002       6.61271000      -0.30078881       0.09178179      -0.34456702
K        2.68270996       7.34455002       4.97671001       0.29815261      -0.79307777       0.04118053
K        5.31629000       4.77953999       5.02437003      -0.77927312      -0.44905817      -0.06793760
K        2.50265000       2.00368000       4.65563997       0.32738489       0.63406604       0.39858397
K        2.60937997       1.96184002       1.42643001      -0.51282190       0.81524789       1.03376831
K        7.66499997       2.00047004       1.98191999      -0.21700861      -0.05141969       0.00749443
K        0.09432826       9.53688001       1.50151005      -0.62514075       0.38586082       0.75094756
K        5.18340998       9.85666997       5.05740995       0.09994149      -0.22268825       0.01403063
K        2.56146001       7.23126001       1.77810003       0.06564309       0.26878953      -0.14459981
K        5.04052004       4.59465004       1.56847003       0.26290812       0.02124671       0.07810472
K        0.05222824       4.77491003       5.19966001       0.05148012      -0.39341683      -0.25662284
K        5.13240999       9.79080995       1.96964003      -0.25765348      -0.44398950      -0.04945597
K        0.04712831       4.59921999       1.93250002      -0.24792186       0.11589914       0.00321987
K       10.14690000       9.92499995       4.70579004       0.42292002      -0.81249937       0.72974328
K        7.71493001       7.14432997       4.93114999       0.97071029       0.12749086       0.54935580
K        7.67876004       2.18468000       5.25401999      -0.51349915       0.02627369      -0.49394169
K        7.68068001       7.05566998       1.55274998      -0.41775199      -0.06129143       0.56707245
Li       6.32590996       5.87890000       8.08103000      -0.64313061       0.11323613      -0.96520810
Li       9.00302003       0.95782822       7.61091003      -0.61511601      -0.10388419       0.26496621
Li       2.96420004       3.96547001       8.58656003       0.37775184       0.82360119      -0.89473964
Li       1.47935998       8.26833000       7.90382004      -0.12676521       0.85773154      -0.37438461
Li       1.25892830       0.44402830       7.93444002       0.69996941       0.48215994      -0.34971376
Li       0.69122827       2.69446005       8.76903004       0.33885353       0.77221713      -0.84883606
Li       1.42655002       5.92995001       9.26690998      -0.03248518       1.06454261       0.01285129
Li       4.75155999       2.10361000       8.38931001       0.72615027       0.12882089      -0.38168486
Li       3.44434004       9.95260000       8.65424002      -0.73070992      -0.03707104      -0.23594292
Li       8.89561996       3.15705004       9.25004997      -0.42690476       0.63888747      -0.03751091
Li       5.86326996       8.23481000       9.26165003       0.85669921       0.28977567      -0.50596581
Li       9.71437001       7.30634995       8.53843995       0.96165088       0.05810172       0.00019501
Li       3.89142002       6.07865998       7.59054002       0.55731518      -0.32763961      -0.23147229
Li       7.88312998       9.20726995       8.42615998       0.18333665       1.10427596      -0.53297846
Li       8.13464997       5.22370995       8.66003995       0.81842962      -0.44745522       0.07674294
Li       6.48987002       0.70372826       9.27604999      -0.73501182       1.06546055       0.35856683
64
Lattice="10.6031283 0.0 0.0 0.0 10.6031283 0.0 0.0 0.0 10.6031283" Properties=species:S:1:pos:R:3:forces:R:3 energy=-532.77624022 stress="-0.10460427647253807 -0.008435821116433059 -0.007586380416617799 -0.008435821116433059 -0.10727593312663572 -0.007909567200944642 -0.007586380416617799 -0.007909567200944642 -0.07046963522262877" free_energy=-532.77624022 pbc="T T T" config_type=wetmd 
Cl      10.24279996       1.46265002       6.82888996       0.04195029       0.23663343      -2.21365715
Cl       7.62159998       1.80070001       8.29759999       0.20820910       0.91368401       0.85284928
Cl       4.26265002       2.38013002       6.62015996       0.68728470      -1.71497247      -0.56637567
Cl       6.30509998       0.96497173       3.46297004       0.42984100       0.19020365      -0.39467552
Cl       2.53264997       7.37531995       8.59105005      -2.61918559       0.10898705       0.39689258
Cl       9.97450996       4.67181001       8.52300998       0.68188760      -0.23120942       0.23773202
Cl       5.21692998       8.10112996       3.33366001      -0.55817439      -0.07724446       0.50684072
Cl       9.56179995       7.27282004      10.44309995       0.98901672      -0.40641958       0.55838923
Cl       7.35114005       5.03208002       3.26034998       0.30456761      -0.11753438       1.09468026
Cl       4.67261001       6.97750998      10.55350004       0.67896736       0.42820248      -0.09986538
Cl       1.77892999       2.75121003       8.18767004      -0.98842710       0.03882831       0.07881959
Cl       7.94534000      10.13790004       6.64930001      -0.67127143      -1.06747816      -1.69718612
Cl      10.38959996       1.74458996      10.42990001      -0.98637789       0.33597881       0.35721550
Cl       3.79574996       3.21505999       3.22458998       0.39007225      -0.71051408       0.67774143
Cl       4.86537997       7.02586004       6.69443000       0.59714933      -0.15265333      -0.78979654
Cl       9.16587002       8.76987997       3.10440999      -0.09536399      -2.11625638       0.30861476
Cl       4.42434996       1.77960997      10.30660005       0.73840988       0.17624335       0.77556335
Cl       7.49519002       5.06567996       6.94405998       0.48158226       0.18867425      -1.99333768
Cl       7.05841005       7.79607997       8.44212996      -0.33794578       1.40951456       0.07193976
Cl       1.39123996       6.21429002       3.04500999      -0.19697808       0.20403789      -0.39643571
Cl       8.14169997       9.95564997      10.53160002      -1.07578572       0.42028329      -0.90546801
Cl       2.36935003       4.72110003      10.48670001       0.41578518       0.02167315       0.61474101
Cl       9.91959000       7.12251996       6.72339997      -0.20240109      -0.37663984      -1.94506571
Cl       7.44859998       5.07252004      10.39459997       0.51599718      -0.19344070       0.55568522
Cl       5.31747998       4.12535001       8.71101999      -0.54075728       0.52826064      -0.00630340
Cl       0.18627173       9.29150998       8.26385998       0.03111350       1.02915195       0.17664693
Cl       2.18962000       9.86066004       3.53794996       0.50992803       0.73233407      -0.43418672
Cl      10.45239995       2.40961997       3.24700998      -0.64488843       1.01543434       0.48443012
Cl       2.49881995       5.10034996       6.56998002      -0.39891071       0.19612135      -0.65247151
Cl       4.70185005      10.03950004       8.37129003       1.12422959       0.36532941       0.07030314
Cl       2.11807995      10.57750001      10.11449999       0.76469828      -1.16035183       0.88336900
Cl       2.29776004       0.12467169       6.50664001      -0.22022000      -0.96768787      -0.22267109
K        2.64846996       7.59439999       5.23180999      -0.68071598       0.41066608      -0.18284318
K        5.26323002       4.45695002       5.50481000      -0.04007260       0.78071342      -1.24252508
K        4.87733998      10.24359997       5.44634001       0.19033343      -0.12690632      -0.34068708
K        2.04991997       1.72620996       1.79576998       0.31863193      -0.13297459      -0.80746493
K        6.39336997       3.20300996       1.51827000      -0.65335155      -1.16511075      -0.37392256
K        8.90012996       0.52097167       2.19542002      -0.70025265       1.13401896      -0.65513803
K        7.39025997       7.56357001       5.23940002       0.10910424       0.04856963       0.01473751
K        1.00657999       8.68369000       1.39431996      -0.52148988      -0.68525396      -0.60869888
K        3.92349995       5.60174995       2.23491996       0.52795235       0.97741418      -0.35110939
K        1.70840996       2.84317001       5.20131995       0.60095731      -0.47438096       0.30503009
K        4.21784004       9.80387997       1.13230001       1.05226742      -0.17584414       0.47734749
K       10.36159996       4.65663004       0.93419795      -0.48094620      -0.24741387       0.27014778
K       10.43050004       9.96218998       5.15893002       0.37170529      -0.58485760       0.29966219
K        9.98697998       5.17282001       4.47543000      -0.41164652       0.07426492       0.81132909
K        8.18165001       2.44005996       5.22144999      -0.80918216       0.06981769      -0.04121324
K        7.18505000       7.22283997       1.60198000       0.30310471       0.88125339      -0.78403206
Li       5.99173004       6.10089996       8.59883995       0.16191019      -0.61404225       0.36103037
Li       9.26026002       0.23667168       8.26677998      -0.27158021       0.09153060       0.68534568
Li       1.52051998       5.10422000       8.56884996      -0.44354081      -0.45257901      -0.45718538
Li       2.64290999       9.41390995       8.25391001      -0.92630440       0.46361462      -0.07391708
Li       0.98816395       0.75927167       8.63718002      -0.71281000       0.11604504      -0.50990854
Li      10.08929996       2.54390000       8.41896997      -0.14440081       1.49468941       1.69676540
Li       0.14087168       7.10685002       8.62564996       0.88287560       0.06411178       0.38654000
Li       3.45727998       3.31394000       9.10303005       0.33618246       0.31673716       1.22407570
Li       3.22509999       1.18919004       8.19691003       0.44718573      -0.40455965       0.17004776
Li       7.69914999       3.88383004       8.58179998       0.01648285      -0.24318601       0.92526068
Li       4.53742999       7.94478004       8.53445998       0.98779189       0.45134993       0.80880952
Li       8.85025995       8.66518001       8.89020999       0.31523362       0.08899206       0.39291680
Li       3.70958004       5.69592005       8.38705996       0.56946867      -0.68755323      -0.05947301
Li       6.89048004      10.32689995       8.48975995      -0.29171007      -0.70687324       0.89214495
Li       8.43322004       6.21164995       8.68426999       0.41967107      -0.14063961       0.03162090
Li       5.55852004       1.91835996       8.27700998      -0.57685730       0.13121285       0.35034883
64
Lattice="10.11330404 0.0 0.0 0.0 10.11330404 0.0 0.0 0.0 10.11330404" Properties=species:S:1:pos:R:3:forces:R:3 energy=-529.8955122 stress="-0.12991420846352672 0.0003484655516451286 0.003975243538892613 0.0003484655516451286 -0.12657407468518717 -0.0019584382890528323 0.003975243538892613 -0.0019584382890528323 -0.14586863421668525" free_energy=-529.8955122 pbc="T T T" config_type=wetmd 
Cl       9.92264004       2.36203002       6.49668002      -1.27935007       0.63774125      -0.39264561
Cl       7.44948999       2.37510996       8.78776997       0.81663393      -0.70776658       0.23600588
Cl       4.83982996       2.44439004       6.33179999      -0.27166703      -0.55235564       0.86932041
Cl       6.98427002      10.05040000       3.32829999       1.10810056       0.41840620       0.33846369
Cl       2.31770998       7.51376995       8.53140004      -0.42268949      -0.09283394      -0.40642810
Cl       9.58340999       5.02421997       8.47017996       0.06245785       0.02156254       0.25026260
Cl       4.58570003       7.50079003       3.41590001       0.05016075       0.21947770      -0.10168240
Cl       9.86585000       7.35632998       0.41089596      -1.01745384       0.59446622      -0.30008748
Cl       7.11468997       4.92944000       3.42123003       0.87877620       0.53868891       0.06141035
Cl       4.74786999       7.61381005       0.20069599      -0.42331242      -0.66328192       1.47008629
Cl       1.85342002       2.70564995       8.27804003       1.55765910       0.04828781       0.87428563
Cl       7.52238002       0.04259592       6.26343001      -1.18245041       0.34914524       1.12056830
Cl      10.11040000       2.35269999       0.58129593      -0.87066865       0.27437257      -0.59325419
Cl       4.82948001       2.68210001       3.31216998       0.37469063      -0.67007569       1.16923185
Cl       4.78214003       7.52326999       6.47874003      -0.62008331      -0.13883363      -0.45937044
Cl       9.79284003       7.57108002       3.42936001      -0.02954909      -0.32476353      -0.33962829
Cl       4.48752998       2.56789998       0.48329599       1.21491166      -0.35025674      -1.28439470
Cl       7.20044998       5.32680001       6.40302001       0.83859542      -0.32878281      -0.27521664
Cl       7.07766001       7.90066997       8.30380003       0.30603355       0.71661014      -0.47792920
Cl       2.31034001       4.85729999       3.46260002      -0.77647270       1.09652638      -0.34800719
Cl       7.46688002       9.95742000       0.50279596      -1.03612499       1.06841050      -0.33222541
Cl       2.49159004       5.06319998       0.37489593      -0.94198737       0.10419840      -0.43532512
Cl       9.79221999       7.46451998       6.30742997      -0.51050767       0.03684181       1.22424407
Cl       7.28917997       5.26583004       0.35749599       0.05651074      -0.82159048      -0.61573345
Cl       5.15703000       4.64073996       8.21236999       0.08085694       0.29219173       0.50065177
Cl       0.01789600       9.69156005       8.37520997      -1.15527213       0.05003390      -0.66519997
Cl       2.36543001       0.03489596       3.30298002      -0.32505847      -0.79946368       0.95512709
Cl       9.69528002       2.41523995       3.51511001       0.00961007       0.09049820      -0.23043681
Cl       2.27477000       4.84104002       6.45069999      -0.03381748       1.47255054       0.82578289
Cl       4.72629002       0.13649593       8.66951005       0.83154623       0.39731589      -0.11873906
Cl       2.33923999      10.08200003       0.35609601      -0.93947341       0.65402433       1.02086939
Cl       2.18133996       0.13729599       6.42291004       1.01492830      -0.66664537       0.47961072
K        2.10966000       7.61339995       5.16568001       0.86174588      -0.19231842      -0.33013015
K        4.67351000       5.05237005       5.08411996       0.32308494      -0.16830996      -0.39818641
K        4.79018001      10.02769998       4.98174005      -0.44642688       0.14566152       0.20181492
K        2.43573001       2.43674003       2.09756004      -1.37558070       0.29756058      -0.54103345
K        7.21934002       2.58966997       1.79071997       0.27481110      -0.34491327      -0.42621537
K        9.81132998      10.02540001       1.86028999       0.51616704      -0.19556478       0.57722286
K        7.23911001       7.71180999       4.93662005      -0.12437533      -0.38795337      -0.04351151
K        2.10099998       7.61915999       1.79834004       0.67845413      -0.33630356       0.11148748
K        4.78057996       5.15771002       1.80785999       0.11519357      -0.14013008       0.19143434
K        2.14152004       2.48841001       4.99701002       0.49128134      -0.07799928      -0.26787206
K        4.84464996       9.95607999       1.61838997      -0.39378763       0.56608929       0.28165762
K        9.85500004       4.86366995       1.68827998       0.14205714       0.22449615       0.53820766
K        9.87435003      10.02510005       5.06796001       0.55921046      -0.03894962      -0.97227432
K        9.79930001       4.98480003       5.09798004       0.03826345      -0.40743673      -0.44203061
K        7.29148004       2.67416997       5.08441001       0.12965509      -0.29679226      -0.06230989
K        7.21211002       7.39012996       2.01909000       0.11741781       0.75897304      -0.09681603
Li       5.99058996       6.41903998       9.22200005       0.20956228      -1.26244159       0.31308832
Li       8.74856999       1.13109599       7.63416004       0.07494385      -0.62922690      -0.32007178
Li       1.50998001       5.16150999       8.54057998       0.61877009       0.12823099      -0.11979202
Li       2.63456000       9.72615999       8.55955001      -0.49323074      -1.35546826      -1.38963973
Li       0.86939595       1.13169996       9.23949000       1.02840849       0.30712797       1.20179748
Li       9.73645998       2.97711996       8.58617996       0.09528435       0.00211744       0.31092788
Li       0.10909595       7.52858999       8.44829001       1.19975213      -0.21110795      -0.21105301
Li       3.55226002       3.79468997       9.13141003      -0.92711153      -0.40577806       0.63973583
Li       3.45958999       1.42927999       7.65703997      -0.44495634       0.63430190      -1.04560134
Li       7.36187005       4.38340998       8.31619004       0.09326600       0.53083235       0.27765131
Li       4.94207000       8.21098002       8.38970000      -0.52478867       0.46372298      -0.41628175
Li       8.51099998       8.85289004       9.39397001       1.22478250      -0.93873895       0.56771054
Li       3.69422997       6.03247997       7.83291003      -0.55145995       0.55426943      -0.69211624
Li       6.85637000       0.10819597       8.39211000      -0.16591587      -0.09905567       0.08360820
Li       8.43717003       6.53550004       7.73100999      -0.26336106      -0.36582973      -1.10714836
Li       5.40295997       2.29851999       8.66000000      -0.44665036       0.27623460      -0.43387728
64
Lattice="10.02459513 0.0 0.0 0.0 10.02459513 0.0 0.0 0.0 10.02459513" Properties=species:S:1:pos:R:3:forces:R:3 energy=-525.06307446 stress="-0.1541055172411114 -0.005615873146062575 0.0010313849974760536 -0.005615873146062575 -0.15423312148732612 0.0008265589715937515 0.0010313849974760536 0.0008265589715937515 -0.16603606121600448" free_energy=-525.06307446 pbc="T T T" config_type=wetmd 
Cl       9.69524999       2.36628002       6.69031003       0.84735791       0.00373954      -2.28361354
Cl       7.32667003       2.43623996       8.30780001      -0.14549595      -0.08107364       0.51059564
Cl       4.50919000       2.50670996       6.63786997       1.03032659       0.36096554      -2.24896225
Cl       7.40309002       0.14700487       3.31551996      -0.51522494      -0.08439069       0.46019619
Cl       2.48627001       7.47127000       8.77836002      -1.28443622      -1.28538436       0.35625252
Cl       9.74476998       5.16016004       8.33488997      -0.37849269      -1.11960998       0.29424985
Cl       4.94859998       7.73430996       3.56079002      -0.58650593      -0.76588538      -1.12675471
Cl       9.64192997       7.24284998       0.28010483       0.51496059       0.79619788       1.52113756
Cl       7.41729999       5.09992004       3.41834002      -0.90078416      -0.18289122      -0.40437211
Cl       4.72432002       7.44634996       0.34270492       0.69703821      -0.08050251       2.47159990
Cl       1.93955004       2.85695999       8.41864005      -1.14385295      -0.49656120       0.32909236
Cl       7.33784996       0.15030487       6.41825004      -0.26690459      -0.62503863      -0.53636284
Cl       9.62765003       2.01052999       0.28020488       1.15558961       1.37049826       0.24816284
Cl       4.68202004       2.41091002       3.49672003       0.52196737       0.56004840      -0.00480298
Cl       4.59007004       7.53696999       6.52394997       0.96998283       0.15700291      -0.97568459
Cl       9.69409004       7.59996996       3.38395005       0.29623920      -0.51249945       0.51878213
Cl       4.67081003       2.53026004       0.40200491       0.09029464       0.52705950       0.58464701
Cl       7.31992999       5.23719996       6.33833998      -0.33305205      -1.05750810       0.64959007
Cl       7.01541998       7.90678002       8.30064997       0.10538564      -0.12943275      -0.94712749
Cl       2.05502005       5.07472002       3.42519995       1.18965959       0.01170111       0.76993203
Cl       7.47010996       0.07240484       0.29220492      -0.79498558      -0.15251261       0.58385995
Cl       2.21911004       5.15148997       0.55770492       0.46067328      -1.05748227      -0.68130428
Cl       9.97117005       7.40288001       6.46719001      -0.10169459       0.21950312      -1.68906396
Cl       7.40081995       5.19778997       0.26630487      -1.00445622      -0.20170334       0.77220742
Cl       4.94684999       4.82488996       8.37760999       0.56233215       0.26957346      -0.65098599
Cl       0.07330485       9.52066004       8.36396000       0.21784259      -1.08638502      -1.10892287
Cl       2.14465998       0.07460484       3.56299002       0.62847975      -0.10677260      -0.86126318
Cl       9.88736003       2.46762998       3.49227001      -0.46990893      -0.02411125      -0.42350755
Cl       2.29593002       4.96483000       6.57048003       0.21276786       0.60731005      -2.16966704
Cl       4.82121004       0.12150491       8.67570997      -2.72240067       0.76368732       0.23115074
Cl       2.27304998       9.95670005       0.45360491      -0.26591316       0.95812342       0.12913353
Cl       2.41830997       0.08240488       6.58288998      -0.02496500      -0.07766829      -0.36565096
K        2.32621001       7.71486004       5.01126002      -0.35833493      -0.74410648      -0.31041549
K        4.85247003       4.98628996       5.01333000      -0.48964557       0.00065812       0.22847937
K        4.91985997       0.03430487       5.05451996      -0.36353708       0.29719279       0.21293749
K        2.32368000       2.61063002       1.88587004      -0.91544963      -0.47250831      -0.09345090
K        7.32293005       2.56717000       1.57277998      -0.46547441       0.37628424       0.66178570
K        9.71788001       9.83968004       1.81272999       1.11673249       0.08006351       0.52800757
K        7.23373000       7.63379997       5.11672999       0.45221810       0.56606250      -0.31401360
K        2.31620005       7.48059999       1.91314997      -0.22609548       0.77826654       0.19103731
K        4.86629996       5.02871003       2.06394003      -0.18906379       0.14194723      -0.53852820
K        2.24018996       2.45566001       5.11776001      -0.54427662       0.61767138      -0.22802059
K        4.76020997       0.10070488       1.74342004       0.33470926      -0.62657773       0.19974680
K        9.63675998       4.99713998       1.79550002       0.90471923      -0.82386641       0.08781052
K        9.91948996       9.95539004       5.23564996      -0.37245284       0.08020556      -0.61065412
K        9.79988000       4.98407001       4.91406004       0.09232732      -0.16592133       0.81051931
K        7.31592005       2.52756001       4.93558996      -0.15399665       0.46981236       0.21683526
K        7.34017005       7.67728997       1.75422004      -0.77848602      -0.26838537       0.52070846
Li       5.98633996       6.39498005       9.15439000       0.42413397      -0.64409558       0.64006784
Li       8.75852997       0.83880489       7.76461000      -0.60865499       0.91339041       0.09920532
Li       1.76066997       5.23435999       8.48707005      -0.30414534      -0.13000944       0.98284706
Li       2.27023999       9.33811005       8.46291999       0.21449163       1.05782189       0.07667831
Li       0.97070490       1.07520489       8.91997998       0.93469024       1.77910605       1.31027320
Li       9.48052005       3.11510996       8.52351005       0.17641475       0.32945642       0.92145124
Li       0.41010488       7.32325996       8.45413003       0.62952534      -0.10034596      -0.15121480
Li       3.42723004       3.81761002       9.23063998       0.42930462       0.50071966       1.59229486
Li       3.33087002       1.48110005       7.91315004      -0.00635362      -0.92673579       0.17263868
Li       7.38903003       4.45263996       8.39103001      -0.21115750       0.57760988      -0.76432579
Li       4.64667001       8.17674998       8.47599998       0.03409429      -0.11721331      -0.31535681
Li       8.60525000       8.68593004       9.28111001      -0.86938623      -0.22410284       0.98698779
Li       3.51747004       6.24653003       7.65837997       0.86444425      -1.04888842      -0.87892336
Li       6.66345996       0.28960484       8.45055004       1.84506196      -0.08279499      -0.75091998
Li       8.44195997       6.52990999       7.55072995      -0.59315630       0.16596194      -0.09804470
Li       5.29853995       2.46764000       8.45249000       0.43497537       0.16532430       0.66101285
64
Lattice="10.54221853 0.0 0.0 0.0 10.54221853 0.0 0.0 0.0 10.54221853" Properties=species:S:1:pos:R:3:forces:R:3 energy=-535.5802821 stress="-0.09607463424546808 -0.005175753797892394 -0.00986274265574404 -0.005175753797892394 -0.09311887916920476 -0.0011161365150285933 -0.00986274265574404 -0.0011161365150285933 -0.07960501429381486" free_energy=-535.5802821 pbc="T T T" config_type=wetmd 
Cl       0.78078148       1.58412004       6.71924997      -1.04484665       0.58373806      -0.96115029
Cl       8.52984996       1.65586004       8.26530005       0.74718010       0.69971652      -0.90203843
Cl       5.83043995       1.57254995       6.64396999       0.36888340       0.25782324      -0.58379277
Cl       5.15557003       0.94878143       2.79553997      -1.04460241       0.48431130       0.37659400
Cl       3.29733998       7.01912000       7.88182000       0.23521953       0.07645295       0.26260372
Cl      10.53520005       3.82198002       9.33345998       0.44572972      -0.44842457      -1.16506211
Cl       2.34210998       9.46460002       3.68548000      -0.65666806       0.22262822      -0.44847867
Cl      10.35620003       6.85530995       0.25588147       0.48207196      -1.06102946      -1.38633096
Cl       5.97948004       7.65292999       3.10039995      -0.77620352      -0.07578601      -0.15617848
Cl       4.95553997       6.33585004       0.06718145       0.92277683       0.73833588      -0.04970755
Cl       2.67374002       1.23320996       9.32343001      -0.54410201      -0.49564933       0.02652467
Cl       8.72137002       9.49834998       6.95623999      -1.22554502      -0.08295759      -0.31270938
Cl      10.07829998       1.26806000       0.45408150       0.44148042      -0.92790483       0.27122057
Cl       3.35440996       4.83735000       3.93058005       0.40854339      -0.06565207      -0.08433047
Cl       6.08597996       7.00545001       6.22951005      -0.02135348       0.28621668      -0.21829341
Cl       8.58968000      10.29870003       3.57998002       0.02467526      -1.05372231      -0.39971593
Cl       5.48405997       1.45872003      10.03010001       0.38537726       0.18946436       0.94231434
Cl       8.85022999       4.76983995       5.99425000      -0.72591788      -1.05320822       1.31877577
Cl       7.88413001       6.42684003       8.80722996       0.48016872       0.01868050      -0.48181633
Cl       0.38138152       6.51994996       3.37823000      -0.05303403      -0.31088905      -0.88615025
Cl       7.90706998       9.07959999      10.44269999       0.81500087       0.46102529       0.49948031
Cl       3.00248003       4.20691005      10.37770004      -0.74429271      -0.82969135      -0.21703879
Cl       0.48338149       6.83905996       7.06574001      -0.64279758      -0.90333363       0.28496191
Cl       7.75845000       3.62342998      10.40179997      -0.85704634       0.95681071       0.22158221
Cl       5.77653000       4.31557997       8.23757001       0.51719119       1.18867089       0.32597861
Cl       0.58358148       9.36462004       8.59014998       1.11294854       1.37182100       0.36592207
Cl       0.80738603       2.67996995       3.24079995       0.26549884      -0.36558635      -0.07526931
Cl       7.59311997       4.13282998       3.15237003       0.16288819      -0.30212129       0.33254911
Cl       3.16418996       3.56784002       6.90936001      -0.22284628       0.21989920      -0.16412144
Cl       5.53093995       9.33035003       8.67985002      -0.36491910      -1.21838084      -0.35160288
Cl       2.55896004       8.85509996       0.42898143      -0.02153045       0.06176558      -1.24114121
Cl       3.57285000       9.87811000       6.44986002       0.26745691      -0.23955648      -0.00022158
K        3.49556004       7.48963998       5.01320000       0.18934828      -1.11619112      -0.05443007
K        5.71606995       4.24131004       5.59876005       0.28088874       0.03944513      -1.43435498
K        3.02772000       1.56046003       4.80688004       0.16663882       0.51517288      -0.47964473
K        2.15202998       0.80148144       1.73513004       0.56903888       0.83943646      -0.80905758
K        5.11066998       3.92343000       2.03421995      -0.26549707      -0.25468957      -1.11093046
K        7.49989999       1.55155997       1.59975004       0.53193084      -0.58639954      -0.03198808
K        5.99477005       9.87872999       4.92984005       0.56278558      -0.52517812      -0.13828313
K        0.07478144       9.07327002       1.64232004      -0.76366266       0.98434522       0.72401547
K        2.59827998       6.37080002       1.50742002      -0.24938000      -0.21668119       0.91385681
K        0.89596302       4.56285003       5.21773001       0.57153477      -0.17490061       0.95372047
K        5.17081998       9.22814997       0.92416999       0.61163634       0.23275388       0.45794625
K        9.89922996       4.14264995       1.41916004       0.80703924       0.31391424       0.68348931
K       10.44569999       8.56666002       5.00116996       0.44270262       1.37968135       0.34370519
K        8.24135003       6.68287995       4.26121997      -0.16603299       0.69229332       0.04660469
K        9.11842002       2.09051002       4.78545003      -0.39810204       0.32205075       0.90984116
K        7.55695004       6.32586002       1.12364995       0.12337462       0.13279112      -0.08287981
Li       8.37652004       4.21831999       8.13398997      -0.10120038      -0.22496592       0.14438722
Li       0.13138145       1.34337003       8.86150995       0.60235602       0.60895569       0.10754417
Li       4.16211995       3.00688003       8.99241004       0.34346685      -0.69933689       0.38020446
Li       5.63999003       6.91202002       8.48438000      -0.65097955      -0.47951221       0.45744694
Li       2.18409003       0.32618151       7.43428005      -1.26657059       0.27670470       0.45916504
Li       9.18435000      10.36419999       9.21418005      -0.18315704      -0.32770694       0.69911210
Li       1.38893002       7.32220003       9.05470000       0.57806274      -0.01875648       0.58146109
Li       4.65308003       0.69358152       8.20647995      -0.80655402      -0.22014916      -0.29344760
Li       3.05028003       9.14328005       8.52548000       0.37018929      -0.41780983       0.89852926
Li      10.08499998       5.70754003       8.78361002      -0.16493889       0.56659697      -0.30444122
Li       3.84244004       5.04582005       8.35417000      -0.68999701       0.74524450       0.55040955
Li       9.52817001       7.91206995       8.72153996      -0.58544274       0.28969058      -0.02653752
Li       1.85870002       3.20669998       8.56722002      -0.26641447      -0.01076730       0.04045268
Li       6.98189005       0.28648152       8.07620997       0.10011239      -0.57381002      -0.21447796
Li       7.14459001       8.25311999       7.62294001       0.39184144      -0.18556782      -0.06792081
Li       6.70055999       2.58269995       8.69725997       0.17759637      -0.29012104       0.55314509
64
Lattice="11.26773893 0.0 0.0 0.0 11.26773893 0.0 0.0 0.0 11.26773893" Properties=species:S:1:pos:R:3:forces:R:3 energy=-546.9696026 stress="-0.030389425452787135 -0.00458272169539824 -0.001348518154584721 -0.00458272169539824 -0.03427593713268594 0.0006609980986186164 -0.001348518154584721 0.0006609980986186164 -0.032405605983737" free_energy=-546.9696026 pbc="T T T" config_type=wetmd 
Cl       0.33166105       1.09744002       6.61754003       0.04754531       0.04594910       0.22015513
Cl       8.27446003       1.34620004       8.52179005      -0.33670471       0.16281945       0.27911469
Cl       5.02498001       1.27980004       6.45555997       1.02254666      -0.43359778      -0.07186116
Cl       4.01774995      11.26080003       3.46457000      -0.36658689      -0.40148627      -0.60841089
Cl       2.92306004       7.05515997       8.69772002      -0.48953342       0.34940048      -0.04173477
Cl       0.01726105       3.58723004       9.38766001      -0.59300206      -0.36923830      -0.81680488
Cl       1.50070001       7.91350004       3.02499995      -1.28505998       1.00677753       0.60628329
Cl      11.08769996       6.62853002      10.46200005       0.05676765       0.42215757       0.63953947
Cl       7.07992004       8.72485003       2.87626997      -0.18424457      -0.50786235       0.40236222
Cl       5.43173998       6.70294003      11.17790001      -0.16816901       0.01589882      -0.30933789
Cl       2.82686003       1.24001997       9.35811003      -0.39618671      -0.57142083      -1.59386322
Cl       8.60002005      10.11490005       6.35971005      -0.01150497       0.08433226      -0.30575059
Cl      10.78389997       0.86057300       0.16066106       0.52263056      -0.25435222       0.09781531
Cl       4.26657002       5.52736004       2.90843001      -0.11645941      -0.50811914       0.26503395
Cl       5.47419005       6.33319999       6.29883001       0.04742520       1.23611767      -0.42669002
Cl       9.44734004       0.29106102       3.45335004       0.44354181      -0.85194391      -0.44199009
Cl       5.52882000       1.26630005      10.83510001       0.54155257      -1.26270656      -0.47627283
Cl       8.34695001       4.09924996       6.13887995       0.11306557      -0.18980191       0.46379804
Cl       8.51721997       6.65374001       8.59156000      -0.91522464       0.77672800      -0.12764032
Cl       9.86220005       5.89028996       3.43423004       0.54946840      -0.60845290      -0.88092011
Cl       8.47274001       9.62069004      11.12430005      -0.45539640       0.29475079      -0.86459844
Cl       2.95624996       4.22400997      10.95310005       0.34804112       0.24977376       0.33161231
Cl      11.06479997       6.90146001       6.82321999      -0.03047122       0.20623609      -1.39680553
Cl       8.50605995       3.75730000      10.98959998      -0.23642461       1.10055352       0.82373075
Cl       5.78937001       3.89936004       8.71215997      -0.10336418      -0.15936292       1.03754976
Cl      11.25929996       9.72712003       9.00323000       0.67562566       0.99840490      -0.60121689
Cl       1.14453005       3.06300998       3.08566997       0.36122267      -0.44707033       0.19742556
Cl       6.71003003       2.88430004       3.01507995      -0.01734585      -0.36823468       0.06744492
Cl       2.66813004       3.85932002       6.72788004      -0.17831452      -0.04113407       0.31424981
Cl       5.44810997       9.45100995       8.18806002       0.55073417       0.11307302       0.84629940
Cl       3.23105997       9.47196997      11.12150002      -0.66469929       0.73315186      -0.67171326
Cl       2.49965999       9.19715996       6.26048995      -0.63585327       1.17748374       0.60032175
K        2.78667995       6.61805001       5.36947997      -0.17562320      -1.05246495      -0.08139079
K        7.18632997       5.44962999       3.81280995      -0.94304437       1.03034365       0.27488501
K        3.85525000       2.77208000       4.18324002       0.08109321       0.53870532      -0.16178358
K        2.37357997       1.00041995       0.70317305       0.36125532       0.44157133       1.26413293
K        5.76082004       3.82503004       0.50569297      -0.59810682       0.64039393       0.20770966
K        6.71337001       0.26856104       1.97985001       0.17938885      -0.78243195       0.00188242
K        5.16815004       9.34202995       5.40882004       0.63434895       0.13283515      -0.67162374
K        0.05146112       9.14967004       0.62752303       0.30702127       0.33813357       0.52728007
K        1.16361996       5.58073002       1.63296997       0.14227462      -0.74611100      -0.43022450
K       11.09319996       4.21849002       5.60208002       0.62879379      -0.51632132      -0.09295744
K        3.98740999       8.18854002       2.11087004       1.47351280       0.27909116       0.22432094
K        9.70155995       2.87000004       2.44466002      -0.14440353       0.44014242      -0.51573708
K        0.87541700      10.68709995       4.19598000       0.52328098       0.43840077       0.02210953
K        9.76859996       8.42196003       4.42851999       0.02491208       0.32155627      -0.23590531
K        7.71277000       1.39080000       5.25372998      -0.33155809       0.15910467       0.64222476
K        8.10773005       6.87035001       0.40400703       0.61733768      -0.44420096       0.57961123
Li       8.61432005       4.49815000       8.86391996      -0.07569752      -0.81285948      -0.15248385
Li       9.13821999       1.84553000      10.53319999       0.05528861      -0.45349756      -0.44572892
Li       3.06099001       1.50168999       7.10127004      -1.06435370       0.32569820       0.25038458
Li       6.45451005       4.69848003       6.98505998       0.41524515      -0.13345939      -0.60682365
Li       0.60936112       0.79198300       8.98071999       0.06288165       0.46344496       0.26910506
Li       9.76078995       0.20586103       7.60341998       0.71867368      -0.51275299      -0.31005306
Li       1.10892996       8.23462001       7.78189003       0.09728779      -0.24512273      -0.19409784
Li       2.78656998       9.42268003       8.72034001       0.47360111       0.59065209       0.11416498
Li       4.61428005       8.26244005       9.94636995       0.00115398      -0.25866475      -0.18985148
Li      11.19750001       5.63046999       8.46375004       0.25511087      -0.43880916       0.94645017
Li       4.48120997       5.65809003       9.33330996      -0.09399107      -0.54687451       0.21960502
Li       9.83191000       8.26442002       9.55243999      -0.58686677      -0.43789556       0.13033027
Li       2.19958005       3.43408998       9.12950000       0.09582656       0.02638045      -0.56682813
Li       6.51238003      10.56050003       9.86411996       0.30378953       0.27862780       0.40082089
Li       7.80133004       8.62838996       7.49757996      -0.92433199      -1.18111265       0.78696499
Li       6.08948995       1.69833998       8.45403995      -0.60972308       0.11867282       0.23638135
64
Lattice="12.39715552 0.0 0.0 0.0 12.39715552 0.0 0.0 0.0 12.39715552" Properties=species:S:1:pos:R:3:forces:R:3 energy=-546.84440019 stress="-0.006164513270121487 0.0030823806912961293 0.000710388364942992 0.0030823806912961293 -0.0054456586662982726 -0.00034611930594961784 0.000710388364942992 -0.00034611930594961784 -0.0012804866413389621" free_energy=-546.84440019 pbc="T T T" config_type=wetmd 
Cl      10.83689998      11.13150004       6.13294003       0.15851325       0.18132955      -0.58461284
Cl       8.28259998      12.13889996       8.59507995       0.92643669      -0.68267376      -0.17229420
Cl       5.45957997       0.79498805       7.39070001      -0.48543624      -0.38533399      -0.99392809
Cl       2.85585995       0.44685497       3.55334003       0.06587549       0.14305233       0.13614087
Cl       2.51943003       6.80885006       8.27156998      -0.15238015      -0.01750107      -0.29726720
Cl      11.57520006       2.46475002       8.77704999       0.53457022       0.51934532      -0.45954877
Cl       0.32205603       9.92381997       1.63023004      -0.54023862       0.61301419       0.16580546
Cl      11.53459999       6.63984001      11.01879997      -0.50304009      -0.13044922      -0.34341890
Cl       7.23794003      10.33569997       2.41793997       0.31836380      -0.02023283       0.02623957
Cl       5.82491001       6.92249999      10.02980003      -0.19419948      -0.68335049       1.21165455
Cl       2.59860000       1.31292001      11.42249995       0.06640467      -0.95376206       0.52013892
Cl       8.63144998       8.03117004       6.58100001      -0.08163721       0.06721009      -0.25951849
Cl      11.44000003      11.71069998      10.07369997      -0.21447524       0.54237456       0.67835080
Cl       2.98825004       8.13146997       3.84638003       0.20109894       0.11844182      -0.06034567
Cl       5.37510005       5.70676996       6.59201004       0.53306565      -0.58032027      -0.10286071
Cl      10.13210000       2.33908997       2.48385999      -0.17244954      -0.50449639       0.37294321
Cl       6.02727994      11.94159997      10.88149999      -0.33579923      -0.12943637       0.27365412
Cl       8.58273003       2.83444002       7.29991998      -0.55941337       0.05775305      -0.80063062
Cl       8.53576006       5.69945997       9.19037995      -0.30582322      -0.08681275       0.46777685
Cl      10.19130001       6.29531995       2.13149006       0.00834177       0.42184080       0.66281831
Cl       8.85736000       8.95570998      10.16619998      -0.12055034      -0.02095903      -0.21877212
Cl       1.66460996       4.13048998      10.48679997       0.63527538       0.25783040       1.06807707
Cl      11.27669998       5.69211999       7.37242995       0.10961259      -0.29448697      -0.14795192
Cl       9.00832004       2.40820994      10.93009994      -1.17394423       0.54765866       1.47611242
Cl       5.71440995       2.99961996       9.51954005      -0.57449435       1.80532492       0.43925945
Cl      12.21250001       8.92212001       8.30464001      -0.25549744      -0.17304310       0.05357718
Cl       0.86271495       4.27378994       1.86365001       0.01175867      -0.28401408       0.54328599
Cl       5.83188998       3.79034997       2.18786005       0.55236450       0.32338592       0.65677816
Cl       2.15988004       3.42511005       7.28132003       0.44685829      -0.10658236      -0.50370645
Cl       5.15671002       9.54746006       8.16580005       0.06587232       0.54384824       0.01823388
Cl       2.22883996       8.73323001      10.86299996       0.39741183       0.97636147       1.05780087
Cl       1.84564004      12.06770000       8.29249997       0.66874997       0.07901931       0.35938394
K        0.83188397       6.78911998       5.71743994       0.82371530       0.47260373      -0.06128370
K       10.15770000       4.68014998       4.66292996      -0.14788314      -0.23487906      -0.10776977
K        4.59123002       2.74747000       5.16289001      -0.09220414       0.18943091       0.23711206
K        0.36010997       0.73089501       1.94492998      -0.16670667       0.12018974      -0.28001354
K        3.33416998       2.98040003       1.40602005      -0.41843299      -0.08650838      -0.44023219
K        7.01614004       1.38475000       1.00273996       0.37457969      -0.20097004      -0.33914962
K        6.12369001       7.07549998       3.99136997      -0.21201207       0.18682474       0.13867547
K        9.92672996      10.49419996      12.32404627       0.07451186       0.15147411       0.18400351
K        0.62706895       7.05116994       0.98354495       0.44307127       0.16337328       0.35830038
K        0.55255597       0.70192298       5.92984003       0.00715772       0.59821569       0.25110545
K        3.43132995      10.30459997       1.64976002       0.00555060      -0.13098755      -0.06336383
K       10.93310005       4.00723994       0.10900596       0.18549587      -0.02715711      -0.15274293
K        3.44556995      11.05660002       6.09721998       0.35390312      -0.52368570      -0.32136472
K       10.05050006       9.43733997       3.85584005      -0.16304137      -0.30533275      -0.00881246
K        8.54354002       0.39138403       5.73046005      -0.52339682      -0.05807909      -0.14611403
K        8.59617995       6.65838999      12.25179999      -0.59234290       0.03040308      -0.81057437
Li       9.79504998       4.29909997       8.26190999       0.91256985      -0.41319694       0.27858719
Li       9.85289994       1.39020995       9.44261000       0.41232801      -1.40204729      -1.02703088
Li       3.62469000       2.62995997       9.84576004      -0.86203785       0.01662730       0.00593740
Li       6.89662006       4.36871000       7.96436995      -0.08263788       0.11430393       0.19852641
Li       0.70200505       1.44779995      10.15340005       0.03832044      -0.07523602      -0.42242533
Li      10.33690001      10.41310000       8.23564997       0.07416657      -0.04088430       0.32111311
Li       1.12897003       7.08717004      10.00209995      -0.30158628       0.03598399      -0.36862268
Li       0.98668502      10.63640004       9.87575000       0.02792804      -0.70907341      -0.36067904
Li       4.46356002      11.79860002       8.96690994       0.16985959       0.00073539       0.22173480
Li       0.59017998       4.69408004       8.80673002      -0.36865384      -0.19165661      -1.13859137
Li       4.26902001       8.30625003       9.91837006      -0.72632373       0.23199130      -0.48357032
Li      10.14540004       7.42897003       8.79853004       0.39924325       0.03820680      -0.18319241
Li       3.78579996       5.03315005       8.10743995      -0.05973133      -0.08047581      -0.02904118
Li       7.09049000      10.22570001       9.46599004      -0.22750870       0.49218438      -0.01160404
Li       7.15380004       7.36128999       8.41772005       0.22563813       0.31490619      -0.73178567
Li       7.13798003       1.51593000       9.34536002       0.38526510      -0.82162039       0.04969265
64
Lattice="12.46241918 0.0 0.0 0.0 12.46241918 0.0 0.0 0.0 12.46241918" Properties=species:S:1:pos:R:3:forces:R:3 energy=-547.03129939 stress="-0.0056114963814106866 -0.0007078724001313302 0.002229556063685635 -0.0007078724001313302 0.002090405799535182 0.001795612002229511 0.002229556063685635 0.001795612002229511 0.00016217418643286698" free_energy=-547.03129939 pbc="T T T" config_type=wetmd 
Cl       1.44153999       7.88589994      11.06280003      -0.14224942       0.18904953      -0.69584949
Cl       8.79095996       8.37816002       7.73225003       0.53195083       0.16040196      -0.49752490
Cl       4.13869999       8.44689001       4.32515997      -0.30859000       0.10319561      -0.38475334
Cl       9.69720004       0.75390296       0.29237795       0.33713162      -0.02952524      -0.00465086
Cl       2.20550996       3.38912000       9.33565005      -0.48580065       0.91551314       0.36032616
Cl       0.34350403      11.92980006       6.56177002      -0.11471290      -0.42220158       0.14306393
Cl       0.97960298       0.96989600       3.33663004       0.06402510       0.76888798       0.23804350
Cl      11.77629994       4.80081001       6.43967994       1.01394335      -0.20728170       0.47001100
Cl      10.89779996      10.87370001       9.67185995       0.14421135      -0.83341875      -0.44610284
Cl       2.51453995       4.75924996       4.09368000      -0.09531332      -0.23064776       0.06991914
Cl       1.71856997      11.48010002      10.78629995      -1.19417613      -0.93637736       0.18675567
Cl       7.19868003       6.92034997       3.90926000      -0.02349413       0.23684856       0.20421389
Cl       6.92613004      11.39380001       8.69183001       0.17932685       0.58027985       0.26904500
Cl       6.38403001       1.57398996       2.85405999      -0.20192584      -0.08229419       0.15140138
Cl       3.92766999       0.93512498       8.11502999       0.22528116      -0.99196299      -0.12874139
Cl       9.94401999       8.78761006       2.97340996       0.32934536       0.03109895      -0.10946190
Cl       4.26686002       6.16105003      12.41344673       0.14413921      -0.16613989      -0.50149826
Cl      10.89190001       3.92372999       2.93410997      -0.04888956      -0.11227232       0.83862522
Cl      10.39530002       1.81279994       8.30702004      -0.05035397       0.20364144      -0.00311575
Cl       1.00472995      10.13859998       2.14274000      -0.72101184      -0.26517354       0.41840635
Cl      10.54830002       6.19762998       9.43536997      -0.40688303      -0.44749161       0.52057969
Cl       3.87743996       1.54714005      12.02350000       0.22882569       0.24099133      -0.89651906
Cl       7.99394002       5.43176995       0.58045200       0.40905718       0.50281937      -0.11470277
Cl       7.33723995       9.62685005       0.88734506      -0.10118676       0.30721587      -0.35257784
Cl       6.46312001       3.38983996      10.00950004      -0.13474866       0.06183106      -0.14761803
Cl       1.08474006       7.97570002       7.30779000      -0.95792078       0.05026552       0.53994116
Cl       1.08384002       4.53163995       0.42967904      -0.19178395      -0.25296930       0.20092837
Cl       6.42701999       7.27860003       9.86998998       0.25318977       0.03674821       0.20659285
Cl       4.07817002       8.77631001       8.02395002      -0.00198552       0.59327577       0.16757287
Cl       8.62651996       4.40133999       6.32865001      -1.08415496       0.05623993       0.53297074
Cl       4.81630004      10.56210003      10.95839997      -0.61547006       0.04045131       0.56315558
Cl       8.90242994      11.46840005       5.54425998       0.52110630       0.64675440       0.11230215
K        7.68272001       4.24325994       3.06811999       0.29830794      -0.46032799       0.60435885
K        4.23489005       6.09614002       6.15554002       0.04962010       0.29331108      -0.01985219
K       12.33500914       8.61967996       4.66336996       0.35002583       0.50713139      -0.33436920
K       10.53490005       3.92924997       0.19270801       0.05188461      -0.06950515      -0.52832322
K        2.42519998       7.81664005       1.60258996       0.39908881      -0.77866436       0.00423217
K        6.54618004       0.33344798       0.14117404       0.55974395       0.01021512      -0.09184232
K       10.05599994       6.72258994       5.26411003      -0.81464024       0.01725332      -0.37855540
K        1.16579002       2.26850002       6.82288998      -0.00493117       0.12355114      -0.29205354
K       12.20970001       0.98766803      10.58750006      -0.43969010       0.57027268       0.10366694
K        4.14003995       3.60010003       1.69286997      -0.22761703       0.22616331       0.07569506
K        7.04266001       1.76366997       7.33307002       0.20596855       0.03478850       0.15378788
K       11.02350004      10.07250006       0.14047402      -0.09989284       0.11085970       0.47758701
K       10.38360005       0.70948503       3.41827994       0.05235259       0.09691274      -0.24402068
K        2.76030995      10.40999994       5.79794000      -0.14569150       0.28867085       0.08705010
K        2.58717006      12.17700000       1.18242997       0.00877723      -0.03382754       0.32136692
K        6.65363002      10.05789996       4.34368997       0.08274010      -0.45687076      -0.49616123
Li       6.65583998       5.50305000      11.35359998      -0.75615324      -0.04987144      -0.37800864
Li       8.29758001      10.53629995       7.36889997       0.30517753      -0.70978587       0.18143041
Li       1.21425002       9.77351005       9.27129998       0.15488032      -0.24250061       0.05461514
Li       2.23396005       5.21214997      11.15980002       0.27816672       0.12740099       0.05552876
Li       4.02711997       8.24020004      10.36729995       0.06719794      -0.32997683       0.04567936
Li       4.22266006       2.49915995       9.74831004       0.39631783       0.37109003       0.44243884
Li      12.36935033       6.04977995       8.29601996       0.84684414      -0.09409322      -0.71123073
Li       4.83165001      10.83460005       8.73324001       0.10484297      -0.29473050      -0.44487561
Li      10.14600004       4.12865005       7.95611994       0.29546340      -0.35303017      -0.22437753
Li       3.42583005      12.34281522      10.18430005       1.07137954       1.01671794       0.10362979
Li       6.73238004       9.53596998      11.12530006       0.49671573      -0.62572592      -0.15333834
Li      11.19459995       8.42621000       9.29143999      -0.49618743       0.30820797      -0.28980567
Li       0.68942701       3.40218996       3.51832002      -0.09936043       0.01756883      -0.42709217
Li       8.15055001       7.76699002       1.91579000      -0.12405656      -0.38040799       0.15712596
Li      10.73849996      12.20270000       7.39073002      -0.01892608      -0.12339220       0.07241548
Li       8.25016998       6.26767999       8.29144002      -0.34923150       0.13484140       0.16255957
64
Lattice="12.09119045 0.0 0.0 0.0 12.09119045 0.0 0.0 0.0 12.09119045" Properties=species:S:1:pos:R:3:forces:R:3 energy=-543.89344648 stress="-0.01369524546491248 0.0019339260102627508 -0.0011587277306998889 0.0019339260102627508 -0.011905767636576414 0.0012487117862205672 -0.0011587277306998889 0.0012487117862205672 -0.012140288927875985" free_energy=-543.89344648 pbc="T T T" config_type=wetmd 
Cl       1.87989996       6.70820999       5.43369998      -0.33162099       0.12754780       0.50047094
Cl       7.36368999       9.92545994       5.50750001      -0.20383270      -0.58308515       0.48450075
Cl       3.78767000      10.57639994       3.97837999      -0.86420447       0.04194539       0.16206367
Cl      10.98790003       1.00190953       2.18707001      -0.07085516      -1.24778064      -0.49804109
Cl       6.54421004       3.60733001       9.11351003       0.43137513      -0.01899954      -0.03868113
Cl       0.36944596       2.18966006       5.42931994      -0.05689853       0.09184084       0.41426539
Cl       4.19495002       2.11366995       3.26490000      -0.76354165      -0.10738333      -0.63295507
Cl      12.02100000       4.03440005       2.34387001      -0.03835420       0.48795475      -0.12436626
Cl      11.56279999      11.83399995      10.68060001       0.71359707      -0.21545509      -0.55739578
Cl       1.54074001      10.33449996       0.97443605       0.71879313      -0.31512577       0.10618121
Cl       2.13898999       9.44639997       8.46396995      -0.19267234      -0.35403571       0.70063947
Cl       4.87357002       7.30312002       3.60622996       0.08001692      -0.07992767       0.07968713
Cl       4.45887000       8.00201997       0.13700951      -0.65360408       0.21730329      -1.67638719
Cl       6.79692004       0.66716601       2.49993004       0.73845686      -0.31727253       0.04666094
Cl       5.05628000      11.52389997       8.00384997       0.14466784       0.00646777      -0.52820546
Cl       8.50160003       4.89552000       4.74310994      -0.08990877       0.25760408      -0.11996351
Cl      10.66170003       7.92493004       2.86022999       0.54835738      -0.25051204       0.36137969
Cl      10.02580002       6.62420995      10.86899998      -0.02728157      -0.32188903       0.50806362
Cl      10.21859998       2.46555999       8.94986000       0.43170099       0.45289704       0.07637269
Cl       2.34201003       2.02777002       0.26870954       0.24134395      -0.27857893      -0.74879288
Cl      10.66699996       5.98084001       7.29384995      -0.11328830      -0.12154711       0.00377183
Cl       6.28452005      11.76939998      11.57010004      -0.53179686       0.33113242      -1.18823657
Cl       3.27890003       5.01516995       1.55349997      -0.20497956       0.15531301      -0.63082289
Cl       8.22149998       9.86524001       1.48929998       0.26487782      -0.77265101      -0.99587874
Cl       8.68679003       3.14253002       0.05288977       0.03276935       0.78151205       0.00876083
Cl       3.78097003       2.87261003       6.34161006      -0.35959213      -0.06655129      -0.07304909
Cl       6.82981001       5.40397004       1.58971998       0.66231775      -0.08153732      -0.48145828
Cl       8.75726994       9.88151004       9.48803997       0.04418597      -0.22670710      -0.40735337
Cl       6.43379994       6.88768002       7.47185996       0.01849539      -0.57932097       0.25067657
Cl       8.13621006       1.34088001       5.75694997       0.80274154       0.34179839       1.69613156
Cl       1.31605994       5.35299999       9.95926994       0.19195724       0.22277934      -0.17768645
Cl       0.05800954      10.90580000       4.80903002       0.00213517       0.45546402       0.43428051
K        4.47454006       8.86650998       6.18061005      -0.36670766      -0.10019065       0.07955931
K        2.13647998       7.78198001       2.79364997       0.18687146       0.44755285      -0.50154477
K       11.04610001       9.41206002       0.39489502      -0.67847261      -0.02943170      -0.38128121
K        8.91047004       2.31427005       3.30014002       0.01839483       1.22778503      -0.20901681
K        5.36877004      10.27409999       1.59184996      -0.24787539       0.07831090       0.74073369
K        9.04778002       0.37610954      11.89189994      -0.37737846      -0.69496078       0.25748447
K        7.71430006       7.70675999       3.37899997       0.05679823      -0.07397643       0.50142096
K        5.40005999       4.38750005       4.11011000       0.62930216       0.51970699       0.31386312
K       11.56929997       2.58649994      12.07134542      -0.11493480       0.15304900      -0.79948401
K        5.76909001       2.39080995       0.52844499      -0.42859247       0.36272651      -0.02429179
K        5.56213998       0.40838999       5.09546996       0.01738557      -0.12510822       0.35703103
K        7.08215001       6.80811998      10.54650000      -0.37808339       0.36074056      -0.32098043
K        2.14584001       4.07658996       4.12984005       0.00880451      -0.03284859       0.10468647
K        2.38737001       0.28070956       6.85879997      -0.32652526      -0.40263257      -0.19796933
K        1.59950006       0.76650953       2.97716002       0.29316083      -0.48064766       0.20722403
K        9.14173002      11.16970003       3.67808996       0.59021399       0.52630293       0.64148010
Li       8.21715006       1.79430002       8.41711997      -0.79723095      -0.06915050      -0.47223008
Li       0.80211398       5.81216004       7.20535005       0.13074396       0.20385452      -0.11105464
Li      11.08409996       5.15154999       9.29945996      -0.34747443      -0.02396854       0.41544828
Li       8.66060003       5.45690998       0.32923405       0.55578103      -0.67304688      -0.08345170
Li       8.12238995       5.03235999       6.96077997       0.12329042       0.34152344       0.06475355
Li       4.79135996      11.35960003      10.06779998       0.14166863      -0.18804601       0.22868896
Li       4.81290997       3.77490001       7.81319003       0.50686524       0.43765045       0.72370586
Li       2.50911995       7.67788998      10.58970001       0.13182694       0.35249778      -0.27342406
Li       7.22679994       8.93326000       7.61963003       0.73650006       0.83560042      -0.03936742
Li       1.67376004      12.02900002      11.68469998      -0.46487123       0.02503510      -0.10161188
Li      10.89149999       5.73475998       2.72385998      -0.33777104       0.13198054       0.53452486
Li       2.34353001       4.21718004      11.66669995       0.13353387      -0.05331289       0.50959759
Li      10.80689999       2.20838000       6.80577998      -0.40470118      -0.06288162      -0.30217377
Li       4.97871997       6.44477004       1.41675997      -0.35850818      -0.18463336       0.77675755
Li      10.96639996      10.27879996       8.94182999      -0.09094736       0.11330229       0.19072241
Li      11.85520004       8.91507001       4.55954004      -0.10642549      -0.95598289       0.21556660
64
Lattice="12.59343552 0.0 0.0 0.0 12.59343552 0.0 0.0 0.0 12.59343552" Properties=species:S:1:pos:R:3:forces:R:3 energy=-547.02252598 stress="0.0005103523914808582 -0.0016078892405218652 0.0026421206907177963 -0.0016078892405218652 0.003440786195748738 0.0012082320044299575 0.0026421206907177963 0.0012082320044299575 0.004833327661549161" free_energy=-547.02252598 pbc="T T T" config_type=wetmd 
Cl       0.47236302       7.73171002       5.21112004      -0.39180019       0.22927842      -0.81923641
Cl       3.79747001       8.29343001       6.08137996       0.11123032       0.65686478      -0.00531426
Cl       7.69033000       0.17054106       7.77344000       0.21611771      -0.11984661      -0.41683488
Cl       2.08616997      10.15469998      12.55509997       0.34608698      -0.05236744      -0.17852363
Cl       1.55943001       4.52295000       7.80820997       0.26328751      -0.25729968       0.21556807
Cl       0.33036448       1.00207994       2.07858003      -0.55739130       0.02674717      -0.12477353
Cl       7.55034994       0.32217005       2.28793998      -0.05628218      -0.02263520       0.49135756
Cl       0.57105802       6.71945005      11.12600005      -0.05159180      -0.13279968      -0.21912119
Cl       9.43738004       3.16725999       6.50351003       0.20468168      -0.33936141      -0.09354526
Cl       5.49938995      10.01039999      11.51779997      -0.61420843      -0.82062123       0.13685057
Cl      10.77179998      10.99420005       4.73259002       0.18942996      -0.41816292       0.19697845
Cl       7.20124996       8.80537999       4.43332000      -0.16396237       0.46590996      -0.08310105
Cl       9.61942998      10.71499994      11.80169996      -0.30262210       0.88950423       0.51133956
Cl      11.86270004      10.32869995       8.42161997      -0.55755958      -0.03691948       0.06451011
Cl       2.60428003      11.84440001       7.60741004      -0.14366469      -0.04781136       0.34226029
Cl       5.40770005       2.74368999       5.05325000       0.29914584      -0.21623424      -0.17003199
Cl      10.44769999       6.35675004       8.14866998       0.40958541      -0.28298774       0.54472293
Cl      12.21569996       3.13227001      10.93479997      -1.08034152      -0.44971613      -0.39295323
Cl       9.46701995       6.25551997       4.39708000       0.04478296      -0.06423978      -0.55891424
Cl       4.02092994       0.87462304      11.09329994       0.11050709       0.06688581       0.06425273
Cl       7.95744999       9.19878002       8.48715004       0.09011941       0.45124746      -0.61871213
Cl       7.43162998       2.70301999      11.88079995       1.00180742      -0.55896228      -0.26549684
Cl       3.96893001       8.02355004       2.25782995       0.39477897       0.33969487       0.15695861
Cl       7.62586005       7.21696996      12.13870004       0.16185356      -0.81777962       0.39358473
Cl      10.11019994       3.59469996       1.36422005      -0.56880438       0.67900435       0.38822305
Cl       5.03467997       4.60512002      10.14879996       0.29895878       0.04336436       0.35956163
Cl       4.84392997       4.41518004       1.05553996      -0.09555051      -0.13579989       0.10236996
Cl      11.34119995       7.98738006       1.95252994      -0.73497244       0.08046151      -0.30158622
Cl       3.81998002      11.84999994       3.98157999       0.54892737      -0.22425255       0.14256863
Cl      12.27550001       1.09561000       6.61292998       0.11440104       0.30707064      -0.00984457
Cl       1.28520002       4.33488996       2.99604002      -0.27034190      -0.07414030       0.04940798
Cl       6.72383999       5.81649997       6.96012999       0.11885349       0.10452092      -0.38590104
K        2.78219996       1.91731001       6.18419995      -0.20523815       0.05912054       0.00016964
K        7.69793002       9.81032002       1.50731006       0.13537702       0.06514315      -0.08848595
K        2.27228004       3.71190996      10.49040004       0.71573368       0.19651182       0.20763913
K       10.13080003       1.03570000      12.54099998       0.02899972      -0.31758613      -0.17060140
K        3.11650001       0.23161998       1.30653997       0.07440870       0.21397093      -0.20498228
K        9.80353997       8.30998005      10.47390000       0.74213569      -0.34233713      -0.26067204
K        5.87446994       7.29930005       9.20439002      -0.32285282       0.29612377       0.25422841
K        3.90678002       5.60364005       4.12797994       0.07641147      -0.09479722       0.19588816
K        6.85182003      12.01620004      10.43670000       0.81174945       0.73441034      -0.35249653
K        7.26006999       3.50257003       2.43053003      -0.23609465      -0.32737490       0.24387942
K        6.74224001       3.09433997       8.38139994       0.31732849      -0.32309061      -0.56923830
K        1.37483002       6.91358995       1.43779001       0.01516398      -0.20485535      -0.11168024
K       12.24440002       4.64603005       5.82016000      -0.77589460       0.39379672      -0.61037009
K        0.94634706       7.80896999       7.97321005       0.03266599      -0.15507555       0.42422364
K        0.30837495      10.53319997       2.42182004      -0.02353695       0.12285319      -0.01249889
K       10.18660004       1.33182998       3.97456003       0.08418571      -0.09661228       0.32744127
Li       9.71370003      10.92569995       7.46612000      -0.34708422       0.00958696       0.23047431
Li       7.40461001       4.88740994      11.64479998      -0.58717403       0.62283625      -0.00694317
Li       8.11687999       7.94111996       6.53975003      -0.21844132      -0.37081280      -0.14213135
Li      11.70180001       5.31559002      10.09129997       0.08704801       0.14968814      -0.39004034
Li       8.31006997       4.84823000       5.73454000       0.05558052       0.25883819       0.20969776
Li       5.31985000       2.84650997      12.03379999      -0.91596812       0.21688615      -0.23508292
Li       3.44704003      10.86369995      10.74160004      -0.16450648       0.53568094       0.11455194
Li       9.48228004       6.38542995       1.91814004       0.45397169       0.10664301       0.31076340
Li       3.28773005      10.84819995       5.85475001       0.06340790      -0.89650471       0.30779032
Li       4.15010006       8.83868005       0.15471804      -0.45277257      -0.06759158       0.43861841
Li      11.12910005       8.56539998       4.13733006      -0.06163986      -0.36459052       0.57538654
Li       6.20111998      12.53650727       4.62805003       0.00854168       0.50650102      -0.24830062
Li      12.55539994      11.39979998       6.65596994       0.16527769       0.21730053      -0.13108611
Li      12.20070004       3.30432002       1.68542998       1.09169956      -0.15475775       0.25052990
Li      11.89449997       2.20088005       8.58171994       0.02047872       0.14801641      -0.02228672
Li       4.92150994       9.13705002       4.24018002      -0.00442398      -0.40653847      -0.05100966
64
Lattice="11.85629141 0.0 0.0 0.0 11.85629141 0.0 0.0 0.0 11.85629141" Properties=species:S:1:pos:R:3:forces:R:3 energy=-547.96083798 stress="-0.020419695653569235 -0.001118270199889313 -0.004410163578889242 -0.001118270199889313 -0.012497949008893689 0.002668751749644804 -0.004410163578889242 0.002668751749644804 -0.015500590476472894" free_energy=-547.96083798 pbc="T T T" config_type=wetmd 
Cl       2.41041997       6.87958001       5.92889004       0.35873781       0.01405728      -0.37032086
Cl       2.78102997       5.39474005       8.82747005       0.69865382       1.11444933       0.67240164
Cl       0.35561203      10.15500003       6.96161998       0.54504704       0.26639911      -0.16254684
Cl       4.36520005      11.35239997       1.32067005      -0.13064112       0.28686927       0.58017908
Cl       3.66265005       3.28526002      11.58969997      -0.30478819      -0.46179009       0.34477661
Cl      11.85540005       3.37171005      11.00779995      -0.15868785       0.48102844       0.08604931
Cl       7.25604999       1.91367005       2.93780002       0.85658221      -0.22033024       0.17321980
Cl       2.08513005       4.15266998       3.08827995       0.70514692       0.10380348       0.22277119
Cl       6.19275003       1.64364005       7.46401005      -0.70924121       0.28479756      -1.01692145
Cl       8.50803998      10.68770000       8.58042999       0.54658735       1.16597506      -0.32532900
Cl      10.46720001       9.06797006       4.29701001      -0.22694300       0.63575408       0.37667177
Cl       4.60874997       7.51481995      11.33329996      -0.00258339      -0.07037465      -0.00060147
Cl      10.36019994      11.73779999       1.64776995      -0.33874027      -0.16743593       0.23778724
Cl       9.42278997       7.69876000       8.14624999       0.79101095       0.32729326       0.40321625
Cl       3.54964999      10.00279998       8.71533004       0.94442178      -1.03787998      -0.07629296
Cl       4.03493997       1.82079996       4.85314999       0.32874090      -0.46213960      -0.46627165
Cl       9.38164994       1.40774004       5.90909004       0.10830710      -0.05796407      -0.58975971
Cl       8.28465998       3.70637000       9.34538001       0.58300501      -0.60674061      -0.60044326
Cl      10.63659997       3.32962994       2.72217001       0.06400219      -0.14485014       0.57694245
Cl       6.73162002       0.79986502      11.26789995       0.30214621      -0.01596576       0.32523823
Cl       9.05283005       5.13858001       5.50712002      -0.72297289       0.05339985      -0.52278644
Cl       7.17291000       4.82263000       0.56916494      -0.33878381       0.07068607      -0.04634132
Cl       1.51267996       0.16580858       3.50771998      -2.92425464      -0.41431088       0.62963543
Cl       0.41764901       7.77048001      10.89500002      -0.01586759       0.20475271      -0.22756641
Cl      11.24409998       4.39337000       7.65958005       0.68613554      -0.18958051      -0.05149435
Cl       6.12296995       6.66764999       8.00658003      -0.03524813      -0.47498204      -0.44619985
Cl       5.76376996       5.88061004       4.08886997      -0.26664928       0.16028101      -0.28705376
Cl       7.93466996       8.60633006       0.74865995       0.40465832       0.17455552       0.35697466
Cl       2.32613004       2.22763994       8.20733004      -0.55579804      -0.59545940      -0.68454295
Cl       0.91304198       0.02640858      10.61350001      -0.08164741      -0.58829317      -0.37574135
Cl      10.99290003       6.57764995       1.66293996       0.51622458       0.39940258       0.05005825
Cl       2.44092004       7.92455998       2.74581999      -0.95935684       0.99837304      -0.64405858
K        3.94506999       0.66545902       9.97295995       0.30499269       0.45613314       0.37588306
K        6.32219002       9.13219997       9.40303004      -0.04483413       0.18100499       0.45001010
K        5.67704996       4.54051998      10.10279998      -0.51189046       0.25518250      -0.49256591
K        9.32362999       2.55677996       0.29550858      -0.64131342      -0.39183234      -0.27090194
K        1.39287996       1.69373004       1.14835996      -0.05817349       0.37542322      -0.39757313
K       10.20699994       9.99513999      10.86830001       0.11474053      -0.05880560       0.01870674
K        2.37471996       5.85144996       0.47953601      -0.23656669       0.04605088      -0.42291536
K        4.85593005       3.37932001       2.45304998       0.02221073       0.43141102      -0.12526394
K       10.96620001       1.54233005       8.41205002       0.32373756      -0.44434209       0.64160513
K        8.54609002       5.83266995       2.61559001      -0.39583204       0.11352996       1.34361517
K        4.17225005       4.05808001       6.78371004       0.45316523      -0.23704556      -0.63970737
K        2.46306001       9.57939000       0.21000859      -0.22419208      -0.27463704      -0.37529746
K       11.36069997       6.50428997       4.57922994       0.79088515      -0.31118103       0.65563724
K        9.71224994       5.81041000      10.94840004       0.28859449       0.30630393      -0.43033516
K        0.51561897       7.07634003       8.10387999      -0.08607000       0.38616496       0.09347012
K        0.67917402       2.69637996       5.20279997       0.23649978      -0.26385187       0.39650989
Li      10.18739995       9.60460003       6.95095002      -1.19613857      -0.05031454       0.15974181
Li       6.20805994       7.14858006       0.90753105       0.06796211      -0.24340937       0.03480018
Li       3.77444006       7.00276996       3.99396000       0.59092013      -0.64030081       0.91976316
Li       1.36910003       3.91830999       9.29299002      -0.51412073      -0.57917051       0.09784422
Li       8.24715995       6.24567995       7.25170003      -0.62786589      -0.44355059      -0.23700086
Li       6.35274001       0.36697403       1.71057000       0.06844139      -0.25147334      -0.77115759
Li       3.97873996       7.05506000       7.65836004      -0.50724864       0.30396742       0.12796119
Li       9.55789004       9.71165001       2.45642001      -0.33261598      -0.00177670      -0.73349138
Li       6.96659001       1.60201000       5.12181996      -0.33570509       0.01590788       0.85995057
Li       3.39874003       0.02430860       3.33127002       2.80402413       0.12477051       0.17584754
Li       9.74007002       1.29566999       3.51560998      -0.14191379       0.12074116      -0.08733046
Li       7.18601001       1.34464003       9.20965001       1.03675050      -0.13660140       0.47881094
Li       1.70867003      10.85479996       8.53893000      -0.88860718       0.61581403       0.20417043
Li       0.31350856       4.99639996       2.51655002      -0.74933268      -0.31093678      -0.71669254
Li       9.29834005       3.50547001       6.92544003      -0.32397176      -0.02578579       0.31306147
Li       0.78585005       9.93329994       3.93769004       0.04626414      -0.30117084       0.21119440
64
Lattice="12.6302097 0.0 0.0 0.0 12.6302097 0.0 0.0 0.0 12.6302097" Properties=species:S:1:pos:R:3:forces:R:3 energy=-549.41374402 stress="0.0005491669823272458 0.000393455085922572 0.0022288432833434593 0.000393455085922572 0.0018140196544303487 -7.16957846648913e-05 0.0022288432833434593 -7.16957846648913e-05 0.0028230688310390806" free_energy=-549.41374402 pbc="T T T" config_type=wetmd 
Cl       6.48451006      11.28860003       5.18756006      -0.18227159       0.05512817       0.33590444
Cl      11.31949996       5.05111994       8.34478005       0.10313601       0.09804508       0.23404788
Cl       9.98303003       8.59583995       4.12823999       0.48008519       0.09821639       0.01060435
Cl      10.18960001       0.83760002      12.19292570      -0.23646665       0.02967508       0.33957952
Cl       7.11256998       6.29049994       2.34044998      -0.42657481      -0.61580320       0.24933112
Cl       2.29290999       1.78236004      11.25369998      -0.77385102      -0.25499958       0.03296259
Cl       2.12549000       9.44077004      11.51699994      -0.06582735       0.23069639      -0.34179096
Cl       2.52214994       0.28922006       3.92382005      -0.14131082       0.36982905       0.03369102
Cl       4.61683006       4.36143004      10.21640006      -0.27183588      -0.14664514       0.02213606
Cl      11.35240002       7.96490995      12.24479999      -0.22057614      -0.27535067      -0.63342031
Cl       8.45600004       8.72467996       8.76780998       0.20681646      -0.07622795      -0.30959984
Cl       4.83670003       2.86296996       1.34500998      -0.12617120       0.20679443      -0.23009729
Cl       8.10680998       1.89426003       2.96167000       0.00510287       0.22421751      -0.24373558
Cl      12.08068772      10.40649999       1.62573003       0.56157094       0.30668274      -0.07312885
Cl       5.02021003      11.38339998       9.15762006       0.36034882      -0.11132892      -0.05277207
Cl       3.08672006       4.58525996       5.29998004       0.10653292      -0.39990719       0.38320605
Cl       9.11839997       0.61750901       8.07631004       0.15034606       0.22322858      -0.07742060
Cl       1.47157996       1.58220001       7.12391999      -0.37004619       0.14137551      -0.08289212
Cl       8.89689995       5.86684999       5.84744001      -0.29380563      -0.17781633       0.41435230
Cl       6.27658006       8.29169996      11.25350004      -0.32051713       0.01803975       0.14575419
Cl      11.82880003      11.14630000       9.65185002       0.12482797       0.03272206       0.30575890
Cl       7.70438005       4.97645999       9.67531000       1.50184749      -0.42728963      -0.57296159
Cl       5.18638002       1.88210004       6.41909000       0.21427575      -0.00097677       0.07685097
Cl       0.26760901       6.66245999       2.88889006      -0.27105101       0.46677381       0.36157063
Cl      11.51389998       2.26015999       3.74860001       0.43923692      -0.53371294       0.33918270
Cl      12.36620005      11.00660003       5.67436004      -0.09388277       0.83951150       0.37473340
Cl       4.45937997      11.45390005       0.40522095       0.38212858       0.25826945       0.23017145
Cl       4.97783997       7.74503998       7.46949995      -0.12002410      -0.27948794      -0.01651245
Cl       1.25518001       7.72188994       6.23856995      -0.03547135       0.02135086       0.24780796
Cl       4.30393998       7.59724998       3.88193006      -0.11523306       0.38578252       1.15256465
Cl       2.21064994       5.55209001      12.57866657      -0.50943792       0.13701607       0.10081979
Cl      11.12519997       4.18278002       0.80693905      -0.39023650       0.14879840      -0.39668396
K        8.88678997      11.36810000      10.45840005       0.04504252      -0.27900395      -0.02315077
K        9.85556002       3.11528000      10.25220001       0.38167412      -0.21269447       0.21984483
K        8.86195001       6.64176994       0.29019031       0.17915583       0.05179132      -0.51054153
K        4.98751004       1.22948006      11.02190002       0.68887588       0.09169820       0.19593787
K        4.06369002       7.71189995       1.22911997      -0.02070603      -0.06595070      -1.05015724
K       10.21089998      11.59280002       3.29382001      -0.52857132       0.48106415       0.55392765
K        1.59966999      12.37961068       0.90904596       0.09131966       0.11686408       0.02841354
K        1.68628999       4.17841994       2.69474997      -0.00368385      -0.31732362      -0.00512840
K        1.98887003      11.97879994       8.93361003       0.11712072      -0.05717493       0.32700092
K        2.94521006      10.07639999       5.13202995       0.04480527      -0.01067362      -0.07675146
K        5.80539998       4.57622002       7.21766001       0.03523488       0.40319034      -0.10117649
K        7.26759001       8.39109996       4.98539006      -0.38915753      -0.38805015       0.08998640
K        5.44204994       0.35974298       2.95110003       0.07277382       0.04368216       0.02587323
K        1.75796996       3.96975006       9.30116997      -0.24574687       0.21733701      -0.28480852
K        0.10979024       8.46148003       8.97002002      -0.09103625      -0.49875972       0.07836455
K        9.95696001       3.16113006       6.32457006       0.04304721      -0.09734892      -0.38823757
Li      12.52490002       9.81768000      12.13239996       0.24687505      -0.00931349      -0.15699501
Li       4.83232998      10.08069995      11.35139996      -0.45608424      -0.10800279      -0.19862696
Li      11.85199996       8.67393999       3.06102996       0.23516088       0.06211128      -0.46156859
Li       0.31439598       0.86371601       5.11173005       0.23603685      -0.25606557      -0.20954602
Li      11.95339996       7.04933999       5.17464996      -0.28186593      -0.11196759      -0.16084466
Li       3.17876006       3.61940004      12.30030003       0.66623832       0.04233991      -0.02093075
Li       6.14097998       9.15994995       8.75091000       0.32947000      -0.07677977       0.14430990
Li      12.14579771       6.20780996       0.72040998       0.58584138      -0.22714608       0.06691584
Li       6.05000003       0.03949025       7.09384001       0.40445693      -0.75269639      -0.16900169
Li       9.88548995       2.29182998       1.44897997       0.34763875      -0.08175377       0.16807833
Li       7.01046003       3.90019006       2.35997994      -0.36219765       0.14969200       0.07055126
Li       3.44556996       6.80693002       5.93046002      -0.14406652       0.02356127      -0.38210869
Li      11.22040005      12.16309996       7.75730000      -0.20499794      -0.23293057      -0.43627993
Li       6.17189002       6.13331003      10.31010005      -1.30084197       0.76082382       0.40344883
Li       9.14760001       6.26559999       8.13773000       0.02594087       0.22752531      -0.04086833
Li       3.19242999       2.16189001       5.54507001      -0.41941770       0.11934817      -0.05594488
64
Lattice="12.56613756 0.0 0.0 0.0 12.56613756 0.0 0.0 0.0 12.56613756" Properties=species:S:1:pos:R:3:forces:R:3 energy=-547.135933 stress="0.0029635235768383523 -0.0005240417935825119 -0.0019173809616982774 -0.0005240417935825119 0.0023809891496826417 -0.00010153441754678238 -0.0019173809616982774 -0.00010153441754678238 0.0017976236468622926" free_energy=-547.135933 pbc="T T T" config_type=wetmd 
Cl       7.41497003      11.86499999       5.48645998      -0.29145377      -0.07876203      -0.19257733
Cl       9.77570998       5.60843998       5.08348996      -0.27477631      -0.29949892       0.76138117
Cl      10.40920001       9.97900005       2.63141995      -0.03257268      -0.65217583       0.65660560
Cl       0.91308395      11.41129997      11.03659999       0.12121443      -0.09967853       1.01351788
Cl       8.62986006       5.94385997       2.19422995      -0.97856496      -0.05753534      -0.38632876
Cl      10.70739998       5.26519002       9.84265004       0.10891736       0.04837452      -0.69181710
Cl       3.01341998      12.42589997       1.83944001      -0.41814987       0.33074033      -0.52151038
Cl       3.06411995       0.50119298       5.92967004      -0.08552633      -0.24487436      -0.20858388
Cl       3.47544997       5.62655004      10.83889996       1.02898422      -0.04530719      -0.30027218
Cl       9.85390000       9.92040000      11.55329996       0.04000288      -0.11002822       0.35574751
Cl       9.04586004       8.90906996       8.22195997       0.11141769      -0.18727261      -0.05579047
Cl       5.31438997       2.58873002       0.88295702       0.18485208      -0.33064207       0.30957882
Cl       8.26710998       2.59239003       3.81970006      -0.49955064       0.13128194      -0.13932940
Cl       1.65966005       9.27597994       2.78446005      -0.16847064      -0.04474003      -0.36487444
Cl       5.99346995      11.67489996       9.54074997       0.16625416       0.44766381       0.88068066
Cl       2.84094999       4.07178004       5.49141003       0.51252465      -0.62828417       0.45030801
Cl       9.38648002       0.77412095       8.05974006       0.20018257       0.13718987       0.32398214
Cl       1.85481003       1.61907005       9.21897994      -0.02231564       0.31062574       0.31834800
Cl       5.79187995       7.83941005       4.99808998       0.42666241      -0.26261777       0.12082371
Cl       5.97280996       8.48616000      12.12070003       0.11948807       0.15655015       0.08985787
Cl       3.81521998       8.44924006       8.84171006      -0.44839069       1.00312798       0.74930388
Cl       6.95208994       5.75744006       9.86177005      -0.30250198      -0.37137941       0.15561711
Cl       5.63997998       2.60916005       7.69047003      -0.00498707       0.05428283      -0.76574490
Cl       0.78416996       3.13285999       0.19441901       0.20233341      -0.09005454      -0.35511708
Cl      12.10730000       1.51452996       4.42715996      -0.24030787       0.62469147      -0.68649995
Cl      12.18939998      10.86490005       6.90318002      -0.34957569      -0.57268691       0.50702507
Cl       6.66677001      11.65259997       1.42296994       1.98120333      -1.14617844       0.53799043
Cl       1.72457999       7.30620006       6.24640996      -0.14851696      -0.04048454       0.05049905
Cl       0.45809704       5.56347997       3.37564002       0.51217871       0.26757457      -0.05030999
Cl       3.98747998       6.39434997       2.40249006      -0.35458419      -0.39733777      -0.07052606
Cl       0.34510296       7.25535998       0.00626246       0.67779043       0.14750093      -0.26007642
Cl       9.37434000       2.60189996       0.08853736      -0.34285638       0.13518534       0.13369372
K        7.46009000       9.06692000       2.47770003      -0.00149793      -0.49488560      -0.07182759
K       11.56650006       2.05970995      10.54550000      -0.40392269       0.04070900      -0.35838841
K       10.24500005       6.28789996      12.38150003      -0.46853260       0.14685771       0.33465607
K        6.99258005       2.54750002      10.14710003       0.39059270      -0.26048758       0.44073861
K        5.85949997       5.35867995       0.19489300       0.01293746       0.74897467      -0.04145238
K        9.35202003      12.51419995       2.87038994      -0.32367975       0.76918903       0.22294026
K        4.12942996      10.73950005       3.93122000       0.09386400      -0.42993118       0.42590887
K        2.32926994       3.02212995       2.71708004      -0.11363524       0.04807780       0.06862047
K        2.60092998      11.33149997       8.36107000       0.05676533      -0.14725849       0.18460916
K       11.17039995       8.03998006       5.21330997       0.66409916       0.47419310      -0.12963345
K        4.52400002       6.01027000       7.93592000       0.03692120      -0.78244073      -0.48472744
K        6.06305996       9.77774996       7.59583005       0.45455952      -0.42646615      -0.84386449
K        5.25044994       2.11283996       4.45442006       0.16785102      -0.03954610       0.18647676
K       12.25499999       4.16547002       6.07699996       0.14630140       0.17564253       0.10372274
K       11.91869999       8.90944004       9.62572998       0.17050248      -0.09053960      -0.08255284
K       11.06680006       3.85000996       2.47863005      -0.77598793      -0.44932710      -0.00831340
Li       1.98166004      10.45939997       0.95076804       0.19856583       0.26047470      -0.12971406
Li       5.09662006       0.10684095       1.11801001      -1.70082715       1.71180229      -0.74511166
Li      11.55350001      10.02980004       0.87122200      -0.11066288      -0.32728470      -0.84370321
Li       0.14226702      12.55264806       5.71157002       0.59759094      -0.01025919       0.09796062
Li       7.55780994       6.00391002       4.49375999       0.28308500       0.18155705      -0.19649355
Li       1.64857999       5.39427994      11.63540007      -1.56103179      -0.29970324       0.68180955
Li       7.43195995      10.12370000      10.93999994      -0.17342036       0.10929770       0.08918261
Li       1.71701995       6.85787998       1.94466005      -0.02173193       0.41356084       0.33703643
Li       7.58599001       1.24216999       6.74584997       0.03605473      -0.20652746       0.07434976
Li       1.77100005       1.04760999      11.81240002       0.08124470       0.01226086      -0.29215525
Li       7.60761005       3.13550001       1.62520006       0.38731384      -0.27100385       0.17839412
Li       3.04381005       6.14796998       4.71825994      -0.27978372       0.60229056      -0.27066039
Li       9.86134003      11.06739997       7.60578997      -0.11793769       0.27927805      -0.07177046
Li       4.02863999       7.85016000      11.11790001       0.26299775       0.10660762      -0.48196747
Li       8.79655000       6.57890004       9.20881997       0.62014487       0.16994434      -0.39280257
Li       3.33501999       2.29811999       7.57590003      -0.03964501      -0.15030766      -0.34686970
64
Lattice="12.35043058 0.0 0.0 0.0 12.35043058 0.0 0.0 0.0 12.35043058" Properties=species:S:1:pos:R:3:forces:R:3 energy=-547.63962111 stress="-0.004580663170790415 0.0017074027011042502 0.002259754812919562 0.0017074027011042502 -0.004060922675772951 -0.0016042429321659966 0.002259754812919562 -0.0016042429321659966 0.0006744515279847479" free_energy=-547.63962111 pbc="T T T" config_type=wetmd 
Cl       0.76792396       0.97748199       9.01077004       0.43503887       0.27680304       0.23822394
Cl      11.91000002       4.37414002       7.55466996      -0.15776604      -0.82169435       0.15637047
Cl       6.72256995      10.98859998      10.43369995      -0.79791047      -0.39186859       0.70123468
Cl       0.49736938      11.60529996       5.62779999      -0.22877001       0.48364685      -0.35721841
Cl       6.52317002       5.16686006       6.53628000      -0.49694086       0.21421901       0.12779957
Cl      10.61469995       5.54488995      11.64330001      -0.20143212      -0.31274063      -0.17339810
Cl       1.54565997       2.37129996       0.85396595       0.00707468      -0.33852959      -0.21247786
Cl       2.20022995       3.57059001       5.10267006      -0.42291226       0.02674810      -0.58961088
Cl       3.12502994      10.74460005       7.62157002       0.37361358       0.75876010       0.54422523
Cl       4.28209004       0.79887599      10.90189996      -0.15480792       0.18225538       0.79463973
Cl       1.38988004       6.65837006      12.34780006      -0.03151163       0.42158316      -0.11905214
Cl       9.04335998       0.23766946       2.79163995       0.42253515      -0.43554861      -0.05928913
Cl       7.05916994       1.70909001       8.53434995      -0.39773772       0.39985142      -0.33511822
Cl      11.18900004       7.54082994       2.27437996      -0.04124081       0.53604153      -0.17753453
Cl       5.22758997       8.35091000       7.59277005       1.38334059       0.24344923      -0.28363480
Cl       5.66480003       4.45932995      10.51960003      -0.87714078       0.58367064       0.55197269
Cl       9.28652996       1.11830000      10.98970003       0.36938327      -0.18041788       0.34914063
Cl       4.47857995       8.09783004      10.97270003       0.00805056       0.11990274       0.18727750
Cl       7.64728003       2.36619998       5.23263006      -0.05976347      -0.33288905       0.09765903
Cl       3.28816999       5.80536003       8.39320997      -0.45553186      -0.60447482      -0.06803766
Cl       2.51765997       7.49128001       5.08250996       0.14628490       0.22686652      -0.11350025
Cl       7.96929997       6.99434994       9.59674004      -0.10993071       0.42784712       0.30703513
Cl       3.68673000       2.26457001       7.53167000       0.42332408      -0.14358043       0.54050737
Cl       4.74916998       1.02913001       2.36851000       0.11969772      -0.61081496      -0.10025204
Cl       1.00179999       8.25971998       8.93932996       0.20456892       0.34012922      -0.15752143
Cl       8.59326003      10.67980006       7.77375005       0.20251564      -0.28784504      -0.24315464
Cl       1.76793005      11.12670002       1.58760005      -0.16696822      -0.19900581       0.05948616
Cl       4.63264997       4.54797999       2.98334000       0.21468590       0.17191781      -0.18110319
Cl       9.12691003       7.12934002       6.15264994       0.54639436       0.02399692      -0.32084256
Cl       5.75087006       9.90336999       2.74467003       0.25437557      -0.06791896      -0.08261934
Cl      10.62499997       9.45394004      10.67240005      -0.18639505       0.40541674       0.39426462
Cl      10.21220004       4.36302994       3.43671998      -1.36321174      -0.61448932       1.17348677
K        7.35487000       2.75238003       2.38054994      -0.00364631       0.59148096       0.25007586
K        8.18249002       3.80926998      10.30509998       1.33184983       0.29945710      -0.31654614
K        6.95635001       0.12076943       0.67785202      -0.14214485      -0.61288054      -0.40751695
K        7.29982006      11.32180002       5.14411996      -0.22185983       0.04734798      -0.21281278
K        7.43646003       7.75230995       0.94235502       0.06755547      -0.00602657      -0.11225377
K       11.84770000      12.27810004      12.16023457       0.07635132      -0.28864133      -0.01449943
K        3.43530005       8.34012004       1.45599004      -0.18287146       0.08588157       0.18688863
K       10.90669995       6.78084002       8.61875996      -0.43643631       0.37177075       0.43470252
K        2.98925005       4.54424003      11.59959999       0.48907565      -0.64033339      -0.02802981
K       10.53170000       1.29143994       5.18127005       0.13844192       0.52256550      -0.05541472
K       11.70379995       2.93598005      10.44949998      -0.09041310       0.64297363       0.03425228
K       12.21703160       6.02125001       5.12739006      -0.04517696       0.26048969      -0.13572347
K       11.63120004      10.29449997       3.47960994      -0.15286733      -0.48080022      -0.50665460
K       11.50730003      11.23870003       8.07176001       0.12186606      -0.87411294       0.43260064
K        3.26529996      11.16370006       4.56032004       0.02157627      -0.16311007      -0.07335403
K       12.29649995       4.56847997       1.85348000       0.66624655       0.67113326      -0.71957995
Li       3.44921998       2.51940003       3.09589997      -0.59555381       1.13158931       0.37389791
Li       1.36125001       3.00024996       7.31851997       0.48236801      -0.09375220      -0.13328645
Li      11.65200002       7.91039002      12.09179997       0.01899389      -0.64464254       0.31601760
Li       3.32814994       0.47373794       8.98014999      -0.68442773      -0.27924982      -0.82325351
Li       5.49089003       6.23242001       8.50054003       0.28078724      -0.13305641       0.25230292
Li       4.82781999       9.93741000       9.28276999      -0.04487389      -0.28178882       0.08545500
Li       2.51635997       7.01424006      10.09879999      -0.13148992       0.70454869       0.12567639
Li       3.74608999       5.45918006       5.16044994      -0.08531186       0.10383195      -0.10978820
Li       3.04541005       8.46132001       7.48610000      -0.86646363      -0.46964754      -0.24168147
Li       2.98802995       0.46570398       0.63746105       0.27817679       0.20455662       0.01728394
Li       5.16761998       2.56593003       9.65808994      -0.07465735      -0.60619828      -0.66185624
Li       8.59706001       4.53495004       5.44027995      -0.10394836       0.45185501      -0.03704640
Li       8.39874000       9.74328000      10.08589997       0.63460559      -0.94521896      -0.39837316
Li       5.56302001       3.18690004       6.42959995       0.28672456      -0.47302151       0.19436881
Li       7.65459000       8.04331005       7.62771003      -0.15939750      -0.05792631      -0.27114936
Li       8.02910001      12.28670001       9.30429000       0.16600893       0.45963798      -0.09366044
64
Lattice="12.53750612 0.0 0.0 0.0 12.53750612 0.0 0.0 0.0 12.53750612" Properties=species:S:1:pos:R:3:forces:R:3 energy=-546.91913336 stress="-0.0016331709475909486 -0.001472562312650618 -0.0006965919334428475 -0.001472562312650618 0.0010416128898240382 -0.0026470202254495413 -0.0006965919334428475 -0.0026470202254495413 0.002183351881800222" free_energy=-546.91913336 pbc="T T T" config_type=wetmd 
Cl       2.93014005       0.70567303       8.38528996       0.44226345      -1.88401229      -1.20016078
Cl       8.85601000       7.55789994       2.21038001      -0.20030607      -0.14136345      -0.41298209
Cl       4.86280001      11.78449999       0.94222104      -0.44166651      -0.17411124       0.21684211
Cl       8.25544001      10.03900006       6.63065005      -0.25051448       0.17901515      -0.22321269
Cl       9.99122000       5.01156002       6.34375994      -0.38820876      -0.35799489      -0.05073368
Cl      10.12609999       5.25059999      10.80140004       0.91469917       0.00750045       0.16610005
Cl      12.23470002       4.28289998       1.10716999      -0.00562645      -0.58593279      -0.47765225
Cl       4.85271998       3.06718001       6.14163002       0.10312190      -0.21938590       0.29159419
Cl      12.02640001       7.54815002       5.24109995       0.19365114       0.46377547      -0.18319651
Cl       7.03118000       4.22284996      12.17119994      -0.34227794       0.23843790      -0.26581373
Cl       1.62319995       6.77643994      11.37089995      -0.48340554      -0.33822724      -0.20606656
Cl       8.28737993       0.09899665      11.61459998       0.29192105       0.56309647       0.65868931
Cl       7.35556001       2.85886997       8.75705999       1.16297379      -0.11577194      -0.34714902
Cl       0.22712394       9.95360998       1.26989002      -0.32782665      -0.00368662       0.06230236
Cl       3.72225994       6.29056995       8.24538004      -0.53468466      -0.39556498      -0.07825706
Cl       4.48031003       3.01593998       2.69409994       0.27864497       0.10071642       0.11793563
Cl       0.36815396       2.48003004       9.71675994       0.35515898       0.92993711       0.27126012
Cl       4.52954006       9.22052997      10.13719995      -0.45196594      -0.00433384       0.08847109
Cl       7.17903995       0.34499393       3.88162995      -0.51606430      -0.11351888       0.47498278
Cl       7.36489995       6.42512999       8.49188998      -0.07744784      -0.47667348       0.63645730
Cl       0.97841695       3.28201005       5.47769999       0.26237408      -0.27438664       0.19288218
Cl       8.91986001       8.95897001      10.46459999       0.08630395      -0.11989789      -0.20744037
Cl       6.32909006      12.04309997       8.99345003      -0.75636622      -1.06344710      -0.96119490
Cl       2.96829996       0.00188602       5.03600001       0.54688880      -0.11781053      -0.28593682
Cl       4.44013999       3.02854995      10.54580003       0.01222933       0.12253050      -0.07317834
Cl       9.84519002       0.21210401       8.79652994       1.11158396       0.26402207      -0.18148637
Cl      11.91769996      12.01689997       4.80347002      -0.08038184      -0.06674575      -0.63768468
Cl       6.75493999       5.80428999       5.36739000      -0.22991625       0.45155819      -1.25081327
Cl       4.52585002       9.43909004       6.62801994      -0.05075845       0.37439319      -0.18028299
Cl       4.24540005       7.07566006       2.00052999       0.24640463       0.32037199      -0.09915785
Cl       0.96696694       9.95991999       8.95394999       0.23593279      -0.17650104      -0.05127923
Cl       8.45790995       3.93192002       2.93017002       0.17531416       0.13020170      -0.61231789
K        6.68939003       1.79668004       1.11822995       0.10194401      -0.64715820       0.17596222
K       10.09019997       7.97082997       7.75039002      -0.24129146      -0.14032460      -0.19582272
K        2.90014006       9.28356002       0.50486305       0.36099174       0.14787099      -0.46986297
K        6.33413001       9.05115001       3.74836002      -0.15168152      -0.08483746       0.38911852
K       11.62399998       7.01970003       0.44796998      -0.38554528       0.60107415       0.05491524
K        6.80808999      10.21520003      11.93460002      -0.32136524      -0.06918294      -0.04325995
K        2.65579999       0.84298204       2.26860005      -0.34723403      -0.28033893      -0.23527000
K       10.53890001       9.79794995       3.37426002       0.03527796       0.11280738       0.50151560
K        4.50136000       6.44774000      11.06360003       0.68265260      -0.66785744       0.36819447
K       12.50307675       5.18067004       7.86627005       0.13533935      -0.20865565      -0.60193870
K       10.77789998       2.25037001      11.59790003      -0.73777702      -0.23520571       0.03752590
K        2.25402006       4.92456001       2.25193996       0.18522735       0.15416212       0.53132972
K       10.83520002       2.45647997       4.28543005      -0.04840693       0.03754610       0.31705177
K       10.96839999      10.77670002      10.87510001       0.58126302       0.41700317       0.11347359
K        1.65925004       9.74254997       4.44116004      -0.15031458      -0.04479485       0.38820160
K        0.14033494       0.23629099       7.41879994      -0.29323924      -0.00416808       0.27453165
Li       5.04078997       1.32581996       4.53882997       0.26486088       0.05640495      -0.10170341
Li       0.38039997       4.65923002      11.20459996      -0.10071769      -0.11178291       0.22218988
Li       2.42275997       8.04770996       9.05071998       0.16742222       0.31006741       0.14960065
Li       3.51624000      10.88919994       8.50222001       0.20122171      -0.19219410      -0.02341926
Li       5.54972997       7.63361005       7.96396995      -0.08324826       0.43384106      -0.29737609
Li       8.68877998       6.03705995       3.88680994       0.15034893      -0.32440458       0.90321186
Li       5.52820997       3.78564004       8.34596996      -1.40237106       0.41143860      -0.01390604
Li       6.33607997       4.31005998       3.55475999      -0.51493387       0.06083135       0.52433025
Li       2.86073994       1.86202001       6.30248998      -0.19172406       0.44411781      -0.08789203
Li       8.19035004       4.30118004      10.26050005      -0.21960270       0.48332186      -0.36167447
Li       2.68596999       2.28952001       9.47820004      -0.48539915       1.43519798       1.16166994
Li       8.24668006       5.49118997       0.79752606       0.52049558       0.30332965       0.57887267
Li       8.38422001      11.18939999       9.00905998      -0.09291338      -0.52800522      -0.21443151
Li       6.27358000       1.32639994       9.94707995      -0.07493373       0.67608941       0.73636437
Li       7.58862999       4.53890006       7.01804997       0.87746465       0.30333070      -0.10215490
Li       6.47944999      11.66070002       6.56914005       0.29614096      -0.36571409       0.12913208
64
Lattice="12.0238438 0.0 0.0 0.0 12.0238438 0.0 0.0 0.0 12.0238438" Properties=species:S:1:pos:R:3:forces:R:3 energy=-547.46296077 stress="-0.01285453606214549 -0.0003092058725414651 0.0019557178773682428 -0.0003092058725414651 -0.009424801993715374 -0.0030869335538864957 0.0019557178773682428 -0.0030869335538864957 -0.006131113269581421" free_energy=-547.46296077 pbc="T T T" config_type=wetmd 
Cl       2.85810002      11.15920005       8.43993996      -0.41955899       0.18392902       0.02124290
Cl       8.10823001       7.64916001       1.57206996      -0.14375337      -0.14727640       0.20280154
Cl       3.74643001       0.54735615      11.28640006      -0.33160256      -1.10859822       0.94316677
Cl       7.43796997      10.91480004      11.61819995      -0.02296491      -0.21916459       0.20950023
Cl       7.89793996       7.06838996       5.56617997       0.26369814       0.61579449      -0.05333463
Cl      10.02809999       3.89922998      10.90989996      -0.69296201       0.36019792      -0.15673059
Cl       2.01178999       3.70108004       2.82507004       0.24669221       0.30037803       0.24602795
Cl       8.50722996      11.56839996       4.96210002       0.33822894      -0.00890148       1.11352675
Cl       0.33026902       7.36264997       3.67354003      -0.34456117       0.25730052       0.43887960
Cl       4.95806999       5.67576000       0.98349499       0.63921423      -0.18523919      -0.00292249
Cl      11.68429995       8.63119002      10.18999997       0.07100586       0.44216412       0.09305792
Cl       9.86080997       1.58876002       8.01188006      -0.17566937       0.11453333      -0.22235811
Cl      10.38929999       5.58369006       7.87531998       0.24048863      -0.01558667       0.99738532
Cl       0.92819397      11.35910006       2.56229999      -0.07637524      -0.30371436      -0.34820204
Cl       1.39080006       5.96080998      11.09960002       0.46262797      -0.19977943       0.27416160
Cl       5.68135000       2.10707005       2.11907995       1.29105597       0.03627764      -0.28197012
Cl       0.59475799       1.49230006       9.96429006      -0.48659734       0.43487649       0.12712091
Cl       4.78017998       9.05249998      10.46090006      -0.57709440      -0.71445131       0.44170610
Cl       5.24506002      10.21520002       6.71685004       0.28148219      -0.72858604      -0.07453921
Cl       6.61463006       4.00149999       8.08124995       0.26878739       0.20835143      -0.24696580
Cl       0.75179204       2.75935997       6.32461999       0.05727445       0.21531046      -0.27625255
Cl       9.09507004       1.63643997       1.65640003       0.56907504      -0.10939583       0.19998613
Cl       6.77140006       0.95703196       8.67439999      -0.36205241      -0.85632985      -0.01938876
Cl       4.31346006       1.77926003       5.64530997      -0.48061331      -0.27453778      -0.52697073
Cl       3.74144998       3.09581994       9.06485003      -0.71087233       0.51072485      -0.11385847
Cl       8.29213999       9.69588997       8.11119004       0.28684261       0.90412112       0.36260245
Cl      11.78589999      11.26329997       6.85489002       0.03803300      -0.09978178      -0.29224930
Cl       5.18004000       5.42814000       4.57658000      -0.76251686       0.02507885      -0.70042198
Cl       7.06544003       6.82683996       9.40147004       0.03880031      -0.33508068      -0.25538726
Cl       4.91702996       9.04339997       2.44621002      -0.32065500      -0.23728295       0.06577911
Cl       1.83335999       7.30551002       7.57450998      -0.11756395       0.77847142       0.84299838
Cl       8.11197003       3.62506001       5.19070996       1.22595679      -0.70145555      -1.56919156
K        5.66484006       2.29236999      11.11940005       1.32882777       0.85214350       0.06543286
K        8.84741997       8.33735998      10.78089999       0.14125706       0.40743033       0.26613028
K        1.32175999      11.07119995      11.19460005      -0.17280691      -0.56673015       0.12616986
K        7.02465996      11.25590001       2.64447996      -0.35874891       0.18544665      -0.55809650
K        7.87525000       4.46146997       1.70365999       0.13519704      -0.21676692       0.08151829
K        9.49213006       0.79514400      10.84689995       0.02807598       0.24509881      -0.11116663
K        3.20960002       1.16267996       2.14423996      -0.80563744      -0.97140224       0.26076599
K       10.72419999       9.44170002       1.81467001      -0.17898251      -0.30725377       0.13842537
K        4.43888005       6.05000995      10.16869997      -0.48475592      -0.64877083      -0.48612327
K       10.77160003       5.22577005       5.23842995      -0.27810497      -0.27239366      -0.95932294
K        0.43618297       3.38761002       0.40435622      -0.19626281      -0.02621051      -0.40818901
K        2.28060995       5.44064996       5.66441995       0.44298177      -0.93520308      -0.57543483
K       11.00910004       0.89744804       4.05628002      -0.27663090       0.48527168       0.39012805
K       10.64549996       8.58007005       7.19920000       0.44774317      -0.58826379      -0.27516198
K        2.44076995       6.59318000       1.94415995       0.07602244       0.20017909      -0.25725457
K        1.56950997       9.85503997       5.19866999       0.72773928      -0.33674416      -0.05957843
Li       7.09866997      11.38290006       7.06617000      -0.48099542      -0.17710394      -0.47082976
Li       0.03956674       6.40725001       9.34476006       0.15921586       0.14707336       0.06547046
Li       2.89737999       8.72782000       9.29667996      -0.50075674       0.22543085      -0.73532237
Li       5.09039996       2.14801004       7.59841001       0.59517758       0.31090147       0.19817089
Li       9.56236999      11.47439995       7.17448006       0.32228177       0.23655188      -0.23861785
Li       6.78706003       8.19941006       7.39608996      -0.18422740      -0.00769336      -0.29991209
Li       5.61359997       8.20191006       0.42313001       0.36870555       0.10157704       0.34675923
Li       4.54699004       3.71996000       2.80992997      -0.38684718       1.14591007       0.68279117
Li       2.43531004       1.09453002       6.80750995      -0.12788610       0.08814862      -0.14288599
Li       5.16254002      10.93110004       9.44752004       0.20835402       0.71326587      -0.45435054
Li       2.74837006       1.21970004       9.50528006      -0.24104320      -0.06333100       0.00540244
Li       6.18835004       7.17004002       3.24778005       0.11160455       0.21673298       0.20898796
Li      11.57189998       3.01190001       8.22265997       0.04918461      -0.06905915       0.39052264
Li       8.49883997       4.77781994       9.16581004       0.14043481       0.21346303       0.09252602
Li       6.90196998       5.10931996       5.93565995      -0.45025517       0.45071526       0.69502209
Li       8.14167998       2.45565006       6.94302997      -0.45271220      -0.18076152       0.57882307
64
Lattice="12.84577725 0.0 0.0 0.0 12.84577725 0.0 0.0 0.0 12.84577725" Properties=species:S:1:pos:R:3:forces:R:3 energy=-546.52043069 stress="0.0025109106497829634 2.9508981335898423e-06 -0.0028941391228669215 2.9508981335898423e-06 0.003944127331507745 -0.0009179888102883496 -0.0028941391228669215 -0.0009179888102883496 0.0015752472400575926" free_energy=-546.52043069 pbc="T T T" config_type=wetmd 
Cl       0.81586203       9.88167003       7.65965000      -0.02222482      -0.56449680       0.00293262
Cl       9.39273996      10.28400003       2.73278997       0.39356071      -0.01772358      -0.16338812
Cl       4.79982994      12.36050001      10.39309999       0.20448134      -0.19984316      -0.21242572
Cl       5.33084996       7.92074004      11.27770003       0.04437335      -1.03286431       0.06693706
Cl       7.61446999      10.98350000       6.13468000       0.30101328      -0.41593095      -0.06333611
Cl       7.65018998       5.28552004      12.18620003       0.32376010      -0.10973004       0.48267138
Cl       2.50678997       1.16665002      12.78070671      -0.48663297       0.12214949       1.21917024
Cl       7.58486998       1.16760999       7.20544002       0.01697446       0.59858875       0.58104896
Cl       1.87745004       6.69316994       4.20090996      -0.55173546      -0.11716250       0.22756622
Cl       3.98258994       5.28401002       1.29933996      -0.07063923      -0.10529894      -0.33131804
Cl      11.62939994      10.06060002      10.89079999      -0.00958754       0.08408017      -0.06564442
Cl       6.35454999       4.76123005       6.73435004       0.08307713       0.17708637      -0.14860398
Cl      10.10579994       4.56570999       9.16157005      -0.01629233      -0.19027718      -0.32767126
Cl       0.69449795      12.25960003       3.53313996      -0.85442399      -0.19910260      -0.68047590
Cl      12.15380002       5.20103002       1.25169999       0.02054023       0.40494923       0.39212219
Cl       5.79614996      10.79610002       0.66747095       0.24743788       0.08494576       0.12955585
Cl       1.80848003      12.83522509       8.86228002      -0.04237578       0.01520464       1.58412575
Cl       2.03340998       9.40230994      11.63400001       0.03050985      -0.06785311       0.06608160
Cl       4.85968997       9.32916005       7.96162994       0.18238964      -0.13078480      -0.07221857
Cl       6.14116994       2.08744998       3.27431000       0.34838948      -0.09123180      -0.02371321
Cl       2.18322000       2.58922004       4.12625004      -0.01378340       0.28777460      -0.05250499
Cl      10.08570002       1.22429994       0.48952996       0.24703133      -0.06536346       0.10097155
Cl       4.17324003       1.09428000       6.77301005       0.94872610      -0.09939607      -0.11025758
Cl       4.11108997      11.45410004       4.27469996       0.24589841       0.41529626       0.48237030
Cl       4.52552994       3.29183999      10.34059994       0.01310273      -0.26233382      -0.22272823
Cl       8.23098996      10.81359995       9.77934994      -0.14291241       0.36527167      -0.64207016
Cl      11.18959996       0.13623705       7.51535004      -0.35996556      -0.01297100      -0.02817280
Cl       9.79610996       6.92203995       4.25939999       0.24885407       0.17134516       0.29144342
Cl       8.43667000       7.84837001       7.92917997       0.09662331      -0.34223229      -0.25321044
Cl       6.81500996       6.97492999       2.68857005      -0.21621444       0.08076035      -0.17992562
Cl       0.45251306       6.47102997       9.01285000       0.20183157       0.44008604       0.65144217
Cl       9.21080997       3.63246004       5.26146003       0.42888586      -0.08162055      -0.34783905
K        5.56884997       2.65735995       0.20608005      -0.19228857       0.13288510       0.14300354
K        9.26645004      11.13900006      12.19990005      -0.18121258       0.44433748       1.44832316
K       12.83875100      12.42080002      12.71635823      -0.06009126       0.02598311      -0.00005810
K        6.81269001      11.72150005       3.39445001       0.21860443       0.28786061      -0.65403147
K        8.79319003       4.77681005       2.25989002      -0.05222802       0.01657411       0.04728261
K       10.98750005       3.83949003      12.01450003      -0.40936961      -0.48784620      -0.64078377
K        2.85556002      11.58509999       1.59581999       0.44259824      -0.32577775       0.03655388
K       12.14860005       8.02412003       2.32342999       0.14167456      -0.10007648       0.20603628
K        6.54917996       6.02143997       9.58300006       0.05781323      -0.86930719      -0.61577609
K        1.43204005       0.20669703       6.21076001      -0.05546121       0.06411737      -1.01879874
K       10.19410001       7.46431005      10.35539994      -0.10974939      -0.27931813      -0.20934142
K       12.56370004       5.60844001       6.38696001      -0.30405542      -0.21281176      -0.45614894
K       11.22060004       1.68644001       3.64686003       0.26493187      -0.28036713      -0.14801020
K       10.12829996       9.39196999       5.77195006       0.19859931       0.55699045       0.33625756
K        2.44017999       6.29616002      11.56579998       0.24817155      -0.10382446       0.22645964
K        2.82359998       7.32905005       7.02808004       0.16823353       0.19504747      -0.17105701
Li       5.62306005      12.00380001       6.22250002      -0.61112462       0.12192457       0.12889912
Li       0.49899101       8.80473003       9.99276005       0.38304679       0.23680273      -0.36433719
Li       3.51976994      10.88560002       8.67506001      -0.60364099       0.77325527       0.48488026
Li       5.67873994       1.20909003       9.04689002      -0.34267765       0.28229918      -0.42131875
Li       8.91823995      12.38520000       8.10614006       0.00427232      -0.24939109      -0.33085499
Li       6.95079997       9.30838997       8.94274995      -0.28861277      -0.13754049      -0.63641540
Li       5.87990006       6.63660999       0.49472402      -0.01792662      -0.09536712       0.20963559
Li       4.29659995       1.37394002       4.29163994      -0.87154422      -0.17545369       0.37303353
Li       2.43884994       4.67530002       3.10158003       0.22420402       0.08519623      -0.08468509
Li       5.27612001       9.95148002      11.49830005      -0.35005691       1.57294788       0.31942181
Li       3.11614997       1.32377995      10.85860000       0.54102497      -0.10985271      -1.62360010
Li       8.00848004       8.68325998       3.36013996       0.08449280      -0.47542514      -0.14363975
Li      12.68953226      11.66810003       8.62646995       0.02929260       0.00625818       0.20685666
Li       8.13808995       6.14952997       5.91893003      -0.18705149      -0.29732713       0.17056265
Li       6.74308003       2.67743996       5.44156001       0.15692020       0.40707002       0.49828000
Li       9.49974002       3.07230001       7.42749996      -0.36746200      -0.15118480       0.33043557
64
Lattice="11.68440223 0.0 0.0 0.0 11.68440223 0.0 0.0 0.0 11.68440223" Properties=species:S:1:pos:R:3:forces:R:3 energy=-549.65873825 stress="-0.013970082941806962 -0.0009629318515643143 0.00236924141241345 -0.0009629318515643143 -0.01684595481522083 -0.003381844816393916 0.00236924141241345 -0.003381844816393916 -0.017496906462161753" free_energy=-549.65873825 pbc="T T T" config_type=wetmd 
Cl      11.13310000       8.43272002      11.55379994       0.01301533      -0.03763884       0.03060558
Cl       8.06372006      10.24789997       1.38996001       0.19239378       0.71834387       0.55941050
Cl       2.86421002       7.85646996       7.32493996       0.19134921       0.26131017       0.09473538
Cl       7.45975003       8.38179005      10.61360003      -0.07988297       0.10971493      -0.58405505
Cl      10.30400006       7.28496995       8.08341996       0.04485616       0.60982345      -0.36132878
Cl       8.66580001       2.42147996       2.15919002      -0.07664186      -1.25269730      -0.09407718
Cl       6.22027998       7.09863996       2.58469996       0.61698957      -0.44992705       0.03406380
Cl       7.19427001       1.46961995       9.35382996       0.26133965       0.11094779       0.54206560
Cl       2.11393002       6.50246004       2.12125999      -0.79507886      -0.09741317      -0.41060294
Cl       6.16200005       0.35993895       4.39033994      -0.22541844       0.31778558       0.29583971
Cl      10.54489995      11.59410003      10.07070005      -0.25243026       0.00096885       0.15783571
Cl       9.60977994       3.69020004       7.75245997      -0.20129810      -0.42707768       0.44685596
Cl      11.11149998       4.49009003       0.21901103      -0.43589888       0.53086222       0.99556101
Cl       1.80861004       0.16618199       0.67881096       0.59923405       0.20686075       0.02717097
Cl       2.96769001       3.98299002       0.18109772       0.12692287      -0.14531208      -0.07215819
Cl       5.54267999      10.52710005       7.60847997       0.14277718      -0.52882403      -0.03339276
Cl       7.04144995       4.49062004      11.42299995      -0.05667268       0.20366452      -0.17236555
Cl       1.89276999      11.19789994       6.31949995       0.42873533      -0.40936164       0.46667246
Cl       7.97404998       8.75945996       5.42918998      -0.12592742       0.24983246       0.16072211
Cl       7.48818998       4.53157994       5.05322997      -0.47551710      -0.01127247       0.08409076
Cl       1.18052003       4.42343005       8.18163005       0.07908061       0.16813131       0.15069847
Cl      11.55670001       4.78058005       4.67060996      -0.94500730       0.15012091       1.09084221
Cl       4.90898999       2.78937002       6.97035001       0.95281064      -0.18798031       0.31865570
Cl       5.56941998       1.40211004       0.76339399      -0.21370077       0.46230983       0.63294643
Cl       3.33502997       1.07773000       9.62235996       0.03706613      -0.15503099      -0.64338467
Cl       3.47494005       8.77879998       3.71910994       0.30587949       0.86054499       0.83270798
Cl       0.51850598       1.05902000       3.91037999      -0.40303660       0.33967342      -0.16111634
Cl      10.24580005       7.81272005       3.43432998      -0.01705970       0.23815657      -0.12113983
Cl       6.61801995       6.50693003       8.26813003       0.03289049      -0.73738281      -0.29784460
Cl       3.74570002       7.62126002      11.03350005       0.12708967       0.65083647       0.56166044
Cl       3.41863000       3.82340994       4.47799002       0.78261824      -1.44756530      -1.24817315
Cl       9.44550999      11.50820004       6.80906998      -0.36245481      -0.97000516       0.53345485
K        5.44079002       4.19746995       1.98931996      -0.30566188      -0.03338090       0.24883417
K        5.56789003      10.62130005      11.23000003      -0.19268428      -0.47560939      -0.27063167
K        1.10883996       3.80126005       2.50016004       0.34513652      -0.88122169      -0.47174515
K        3.22858997       0.32189780       3.49829998       0.27749606      -0.26423957      -0.25539095
K        9.11833995       5.01125994       2.83769005       0.31557979       0.87844072      -0.35436911
K        0.46599780       2.31630001      10.65660003       0.40460324      -0.41490799      -0.59365903
K        2.40036005       6.10378999       4.98579005      -0.77842729       1.79274399       0.61524578
K       11.08150004      10.98160004       1.85163003      -0.26817841      -0.27988095      -0.03963039
K        4.77680003       3.88940006       9.54439999       0.00366558       0.46732596       0.29511702
K        2.18081002       2.19344004       6.73821997      -0.47626328       0.39135975      -0.15367605
K        9.27100005       5.62335004      10.20840003      -0.23708611       0.72321021      -0.42207450
K        5.64576002       7.12285004       5.67791001      -0.51765905       0.07646575      -0.63878528
K        9.86840005       1.94871000       5.33012004       0.05315093       1.40022872      -0.99368865
K       11.57549998       9.30450005       5.95390996      -0.59043448      -0.50327176      -0.17294652
K        1.61280996       9.92731000       9.39920996      -0.02949824       0.09821772       0.20846907
K        1.40120999       6.16344997      10.53220005      -0.24869521       0.19163906      -0.16481239
Li       7.82972997       8.60962000       7.76846000       0.34022938      -0.23982680       0.27321730
Li      11.41606421       7.14110996       1.75621006       0.79204295      -0.03671855      -0.42020869
Li       3.37016999       1.86416996      11.68169998       0.19234477      -0.70552162       0.39715165
Li       7.60974002       2.35000004      11.56830005      -0.12651568      -0.24326343       0.19550282
Li       9.29324002       1.25697995       8.60381998       0.07186109      -0.12030803      -0.05095175
Li       3.66350995       9.90981997       6.13881002       0.08846623      -0.57108650       0.06161615
Li       4.17634000       7.41228998       1.90856999      -0.59021612       0.50254822      -0.28211118
Li       7.61126997       0.43301203       2.82944998       0.07644671       0.12194610      -0.88757843
Li      10.99009998       5.44339996       7.00164003       0.34939342      -0.36771135      -0.15444521
Li       8.07350002       8.44600005       2.79165000      -0.01076380       0.03511526       0.33686952
Li       5.34344002       7.70497000       9.70044004       0.69641856       0.00376648      -0.36844392
Li       7.31639994      10.90680000       5.94024003      -0.03611620      -0.08438798       0.25308068
Li       9.18880998       9.78762998      11.01180001       0.34332955      -0.08688559      -0.01956222
Li       5.52754998       3.48802997       4.98220002       0.13420331      -0.53528207       0.31765813
Li       5.28510997       0.98554299       8.39715001      -0.23828336      -0.13224990      -0.42397813
Li       7.62680999       4.62695995       7.27243002      -0.10690735      -0.03965311       0.11897034
64
Lattice="12.19811962 0.0 0.0 0.0 12.19811962 0.0 0.0 0.0 12.19811962" Properties=species:S:1:pos:R:3:forces:R:3 energy=-548.30298357 stress="-0.0056708255082784445 -0.001253637834883079 -0.00036542823206823317 -0.001253637834883079 -0.006881942669026368 0.002032748217467935 -0.00036542823206823317 0.002032748217467935 -0.0012287987132261118" free_energy=-548.30298357 pbc="T T T" config_type=wetmd 
Cl       2.18279996       8.00563005       0.11808036      -0.83001801      -0.37707637      -0.03014725
Cl       8.22188003      10.41470001       1.39521995      -0.78579110       0.04362716       0.44935546
Cl       3.50224994       9.36275003       7.31364000      -0.19345028      -0.20841221       0.40943350
Cl      11.45559995       9.18686998      10.19100003       0.71012229       0.39293777       0.21226985
Cl       8.03782004       5.74883996       8.41216996      -0.17515450       0.41171874      -0.28871126
Cl       6.91182003      12.01440264      10.01640005       0.00275917       0.20906132       0.13254792
Cl      10.73730002       5.44274999      10.92040001       0.42400186       0.61803937       0.19976792
Cl       6.70421999      10.10970005       6.60279994       0.24829072       0.45293130       0.28601179
Cl       5.13862000       6.34681996       1.42000006       0.11043185      -0.04538089       0.11629129
Cl       0.95649298       2.00166996       5.25498006       0.07746112      -0.35527032      -0.14954717
Cl       9.76800999       8.51004999       7.66233996       0.29157476      -0.16745249      -1.38176160
Cl      10.49380005       2.64476995       8.94496004       0.51965397       0.42446082      -0.33988097
Cl      11.74749998       5.62545001       2.17804001       0.39298746      -0.31922963       0.31475669
Cl      10.02660000       0.45168039      11.55320003       0.36126075       0.02373264      -0.32222969
Cl       4.80663000       9.38379996      10.82039995       0.14129373      -0.13323102       0.28112750
Cl       4.26920000       0.58976005       8.27601004      -0.58121573      -0.37570692      -0.04673563
Cl       7.70458998       4.08211000      11.08270002      -0.89491305      -0.78668385       1.36932683
Cl       0.50129600       9.69088006       5.85276001      -0.01892894       0.23551449      -0.36088954
Cl       5.41732996       1.18248999       4.88369004       0.82502183       0.01125413       0.06869007
Cl       7.95629000       5.19468000       4.99570000       0.13326042       0.00533976      -0.44502449
Cl       1.83626004       2.10501999       0.47033900       0.11745239      -0.41320147       0.13827454
Cl      11.63619994       5.17362995       6.28565005      -0.19043884      -0.32424484      -0.10515048
Cl       7.60254002       2.22586005       7.45504999      -0.34034546       0.98449506       0.34977805
Cl       5.87791998       0.87428400       1.39907004       0.67714891       0.28798370      -0.15276785
Cl       0.72349499      12.11540002       8.65530996      -0.17009178      -0.11378036      -0.43237333
Cl       4.29159002      10.16039995       2.01918999      -0.16278690      -0.14875050       0.77985429
Cl       9.43169002       0.69562997       3.08188005      -0.15944463       0.78724666       0.12197808
Cl      10.93669999       8.84139996       1.34706994       0.36458902      -0.11084603       0.33543668
Cl       3.84597002       5.88954003       5.32212998      -0.06548467       0.39604638      -0.04255875
Cl       8.15810996       9.16221001      10.50829996       0.01027539      -0.64090031       0.30557839
Cl       3.20099005       4.82427995       9.60554006       0.19356623      -0.06362856      -0.05676994
Cl       9.32450002      11.87430004       7.67440000       1.50452646       0.39928527      -0.04659356
K        8.86249002       6.07073004       1.35404995       0.08230525       0.34548730      -0.11828525
K        5.89975998       6.50630001      10.69649999      -0.07340728      -0.08465291      -0.31246925
K        1.63944997       4.62206001       4.23425995      -0.64513668      -0.57425033      -0.14514086
K        3.23157001       0.58910001       3.30028994      -0.55599771      -0.10684258      -0.47155546
K        5.12000006       8.54611995       4.84430999       0.06222420      -0.11087311      -0.22944152
K       11.13480002       2.85012005       0.94013299       0.00660727      -0.04132569      -0.09067621
K        1.77713002       7.89973000       3.21379003      -0.23262666       0.39119700      -0.21684767
K       10.15080003      10.26060006       4.15908001       0.19120497      -0.37135074       0.19770082
K        5.05398006       1.92548001      10.83129995      -0.19821207       0.44572917       0.10070493
K        1.24541996       2.78660005       8.19886998       0.28464763       0.34283649      -0.16563993
K        1.11582995       7.12597998       7.34825997       0.46623041       0.51662761       0.56328143
K        5.53687995       4.42932996       7.25954000       0.10620503      -0.23411735      -0.05644010
K        9.78720995       2.65138999       5.50870998       0.29418332       0.07291522       0.18051285
K        6.24145005       3.53340003       2.98528997      -0.13969468       0.08093957       0.18667023
K        2.12030997      10.69970004      10.60269999       0.05455516      -0.33172068       0.65732546
K        1.73581999       4.93076002       0.22868034       0.32908048       0.44902807      -0.57411575
Li       9.25749001       7.41110005       9.44523005       0.19586494      -0.09676268       0.46179163
Li      12.07530005       7.75385001      11.83779997      -0.18943439      -0.09947302       0.16978378
Li       6.70594005      10.50779996      11.83110004      -0.13895874      -0.07701077      -0.08269546
Li       8.63603998       1.31796999       9.45324995      -0.44292836       0.05643381      -0.27830745
Li      11.13399994      10.46369997       8.25604001       0.00546533      -0.54824157      -0.46260235
Li       2.21282002      11.19009995       6.99904000      -0.09887494       0.09142281      -0.08270269
Li       4.27555998       8.45288997       0.63271598       0.15837226      -0.21230057       0.23207325
Li       8.52857003       0.45530604       0.97357901      -0.56718008      -0.06800562       0.14288283
Li       9.60774999       6.14582996       6.68728998      -0.40779043       0.23348464      -0.15715284
Li       7.17924002      11.93020000       3.18417995      -0.55308510       0.31174937      -0.12225928
Li      10.01359997      10.28430003      11.93930004      -0.06020698      -0.48486067      -0.11222726
Li       4.86740006      10.39509995       8.92147000       0.27236805       0.55197326      -1.05097389
Li      11.08880006       0.74011103       9.49287005       0.01062124      -0.66670410       0.25076007
Li       6.82153004       0.24970295       7.19845999      -0.78871305      -0.27334316      -0.36880614
Li       7.98863002      10.49870004       8.54148003      -0.22071686      -1.15979636       0.28640073
Li       9.16193995       4.21471003       9.54656996       0.25541402       0.55192879      -0.00088596
64
Lattice="11.93612706 0.0 0.0 0.0 11.93612706 0.0 0.0 0.0 11.93612706" Properties=species:S:1:pos:R:3:forces:R:3 energy=-547.7937591 stress="-0.010439824169727392 0.0012720910875495908 -0.0009011347570900719 0.0012720910875495908 -0.018583355719629286 -9.856594332349405e-05 -0.0009011347570900719 -9.856594332349405e-05 -0.014572169589107014" free_energy=-547.7937591 pbc="T T T" config_type=wetmd 
Cl       2.54758000       7.75565003       9.35746002      -0.32286053       0.16364158      -0.17443631
Cl       9.34818994       8.62005003       1.74876997       0.66249262       1.07928490       2.16167692
Cl       0.00377289      10.17439994       8.14983000       0.75498733      -0.12692997      -0.24386536
Cl       9.70930995       9.90628994      10.49300000       0.01992469      -0.25379275      -0.34428521
Cl       8.85985995       7.70311006       7.43962006       0.99349473      -0.12354497      -0.09993403
Cl       7.49641000      11.04680001       8.01664001      -0.41988699      -1.63756877       0.49884362
Cl       7.38435006       7.67153996      10.99230001      -0.79438124      -0.00243956       0.09738818
Cl       5.87785995       7.87779003       7.63709003      -0.14421190      -0.57979778       0.19671988
Cl       2.65695001       6.16250006       1.10367996      -0.34540867       0.15113991       0.46478774
Cl       3.04303001       2.71789003       6.34454999      -0.15971187       0.09629961       0.15339078
Cl      10.91130002       9.02853998       4.65784000       0.21302882      -0.17290374      -0.00879338
Cl       8.68940000       4.77695001       9.69667997      -0.05730702       0.55070407      -0.65353436
Cl      10.93990006       3.38047005       4.17579998       0.51973681      -0.44333502       0.20957448
Cl      10.70759999       2.47258997       0.07447296      -0.63018414      -0.87191069       0.17786542
Cl       4.36841004      10.48740005      10.30239999       0.06311730       0.79661439      -0.41939035
Cl       3.28261995      10.56730001       6.75362994      -0.01995386      -0.12472971       0.39137448
Cl       8.22994003       5.67764001       4.13033002      -0.28013302      -0.29111669       0.13493832
Cl       2.58662999      10.11859998       3.22181004       0.24782368       0.90786624       0.16683964
Cl       7.39550998       2.56940998       2.40427999       0.10526295       0.06386742       0.04056613
Cl       4.26879996       6.23921999       5.45690999      -0.82587569       0.00229236      -0.66525807
Cl       0.97873198      10.95989999       0.14467290       0.13387972       0.30513124      -1.51050715
Cl       6.60614000       1.67682998       6.39007998      -0.27894383       0.82612951      -0.82527235
Cl       7.41355000       9.66939005       4.43229004       0.35915805       0.33266502      -0.40218889
Cl       7.27275001       1.73521996      10.75790002      -0.22620190      -0.10735668      -0.05127963
Cl      10.11060003       1.04889003       9.13239002       0.40127964      -0.01969904      -1.13520622
Cl      10.12160001      11.92900000       2.32479994      -0.63706984      -0.10793597       0.27098937
Cl       3.13383995       2.62349997       2.70195005       0.30851207       0.02056240      -0.06290259
Cl       9.83928005       5.40282000       0.99436306       0.53766873      -0.13748041      -0.07061258
Cl       0.16713299       5.60154004       7.50101997       0.58209931      -0.48545488      -0.14191924
Cl       7.02861002      11.13529995       0.72870999       0.26886101      -0.48978756       0.06975457
Cl       3.92181997       3.48228999      10.51899999      -0.70385456      -0.14277589      -0.34701980
Cl       9.80911005       0.64537290       5.69460006       0.42369831      -0.44427016      -0.41086959
K        4.35408000       8.05884997      11.64930002       0.23031399      -0.35889939       0.39399014
K        0.72194304       8.75253005       1.71238997      -0.65674097      -0.90963669       0.19778736
K        1.67192005       4.75235001       4.11137999       0.25298138       0.09029902       0.13037900
K        4.14140997       0.63497200       4.65456997       0.36670417      -0.34139610       0.20647287
K        3.40421996       5.32724999       8.00914997      -0.10956661      -0.47195373       0.26792730
K        4.47742997       0.50614896       1.13369001      -0.03102816      -0.02088695      -0.59249917
K        4.83836998       8.74728998       4.12427005      -0.10447527      -0.57117895       0.18175558
K        0.76074798       1.18639004       1.91781000      -0.29973318       0.14755445       0.18630384
K        6.30847996       4.31856000      11.59230000       0.56619518       0.35126077       0.66490656
K        5.08395997       1.24802999       8.76832000      -0.38426251      -0.03395180       0.11366256
K        1.05034003       7.94080001       6.14049998       0.82017078       0.37284724       0.23968930
K        9.54580995       4.67971999       6.66653000      -0.29945378      -0.23804231      -0.11077079
K        0.86206899       0.61782301       6.21056004      -0.26063870       0.00246444       0.15923683
K        5.53971997       3.83872996       4.58124002       0.20356707       0.07183500      -0.17677179
K       10.92079999       7.29810999       9.41336000       0.15476347      -0.05492016       0.61026269
K        0.60618898       4.39998002      11.65940001       0.78326187       0.59025470      -0.23813024
Li       4.51532001       9.30831003       8.28726997      -0.30007813       0.34902686       0.12057507
Li       9.24683002       7.60788996       3.91626000      -0.15004265       0.42127307      -0.18545084
Li       8.61155998       1.22377995       0.78629798      -0.07581648       0.09474016      -0.04407204
Li       8.91155997       1.68180997       3.85136005       0.35297415      -0.31626372       0.07712155
Li       9.74337995       9.76060999       8.04134994      -0.53061962       0.40887485       0.12691589
Li       2.26582999       9.97749001       9.15481000      -0.26327039       0.25283514       0.10118086
Li       7.46901002       9.18250003       6.49195996      -0.42345259      -0.11925794       0.77537177
Li       9.18827998       2.69933998      10.09960006       0.13555275      -0.02020701       0.61413979
Li       7.29994994       6.55999994       9.09452003       0.26548240       0.35152334      -0.53733783
Li       9.50824004       4.06891996       2.78127003      -0.74981141       0.66292551      -0.59427756
Li       9.29268003      10.38840002       0.61370194      -0.24666323       0.72996767       0.57377111
Li       7.33051001      10.52669999      10.32660001      -0.06285095       0.01108509       0.21443229
Li      11.37910000      11.40299994      10.01460003       0.16784078       0.08779077       0.59928405
Li       9.44544001      10.64260002       4.40398996       0.07080592       0.47400182      -0.43424552
Li       8.38383001       0.81765598       7.26876001       0.53504912       0.66996346       0.43803507
Li       9.06069997       7.27209997       0.44467289      -0.70619912      -1.41729701      -1.54708012
64
Lattice="11.02223245 0.0 0.0 0.0 11.02223245 0.0 0.0 0.0 11.02223245" Properties=species:S:1:pos:R:3:forces:R:3 energy=-539.36822318 stress="-0.05226309156738883 0.0012775372848581265 -0.00016641893692523416 0.0012775372848581265 -0.07189886518408996 0.0007980722620715451 -0.00016641893692523416 0.0007980722620715451 -0.06549169537725913" free_energy=-539.36822318 pbc="T T T" config_type=wetmd 
Cl       3.47365997       6.01708001       0.88750498       0.32272232      -0.02908261      -0.58592826
Cl       7.91622003       7.44411004       2.78959995       1.19748393       1.71690882       1.26029755
Cl       6.76827998       7.41359003      10.94079998       0.71406714      -0.20192725      -0.81380675
Cl      10.40920002      10.34200000       3.20232998      -0.35081522      -1.39388925      -0.93835884
Cl       9.49871997       7.24574998       5.27186004      -0.02807753       1.19081732       0.34921775
Cl       7.62655003      10.46569998       8.67386999      -0.05976040      -0.60575059      -0.35540536
Cl       7.91389996       5.03224002       8.65241996      -1.64350619      -0.49601693       1.18378810
Cl       6.78616995       5.01572000       5.13069004       0.31517227      -0.21321296       0.42062222
Cl       2.60569995       6.99362997       7.81450996      -0.12726453       0.21127452      -0.25900316
Cl       9.61136002      10.51290005       6.14958003       0.98604429      -0.61517709       0.68720069
Cl       2.79051997       8.68847004       3.10876004      -0.26191113       0.12142303       1.05470397
Cl      10.50360004       4.85429004       6.33899996       0.37428775      -0.69168235       0.18248124
Cl      10.09670000       4.55733997       3.02406003       1.20537227       0.54949992       0.43230605
Cl      10.09150004       4.86970000       0.01716757       1.11004028       1.16292416       0.18007690
Cl       9.37405004       7.83671998       8.47883005       1.60308677      -0.41741218       0.43756562
Cl       4.35906003       9.68971002       0.59856751      -0.20909787       0.59227922      -0.72967432
Cl       7.98557996       2.07015999       6.35152001      -1.46311276       0.40568611      -0.64000782
Cl       3.60931004       2.29002002       1.56733004      -0.07193233      -0.13776182      -0.85837583
Cl       8.04163000       2.05321000       2.99377997      -1.09330139       0.84131331       0.06490809
Cl       3.37093001       3.31063002       8.46690002      -0.15726983      -0.59581429       0.67459586
Cl      10.40330004       2.55958998       8.39919001       0.18982903      -0.46710617       1.04417215
Cl       6.98538997      10.42179997       4.14144005      -0.89196544      -0.59907156       0.39240245
Cl       6.30990006       7.52180002       7.01519000       0.75058608       0.00083246      -0.02894066
Cl       3.31570995      10.54809999       7.55058999      -0.25053012       0.26277740      -0.07288236
Cl       7.47353995       2.14168998      10.19199999      -0.77580994       0.45090088       0.66164469
Cl       0.11296752      10.58770000       9.89571003       0.33537092      -0.76015515      -0.31099925
Cl       2.77800996       4.23310998       4.53385997       0.12713278       0.06409194       0.13467262
Cl      10.35499996       7.95451997       0.63736754      -0.70322345      -0.78287034       0.03521250
Cl       0.00196758       1.91443998       4.31998997      -0.38714613       0.24886526      -0.46108995
Cl       8.15069003      10.35369999       0.67886756      -0.69964270       1.39125923      -0.64369936
Cl       7.41345005       5.04414998       1.67441996      -2.05559671      -2.20489966      -1.15887226
Cl      10.33439995       1.98049997       0.63066756       1.67631467       0.03899136      -0.16248608
K        5.35794996       7.44553003       2.59490004      -1.03420173       0.02679171      -0.34588068
K        1.91037002       8.43186002       0.36056753       0.33575935      -0.02358277      -0.33671952
K        1.33398001       6.68036996       4.57796995      -0.66376045      -0.00543142       0.22956762
K        5.93990003       0.56256758       1.62541996      -0.03171204       0.60612857       0.47426054
K        4.83139995       8.22925000       9.23411001      -0.41621786       0.35475468       0.03545272
K        2.51284999       0.88697205      10.18880001       0.02614895       0.33980730       0.07940021
K        4.54713999       8.95760000       5.56284003      -0.15599665       0.46382279      -0.68125161
K        1.87403997       0.47696760       2.92869005       0.50842809      -0.26876708      -0.18803770
K        5.22519996       3.70490002       3.28402004       0.53932709      -0.08674426      -0.15371846
K        5.46593995       4.32614004      10.34470001      -0.01337891       0.48095455       0.49012603
K        5.35218004       1.00138999       8.62787003       0.32980764       0.51979595      -0.23846770
K        0.83014098       9.24164999       7.50529004      -0.50239075      -0.27048451      -0.39898365
K        1.37344004       2.49380996       6.39248005       1.00252554       0.06017297       1.01381619
K        4.52729997       5.15552997       6.81814996       0.36991395       0.13892283      -0.43055645
K        0.89188598       5.02521996       8.96305998       0.38507568       0.15719456      -0.32515528
K        1.51968997       4.31272995       1.72633004      -0.23960981      -0.65694313       0.13252035
Li       8.37105995       6.28525005       7.16374005       0.32053416       0.96122076      -1.84281144
Li       8.84593002       0.84900796       4.62068000       0.07804355      -0.43469118       0.06405205
Li       9.32061998       6.12009005       1.73334999       0.36887909       0.71511205      -0.50231089
Li       8.92488998       9.04409003       1.89846998       1.13959747      -0.68546756       1.00153304
Li       9.25279005       0.64606760      10.04880002      -0.16525734       0.06640962       0.66432660
Li       8.52164999       8.80765003      10.31090000      -0.22638124       0.18535969      -0.44389659
Li       8.38356996       8.82486995       6.98777000      -0.90503313       0.64763659      -0.77036563
Li       8.97125997       3.67300002       9.90779999      -0.09851122      -1.26317537      -0.80491723
Li       8.80921000       3.74669004       7.28963996       0.66658975      -0.17056430      -0.51349090
Li       8.28483005       5.40679002       3.66244998      -0.44921145       0.83428047       0.69251965
Li       8.91528995       9.19949998       4.35564006      -0.25877946      -0.44018523       0.16140571
Li       9.29759002       0.73253900       1.88289005       0.26683732      -0.69415055       0.50949238
Li       8.73882004       3.28056005       1.30227004      -0.10488698       0.36071660       0.31280817
Li       9.33486005       3.28452001       4.57125002      -0.10584498      -0.03496595       0.74984510
Li       9.10552002       0.92549200       7.76682998      -0.09866996      -0.51129028      -0.44703489
Li       8.96841006       6.54958004      10.09010000      -0.54517052      -0.41065281       0.63613407
64
Lattice="11.67418395 0.0 0.0 0.0 11.67418395 0.0 0.0 0.0 11.67418395" Properties=species:S:1:pos:R:3:forces:R:3 energy=-548.36345389 stress="-0.01844276455940656 -0.0005532897300407295 0.002554565206397999 -0.0005532897300407295 -0.017182888947820055 -0.002123865294140235 0.002554565206397999 -0.002123865294140235 -0.019711709657971813" free_energy=-548.36345389 pbc="T T T" config_type=wetmd 
Cl       3.93814003       4.36817003       3.67062003      -0.01550260      -0.38109123       0.07309506
Cl       6.37036998       3.62843000       1.28514005       0.55679547       0.59048720      -0.34503811
Cl       6.33843000      10.27109997       6.63256001      -0.34534341      -1.26122164      -0.51695589
Cl       0.07061609       9.95372000       1.76597003      -0.57566719      -0.54252236      -1.21742646
Cl      11.22369996       7.03766003       3.69637001       0.51781475       0.15814853      -0.25163187
Cl       8.92324994       9.58732002       8.77821000      -0.74572638      -0.41297697       0.49108339
Cl       6.67260001       2.76025001       6.09098995      -0.86503580       0.21877014      -0.17730986
Cl       0.32171599       0.26851604       4.05832995       0.30014453       0.62114300       0.66621586
Cl       0.48472403       7.91500006       9.23896996       0.87144293       0.64193830       0.52586987
Cl       3.24687004      10.09030002       4.02283997       0.50745852      -0.17748766      -1.73727816
Cl       2.88874004       0.83248898       6.70132994      -0.28296108       0.31591676       0.76553838
Cl       8.56799997       4.05824999       3.88400999       0.83462526       0.28835450       0.03088375
Cl       9.52724000       5.16169000       0.58696805      -0.41549269       0.21369507       0.38950616
Cl       0.86388996       4.73847001      11.35760004       0.88918419      -0.91808847      -0.57210957
Cl      11.46660003       9.56087998       6.57423999       0.05474521       0.56835740      -0.45595784
Cl       5.03645006      10.39629999      10.22110002      -0.41203525       0.11322339       0.09853675
Cl       6.81587003       0.79304097       3.14755997      -1.54334626       0.55225757       0.75094063
Cl       2.69414004       1.40541998       1.06608998       0.25174647      -0.72314580       0.38388444
Cl       8.47461000      11.22160000       0.36511606      -0.87305155      -1.90947670      -0.54960434
Cl       4.29606000       3.06292996       9.38322003      -0.57633028      -0.19143364      -0.10464927
Cl       0.11461609       3.56464996       5.53265004      -0.40595180       0.05551754      -0.27857179
Cl       8.61506001      10.16980004       4.24140999       0.94756850      -0.98250381      -0.33962902
Cl       8.90946997       6.74732004       6.05900000      -0.43616117       0.46705666       0.34432134
Cl       3.22126003       6.69002000       6.71153003       0.27021813      -0.08697993      -0.23128763
Cl       9.27997997       4.06184003       8.09589002       0.76656100       0.15857229       0.74846618
Cl      11.24059997       0.63049501       9.71636995       0.17332593      -0.18903535       0.12542684
Cl       7.19336002       7.06799003       2.87897004      -1.20223872       0.79192722       0.32208323
Cl       6.32806998       6.83386999      10.73030003       0.52038942       0.15965329      -0.04757367
Cl       9.37976003       0.80372799       6.60062003      -0.19298309       0.07500205      -0.65454992
Cl       3.45202000       7.78487995       0.75330299      -1.38284123      -0.80903478       0.12055201
Cl       9.93345000       1.48281002       2.02446005       1.01507440       2.33849872       0.23934938
Cl       7.84413998       1.90774996      10.19429995      -0.26516950       0.45475498      -0.42574240
K        5.83587004       0.75951400       8.04590000      -0.13765006       0.74586080       0.81044358
K        0.16331600       7.06870998       0.77257403       0.16645910       1.07951811       0.12330121
K        0.15561605       6.63758003       6.58325001       0.03918780      -0.34831592      -0.03122562
K        3.91351999       1.44034004       4.15468003       0.18418193      -0.30254478      -0.37652070
K        5.45388000       9.12523002       1.77445004       0.87425398       0.93482414       0.37774812
K        2.56096001       0.84076305       9.81616998      -0.33580769      -0.31972715       0.03880503
K        9.82883005       6.63345005       9.67793001      -1.04923584      -0.49911988      -0.11162279
K        2.87498996       9.80952002       6.58158002       0.03707821      -0.98282872       1.20961472
K        2.81095005       6.96450995       3.62506001      -0.35521912       0.53243911      -0.08708665
K        5.85065002       1.00806999       0.43482599      -0.40358609      -0.35630606      -0.39371391
K        6.54518003       4.38660999       8.69978995       0.52090232       0.48150175       0.23776833
K        3.75226005       4.07492994       0.30685604      -0.28518349       0.82384176       0.19350628
K        2.71910003       3.64008002       6.77255998       0.17968806       0.48542538       0.15412519
K        3.44355003       7.50159000       9.56491002       0.21478309       0.02722900       0.21581984
K        6.09430005       5.80968998       5.35454005       0.03278848       0.09495049       0.02945006
K        0.89892699       3.31261005       2.28843004      -0.56451230       0.10044645       0.39067977
Li       9.12297001       6.41723996       3.11214995       1.16552210      -0.77922836       0.60574801
Li       7.48250003      11.66202284       5.38698996      -0.04384543       0.44043380      -0.12799121
Li       7.59268004       6.21111999       1.01202999      -0.59047644      -0.74903804      -1.16650627
Li       8.90796003       9.13650004       6.47373998      -0.17110276       0.09849972      -0.06480581
Li       9.36319997       1.82191004       8.51064004       0.27486465       0.15507287       0.64915514
Li      10.64139995       0.08221602       0.53991606       0.41387130      -0.46889965      -0.62351823
Li      10.04390004       2.13129004       4.47934002       0.14200245      -0.01522892      -0.03007020
Li      11.01539994      10.08610000       8.99208000       0.35410626      -0.07627672      -0.12905482
Li       9.27185999       4.52044996       6.04607002       0.17686977      -0.11489570      -0.70779983
Li       6.63383005       3.15905005       3.40893001      -0.12783958      -0.31768828       0.32777838
Li      10.96679997       9.73147004       3.93820003      -0.06466574      -0.03662058       0.22094491
Li       1.84051005      10.93560001       2.40952005       0.33886378       0.47614537       0.24283114
Li       8.66091001       2.89794000       0.47931608      -0.07176915       0.22026572       0.07873542
Li       8.62122001      11.65730004       2.52465995       0.04620073      -1.20620313       0.06968375
Li      11.50339998       0.33359202       6.29189997       0.52234136      -0.24759651      -0.05760490
Li       7.15138001       9.71267005      10.39889995       0.57567161      -0.07421238      -0.23905541
64
Lattice="11.97326804 0.0 0.0 0.0 11.97326804 0.0 0.0 0.0 11.97326804" Properties=species:S:1:pos:R:3:forces:R:3 energy=-546.57975123 stress="-0.008202499249700698 -0.0019966045930708415 -0.00029299688555285653 -0.0019966045930708415 -0.018051235334815344 -0.003975740856098255 -0.00029299688555285653 -0.003975740856098255 -0.010851416219841523" free_energy=-546.57975123 pbc="T T T" config_type=wetmd 
Cl       0.63333595       5.02743001       3.40020997       0.68225835       0.13362729       0.78609675
Cl       5.17622996       5.61123004       3.76632005      -0.95049232       0.20143935      -0.23554231
Cl       9.44836994       8.92356005       5.56408997      -1.35132124      -0.11783045       0.52465822
Cl      11.66799999      10.77519997       1.02307995       0.21212031      -0.13325636       0.23089087
Cl      11.40239998       7.86876997       2.92868004       0.42805273       0.78315763       0.09929052
Cl      10.86060002       9.97615004       9.57822003      -1.36234808      -0.10018378       0.35415607
Cl       7.22741996       3.77834996       7.10505004       0.53741859      -0.41207133      -0.36394153
Cl       0.79227198       2.44954996       1.76421998      -0.00759306      -1.09765567       0.00469029
Cl      10.02049998       6.97609998       8.14934998      -0.38177970      -0.69313749       0.51162490
Cl       0.24935696       0.06993191       4.74238997       0.72373400      -0.26724129       0.46469806
Cl       3.66707004       1.49657002       6.21379002      -0.04807712       0.43581012      -0.05156288
Cl       9.73652005       2.31284003       3.96866996       0.34486130       0.00062470       0.20466135
Cl       6.56103000       5.61148998      10.95600003       0.27860482       0.18406577       0.14312840
Cl      11.56120000       5.63131005      11.75219996      -0.05572904       0.25328378       0.25215977
Cl       0.86080601       8.03453999       6.25439006      -0.21251756       0.13995401       0.19446285
Cl       1.95457997       9.88499994       9.36980998       0.80380967       0.16614181      -0.12738660
Cl       5.69140999      11.11500000       4.10725994       0.48204903      -0.51800304      -0.05715466
Cl       4.84415999       1.51655999       0.32860598      -0.56676482      -0.33933285       0.85708096
Cl       8.63480996       9.24417998       0.48034297      -0.37346656      -0.84264125      -0.21486649
Cl       3.10454999       4.62251001       9.90212998       0.68368422      -0.19009417      -0.06246374
Cl      11.69849998       3.42777997       6.90909997      -0.14220079       0.05351403      -0.47561932
Cl       9.34716996      11.20789999       3.03729003       0.35306085       0.36987620       1.83010090
Cl       9.27336997       5.71838001       4.79065996       0.10740019       0.05401167       0.56990402
Cl       4.59640997       7.97466000       6.43588002      -0.27321324      -0.08734839       0.20872772
Cl       9.56467000       3.69682996       9.67129998      -0.46411055       1.18084696      -1.02946510
Cl       0.10613201       0.98397203       9.84912001      -0.68418765      -0.11902613       0.06986646
Cl       8.73759005       5.31556000       1.61197999      -0.28524609      -0.23922397      -0.11064644
Cl       7.06691997       8.98571005       8.88446996       0.32005349       0.67910017       0.30651181
Cl       9.02944996       0.14257396       6.85911996      -0.02054433      -0.33242322      -0.13157517
Cl       3.47411005       8.23042002       0.85557405      -0.14410497      -0.12096049       0.10565303
Cl       9.42044002       1.68762998       0.43268505      -0.02231545      -0.11144963       0.25612228
Cl       8.05970995       0.41078594       9.89190002      -0.21787319      -0.83649355       0.13330052
K        7.36615996       3.90095000       3.81756995      -0.23027192      -0.67355844       0.14387663
K        0.64752799       8.40536994      11.51959996      -0.05709942      -0.20455441       0.42731998
K        2.66762005       7.99714005       3.87258005      -0.16146040      -0.07392791      -0.14236553
K        3.20018000       0.69884002       3.42234004      -0.12256017       0.16469948      -0.25380545
K        6.19228005       7.21572004       1.46653999       0.17614066      -0.11834945      -0.72387668
K        1.85840997       0.06783192      11.79890002       0.94398175       0.15469289      -0.11649069
K        6.77790995       6.34571005       8.21690005      -0.26152354      -0.26781537      -0.43373444
K        5.26977004      11.11190000       6.91011997       0.04145663      -0.24897356       0.83008475
K        2.96197997       4.68685005       5.80606995       0.01498096      -0.08418290       0.24514896
K        7.18773995      11.54830000       1.66061002      -1.42147988       0.91775917      -1.52904117
K        6.25640001       2.63039995      10.13840003       0.04287380       0.58611579      -0.34493981
K        2.71878997       4.61789995       1.07340995       0.11723569       0.15241385      -0.21605513
K        0.56351599       3.64859996       9.87935000      -0.34236986       0.52259614      -0.10724186
K        3.39080005       7.35866996       9.42606997       0.41132931       0.53066955      -0.08070334
K        6.77110003       7.92413999       4.58820002       0.33157875      -0.02427675       0.26587087
K        1.37573999       0.19053193       7.52576003      -0.02681851      -0.15845412      -0.29407281
Li       9.31102003       4.90197998      11.44450003      -0.11568169       0.13553524       0.32692075
Li       8.97969995       7.98526999      10.30510001      -0.18547117       0.37810375      -0.20922103
Li      11.80589995       3.19621002       4.42789999      -0.05813521      -0.11438662       0.23080097
Li       8.70099005      10.56450003       8.67600998       0.02698039       0.28704160      -0.01864718
Li      11.36570000       0.30363501       2.79104002      -0.24048169       0.46315967      -0.83378903
Li       8.27530002      11.04680003       5.10402995      -0.03780508       0.04680872      -0.34779934
Li       9.79176997       9.24021001       2.56327003       0.23139967      -0.69388481      -0.82584652
Li      11.26230005       8.72593001       7.88952994       0.65868856       0.01218720      -0.44920282
Li       9.57899997       4.85850001       7.47503995      -0.10121945      -0.42313612      -0.08027546
Li      10.83819995       6.95778998       5.73792003       0.20687119       0.16472671      -0.22437077
Li      10.96509995      10.11239996       4.94344999       1.26567680       0.71876221      -0.56509644
Li      10.39210005       3.04715002       1.86703000       0.11813618       0.04633522      -0.21769227
Li       9.88574001       1.71377001       9.95890003       0.20187397      -1.29961289       0.61744733
Li      10.63220000       5.85292003       2.58472002       0.14017887       0.12842095       0.15917712
Li       9.87363001      10.93309996      11.54160000       0.13965787       0.63609026      -0.17493424
Li       9.66440002       2.22117005       6.54073998      -0.09988482       0.26191447      -0.30500687
64
Lattice="11.96950963 0.0 0.0 0.0 11.96950963 0.0 0.0 0.0 11.96950963" Properties=species:S:1:pos:R:3:forces:R:3 energy=-547.38548425 stress="-0.006217010097817052 0.0005809186752052749 -0.0019351003689293132 0.0005809186752052749 -0.015871577627504477 -0.0009582392540676375 -0.0019351003689293132 -0.0009582392540676375 -0.01646555358973317" free_energy=-547.38548425 pbc="T T T" config_type=wetmd 
Cl      11.84339995       4.51533999       4.26580995       0.33735233       0.34915414       0.21552247
Cl       4.24815995       4.91373004       2.23386994       0.19108621       0.34053491       0.19316844
Cl      11.09749997       7.13923999       6.69833999       0.77567322      -0.17082371       1.00693023
Cl      10.27280004      10.29729995       5.50454000       0.86399570       1.45467468       0.02399423
Cl       8.01046996       7.83253003       5.03979997      -0.68515315      -0.28071331      -0.25987374
Cl       8.20140997      10.63830003      11.38550002      -0.49455798       0.11228689      -0.01074803
Cl      10.50089999       1.90496996       6.43021999      -0.68182842      -0.74802122       0.94384194
Cl      10.50520004       1.48653003       3.53601997      -0.25228503       0.11888527      -0.77552247
Cl      11.72519997       4.57019003       0.58950003      -0.49300104       0.43380515      -0.07094533
Cl       2.76555999       0.28009036       6.85553999       0.74231146      -0.25280368      -0.19082636
Cl       3.85633003       4.26237996       6.50021002       0.26693831      -0.24273507      -0.18416483
Cl      11.53669994       0.94620003      11.91260000       1.38645838       0.95216344      -0.58302464
Cl       7.20069995      10.78830001       7.59384005       0.32750894       0.39192206      -0.59271063
Cl      11.48209995       3.87719995       8.69668996       0.35791076       0.35156487       0.52736090
Cl       3.94826005       7.96411001       6.80733004      -0.71563634       0.19084472      -0.49951832
Cl       8.54016002       1.44681998       9.10521998       0.84685426      -0.25171170       0.38649705
Cl       3.70741006      10.82250001      11.12049998      -0.32782987      -0.72534072      -0.28730858
Cl       2.68295002       1.17158003       2.95574999       0.85295616      -0.06676059      -0.30906307
Cl       8.47418995       7.60644000       8.70852996      -0.03626667       0.51536770       0.39111614
Cl       3.90602001       2.50559995      10.63859998       0.24906778      -0.27899076      -0.60731960
Cl       8.27805995       4.51029999       6.73939996       0.35911674      -1.03379129      -1.04579018
Cl       3.46167998       9.23054003       3.08835995       0.12431021      -0.88426356      -0.77425661
Cl       8.84134005       4.85230000       2.93186005      -0.33374574      -0.51074726       0.70132298
Cl      10.99390004       8.01434999       3.45619004       1.27337419      -1.09665938      -0.35632956
Cl       8.57496999       4.62286006      10.17269999       0.27521175       0.59232455       0.19059020
Cl      10.61169995      10.74840001       1.76218005      -0.22205134      -1.39856477       0.73400355
Cl       8.58453003       7.51278996       1.10620006      -0.16304706       0.21906795      -0.53108685
Cl      11.40790000       7.85282996      11.65060000       1.46216717       0.21822287      -0.40938148
Cl       7.54403995      11.23090004       3.76040997      -0.92780296       0.10877995      -0.44499794
Cl       4.59785994       6.17390000      10.24150001       0.05271080       0.49754903       0.08330098
Cl       8.62553003       2.25041994       0.57141194      -0.68609738       0.25249628      -0.10282390
Cl      10.74629996      10.65029994       9.05758001       0.61576389      -0.11497687       0.04894858
K        5.13033004       2.82714000       4.35617998       0.03102161      -0.07859870      -0.38689854
K        2.46682999       7.49989006      11.95184072       0.02265170       0.07746277       0.10959199
K        4.62356997      10.48050000       5.18865998       0.73741519       0.35760951       0.62615854
K        1.47652005      10.70089997       1.64389999      -0.26937017       0.38474568      -0.23821830
K        6.15295001       7.37471005       2.49179001      -0.12627985      -0.08492757       0.42115268
K        1.71746005       0.22117595       9.42000994      -0.44127467       0.42878211       0.96577566
K        2.74325002       6.38027002       4.64202995      -0.51056861      -0.08386515      -0.19205232
K        5.92793005       1.43906996       8.42634004      -0.95591830       0.07338874       0.01182873
K        0.91495805       9.92415001       6.80964003      -0.14316309      -0.67849907      -0.12415873
K        5.40989996      11.51029999       1.27955997       0.46297547       0.19707913       0.23593380
K        6.20421003       4.15444000      11.80800001       0.14141775      -0.06945358       0.21830518
K        2.27075004       3.35832996       0.75509304      -0.15325311      -0.54159109       0.51605596
K        2.44003002       4.70543998       8.94644994      -0.33415727      -0.07931848      -0.03187362
K        5.48388997       9.01973003       8.79145999      -0.13420233      -0.14196827       1.36145295
K        6.30868003       6.20120006       7.26042003      -0.89658812       0.45662775       0.14396728
K        1.10466999       1.87890994       5.19512004      -0.26936763       0.52626444      -0.08443093
Li      10.37769998       6.21797999       2.07123997       0.22355581       0.48107104      -0.20411305
Li       9.59901995       5.46359997       8.16332000       0.88433212       1.55620777       0.28511098
Li      10.38900004       3.14632002      11.13670000      -0.04882649       0.02416598       0.04631541
Li       8.54608995       9.88049003       9.31666005       0.09374295      -0.11233389      -0.17057899
Li       9.63390005       0.61814797       1.55761000      -0.01236769       0.44114491       0.35633588
Li      10.29419997       6.33927003       4.88626995      -0.27174718       0.00891171      -0.63481083
Li       9.69990005       6.69012999      11.16100002      -0.79903785      -0.53583792      -0.37760050
Li       9.93031000       0.26263103      10.71740005      -0.88352546      -0.24866126      -0.45019243
Li      10.80930003       3.52023996       2.41578997      -0.35847286      -0.30658082       0.06877230
Li       9.50469004       8.70194996       6.49345000      -0.77725488      -1.13186604       0.82877004
Li       9.32240996       3.40614001       8.40000999       0.03680501      -1.39741951      -0.06697449
Li       9.67533000       3.55315001       5.03233998       0.22536016      -0.16104524      -0.37995830
Li       9.93542002       9.36558004       0.21309043      -0.40211512       0.01132509       0.22501363
Li       9.24135005       9.24057000       3.35660001      -0.34666008       0.50633137       0.02845765
Li       9.12068997       0.09247392       5.08251006       0.18477681       0.74832133      -0.67272419
Li       9.79997999      11.92020004       7.50688994      -0.25136909       0.32978668       0.15468099
64
Lattice="11.07169043 0.0 0.0 0.0 11.07169043 0.0 0.0 0.0 11.07169043" Properties=species:S:1:pos:R:3:forces:R:3 energy=-536.83077193 stress="-0.04941690419903049 0.002347343308581126 -0.000999453243301252 0.002347343308581126 -0.06432133968385018 -0.0020177198556210517 -0.000999453243301252 -0.0020177198556210517 -0.0680088584213599" free_energy=-536.83077193 pbc="T T T" config_type=wetmd 
Cl      11.02359999       6.48421001       5.84535000       1.54639875       0.32581602       0.87066805
Cl       2.00818000       6.27413000       2.27702002       0.21645930      -0.17877655       0.33863405
Cl      10.98659995       7.94995003       8.92625003       1.85644165      -0.25689296      -0.61851051
Cl      10.99740005      10.11130000       6.28134000       1.14645096      -0.34196023      -0.69092887
Cl      10.11639996       8.60339998       3.27585002       1.86426365       0.33205018      -0.20156375
Cl      10.12799999       6.41078002       0.30860953       0.80225030      -0.31640337       0.71324730
Cl      10.77550001       2.44747999       5.94949996       1.21651706       0.44898575      -0.43013985
Cl      10.58330001       1.19262002       2.89732000       1.15160000      -0.54372828      -0.00045434
Cl       9.96345994       2.97371001       0.41530952       1.38190605       0.66771976      -1.12680366
Cl       3.93064995      10.81339996       6.13429001       0.26806982      -0.17840685       0.72392414
Cl       3.65580996       4.43412998      10.12329995       0.51900561      -0.41787039      -0.54876991
Cl       7.54014005       1.39855003      10.68360000      -2.11401447      -0.47414223       0.30596121
Cl       8.15279004       0.75314897       4.94983005      -0.06837623       1.91298699       0.99128822
Cl       9.97708001       4.49027994       8.48169000       2.01374451      -0.22909098       0.32611377
Cl       8.16212005       8.14509002       5.52314001      -1.35344689       0.33204478      -1.05740226
Cl       7.73604996       2.20288996       7.70916003      -1.07034589      -0.06119951      -0.31097620
Cl       7.60659001       8.06608000       0.01550956      -1.34516540      -1.18430115      -1.21259489
Cl       4.02874003       2.20815997       3.55375997      -0.80416975       0.87664632       0.02246231
Cl       8.36644998      10.01619994       7.86504002      -0.98857524       1.10669259       0.76175158
Cl       3.01643999       0.95347405      10.52769997       0.58339850       0.17441990       0.15617167
Cl       8.01059001       4.89096996       5.61588003      -0.41681515      -0.55464254       0.77863005
Cl       3.80765996       9.45453995       2.60744000      -0.07530005       0.27293651       0.21761596
Cl       7.31898004       3.59625998       2.14246997      -0.67430758      -0.55833042       0.90582999
Cl      10.37090003       4.58946004       3.40439999      -0.05077804       0.21618893      -0.20576475
Cl       8.11482998       7.15769995       8.18769001      -2.01117907       0.32709083       0.67481559
Cl       9.81851004      10.19849997      10.95400002       1.76250939       0.31100739       0.87051526
Cl       7.56065002       6.67089001       2.80295997      -1.23793005      -0.33878464       0.22476419
Cl       4.08535003       8.11108000       9.36721000      -0.66290139       0.91131306       0.41890422
Cl       7.94898004      10.54370000       2.36087003      -0.76476670      -0.09369302      -1.02485717
Cl       4.57208999       6.56082002       5.86762004      -0.53966680      -0.84029763      -0.19767100
Cl       7.21845994       4.65549005      10.05880004      -0.29322077      -0.63775820       0.75972016
Cl      10.74110005       0.97123205       8.65997001       1.38542376       0.88811112       0.28746262
K        5.00327997       1.72185003       7.92471998       0.09886284      -0.02064683       0.56081470
K        1.49851997      10.14210001       1.07503003      -0.82639497      -0.29495529       0.39538275
K        2.57220003       8.32638994       5.18835002      -1.39821891       0.32242835      -0.37275396
K        1.79172004       0.73270953       4.73891003      -0.88415842      -0.06636375      -0.42168614
K        4.70464005       6.77499999       2.80782000       0.38771685       0.43665901      -0.66533306
K        1.48690998       3.00713999       9.18065999      -0.99338149      -0.13802456      -0.00136185
K        1.89059001       6.39267005      10.43619998      -0.88942887       0.95450442       0.22850655
K        5.71528997       9.84242002       0.30340960      -0.52450787       0.91499012      -0.02359616
K        1.90389995      10.09679997       8.78464001      -0.42217630      -0.30947772      -0.75187314
K        5.85453995       0.14300959       3.80187999      -0.92440717      -0.41836202       0.23188197
K        5.61626001       4.50056001       4.29647997       0.49265132      -0.57119386      -0.18386761
K        1.53848003       3.32195996       1.95719996      -0.17161972       0.06865411      -0.12606495
K        5.00130998       2.75380997       0.78412103       0.59848376      -0.36984242      -0.07879344
K        5.80047998       8.74644002       7.06353001       0.65699069       0.75878411       0.18343441
K        5.50470000       5.99611000       8.50343004       0.26150629      -0.52241913      -0.11593579
K        2.03726002       4.55121997       6.10381994      -0.36652602       0.09871794      -0.41238621
Li       9.29275997       6.48336004       4.72509001      -0.65153163       0.07676648      -1.25212156
Li       9.26638997       5.99679999       7.11867002       0.81759628      -1.02012229      -1.01344578
Li       8.69717997       2.91438004       9.51429995       0.01116582       0.44564116       0.62160506
Li       9.20896997       0.90154804       1.02835998      -0.12324454      -0.45109706       0.38767645
Li       9.18505002       8.75640001       9.59374996      -1.01951969      -0.27878872      -0.09634833
Li       9.30051004       2.87815003       2.41009000       0.32026029       0.14027565       0.05576155
Li       8.94301003       5.93208994       9.57470001       0.02122854       0.24919668       1.27315381
Li       8.95934996       0.43680952       9.46073002      -0.79908499      -0.85092589      -0.19599106
Li       8.55013995       4.98898996       0.81885005      -0.43464114      -0.19638383       0.32762061
Li       9.72658998       8.26155999       7.00630997       0.75258270       0.80684156       0.12659464
Li       9.19083000       3.42561003       6.89751998      -0.19478900       0.39009564      -0.12232876
Li       8.99214995       3.18014999       4.63119998       0.15763321      -0.56884493      -0.30912825
Li       9.56149004       6.77419995       2.46266005       1.35097564      -0.86898714      -0.65950485
Li       8.87785999       8.83594999       1.39228002       0.49069971       0.44975821       0.77407871
Li       9.16030003      10.01009999       4.94032002       0.55332938      -0.68117033      -0.74655952
Li       9.29262002       0.78940953       6.91392003       0.40846762      -0.38343886      -0.33947394
64
Lattice="12.73481057 0.0 0.0 0.0 12.73481057 0.0 0.0 0.0 12.73481057" Properties=species:S:1:pos:R:3:forces:R:3 energy=-544.15459986 stress="0.004907047661246213 -0.0018860463139770214 -0.0010934082655164907 -0.0018860463139770214 -0.005047642067053685 -0.00130603158405543 -0.0010934082655164907 -0.00130603158405543 -0.0036559295610463075" free_energy=-544.15459986 pbc="T T T" config_type=wetmd 
Cl      10.58830005       4.86495997       6.27861004      -0.03212084       0.02249886      -0.62367743
Cl       1.50805996       3.74316006       7.39297995       0.44731203      -0.10474357      -0.41116970
Cl      12.06620003       5.82786001      11.73350005       0.69469432       0.53130039       0.58748619
Cl      10.32280001      11.94060003       3.79828002       0.32512996       0.07262449       0.22692252
Cl      10.99739998       9.17512003       0.64938097      -0.15908798      -0.05180342       0.03741290
Cl       7.68474006       8.83886997      11.16380002      -0.21819886      -0.22568990      -0.22018857
Cl      10.07889999       1.26226003       7.08397996       1.64357129       0.01763676       0.83185779
Cl      11.16540002       2.48281000       2.92973996       1.59417889       1.06550432       0.58338285
Cl      11.46590004       1.31890995      12.17730005       0.00642332       0.23668077      -0.02567283
Cl       1.57867003      11.28829999       3.54860005       1.33505125       0.38735441       0.56418497
Cl       4.24112006       6.42128996      12.16149997      -0.27453465       0.16195622      -0.05561203
Cl       7.67404995      11.02450004       7.87365003      -0.64609527       0.46108636      -0.76765143
Cl       7.01049004       2.25523995       6.36150996      -0.08751926       0.22011229       0.25540843
Cl       5.50933006       7.56494994       4.90490997      -0.67602493       1.23545474      -0.37568194
Cl       5.92597995       4.66134003       3.15066994      -0.75010625      -0.47908461       0.35766385
Cl       7.44122005       1.62045995       9.75654997       0.03438881      -0.18830735       0.16428457
Cl       7.05054000       5.81873005       7.20225999       0.03073112      -0.34526962       0.64043887
Cl       4.21198002       2.11667999       1.13956994      -0.33922597      -0.52091727      -0.12723887
Cl       9.83337004       9.05331997       5.26333006      -0.32515785      -2.63424687      -0.41704060
Cl       2.15588996      10.89900001      12.09279999       0.77858260       0.64200292      -0.24702161
Cl       0.29966894       6.62131996       2.42744999       0.86961460      -0.16230757       0.58047202
Cl       8.27047003       1.58269003       3.16380998      -0.73688949      -0.14276890      -0.49331477
Cl       6.68663999      11.25280005       4.62282997      -0.29673858      -0.20197736      -0.00993690
Cl       9.05887999       6.12684000       3.03060004       0.52372661       0.06586479       0.37632460
Cl      10.33009998       4.25130002       9.48296994      -0.17567492      -0.66742844      -0.19583307
Cl      10.39540002      11.16820003       9.81127998       0.76708699       0.95358383       0.06151948
Cl       7.46235996       9.34282004       2.15140005       0.11275282       0.19958222      -1.35494680
Cl       2.90342003       0.88771996       7.74003003       0.10635429      -0.97854305       0.15545843
Cl       8.30613998      12.28429996       0.27481798      -0.00681353       0.18046558       0.07208924
Cl       2.44345994       7.85559003       7.47696004       0.09176790       0.22277570       0.27079855
Cl       8.79922994       4.79016003      12.57450006       0.59928728       0.39514453      -0.16399421
Cl       9.82975997       7.90400001       8.48435996       0.37312841       0.15833817       0.70878848
K        4.59653003       3.32177995       7.91146999       0.53138393      -0.00309678      -0.00100330
K        4.72685006      10.20280002       2.50066000      -0.14202760      -0.11710634      -0.01932187
K       12.23630004       9.60635001       3.88902000      -0.76946152      -0.92096201      -0.50773126
K        2.80767998       5.73251003       5.53149996       0.14121632       0.27200493      -0.39326009
K        7.07469998       2.64717998      12.58242162      -0.27057201      -0.50238026       0.42185545
K        0.15388949       5.58439998       8.91876995      -0.63500182       0.99793906      -0.17052769
K        2.64860004       4.65799001       1.08631997      -0.07293360       0.08145436       0.20473431
K        6.82875003       6.47969995       1.11022995       0.04701793       0.33370726      -0.13212002
K        0.37993301       1.53118994       5.50270999      -0.45653378       0.06962917      -0.01977907
K        5.61489005       1.09982001       4.22377996      -0.33098185       0.73572565      -0.45155325
K        4.77429997       7.77308998       9.62033996       0.43385443      -0.05841768      -0.22287273
K        1.64727003       0.31514097       1.36959997      -0.34274072       0.37439907      -0.58553442
K        4.41454004      12.21390002      10.41769994       0.20868856       0.15436095      -0.05931359
K        3.32415003      10.59080002       6.21647995       0.13305611      -0.11350815       0.07114005
K        1.28303000       8.41695003       0.24488939      -0.64864037      -0.52010433      -0.11890957
K        0.37759095       1.86757003       9.61393002      -0.40571157      -0.17678946      -0.13070434
Li       8.50399997       3.35055999       7.89756001       0.31887452       0.22415947       0.02978448
Li       9.67009003       0.01736748      11.11419997       0.06707925       0.28244450       0.68277692
Li       8.81831000       9.91742004       9.22437000      -0.11220616      -1.21065198       0.38677691
Li      10.23680005       0.91164306       1.85302000      -0.41495196      -0.39552865      -0.30678820
Li       9.07150999       1.28952997       5.32595006      -0.92289859       0.15391912      -1.38250324
Li      10.19499994       4.38061998       3.97956004      -0.11607846       0.00528367       0.29281153
Li       6.75202000       5.80439995       5.01711002       0.23128987      -0.67311262      -0.55992612
Li       8.87769000       0.16540800       8.48930005      -0.55635683      -0.45627186       0.28582073
Li      11.05580004       6.14295005       1.61521995      -0.68793932       0.34479840      -0.41047132
Li      10.79969994       4.04414005      11.65780001      -0.58909915      -0.39682807       0.06473938
Li       9.34838999       6.91532000       6.62076994       0.00248847      -0.41138633      -0.28927644
Li       9.45899997      10.83489998       5.91410002      -0.84419912       2.04165559       0.73184385
Li       7.44160006       8.78220999       4.15669999       0.24155851      -0.10464722       1.10389959
Li       9.77281003       7.18566997      10.64789998      -0.10099617      -0.19130278       0.18955450
Li       8.60513996       9.98151995       0.15108949       0.60456035      -0.25875548       0.18790563
Li       8.25654006      11.87299997       2.75119002      -0.15133173      -0.08751065       0.12244023
64
Lattice="11.8902078 0.0 0.0 0.0 11.8902078 0.0 0.0 0.0 11.8902078" Properties=species:S:1:pos:R:3:forces:R:3 energy=-548.43233885 stress="-0.013106535925804966 0.002955888525969933 0.0026899313496710838 0.002955888525969933 -0.012296739594266835 0.0003883299143944168 0.0026899313496710838 0.0003883299143944168 -0.008356831460513095" free_energy=-548.43233885 pbc="T T T" config_type=wetmd 
Cl      11.78279999       4.80848006       5.33592004       0.07402244      -0.11654629      -0.03240318
Cl       3.22063995       6.31427999       7.02061006       0.07465559      -0.55695985      -0.38833541
Cl       8.44950995       7.19821005       2.74866005      -0.16688678       0.68822627      -0.60537215
Cl      10.81479998       1.36067995       6.88667994       0.73715318      -0.03286525      -0.39760518
Cl      11.07900004      10.49509999      11.51890003       0.30344474       0.53958024       0.15387407
Cl       7.27305997      10.66860000      11.58340001       0.16262053      -0.10975130       0.02505147
Cl       8.60547000      11.12319998       7.79729995      -0.21667932      -0.84290565       0.84758141
Cl       2.52102999       2.80487006       2.30394000      -0.56552904       0.11941196       0.08458081
Cl       0.89285104       7.35691995       9.50666000       0.19834418       0.63344684      -0.10235157
Cl       3.20444001      11.05219998       3.62820000       0.49401422       0.34261115      -0.35101100
Cl       3.39033996       0.04369223      11.10959996       0.21098757       0.37507143      -0.06225140
Cl       5.60552004       8.82586999       8.11538001       0.78510838       0.83303141       0.45262005
Cl       7.30638002       0.83914797       5.45811000      -0.14265389       0.68986840      -0.35734249
Cl       9.86778999       8.20499996       6.05955999      -0.51023214      -0.19261825      -0.28986829
Cl       8.46038997       3.99157997       3.88905999      -0.16833557       0.62264722       0.38211028
Cl       3.80522998       1.65999001       6.38271004      -0.72733492       0.60949654      -0.27556630
Cl       7.12660995       6.09078998       7.14815001       0.37645450      -0.05657111      -0.47850605
Cl       5.94934002       1.99656006       2.17193004       0.18904741       0.13448629       0.58008843
Cl       0.29532304       9.48026006       3.70017001      -0.27716857      -0.30111553       0.09784993
Cl       2.45194003       7.94384997       1.11846999       0.63829494       0.24147233       0.57296402
Cl       4.87447998       8.28536004       4.45421001      -0.05765079      -0.55585130      -0.15437432
Cl      10.84210001       1.58635003       3.01587999      -0.10919014      -0.12397313       0.60443814
Cl       8.50374000      10.72090003       3.27636995      -0.15397588       0.77164418      -0.53450585
Cl      11.24990002       5.24578002       1.42046998       0.57443005      -0.51296729       0.44620127
Cl       8.85139006       3.57985002       8.37846001       0.28279421      -0.21052665      -0.13891607
Cl       9.34873997       1.65083003      11.16410004      -0.01606297      -0.10927161      -0.13537537
Cl       5.41009996       7.30163000      11.52019999       0.20451720      -0.09673122       0.07562944
Cl       0.45225594       3.35091001       9.68093002       0.03908984       0.53128174       0.22358245
Cl       8.41096998       5.22875003      11.71340005      -1.16760477      -0.64744217      -0.25874498
Cl       2.27710000      10.09459998       7.38093995      -0.83382594       0.51267851      -0.32696784
Cl       5.34900997       3.60464003       9.71557999       0.21805648       0.11488360      -0.11857096
Cl       8.98434006       8.26795005       9.96609002      -0.10286641      -0.30251688      -0.57493557
K        1.79860997       1.23060999       8.59080997       0.47729240      -0.47945414       0.12474865
K        5.68400005      10.01269999       2.00731998       0.06818175      -0.26698758       0.07964248
K        1.64562997      10.89689996       1.20396998      -0.47393263       0.05029785       0.06284363
K        0.61101305       7.59044006       6.25023006       1.21088367      -0.12077697       0.18569149
K        6.50232006       1.53722005      11.35409997      -0.49628837      -0.01514942      -0.47226627
K       10.66909999       5.77448001      10.20760000       0.02069391      -0.91866582      -0.53674274
K        3.21328003       4.20843002       4.68141000      -0.03642250       0.37870321       0.77047707
K        5.83390002       5.32918995       2.01587998      -0.01731388       0.05450471      -0.25277998
K        1.28601004       0.65144403       5.24355001      -0.48910401      -0.26414470      -0.35019786
K        4.83258995      10.95470004       6.10805004       0.58992832      -0.50086143       0.04753231
K        6.08849006       3.16262001       6.87032996       0.60116318       0.17684613       0.02104219
K       11.73779995       2.44041997       0.54769496       0.67410428       0.10567211      -0.67202594
K        3.34788003       9.28399006       9.90135997       0.04049722      -0.46418073       0.45995635
K       11.14899995       9.83919998       8.74640000       0.53059709       0.10853133      -0.26916509
K       11.64849997       7.87140995       0.52407803      -0.40357531       0.24378133       0.19463647
K        3.14959001       5.43126001       9.84887005      -0.25703733       0.04331032       0.23099340
Li       9.73097995       1.32475000       8.82429001      -0.38720124       0.32342627       0.34021468
Li       9.40679997      11.64980005       0.55324899      -0.38644134      -0.28826174       0.09630374
Li       7.22106005       9.77162996       9.51071005      -0.08560315       0.25709912       0.18069628
Li       3.97684004       1.10790994       2.79566002       0.13107507       0.28057793      -0.11138947
Li       0.26679224       4.07046996       3.23058004      -0.42997735      -0.33781063      -0.20554428
Li       2.60521004       8.75056003       3.43448997       0.07538719      -0.05778415      -0.12372884
Li       8.35818995       1.75299997       3.35137005      -0.21523063      -0.40446806       0.25014729
Li       9.69234997       3.96596003       6.29417995       0.32059642      -0.38282868      -0.26022565
Li       9.06289997       5.17554004       1.88499994       0.35485278      -0.18105634       0.58387144
Li       7.30068996       4.80845996       9.30335005      -0.39314190       0.28699798       0.30236246
Li       8.62894995       6.56335000       4.74696999      -0.14765878      -0.63997478       0.91606427
Li       5.21047003       7.26271002       6.68648998      -0.18215835      -0.09589070      -0.48933582
Li       8.44633003       8.67003003       7.55451998      -0.97822590      -0.06712644       0.54422845
Li       7.65127999       7.25433004      11.46389998      -0.41294857       0.47238486       0.10679306
Li       9.39842998      11.83170001       5.71922003      -0.39501112       0.16712487      -0.21384389
Li       9.51260998       9.10547999       4.06069002       0.74498076      -0.45506032      -0.50456765
64
Lattice="12.18356741 0.0 0.0 0.0 12.18356741 0.0 0.0 0.0 12.18356741" Properties=species:S:1:pos:R:3:forces:R:3 energy=-545.70830622 stress="-0.007819195903473266 -0.0005665258862326797 0.0013910088944421078 -0.0005665258862326797 -0.003166112851819739 -0.0008835633547649381 0.0013910088944421078 -0.0008835633547649381 -0.010818395497086509" free_energy=-545.70830622 pbc="T T T" config_type=wetmd 
Cl       0.18495094       4.98919997       0.27612094       0.47353901      -0.62812704       1.10701933
Cl      11.18699996       5.16727999       3.97242998       0.80525265      -0.01909375      -0.06096497
Cl       6.58460998      11.83140005      10.76779996      -0.07517984       0.07505295       0.11515605
Cl      10.82550000       4.97788997       7.55124996       0.69426141      -0.34491686       0.19234641
Cl       8.87792994       8.57298999       9.92888995       0.32244536       0.99049105       0.10329202
Cl       5.87812000       8.70507996      12.12699996      -0.28046335      -0.06863228       0.37968331
Cl       2.24533998       2.62388999       3.62419000       0.16498708      -0.03199841      -0.63488519
Cl      11.00640002      11.35019995       2.50974995      -0.03274748       0.28858818      -0.06616976
Cl       1.33366994       2.17409998       9.45236005       0.02822957      -0.10373116      -0.23815083
Cl       6.16878994       1.40008001       6.26791996      -0.41356570      -0.06642667       0.42623763
Cl       5.70094997       9.10900994       8.50034998      -0.19413455       0.48860588       1.51094715
Cl       2.50039004       7.14169995       4.71467995       1.38379350      -0.15016826       0.17148690
Cl       8.97353001      10.59180004       5.73729002      -0.83241358       0.52032968       1.52984410
Cl       2.96677006       4.63674996       7.15723996       0.09022617      -0.27503198       0.76905774
Cl      11.00979997       1.35781997       5.60565997       0.19384300       0.21517177      -0.21608203
Cl       8.99926000       1.93890997       8.69437000       0.21510735      -0.01830223       0.39408518
Cl       7.01328003       5.98674003       6.63383001      -0.41644219       0.08982660       0.59737702
Cl       6.81312997       3.60001999       3.60487003       0.26470187      -0.32145717      -0.37083468
Cl      12.02640000       9.03416994       5.23126004      -0.54637119      -0.21260657       0.00826610
Cl       1.25785002       8.60266002       1.34145999      -0.26034461       0.28082019      -0.26658793
Cl       2.83888001       6.59345001      10.03159998       1.19604122      -0.16617842       0.49463816
Cl       5.70061005      11.56219999       2.88692006      -0.24400464       0.40949258      -0.47607593
Cl       8.45727997       8.75391000       3.31404998       0.05030973      -0.79276390       0.13233259
Cl      11.94719999       7.03573995      10.03750000      -1.15742768       1.26134625      -0.85650491
Cl       6.01099995       3.12102998      10.03810004      -0.45840334       0.47267338       0.02794488
Cl       8.81289004       1.69254996       0.81533006      -0.41697761      -0.11345903      -0.32479806
Cl       4.52289001       5.65965998       1.83637003       0.05982649       0.06997725      -0.72760832
Cl       3.09878998       0.25633300       0.58741998      -0.99038043      -0.45595355      -0.77636814
Cl       8.89703000       5.01638005       0.11063264      -0.37847329       0.13236975      -0.24862672
Cl       2.07966003      11.21539998       7.59514004      -0.95800372      -0.36484186      -0.14255732
Cl       4.59837002       9.88085002       5.38569005      -0.44823036       0.53187238       0.11322476
Cl      12.17239995      11.29030005      10.44889996      -0.00914358      -0.17993277       0.83536193
K        1.53211004       2.23541999       6.27277998      -0.09781511       0.27324188       0.54477049
K        7.99236003       0.68784596       3.82484994       0.79969938       0.70062207       0.30250153
K        8.18504998      10.55779997       1.28270998      -0.27162599       0.62043544      -0.73694826
K        1.38388001      11.40379997       4.80808003       0.06627938       0.04113393      -0.67640249
K        4.84237994       2.34324006       1.55358004      -0.01169165       0.11855592       0.21017548
K        9.79457002       6.95369995       5.84566005      -0.54675270       0.47427250      -0.22904490
K       10.69529994      11.84340001       7.82000995       0.47489841      -0.44108884       0.10737495
K        4.68157001       8.68431003       2.70140002      -0.14912257      -0.22589016       0.14457684
K        1.61241997       7.93398003       7.47126995       0.23461497      -0.24407502       0.06169621
K        4.08347004       0.36872604       8.69781003       1.29987802       0.65576580       0.41917631
K        7.48104995      11.49570001       7.99652998      -0.23689702       0.03878607      -0.22157659
K       10.17859996       6.84437996       1.96010000       0.06029680       0.11013560      -0.70822989
K        2.63141006       9.75142995      11.15239997       0.61590012      -0.32708174      -0.23965361
K       11.02589994       3.04243001      10.85840001      -0.56246240       0.03356333       0.18949856
K        8.91838998       5.75251997       9.45925997      -0.18360856      -0.00889278       0.15747225
K        4.39017003       4.82317998       4.72157001       0.26427667       0.03326625      -0.22210305
Li       6.01699000       4.76397004       8.43649005      -0.31138664      -0.10770070      -0.60406111
Li       2.45080000       4.03023004       9.28413995       0.29724229       1.10536070      -0.09199188
Li       7.64209002       1.65459997      10.72589994       0.25128213       0.12743279       0.25489690
Li       5.10138005      12.15740003       5.04177000       0.05755226      -0.63826175      -0.37791994
Li       7.62260996       3.89687005       1.55448004       0.47189108      -0.14565425       0.06036045
Li       0.61328399       7.19647995       4.03130999      -0.96424501      -0.09612250      -0.43806576
Li       4.96461000       6.71179997      12.00950005      -0.36402679      -0.46583270       0.05463016
Li      11.06040003       9.21850999      10.26819999      -0.04843670      -0.63229708       0.03643689
Li       1.17309004       6.71053994      11.53040003       0.47754581      -0.05684907       0.78495368
Li      10.38520000       2.92853997       7.12391998      -0.42066954      -0.15840903      -0.35680773
Li       0.62446802       4.01826005       2.61341005      -0.09548273       0.18279964      -0.05764805
Li       5.75934995       8.51832001       6.56853998       0.37291233      -0.86465167      -0.88140366
Li       6.95272002       9.62168995      10.48600002      -0.23484842      -0.22740747      -0.54045076
Li       1.68828997       0.78287303      11.06509996      -0.04903955      -0.25456249       0.45525864
Li       0.29901496      10.94580005       0.99441303       0.34264451      -0.40995924      -0.12183912
Li      10.18960002      10.14119994       4.19588002       0.63133997      -0.72363144      -0.78171901
64
Lattice="11.77681145 0.0 0.0 0.0 11.77681145 0.0 0.0 0.0 11.77681145" Properties=species:S:1:pos:R:3:forces:R:3 energy=-547.69295917 stress="-0.014401701036230726 0.0030427518581352155 0.002461632549619089 0.0030427518581352155 -0.02073040405084408 -0.0015970005533612142 0.002461632549619089 -0.0015970005533612142 -0.02211095240068554" free_energy=-547.69295917 pbc="T T T" config_type=wetmd 
Cl      10.74400004       0.87876200       1.78455001       0.08681783       0.16207911       0.14375890
Cl       1.93791001       6.80048998       4.49076000       0.23259514       0.67918558      -0.11175520
Cl      10.31980000      10.95119997       9.90688002       0.16060851       0.45850250      -0.25279047
Cl       7.25690996       5.16218005       7.84825004      -0.60648073       0.03917728      -0.17221705
Cl       7.38544997       8.39739004       9.47287002       0.40127751       0.62790201      -0.28467031
Cl       4.28006001       3.86945006       4.59662000      -0.32846171       0.66257567       0.02808364
Cl       2.74415005       1.50013001       2.83904995      -0.28845125      -0.57428397      -0.01171262
Cl       9.55280006       8.93567995       0.87246894       0.31485993      -0.35730679       0.16345095
Cl       1.47236994       1.38776003      11.00320001       0.27240205       0.68383148       0.13671317
Cl       5.40706000       2.37831000       7.28747997       0.39406235      -0.02110371       0.11293977
Cl       4.60850998      10.83740005       6.18520999      -0.06000725       0.14340093      -0.03533995
Cl       0.72418852      10.16430004       4.32206001      -0.19540581       0.14248052       0.04967534
Cl       8.51767003      10.67700000       6.11294006       0.79829778       0.31919249       0.97725737
Cl       0.96784604       3.33770994       5.17569005      -0.46242219      -0.10603018       0.38438206
Cl       9.17304005       3.13697996       5.46296005      -0.20781527       0.05161531       0.08393465
Cl      10.47509999       2.97061001       8.71399996       0.33822116      -0.15042305       0.54765904
Cl       6.13754005       7.82815998       5.84168005       0.25983923      -0.18278999       0.05768467
Cl       7.18873000       3.27905000       2.65658003       0.09059376       0.54674233      -1.42804042
Cl       2.22817002       8.05725995       7.56924996      -0.53595874       0.52678123       0.58261429
Cl       5.12665000       6.65139001       1.95830003       0.22450179      -0.28483569      -0.18605692
Cl       3.23722995       4.96832996       9.82226999      -0.42666933       0.71894615      -0.06623188
Cl       6.94555003      11.77169996       0.48679603       0.93726098      -0.05952859      -0.44675516
Cl      10.68090000       7.51748004       6.26318002      -0.24381829      -0.06195149       0.03824729
Cl       0.10208859       7.09777003      10.78780001      -0.02337206      -0.16613818       0.01587416
Cl       5.66462005       2.19203005      10.40350004      -0.41481767       0.68612722       0.62617332
Cl       8.18418006       5.35903004      11.53579995       0.10017846       0.27747358      -0.32305470
Cl       1.27380996       4.85383003       1.79824998      -0.24770210      -0.67467658      -0.29324808
Cl       2.80766004       9.55421999       1.40872005      -0.32768195       0.37927765      -0.01069610
Cl       9.12009999       6.20502000       3.23114004      -0.44948058       1.49426664      -0.26690724
Cl       1.40838005       0.09748856       7.90277998       0.56254730      -0.55621002      -0.98797046
Cl       6.45618005      10.70239999       3.43674998      -0.04663319      -0.35047792      -0.03559056
Cl       4.10758001       9.57873001      10.04500000       0.90591609      -0.09257201      -0.39617597
K        3.12683000       1.51573004       6.02083997      -0.37334355       0.15085577      -0.44446121
K        8.40098998       2.45310005      11.42200003       0.11940517      -0.38216685       0.08132200
K        9.28393004       9.39888997       3.63392996      -0.12881279      -0.14205929       0.44711088
K       11.15249995       1.05231004       5.28845997      -0.40869571      -0.82742257       0.22948189
K        4.06265995       3.86899005       1.75785999       0.63987128       0.08244106      -0.57349545
K        6.92131005       5.19639004       5.00919998       0.27058962      -0.05576049      -0.40837197
K        1.56082004      10.30770003      10.58010004      -1.22030125      -0.45982547      -0.04500600
K        4.11047004       0.44678856       0.42468854       0.39264026      -0.32318477      -0.23065493
K        0.35070202       5.12281994       7.38175994      -0.06341669       0.30421624       0.32333745
K        6.67146005      11.65880003       8.95309997       0.11143287      -0.40777843      -0.11914322
K        6.47750998       1.73796001       4.74089995       0.11152088      -1.02840221       0.26766890
K       10.31420001       3.93051000       2.83915995       0.18432244      -1.29000294      -0.01014112
K        3.86174001       6.26722006       6.40009005       0.97623429      -1.24146330       0.16709764
K        0.57118855       7.63999998       2.18128995      -0.53445875       0.65619285      -0.51560105
K        6.61656998       8.98386006       0.63653595      -0.39911836      -0.19943877      -0.05122555
K        4.20600000       8.76960006       3.72885000       0.35174019      -0.00676224       0.48354666
Li       1.66396995       4.85833996       3.96259003       0.68536821      -0.78895382      -0.28453821
Li       4.40357003       3.27799998       8.98238996       0.28552975      -0.10086101       0.21869676
Li       7.36813994       6.31148002       9.52770002       0.08413723      -0.12460044       0.89223542
Li       2.96833002      10.24920002       7.40599003      -0.20635932      -0.27146112       0.63387336
Li       6.98654004       5.35481995       1.67750999       0.34932601       0.14085013       0.40091581
Li       0.87661403       8.33335999       5.55236996      -0.33981202       0.21450435       0.82681865
Li       0.92433802       5.18878999      11.48099997       0.38761872      -0.05291527      -0.87526014
Li       9.73114998       6.99614003      11.63699997       0.03902236       0.09376141      -0.22783280
Li       3.70992997       7.41524001       9.39099998      -0.21275469       0.12942031       0.22666921
Li       8.86284002       3.89620002       7.52912001       0.38962064      -0.68858614      -0.19994387
Li       1.06656999       1.80113000       1.33035997      -0.41651740      -0.07346762       0.22231865
Li       6.58592000       9.92348003       5.66453996      -0.37337368       0.21758981      -0.49197197
Li       9.86000996      10.98689996       0.29788856      -0.29079079       0.62665064      -0.11193463
Li       0.09778852       1.00879001       9.21157001      -1.23858729       0.41022084       0.65579643
Li       2.17428004      11.08540003       2.97608999      -0.00522848       0.07517631      -0.30192303
Li       9.03872999       8.53726995       7.41670999      -0.38161088       0.40200352       0.17537993
64
Lattice="12.12364228 0.0 0.0 0.0 12.12364228 0.0 0.0 0.0 12.12364228" Properties=species:S:1:pos:R:3:forces:R:3 energy=-547.9638582 stress="-0.004102216206798865 0.0019118534562503585 -0.0003025469000776971 0.0019118534562503585 -0.00037170977423364986 -0.0011175648157354513 -0.0003025469000776971 -0.0011175648157354513 -0.0057513439344776636" free_energy=-547.9638582 pbc="T T T" config_type=wetmd 
Cl       3.54169005      11.08349997      12.03889996      -0.19312835       0.34054548       0.30294279
Cl       8.17667003       5.13000006       8.94999995      -0.70583260      -0.74553621      -1.16290727
Cl       6.43368004       5.64847998       0.30192100       0.03574431       0.11217566      -0.23789074
Cl      10.82860002       8.65081004       9.41000997      -0.84134095       0.67643654      -0.13297461
Cl       6.51079999       9.92475000       6.27632996       0.62484352       0.08384409      -0.27989744
Cl       5.64301998       0.63802098       8.06344006      -0.28821589      -0.15726307       0.17827211
Cl       1.25370003       5.81783005       2.62441006       0.00468074      -0.08396800       1.02043409
Cl      11.50619997       0.72581603      10.68050004      -0.37989868      -0.67927235       0.41501065
Cl      11.62800002       4.21320998       8.50443003      -0.17066915      -0.29070457       0.02174583
Cl       1.86297998       1.49064001       8.64806003       0.11104538      -0.05879871      -0.44736705
Cl       2.74351999      10.53029999       6.64348998      -0.28548684       0.63402940      -0.13398132
Cl       1.03168995       7.36933002       7.37506995      -0.39726154      -0.13221902      -0.43722820
Cl       7.31600005       9.14258995      11.40010004      -0.09561021       0.08982960       0.15986114
Cl      10.56250002       5.20025002       4.55143996       0.08845943      -0.41846215      -0.17709399
Cl       9.08232005       2.08351000       2.39371000       0.06869986      -0.65618794       0.59482307
Cl       7.90165999       1.52613003      10.73200006       0.02232885       0.50158242       0.31533207
Cl      10.36670004       7.58943001       1.64732996      -0.49402128       0.18444468      -0.86201932
Cl       0.65933895       2.14709002       4.51114995      -0.18947795      -0.28505884      -0.30870494
Cl       6.64574994       4.29784998       5.40939000       0.34629730       0.12539065      -0.60567260
Cl       5.26983002       2.24408000       1.32628997      -0.24198660       0.21610107       0.13990492
Cl       3.79085005       4.55838996       8.45853004      -0.15756916       0.20035734      -0.11268593
Cl       4.35936995       8.26809999       1.61193996      -0.04818228      -0.72571329      -0.15653480
Cl       9.65395002       8.55842994       5.27479999       0.27692335      -0.03029435      -0.72691580
Cl      10.45800004       4.01335004       0.12535773       0.04863961       0.52379978       0.11880648
Cl       1.86250000       3.75042995      11.54390001       0.28966319      -0.10423318       1.39111758
Cl       1.53920999      10.64790005       3.10466996      -0.14795147       0.09994524       0.08523241
Cl       4.41698998       6.92288004       5.89596996      -0.29093105      -0.32227897      -0.14046238
Cl       3.99149003       1.58498995       5.05678005      -1.03790419      -0.08055501      -0.53452583
Cl       1.53668997       7.47606996      11.44000003      -0.08825744       0.22370600       0.34250180
Cl      10.05110006       0.83450994       6.76570999       0.78647878      -2.08873037       0.22798656
Cl       6.91920003      10.85110005       2.46738004       0.07785421       0.30603281       0.33743139
Cl       4.30982996       8.52454000       9.30298004       0.02854154      -0.06731009      -0.16184690
K        9.07523002       3.18628996       6.55382994      -0.34693186       1.50457522       0.05971128
K        8.50766001       4.95942004       2.29756006      -0.06566331       0.19169008      -0.09839110
K        2.39135001       1.39098003       1.82218004       0.00660757      -0.18121589      -0.33383647
K        4.33025999       2.05916997      10.62840002       0.16973140      -0.06403423      -0.43434817
K        9.13840002      11.37629999       4.23653005      -0.10895123       0.18194382       0.56589056
K        8.95480006       6.60478004      11.02390002       0.43049313       0.92801894       1.00985503
K        3.97095997       5.28114005       1.77126996       0.03489167      -0.23568209      -0.32338689
K       10.23559995       6.45160000       7.25379995       0.02710109       0.22667884       0.18754078
K        6.44657002       1.75322004       3.89078002       0.35501929      -0.29906678       0.21384110
K        7.10778001       7.39382996       4.92050000      -0.20033669      -0.20757263      -0.10594170
K       11.67249997       9.96880004       6.44073006       0.90781499       0.35091280       0.65266867
K        1.56150997      10.64929996       9.79094003       0.13198589      -0.13506488       0.05694524
K        4.43001999       9.42814003       4.14395998      -0.33873790       0.52563270       0.95424222
K        8.03784996      11.15350006       9.24972003       0.07527408      -0.11551139      -0.26413083
K        9.64983005      10.61679999       1.07646996      -0.01636269      -0.13419799      -0.82425825
K        1.68331002       4.78319999       5.42132003       0.29137303       0.14231477       0.65142075
Li       3.52380004       1.02508002       7.10151997       0.20913095      -0.29668040       0.64236124
Li       3.07862995       6.88971000       7.82489006       1.10078642       0.14224422       0.37079182
Li       9.35947997       3.49788005      10.11769995       0.19195655      -0.44555231       0.39714672
Li       1.64295999       3.99904996       9.45151999      -0.02721301      -0.31944061      -0.62865702
Li       0.34488004       7.32738997       9.55953995       0.56930136      -0.35847802       0.24689138
Li       7.41049996       1.81916998       0.84075895       0.23240035      -0.06549421      -0.61182991
Li       2.31577001       9.23932994       1.26419001      -0.07728283       0.03259706      -0.54550467
Li      11.57120003       1.20592003       8.56981998       0.33739258       0.49454692      -0.08291517
Li       5.42643002       7.53815004      11.16350000       0.10532356       0.27226234       0.08194476
Li       5.78530996       4.97982995       7.30423006      -0.44734429       0.20477713       0.41528602
Li      11.75659998       3.46450997       3.08865996      -0.60265871       0.25282383       0.02189192
Li       5.02714004      10.37870003       7.82374995      -0.53617986       0.01635429       0.14690942
Li       5.27974995      10.19579997       1.15380000       0.24570641       0.20861893      -0.96367802
Li       0.02325775       5.32795998       1.00917998      -0.22557317       0.26876176      -1.66817617
Li      11.15609997       7.21370997       3.50370995       0.34116835      -0.21783797       0.95493983
Li       1.90645002       0.22391797       4.81654001       0.47330241      -0.26055889       0.22208184
64
Lattice="12.69288915 0.0 0.0 0.0 12.69288915 0.0 0.0 0.0 12.69288915" Properties=species:S:1:pos:R:3:forces:R:3 energy=-546.7222984 stress="0.0020642951451560715 0.0001609576538891411 0.0003204965940294415 0.0001609576538891411 0.003126953311488491 -0.0017917700662531102 0.0003204965940294415 -0.0017917700662531102 -0.0009538136620898569" free_energy=-546.7222984 pbc="T T T" config_type=wetmd 
Cl       6.20220994      12.37090000       1.45108003       0.53500849      -0.56094550      -0.90451054
Cl       9.85051996       1.25997995       2.02398995       0.48940539       0.22103850       0.31367265
Cl       0.03062490       8.10712003      10.03290003       0.29034370       0.25013050       0.11580887
Cl       9.05897997      10.92540002      12.59396940       0.06381287      -0.12920926       0.03298892
Cl       3.48566004       9.03278997       7.56728994      -0.34861032      -0.16092283      -0.14861720
Cl       3.19930998       1.82364006       2.81710005       0.32561317       0.18673137      -0.00371538
Cl       1.17180004       5.21328994       1.28564002      -0.87638980       0.14462298       0.23311575
Cl       8.20243005       2.52020995      11.58049996       0.20227849       0.37067273      -0.67946012
Cl       4.52316994       3.92537002       7.36654999       0.45602375      -0.23216577      -0.02647659
Cl       5.67766995       5.22932005      11.16050000      -0.02022329      -0.26379528      -0.16067857
Cl       4.49856998      11.54609994       4.41279004       0.28925877      -0.01358995       0.64434743
Cl       8.43052000      11.25559995       7.80776002       0.20810402       0.24704364      -0.18252053
Cl       0.03630788      12.46549998      11.74779998      -0.36298344       0.28809173      -0.09357007
Cl       6.63668005       8.08126005       5.18662002      -0.19258748       0.49811254      -0.08361832
Cl      10.45050002       4.83001000       2.94628003       0.16843315      -0.37606683      -0.30274438
Cl       6.75554997       3.48319000       1.83462004      -0.50792405      -0.16416849      -0.31623904
Cl      11.44170004       8.11148004       0.68220801       1.12043463       0.02473247       0.07125641
Cl      12.36400002      12.49289999       7.62793999       0.44113392       0.37839760      -0.24907537
Cl       7.35248005       4.93559999       4.77209997       0.31870219      -0.22375230      -1.60991721
Cl      10.51680005       5.47676005      11.60040000      -0.37158225      -0.38375398      -0.92788417
Cl       8.28885999       6.33329005       8.25086002      -0.36310973      -0.39073728      -0.03876774
Cl       4.04769000       6.84509996       3.11716998      -0.11532225      -0.46494814       0.11419146
Cl      10.14350002       9.28497001       3.49118995      -0.28239138       0.35380902       0.01450857
Cl       0.17797500      11.54070001       2.60911006       0.16224540       0.22842813       0.01413991
Cl       1.22285998       8.39549994       4.48886005      -0.22597093      -0.17657408      -0.15964710
Cl       5.38414004       9.25711001      11.30680002       0.50048954       0.21068587       0.27688777
Cl       8.14625005       7.24147997       0.96955002      -0.74819327      -0.06950285       0.34059277
Cl       4.21996995      12.34750002       9.57992001      -1.05218745       0.50283845      -0.44373973
Cl       1.20323994       4.80736995       5.57405003      -0.46736317      -0.02922599      -0.25285398
Cl       7.86014002       2.73977002       8.04881994      -0.41289759       0.25607516      -0.00953257
Cl       7.32851994       1.46866006       4.77588994      -0.18810950      -0.14930351      -0.11584802
Cl       0.81998806       4.65165003       9.86330995      -0.10836792      -0.48433936       0.17633316
K       11.52800001       2.85238997      11.34880002      -0.03380198      -0.74001415       0.16394040
K        3.07433998       6.42975004       9.72920996       0.47360323       0.57470192      -0.18702577
K        2.60878004       2.28820996       8.99899998       0.00939634      -0.31768341       0.06503070
K        3.85915998       4.17661003       4.56292001       0.74742865       0.13145052      -0.00920253
K       10.88870005      10.71770006       9.35795006      -0.24299755      -0.11878436       0.48028576
K        3.66204005       4.17486006       0.92519396       1.12847163      -0.07471668      -0.35743663
K        7.33543997      10.88769998       4.14140998       0.42864744      -0.03936119       0.25081265
K        0.50541600       2.65466001       3.54940005      -0.56686215      -0.15475628      -0.37173670
K        6.86753997      12.14170006      10.15760005       0.51532656       0.08996248       0.59674814
K       10.92210000       6.89129001       4.82868004      -0.03231879       0.18839875       0.25558448
K       10.02229994       1.91500995       6.43964998       0.13399203      -0.68219598      -0.19315506
K        1.57587994      10.61960002       9.76902997       0.60214659       0.23033385       0.08446455
K        3.28865003      11.60859998       1.96132998      -0.52102822      -0.16981003      -0.89612002
K       11.14329999       6.28389998       8.60176002       0.16769637      -0.27400832       0.20767009
K        6.43884995       9.19680000       8.08966998      -0.18674943      -0.46396295       0.10863056
K        2.04992000      11.22420002       5.80708005      -0.57290479      -0.00539418       0.19761971
Li       6.02590000       2.18867004       6.55886998       0.25305098      -0.06462470       0.27248963
Li       7.15705995       4.76162998       6.73643994      -0.10224751       0.26621818       1.87734286
Li      12.48009997       9.26681004       2.65764005      -0.30265899       0.14639889       0.04521667
Li       7.52835996       4.39468998       9.64844003      -0.19108086       0.15096684       0.23871601
Li      11.14210000      12.34130006       0.90531004       0.25419926      -0.36902410       0.03781631
Li      10.35729994       6.15659005       0.87265898      -0.46024591       0.26947760       1.16484321
Li      12.60454271       6.22464996      12.07879994       0.21487687       0.49584665      -0.19125586
Li       5.76874994       1.04915005       2.94411995      -0.34248251       0.72659591       0.87381356
Li       8.58428001       3.42495998       3.09341004       0.08659065      -0.05119938       0.35718139
Li       6.80564995       6.72258997       3.27407998      -0.20072579       0.11790208       0.20955191
Li       8.07541002       1.45472999       0.77580500      -0.60954402      -0.28358412       0.19068895
Li       7.17795003       9.66172999       0.42071089      -0.79501336      -0.11762732      -0.86821865
Li       3.57451001       8.38338001       5.34119999       0.33291258      -0.25812689      -0.30937716
Li       1.55293005       5.96490001       3.58690995       0.17205094       0.86376232      -0.21180343
Li       9.49218003       9.03518995       1.24583994       0.66359448       0.10476150       0.24397532
Li       7.34631994       4.67275006      12.60268371       0.04960357      -0.06031273       0.03448190
64
Lattice="11.08104739 0.0 0.0 0.0 11.08104739 0.0 0.0 0.0 11.08104739" Properties=species:S:1:pos:R:3:forces:R:3 energy=-544.51079129 stress="-0.03982854963152387 -0.0013727758484590664 -0.002190541401264217 -0.0013727758484590664 -0.046144360659241504 -0.005390614697452962 -0.002190541401264217 -0.005390614697452962 -0.05227216428746931" free_energy=-544.51079129 pbc="T T T" config_type=wetmd 
Cl      10.92330004       0.44245259      10.28790004      -0.95430546      -0.38545677       0.28109705
Cl       6.85618997      10.96050000       4.21592000      -0.15100915       0.21089083       0.05025458
Cl       4.45606004       9.08014000       1.41410997      -0.00314001       0.28050939       0.41954426
Cl       9.75490000       9.28281003       1.87511999       0.78879615       0.75528560       0.76579387
Cl       5.71015004       7.19549995       9.85425001       0.91617827       0.60749549      -0.63276845
Cl       4.17705999       1.04711000      10.09780001      -0.83089851      -0.04730552       0.53424328
Cl       0.19735257       3.69920001      10.18119997       0.40835095      -0.57764812       0.33857285
Cl       9.59932996       1.81671999       2.17108003       0.37443799       0.85279338      -0.19085090
Cl       3.86486001       4.80320997       9.00261999       0.26254786       0.03754918      -0.32883518
Cl       6.92443005       7.91671003       2.63650995       0.27098058      -1.12547617       0.67735438
Cl       0.89264397      10.82210004       6.18187001       0.07481691      -0.47240847      -0.44996460
Cl       8.90477002      10.67500003       7.63705997      -0.45234673      -0.59791422      -0.12473719
Cl       2.29183995       9.43226998      10.14159996      -0.67412382      -0.71686212       0.17698880
Cl       4.33141000       7.43560996       5.35431999       0.18093414       0.32615018      -0.97659039
Cl       0.64647096       4.75258000       4.49866999       0.43702776       0.12234119       0.66965987
Cl       3.97122000       2.09573999       4.38510000      -0.13498648      -0.09838908      -0.04640402
Cl       9.46405995       7.44910003       5.17428001      -0.29819892       0.53657501      -0.39426173
Cl       9.50039006       2.44657005       5.14270002      -0.91810634       0.09569910       0.11491206
Cl       6.93058003       5.09113005       6.25317998       0.00538758       0.44480333      -1.33199176
Cl       5.98676999       2.78081001       0.82074005       0.03776531      -0.10426556       0.26979838
Cl       8.96421995       5.92649996       8.69370997      -0.83690612       0.65883186       0.88053224
Cl       1.62813996       7.65535998       2.50297003       0.81915834      -1.03614802       0.17265315
Cl       1.55145002       0.05865265       2.16739004       0.38623233       0.10702834      -0.16219455
Cl       6.08172005       4.28398999       3.44287001      -0.19357110      -0.39820235      -0.30513869
Cl      10.96860002       7.09183997      10.97250000       0.91138932       0.26626449      -0.21898556
Cl       7.44943002      10.89086836       0.42155263       0.06045759       0.09332862       0.06478225
Cl       9.21139002       5.39362003       2.09802002       0.34461081      -0.37094974      -0.03448321
Cl       1.66297999       3.22634003       7.17055995      -0.41217243      -0.89538509      -0.33461359
Cl       2.86603002       4.37012995       1.44239999      -0.10749303      -0.30532623       0.76277914
Cl       6.95889000       2.99709000       8.95469003       0.55698346       0.09704853      -0.47912204
Cl       4.47487998      10.78399997       6.82677998       0.38844041      -0.08866698       0.77810614
Cl       1.40968996       6.56787996       7.48671996      -0.39990009       0.62746760      -0.51131986
K       10.04219997       2.06640003       7.85757004       0.23368837       0.56540211       0.82236750
K        6.61524999       5.56069996       0.88585261      -0.20192251      -0.19827518      -0.28744146
K        3.44553002       4.75535004       5.55000996       0.12614925      -0.17734091       0.29030155
K        1.08590996       8.19967001       5.07001998       0.40930501      -0.24219214       0.62365401
K       10.99769996       8.83634998       8.42326006      -0.23742492      -0.17079358       0.20564764
K        3.15021002       6.74417997       0.00895260      -0.62838294       0.24246971      -0.49159837
K        7.24359004       8.78730006       6.32942003      -0.95756339      -0.29102654      -0.06773430
K        1.15093997       1.95605995       4.33017003       0.05193066       0.15524824       0.12802064
K        8.40133000       8.21647996      10.78000004      -0.63597560      -0.12358097      -0.61510542
K        9.76882998       4.94072998       6.34070995       0.58814657       0.00153587       0.39026352
K        9.62237000      10.75859999       4.61277996       0.02403749      -0.46781776      -0.35680661
K        6.44819999       0.09265263       8.97734002      -0.16027180      -0.20872358      -0.63676515
K        3.94915996      10.32960001       4.17205002      -0.37063866      -0.27117077      -0.35627290
K        3.65566003       8.19663003       8.08668998       0.52702922      -0.02078955      -0.45802519
K        6.52679996       2.34943004       5.83786997      -0.28527634      -0.72511922       0.24466381
K        1.94095006       0.62525264       8.50480006       0.85692784       0.78606966      -0.32603954
Li       6.51036998       5.35030998       8.12793995      -0.33195633       0.17786290       2.70253675
Li       6.93591999       5.92218001       4.28815004       0.36502025       1.48481382      -0.06224287
Li       0.81655263       9.08604997       1.14466998      -0.09901821       0.29801722      -0.81222638
Li       9.88533999       5.22719999      10.61570002      -0.09596245       0.19515572       0.17162524
Li       9.60775997       0.14455260       1.00369002       0.06155762      -0.91591699      -0.75367457
Li       0.69940701       1.73369003       0.79325262       0.01429650       0.60284148      -0.16182255
Li       1.62197003       4.82634000       8.62740996      -0.05312261      -0.68070585       0.68152466
Li       4.81265003       3.07429997       9.92969997       0.31238711       0.16730791       0.08200560
Li       4.44033005       2.95052002       2.42578998      -0.01418914       0.19203700      -0.13479578
Li       9.20947001       7.56849998       2.88914996      -0.27594066      -0.87823015       0.54247536
Li       7.99392000       1.99150002       0.52945267      -0.18637956       0.22881700      -0.34679368
Li       6.52331996      10.07299997       2.27245000      -0.23087073      -0.12999326      -0.30305991
Li       3.90965005       7.12744005       2.79867000       0.15630386       0.45074262       0.52532683
Li       3.24826998      10.75499998       0.45408503       0.16336034       0.07126865       0.47274805
Li       8.65185996       3.47125001       3.28929002      -0.23474984       0.29159296       0.05500496
Li       0.97932302       5.29387000       2.66282001       0.25216804       0.69083590      -2.20257200
64
Lattice="12.13471781 0.0 0.0 0.0 12.13471781 0.0 0.0 0.0 12.13471781" Properties=species:S:1:pos:R:3:forces:R:3 energy=-548.04157691 stress="0.0002260201186927718 -0.0023596225914920056 0.002266581220107141 -0.0023596225914920056 -0.013791133669749277 -0.00032047563504179673 0.002266581220107141 -0.00032047563504179673 -0.007616339803976748" free_energy=-548.04157691 pbc="T T T" config_type=wetmd 
Cl       0.03419333       1.50068999       7.98972003       0.33687197      -0.28592719       0.55945647
Cl       4.47254003      12.09929997       3.09584998      -0.13494002       0.03079446       0.73778989
Cl       1.78134005       6.86634998       4.78762004       0.03436233       0.34785825      -0.51146025
Cl       7.18241994       8.23687996      11.69410002      -0.05292309      -0.14332693      -0.31505571
Cl       5.62753994       5.83714996       9.12613999       1.22374867      -0.87031944      -1.62770680
Cl       5.93400006       0.93335905       0.08751486      -0.10515140      -0.48526782       0.25873519
Cl      12.04374116       4.15878003      11.92490004       0.50521373       0.10419001       0.38847729
Cl      11.38730001       1.12585997       2.47300003      -0.03716284       1.08010670      -0.24334159
Cl       7.82570002       2.84561996       9.15294000       0.22167332       0.41320166      -1.60483647
Cl      10.67100000       8.54298999       2.49833999      -0.16922146       0.08303180      -0.10140883
Cl       3.33307995      10.21600001       6.49820995       0.23552789       0.31580756       0.51992919
Cl      10.82419996       9.27982995       9.67741998      -0.05993307       0.12784857      -0.10187238
Cl       2.42423000      10.17430003       9.77734999       0.13578631      -0.27203268       0.47424247
Cl       5.95701998       6.25666002       3.97678996      -0.68607007       0.09707281       0.56833311
Cl       1.48410997       2.99904005       3.88412999       0.75057942       0.27912282       0.94497579
Cl       2.28514004       1.12308998       0.00538223      -0.67049708       0.08509616       0.13213636
Cl       8.03874999      10.87250002       3.30634996      -0.62808846      -1.41890349      -0.30498500
Cl      11.65510001       4.69489999       7.06892005      -0.02153312       0.68302292       0.17973350
Cl       3.42361004       4.56216996       1.48375005       0.10353157      -0.70306495      -0.26603215
Cl       3.06627998       7.82339006       1.12778999      -0.24346581       1.17841426       0.13944720
Cl      10.15260000       7.87185005       6.21744000      -0.07223391      -0.19316661      -0.23273831
Cl      11.57790002      10.91990005       0.40657202       0.43918468      -0.80077639      -0.24511361
Cl      11.51099999      11.19449997       5.25097999      -0.36929970       0.19107510       0.00933775
Cl       7.99930997       1.70518001       3.72023994      -0.14037152       1.08624420       0.32624847
Cl      10.31860002       4.83469000       3.35000000       0.08004791       0.14074826       0.09288239
Cl      10.28460000       1.70684004      11.24030004      -0.09760898      -0.47120552      -0.54056393
Cl       8.10492995       3.69570003       0.38688696      -0.36654715       0.73504311       0.30643728
Cl       4.73755001       2.71736995       6.87585996      -0.13960362      -0.24198139      -0.77675750
Cl       3.86285006       3.12007998      10.20449994       0.25174698       0.93582597      -0.17976054
Cl       9.96420001       6.03837999      10.12680001      -0.06431445       0.34126124      -0.21793371
Cl       6.79035995      11.15850003       8.72190002      -0.33932574      -0.31984461       0.17514032
Cl       1.75513998       6.75688002       9.27366006       0.03344626       0.52774096       0.39351367
K        9.46964995       0.10918224       8.79897004       0.57176006       0.11555422      -0.07631677
K        8.20375000       7.05891995       2.45000001       0.08855747      -0.13009777      -0.41321928
K        4.85108995       3.42896995       3.86712002       0.04024690      -0.30554525      -0.08415748
K        1.97540003       0.34119805       4.99312003       0.02875638       0.25153980      -0.02041880
K       12.13109997       6.95464001       0.77976204       0.25935785      -0.32433414      -0.25550399
K        3.90963995       6.16864994      11.08850006      -0.49122577      -0.45489609       1.15769121
K        7.76031003       5.32258004       6.60168997       0.27967398       0.02832602       0.03634697
K       10.99159997       2.30161001       5.46744006      -0.10914868       0.13629195      -0.48981504
K        8.58106995      10.67780005       0.11064096       0.24321356       0.44544793       0.14051468
K        0.55992694       9.27264001       7.25904001       0.21526045       0.00257725       0.22200899
K        3.64435998      10.86250004       0.61991504       0.00539871      -0.42157460      -0.34860572
K        5.13196996       8.45530998       8.96361996      -0.22310504       1.59063675      -0.00631509
K        4.17032002       9.17109997       4.14200997       0.20721669      -0.67387344      -0.82019899
K        3.00725999       5.62025996       7.08255000       0.14223430      -0.82586356      -0.34951473
K        5.83368999      11.99309995       6.09521002       0.30900490       0.25239136      -0.37990155
K        3.89645000       0.48938298       9.33871003      -0.00196232      -0.28389171      -0.23224969
Li       9.00685996       8.03345998      10.14329995      -0.28261914      -0.08889843       0.19772898
Li       5.61086004       3.54589002       8.64897000       0.07714325       0.17247340       0.78576135
Li       0.59985502       9.73111999      11.01190002      -0.27288519       0.35792518      -0.25212178
Li       9.58598998       4.00534004      10.75299999      -0.19288810      -0.68699682       0.37509414
Li       0.64977300       3.24859004       1.95110997      -0.11527374      -0.04761328      -0.49756656
Li       0.24541896       2.94971995       9.95354997      -0.07345348      -0.40776241      -0.25413333
Li      11.82569994       6.43621999       8.88327005      -0.78953169      -0.42136698      -0.44807577
Li       3.93290002       2.61439995       0.27807300       0.10439665      -0.01936770      -0.03905247
Li       9.68865005       3.12938998       1.86945994      -0.04846384      -0.40919547       0.25821169
Li       6.61640999       0.34088218       2.46489004       0.23606258       0.28110004      -0.07894633
Li      10.01170003      11.77840002       3.28419002       0.21724804       0.08152364       0.19882044
Li       3.26748003       6.34959994       2.68735995      -0.09336921      -0.11512333       0.76314639
Li      11.37179997       6.10249996       5.14886998       0.24456074      -0.15255686       0.03584842
Li      12.13459998       0.90279497       0.16738205      -0.09269510      -0.06595177       0.21974956
Li       7.16604002       2.32488003      11.00940002      -0.16093345      -0.15991031       1.18075975
Li      10.86319997       9.26911002       4.45850004      -0.27596729      -0.29865742       0.53718124
64
Lattice="11.71928662 0.0 0.0 0.0 11.71928662 0.0 0.0 0.0 11.71928662" Properties=species:S:1:pos:R:3:forces:R:3 energy=-545.43292289 stress="-0.018091619066022014 -0.00042528283158929994 0.002705954383378305 -0.00042528283158929994 -0.023581015045104823 -0.00266541801606596 0.002705954383378305 -0.00266541801606596 -0.0180332325006549" free_energy=-545.43292289 pbc="T T T" config_type=wetmd 
Cl       3.40898004      11.62249996       2.61021995      -0.55626925       0.50008941      -0.18806575
Cl       7.20480998       3.22870003      11.50880003       1.50807010      -2.00269950       0.11352451
Cl       7.67944004       6.83370998       5.05035004       0.62320634      -0.30723894       0.29054782
Cl       4.67534998       8.30320997       7.49844995      -0.09794031      -1.83835131      -0.07979097
Cl       7.79835001       3.78883001       7.07403997      -0.49750224       0.05015936       0.40899674
Cl       6.65008997      11.04779997      10.42049996      -0.10964169       0.29109657      -0.25470015
Cl      10.67359999       5.60101002       0.98009496       0.32294262      -0.89800037       0.05047112
Cl      11.64408947       0.91736900       3.30440006       1.57802531       1.53877288      -0.38114276
Cl       4.19926006       4.57951001      10.75740004      -1.17269814       0.57095865      -0.62981805
Cl       9.41790995       8.95693006       1.80358005       0.38261597       0.54746828      -0.37071206
Cl       1.77453004      11.21520002       6.32861002      -0.16174316       0.10052456       0.38460721
Cl       9.97993002      10.02289996       9.91172002       0.08440293      -0.47883618       0.76796401
Cl       2.46668998      10.16899997      10.00649999       0.08835549       0.45131040       0.58735154
Cl       5.43669004       6.27067994       1.67082994      -0.51472395      -0.25946048       0.39305187
Cl       4.67167001       4.86785004       6.23451001      -0.95756194       0.02147806       0.49104762
Cl       2.21931002       3.62157997       1.78497005       0.78508843      -0.26915283      -0.40320244
Cl       7.33051996       7.17466997      11.00599997      -1.28044354      -0.51824583      -0.47987040
Cl       0.47139494       3.63368002       6.31567005       0.53709746       0.01885573      -0.61075131
Cl       8.73501997       3.50801997       3.07904005       0.99017417       0.21869925       0.71199056
Cl       1.61271002       6.45370004       7.60480002       0.29196633       1.30669253       0.86685283
Cl       7.23771000       0.62557400       2.06486002       0.20336699      -0.51045789       0.09292034
Cl       5.73903005       1.02398005       5.80554005       0.07930600      -0.49961754      -1.16547753
Cl      11.31710004       8.10482998       5.51364004       0.56429423       0.84497518      -0.21517497
Cl       5.80483994       9.34598998       4.14919995      -0.50593774      -0.13047412       0.03147364
Cl       2.31208001       6.46701995       3.58079006       0.05321223      -0.37089923       0.36933506
Cl      10.59419995       1.56668006       0.20189905       0.13884034      -0.32581187      -0.03333224
Cl      10.15409995       1.23132001       8.41663004      -0.00758798      -0.21906878       0.10290232
Cl       3.90493005       1.94723002       8.43090003      -1.00398234       0.43955473       0.32414355
Cl       0.94735502       3.53785000      10.18080000       0.23365068       1.16585510      -0.24196610
Cl      10.40500003       6.43103998       9.56312000       0.61633551       0.25011662      -0.20257781
Cl       8.47343999      10.57800003       6.54630995      -0.29763589      -0.12529024      -0.78202612
Cl       1.64881995       7.63755999       0.60841333       0.63433533       0.08712541       0.20830013
K        9.82903999       2.29462999       5.85572004      -0.56390671      -0.55671511      -0.57541696
K        9.43680004       3.69725000       9.68412995      -0.06652540       0.08372007      -0.00978304
K        6.23723005       4.27919004       3.91210999      -0.49899905      -0.15305420       0.32767002
K        9.98912005      10.86369994       4.07232999      -1.17547907      -1.65664053       0.49405290
K        0.80801340      10.40449997       1.26853004      -0.43760645      -0.18925227      -0.41197346
K        5.04192001       9.62950003       1.33684996       0.62294503      -0.41366815      -0.56152139
K        8.86315994       7.98753996       7.87081997      -0.85402476       0.00986169      -0.18547525
K        0.03851333       4.29143998       3.29500998      -0.51990402       0.31462361       1.06729924
K        4.62544996       1.79130995      11.21590002       0.28509996      -0.71822095       0.58063944
K        0.42889296       9.35057996       8.01360999      -0.17767414      -0.19165275       0.20493486
K        8.29545004       6.32527002       2.22580004      -0.42456300       0.36630554      -0.27761686
K        3.22209000       7.43183999       9.94292005       0.68374523      -0.20860339      -0.16337775
K        2.50847006       9.16345002       4.54499003       0.31969314       0.11202060      -0.10014342
K        2.87496004       1.87550998       5.41621000       0.14025456       0.40616209      -0.19857376
K        4.49126999      10.79000005       7.88176004       0.22521024       1.69958517       0.20356923
K        1.13036996       0.94869700       9.41601998      -0.28638063      -0.63047012      -0.49171353
Li       5.72043998       7.64605999       5.76609000       0.22219992      -0.07832545      -0.44723638
Li       5.75346997       2.20489002       7.50114000       1.50517979       1.06965792      -0.09112909
Li       1.87920999       1.57711995       2.25829001      -0.05440296      -0.79585225       0.36996139
Li       1.16730001       4.54812001       8.10776004      -0.79876902      -0.93199751       0.78308508
Li       2.57171002       6.06724004       5.79900995       0.67699660      -0.52700935      -0.76993197
Li       3.95688997       4.37777995       8.52506005       0.35704288      -0.07272390      -0.39850544
Li       0.14421332       6.60391001      11.21290000      -0.13615545      -0.27367683      -0.25602076
Li       8.84198999       2.21021995       1.38771003      -0.53922811       0.04187049      -0.16996490
Li       0.29781332       3.41800999       0.59016898      -0.54249810       0.26219441      -0.58121993
Li       8.53872005      11.49550004       0.03321340      -0.04423532      -0.38268815      -0.06277802
Li       9.22033005       7.85013004      11.15670004       1.18052941       0.73755661       0.22863139
Li       3.23322004       5.77022000       1.37775004      -0.15668396       0.24555609       0.22647937
Li       9.89895995       6.71695999       5.24482996      -0.94869405      -0.78751620      -0.20236902
Li       8.63739996      11.20630004       8.56074996      -0.06172050       0.57647161       0.63952431
Li       6.69728999      11.35979996       4.14390998      -0.20338474       0.24920048       0.23663473
Li       6.08102005       4.77579997      11.60079994      -0.27967961       2.74315311       0.43539678
64
Lattice="12.36955852 0.0 0.0 0.0 12.36955852 0.0 0.0 0.0 12.36955852" Properties=species:S:1:pos:R:3:forces:R:3 energy=-548.98276527 stress="-0.0008769914575949854 0.0009974703408179952 -0.0010520787334659379 0.0009974703408179952 0.003956500368127204 0.0014986941631947202 -0.0010520787334659379 0.0014986941631947202 0.003919327743569581" free_energy=-548.98276527 pbc="T T T" config_type=wetmd 
Cl       8.49075998      10.41029999       1.34461999       0.45243662       0.37080798      -0.05949093
Cl       3.93394005       3.09344995       8.17635994       0.91649401      -0.23380966       0.31050019
Cl       6.78048000       5.35806996       4.82874996       0.27424447       0.02854761       0.11050630
Cl       4.00402003       9.79552996       7.92024997      -0.82537363      -1.13673290      -0.46810455
Cl       7.83236005       3.97461005       8.63677000       0.04408873       0.22713206       0.36418327
Cl       0.56221004      10.13669995      10.03090002       0.71760119      -0.40099556       0.01452883
Cl       1.14635997       1.61460998      10.50869995      -0.34215293      -0.30758520       0.23385411
Cl       1.84630999       1.16923005       1.79523002      -0.04345405      -0.12083714       0.70353080
Cl       6.57878000       7.51485006      10.02450001      -0.11903632      -0.53259641      -0.00129413
Cl       9.61683004      11.67520003       9.78426995      -0.66608493       0.24383981       0.47486237
Cl       1.08755002      11.86660002       5.68172997       0.61986629       0.16957712      -0.42668044
Cl      10.59180000       1.67452997       0.83071506       0.24537230       0.13358619       0.13928677
Cl       5.58797997      11.06269994      11.10980001      -0.07722034      -0.35531265      -0.01583645
Cl       4.99787002       4.00682001      12.10939999      -0.11375811       0.50280641      -0.42476468
Cl       2.31435998       4.63241006       5.32525006      -0.46628647      -0.66149724      -0.55720333
Cl       3.17716997       7.34806994      12.15060002       0.07088243       0.23493933      -0.55061447
Cl       8.20208999       6.75747003       1.68646994       0.26937550      -0.25368461      -0.30245810
Cl       0.01324149       3.14626994       7.25880997      -0.24289913      -0.25674823       0.38420469
Cl       0.69255501       4.83255001       0.38479000      -0.25893525      -0.64000633      -0.18767480
Cl      10.61510005       6.35012006      10.35529998      -0.14587249       0.14676579      -0.10424911
Cl       7.46855995       1.02012998       2.91928001       0.06449887      -0.49571267      -0.29640449
Cl       4.45904006       2.02500002       4.46723996      -0.03939414      -0.29723662       0.11559349
Cl      10.87340005       9.14736002       7.40237997      -0.42728911       0.19018868      -0.66488941
Cl       3.40014004       7.22913997       3.56974994       0.35424907      -0.57708258       0.39825241
Cl       0.80180196       9.38173001       2.44237997      -0.57135622       0.13969407      -0.11774914
Cl       6.34705006      11.75489994       7.82448002       0.92356970       0.81303636      -0.01406660
Cl       9.84233996       0.40864494       5.39583002      -0.45195918      -0.35366029       0.17914684
Cl       7.09181994       1.60612001      11.41239998       0.77089976      -0.22153491       0.17799414
Cl       1.81801995       6.77741000       8.13836004      -0.30685260       0.21150622       0.81421570
Cl       3.94494995      10.51360003       2.75539004       0.38959447       0.16274416      -0.57570121
Cl       7.33663997       9.21107995       5.24740001       0.30322508       0.04925935       0.00533178
Cl      11.05480000       6.15399996       5.27299003       0.37742921      -0.11295085      -0.69343985
K       12.24219994       2.13706995       4.39444004       0.04141191      -0.13824042      -0.01221873
K       10.47780005       2.43577005      10.26779995      -0.11354463       0.28395580      -0.16219462
K        7.45019004       2.41006994       5.53896003      -0.27432461       0.11500819       0.50263823
K       11.57830000       6.84554994       1.94426997      -0.23270671      -0.10960026       0.22415890
K       11.32399994      10.06519994       0.04007502      -0.34130535       0.30087373       0.13089045
K        4.36528004       5.93149004       6.66661995       0.50067450       0.27266570      -0.08040915
K        8.83282998       6.64184001       6.96961996      -0.10609094       0.25678199       0.33500058
K        2.75410002       4.23565003       2.24865004       0.66869370       0.22205264       0.45051140
K        4.68919004       0.85439794       1.06143998       0.40000602      -0.24298942       0.06570796
K        3.21788004      11.99069997       9.46553005      -0.12201437       0.42134859       0.19210285
K        7.68448000       3.80909001       2.39305994      -0.07407235       0.39655320      -0.51594736
K        1.19396001       8.26746001       5.75380999      -0.15408037       0.64279248      -0.61564952
K        5.07132999      11.29310004       5.27396995      -0.23509459      -0.04951696      -0.10879920
K        1.96544999       4.26812000       9.79677001      -0.60174420       0.25054749       0.36425072
K        5.97576996       8.59009001       0.72818404       0.04576873       0.43258961      -0.08883600
K       11.71870006       0.07504153       8.11132996       0.56196332      -0.17919042      -0.58500332
Li       7.52510999       7.27370997       3.71485995      -0.19357172       0.21912641       0.53040604
Li       7.33896001      12.17850005       9.86298994      -0.02379781      -0.13393710       0.44576907
Li       0.61860100       2.25795999       0.37571804      -0.46214842       0.26674121      -0.47991952
Li       0.42876205       5.21107000       6.32222002      -0.12916172      -0.26685458       0.38627799
Li       2.86097003       8.50009999       1.97232004      -0.23207849       0.44259909      -0.21033555
Li       4.75322997       6.07454002      10.89250001       0.17113784       0.13671989       0.43631712
Li       2.06628997       8.34721002      10.17699997       0.44798051       0.00242773      -0.05843328
Li       8.74154994       0.49194996       0.42908304      -0.49578099      -0.37388862       0.17349104
Li      11.99380003       8.32913005       8.97137002      -0.21984859      -0.51519229       0.28429482
Li       6.01785998       9.54560996       8.69695001       0.05653372       0.05075636       0.49855682
Li       8.37582996       5.81369003      10.51400006       0.08864490       0.25854665      -0.33929116
Li       3.01751001       2.37488003       6.28644998      -0.12666719       0.36795693      -0.46652802
Li       2.11080999      11.61770002       3.44747995      -0.47444912      -0.03773035      -0.05522590
Li       8.28085006      11.42720003       6.70062003       0.57608207      -0.47541904      -0.14810361
Li       8.97062006      11.50199999       3.31853002      -0.25938058       0.21951159       0.14457866
Li       6.19955000       3.02949005      10.00930005      -0.38293731       0.29655692      -0.20342771
64
Lattice="13.10773139 0.0 0.0 0.0 13.10773139 0.0 0.0 0.0 13.10773139" Properties=species:S:1:pos:R:3:forces:R:3 energy=-544.35629214 stress="0.0025548820316427375 0.0006091972116736059 -0.0008188415265633617 0.0006091972116736059 0.005473711703283394 0.00040015548328240847 -0.0008188415265633617 0.00040015548328240847 0.003245327139653142" free_energy=-544.35629214 pbc="T T T" config_type=wetmd 
Cl       8.75877998       8.31714997       9.89733994       0.52835568      -0.08244829       0.39863517
Cl       9.34388997       3.58588994       2.38103002       0.00874627       0.34188368       0.18322046
Cl       4.67460002       3.62342996       6.84361996      -0.20475990       0.55270485       0.30851659
Cl       2.78443999       9.95794996       6.93056997      -0.14935310      -0.00202865      -0.88844532
Cl       0.57687204       2.78615998       9.71964000      -0.26745309      -0.34350843      -0.27725740
Cl      12.93531137      12.30500003       7.09624003      -0.40843521      -0.12269102       1.03511914
Cl      10.16939995       7.59721005       1.72899995       0.31554822       0.92094324       0.18399634
Cl       1.26692004       0.16410395       1.40050998      -0.29325980      -0.28219166      -0.05222685
Cl       7.85220995       7.75964001       6.61638001      -0.57204305      -0.14195711      -0.17977350
Cl       9.50492999       0.38046396       8.36723998      -0.08590541       0.20890143       0.09929391
Cl       2.88600996       0.72396098       5.93672001      -0.13981208       0.18164340      -0.73992865
Cl      10.85340004       0.43640304       3.86251996      -0.64865348      -0.17862341      -0.45576826
Cl       2.02095003      10.35820004      11.23079994      -0.30085553       0.04677108      -0.62806831
Cl       3.92333997       1.61608995      10.79939999       0.15058188       0.69528634      -0.25149883
Cl       1.97605002       5.11098996       4.53019005       0.17317460      -0.33311873       0.36815606
Cl       6.09714003       8.27628006      12.88214838      -0.54122482       0.39758523       0.27106016
Cl       7.32695995       4.18701994      11.43400006      -0.55853759      -0.53036331      -0.00311708
Cl      10.62930004       4.72536994      12.60370006      -0.25218160       0.01881551       0.05820234
Cl       0.76102204       5.97977996       0.44807495      -0.41302749      -0.00129991      -0.19856700
Cl      12.93611435       6.83965002       9.96801997      -0.32142261       0.12519517       0.34722888
Cl       7.40891002       0.63908304       1.12844001      -0.08932560      -0.11799227      -0.65297101
Cl       4.58640006       3.66360004       1.00635997      -0.42047356      -0.02281583       0.08338070
Cl      12.01929998       9.13047002       5.44709001       0.12170457       0.13920969      -0.17501478
Cl       5.98351003       6.75212000       3.18821002       0.15900540       0.38991641       0.47814561
Cl       2.64330000       8.99782004       1.72438000      -0.19861665       0.74763114      -0.13544829
Cl       5.82763996      10.92120004       8.89241998      -0.17900129      -0.40052408      -0.10338995
Cl       6.69367997       1.20899003       5.11024006       0.45664528      -0.05529653       0.10309835
Cl      10.62490004      11.85639998      12.49589998       0.40862367       0.04008097       0.47455162
Cl       3.56734001       6.82876995       9.16952005       0.15751663      -0.00849555      -0.65506787
Cl       4.62479995      11.81330005       0.68562506       1.14556742      -0.12035943       0.49601798
Cl       8.55726001      10.07779998       4.25510006      -0.81877212       0.15061092      -0.63695085
Cl      10.41150001       4.58899002       7.07390996       0.43186902       0.16712124      -0.05589757
K        4.84046001       0.96290103       2.75647006      -0.07603596      -0.02761111      -0.09034742
K        9.38280001       2.08142005      12.29229994      -0.20707892      -0.31943801       0.29996159
K        9.38222995       5.16660999       9.66422995      -0.14779159       0.18456135       0.23427823
K        3.29810000       6.33827995       1.97071006       0.15440583      -1.00680069       0.23228479
K       11.64079995       8.98862995      12.40719996       0.05813962       0.15239942      -0.31672673
K        4.09802998       6.85147005       5.71310998       0.10420363      -0.12319928       0.29410311
K       11.04250004       7.51735002       7.75847997      -0.53407137       0.00701384      -0.07747588
K        2.94222994       7.68771002      11.88139996       0.03317414      -0.11448406       0.14840763
K        7.32704004      11.07210005      12.37720003       0.01602376       0.09695870      -0.11393718
K        1.59122000       3.00861995      12.80405435       0.21648995      -0.28575419      -0.04965791
K        7.98209001       4.49204996       5.44716001      -0.15144350      -0.22557344      -0.33554993
K        0.10381900      12.23820001       4.36344004       0.95883706       0.10966876      -0.61657818
K        2.34167996      12.82732936       8.54654995       0.42238922       0.03175626       0.61297764
K        1.12132998       5.16993005       7.76277996      -0.21524295      -0.13361485      -0.07620798
K        8.05123997       6.17275998       0.51170303      -0.76520774      -0.57558129      -0.06586552
K        9.99211002      11.40420002       6.26475004       0.22449875       0.46714251       0.23068311
Li       6.95315996       8.43483000       4.38283005       0.49395272      -0.11989270       0.35045510
Li      11.97739994       0.99049700       8.68138997      -0.21100206       0.07648040      -0.28215260
Li      11.10659999       5.69181005       1.82996999       0.19587353      -1.30947682      -0.14358671
Li       7.07018998       0.39009198       7.19087994       0.21862516       0.09096561       0.03897316
Li       4.80401003       9.50925999       1.48288001       0.24492960       0.11744522      -0.49966149
Li       5.42599994       2.74177996      12.26020003       0.24098726       0.03444077      -0.17665862
Li       3.83011005       9.41305999       8.61989006       0.56517305      -0.24507559       1.15547459
Li      12.32340000      12.35440005       1.10092006      -0.38789105       0.43385639      -0.35334030
Li       0.65692201      10.10660002       6.73991998      -0.60215232       0.11094482      -0.01759713
Li       6.98329005       8.92638998       8.68653999       0.31338601      -0.03034794      -0.20215095
Li      12.21359995       5.85971996      11.93919994       1.18652858       0.15710074      -0.47696375
Li       3.05556004       2.88554005       5.32899997      -0.01951285       0.25365738       0.15050300
Li       2.83284002      11.16769998      13.06777614      -1.03655825      -0.06284844       0.13576522
Li      10.07979996       8.73397006       3.67046994       0.59043433      -0.15813313       0.19842176
Li       8.69577006       1.14893001       2.76494997       0.62179132       0.42448827       0.75387490
Li       3.91047997       3.67093998       9.01099003       0.29992041      -0.39163498       0.25906267
64
Lattice="12.31972906 0.0 0.0 0.0 12.31972906 0.0 0.0 0.0 12.31972906" Properties=species:S:1:pos:R:3:forces:R:3 energy=-543.50104597 stress="-0.007655906428016205 -2.977324683228832e-07 0.002698104568422373 -2.977324683228832e-07 -0.013450554926484668 -0.0017471053588351052 0.002698104568422373 -0.0017471053588351052 -0.007917061749201128" free_energy=-543.50104597 pbc="T T T" config_type=wetmd 
Cl       8.85600003      11.16990004       8.91618006       0.65585673       0.31111469       0.08502645
Cl       6.86359000       3.20550997       2.58709000       0.31816214      -0.06545446       1.08404691
Cl       5.96175996       0.63112001       5.69095002       0.53316046       0.22699753      -0.16791782
Cl       5.97498002      10.12160001       7.69699996      -0.97531066      -0.24340358       0.72655235
Cl       2.19070999       4.78123005       7.67087006       0.07105139      -0.10618892      -0.79596812
Cl       0.36187603      11.93979995       7.68308002       0.78148362      -0.37831960      -0.14730777
Cl       7.67178997       8.16317998       1.98557997       1.40391985      -0.78251702      -0.50473520
Cl       3.13885999       2.82259000       0.86656900       0.03611276       0.16168354      -0.45096906
Cl       6.99529000       6.22344998       9.24910004      -0.05539592       0.03861084      -1.01804179
Cl       8.17075994       3.11816001       6.96564996      -0.10768686      -0.16784438      -0.68726593
Cl      11.29659995       2.10900000       5.71264001       0.57237935      -0.24572964      -1.01525713
Cl       0.25357095       8.39210002       3.58471000      -0.43155777      -0.74057105       0.07671407
Cl      11.42280006       3.86118000       8.64452005       0.80060651       1.30736311       0.82874609
Cl       3.63704002       0.23194797      10.21120004      -0.38350011      -0.49255466      -0.26682012
Cl       3.58523002       2.98205005       4.74361004       0.78723081      -0.66238383      -0.73014441
Cl       4.65202998       6.60904000       2.44603995      -0.69994860       0.03829702      -0.92753732
Cl       8.75495004       4.74789003       0.29907091      -0.04679538      -0.60046243       0.01784635
Cl       9.23564000       8.24362005      11.15790001       0.10295711       0.26057565      -0.68475571
Cl       1.96594996       6.43018994      11.05680000      -0.57370058      -1.15589286      -0.55597608
Cl       0.05413326       8.99759006      10.11970006       0.89573962       0.35359144       0.32486749
Cl      10.59549994      10.60430005       1.07171996       0.12781584       0.52050438      -0.04184461
Cl       7.00548001       1.37644994      12.13579994       0.47539571       0.15733516      -0.23622990
Cl       1.88921998       8.55652996       7.05842996      -0.15400624      -0.02731135       0.36989835
Cl       5.45816997       7.10244996       5.97306996      -0.45530005      -0.45495391       0.88780641
Cl       1.10954005       0.48053005       2.42198001      -0.47341084       0.31370167      -0.61139495
Cl       4.20951997       8.78699994      11.49690002       0.48702601       0.79808072      -0.59604853
Cl       6.18819005      10.98899997       1.76490997      -0.55052202       0.32779554       0.20182834
Cl      11.81939998       2.08813999      11.33239998      -0.15204213      -0.60969313       1.27171481
Cl       5.09302995       3.50236001       9.70042999      -0.18484449      -0.43236386       1.05651634
Cl       3.35798005      10.44609994       4.30810996      -0.15172985       0.20482256       0.19829433
Cl       9.10985002       9.53864004       5.04328005       0.10779706       0.29541625       0.36711079
Cl      10.01310003       6.15116003       6.41234999       0.29508763      -0.30803244      -0.26823138
K        2.82113997      10.50809997       1.46053998       0.26567490      -0.15397271      -0.16880733
K        7.39200006      10.75460000      11.51539994       0.14027938      -0.20976852       0.29451278
K        8.78656998       4.03525001       9.61823004      -0.62891247      -0.09780848       0.39222100
K        5.50174005       4.49990005       0.39285201      -0.48461692      -0.56253967      -0.02681159
K       10.76800005       1.37037003       8.54046996      -1.03902861      -1.46405404       0.06089332
K        4.02001001       7.00781004       8.55212997       0.17291575       0.13150279       0.24055253
K        8.61397994       8.32798999       7.78661995      -0.51126116       0.00254015       0.07615649
K        6.65967002       6.92688002      11.77320001      -0.18804903       1.02532040       0.95706226
K        6.14248004       9.03456994       4.06882004      -0.74010173       1.15374201       0.29271150
K        1.79825997       3.14619996       9.99174994       0.59307975       0.10501278       0.40776277
K        5.07237999       3.91699995       7.02758999       0.69213246       0.52444010      -0.56681187
K        4.72469001       1.02801006       2.74535996      -0.16965181      -0.20739966       0.11501386
K        3.29886999       0.59796996       7.06403002      -0.04757267      -0.26868637      -0.39205039
K       12.27590002       6.54737003       8.77831995       0.25642718       0.14155359      -0.29839901
K        7.01268003       6.04500006       4.04809000       0.65138861      -0.64534718      -0.44649724
K       11.89659996      11.24969998       4.60249000       0.02297928       0.14980218       0.14894798
Li       2.10520996       8.64625997       4.84321997       0.37730055       0.08760498      -0.02593701
Li      10.72929996       3.89323002       6.67627998      -0.97942535       0.40721577      -0.45460639
Li       9.77404000       6.55992999       0.05192125       0.40485381       0.69841944       0.29778591
Li       7.30792998       2.33457005       4.66268999       0.02973177      -0.26626101       0.70771634
Li       3.09057996       7.21550996       0.25206695       0.55487382       0.05624793       1.05106380
Li       8.43665998       2.56194002       1.10667005      -0.13745878       0.01556414      -0.19580355
Li       4.47073001      10.61289996       9.47268994       0.30609251      -0.50337601       0.06486722
Li      12.00230003       0.13694204       0.37613895      -0.20846270      -0.24332544       0.40897045
Li       1.17989002      10.09599998       8.58001001      -0.13431373      -0.16290804      -0.25994411
Li       7.37973995      11.66759997       7.10389001       0.08737512       0.28465443      -0.23208775
Li      10.59589996       9.99078998      10.10679995      -1.18046651       0.40149079       0.30731609
Li       2.00661000       3.71507996       5.65759004      -1.37326978       0.61090273       0.81841715
Li       1.00800996       2.59309994       1.26434004       0.08119205      -0.43591470      -0.04156889
Li      11.29149996       6.47085995       4.70908005       0.37763372       0.95901980      -0.32251485
Li       9.39971994       9.44998998       2.89272006      -0.08846547       0.04358742      -0.84076317
Li       5.31222997       1.49866005      10.80629999      -0.15890505       0.58052739      -0.15989156
64
Lattice="13.12164148 0.0 0.0 0.0 13.12164148 0.0 0.0 0.0 13.12164148" Properties=species:S:1:pos:R:3:forces:R:3 energy=-546.45878566 stress="0.005654988477784685 0.0002721360269146177 -0.00041826833652421254 0.0002721360269146177 0.0011390222627819786 -0.0013515181983611679 -0.00041826833652421254 -0.0013515181983611679 0.00333182063119517" free_energy=-546.45878566 pbc="T T T" config_type=wetmd 
Cl       7.51571999      10.52360003      12.09800005       0.02535221       0.02220113      -0.07951876
Cl      10.55739994      12.60769998      13.04559999      -1.19613627      -0.65975033      -0.89415811
Cl       3.49699999       3.79860997       9.48744003      -0.12520605      -0.01260086       0.86379950
Cl       0.55855902       2.96455999       5.84097995      -0.08720153       0.10069478      -0.11204266
Cl      11.59380006      11.33909995       9.91727995       0.21564616      -0.15029739      -0.29892427
Cl       3.87161997      10.65619999       5.03883000       0.05260862       0.21833174      -0.02953215
Cl      11.11349996       8.76048994       6.81891004       0.40722133       0.09958946      -0.25375147
Cl       1.54053005      12.83189149      12.03459995      -0.10897731       0.11343268       0.12268374
Cl       4.91029998       4.28528995       4.28132000       0.08224983      -0.25541151       0.10296911
Cl       0.24292200       9.85087998       3.62556006       0.42708198       0.34171845       0.55317959
Cl       1.58222997       6.51684002       5.30451004       0.33185174       0.50557792       0.25729774
Cl       3.58937005       7.69119006      13.11740227       0.70929354       0.26759305      -0.12886655
Cl       7.97438998       0.37535098      10.04189998      -0.01332479      -0.02140230      -0.07307177
Cl       6.50012003       6.04774999       8.37246004       0.28391265       0.19009331       0.35699319
Cl       1.82148001       0.92468103       3.26188996       0.17685162      -0.20540188       0.49763247
Cl       9.58189997       4.11953003      12.16179997       0.20464650       0.39809901       0.05102325
Cl       9.59726004       3.10667000       7.29135002       0.25673049       0.65727068       0.23310668
Cl       7.95628999      11.90329996       4.02994005      -0.43694931       0.18531359       0.08985968
Cl       1.52283997       3.14451005      13.12110756       0.09756698      -0.83433286       0.48656435
Cl       0.25311699       6.51356997       1.72837002      -0.44936581      -0.17251220      -0.69219551
Cl       9.58275997       8.07515002       9.83358998      -0.46150836       0.03548768       0.48864586
Cl      11.65559997       0.23669394       3.02797006      -0.30138480      -0.15954895       0.15939937
Cl       2.17569006       0.15575900       8.44091000       0.07510635      -0.44177120       0.03845815
Cl       0.32847799       7.23879995       9.91188997      -0.23266638       0.21081704       0.04702551
Cl      12.28870002       0.17984102       7.05823002      -0.64657964      -0.05782608      -0.34706879
Cl       4.93810998      10.04509995       9.38877001       0.08990966       0.46668494       0.01888873
Cl       6.82378998       8.82823999       6.28587997      -0.29127568       0.37316994      -0.77677931
Cl      12.70240005       2.52178004      10.15260005      -0.20503814      -0.05488007      -0.53907336
Cl       4.45843998       0.19707800       1.10607998       1.20698039      -0.39170126      -0.32940634
Cl       1.57588001       9.96418994       7.27012997       0.01910364      -0.43523692       0.05532672
Cl       5.92663003      12.84310000       7.05118002      -0.22607604       0.28294433      -0.01922739
Cl      10.85430004       9.63446999       1.27118999      -0.05157630      -0.43071734      -0.59424164
K        6.33471006       7.83414995      11.28159999      -0.08780932      -0.20406840      -0.31070448
K       10.82179996       7.22409006      12.72726543       0.59964980      -0.63341845       0.05482654
K        1.99911003       5.54546996      11.93570004      -0.08335322       0.70832352      -0.53706160
K        7.44915994       3.34180994      10.40430003      -0.29429170       0.11410565      -0.50314001
K        4.05106996      10.61990002      12.45690004      -0.33314899       0.36048280      -0.09984578
K        8.95923006       0.41841398       6.69956005       0.14509692      -0.43290634      -0.15268982
K        2.16458994       4.62140998       2.89574000      -0.36094551      -0.56880909       0.23644198
K        3.46872994       2.72801997       6.89704994      -0.33990541      -0.00372215      -0.18389790
K        7.60967002      12.84757841       0.92296104       0.01645574       0.04055917       0.28199871
K       11.74050001       1.94559997      12.97344251       0.48580212       0.86066004       0.18866756
K        4.02861004       7.75898000       7.47243996      -0.20838870      -0.20666783      -0.19276686
K        4.82466998       1.24542000       3.78666994      -0.03349703      -0.17513569       0.14343016
K       11.12500003       5.39500003       9.51930003      -0.06733942      -0.19772537      -0.15046756
K        2.47721003       7.93748996       2.75095004       0.04867617       0.47197743       0.24992325
K       10.40089995      10.10460004       3.93639994      -0.12216025       0.13665559       1.02436648
K        7.28343006       5.62779999       5.50078001       0.03709166      -0.02704141       0.14104874
Li       9.61418997      10.11329995      12.65399996       0.30267992       0.44011492       0.13177339
Li       0.49868405       8.53139002       5.78725995      -0.45670512      -0.44831598      -0.36556059
Li       9.40344998      11.93309999      10.76379994       0.43969430       0.17547679       0.04761536
Li       0.31899498      11.58039998       7.81357994      -0.28575692       0.61581232       0.35210836
Li       3.51242002      11.40650004       7.83321004       0.05015018       0.08617578      -0.04368672
Li      11.95010000      11.76579998       1.43510002       0.21558529      -0.16367383       0.23340703
Li       8.02739997       8.25501006       7.90545006       0.63161724      -0.50371549       0.84959565
Li      11.96870005       2.81595006       7.31049004       0.10679680      -0.42655161      -0.00110116
Li      12.38870005       9.04659001       8.77756002      -0.31683003      -0.28000445       0.23612560
Li      13.04320529       0.19806803       9.67514997       0.09688319       0.19464688       0.22898431
Li       6.11705995      11.11170006       5.59213996       0.22307251      -0.41209420      -0.40037938
Li      12.96714544       0.86846804       4.81196994       0.19367636       0.56027161      -0.11017256
Li       1.59659003      11.25730003       4.91823004       0.26423641      -0.18574866      -0.33765670
Li       6.41255000      12.17060000       9.11722998      -0.31024822      -0.36782881       0.18304654
Li       1.75623002       2.26221993      10.90640004       0.38417993      -0.05112296       0.03154528
Li       2.36244001       0.58669405       1.08087002      -0.76981197       0.33765965      -0.48076942
64
Lattice="11.40156873 0.0 0.0 0.0 11.40156873 0.0 0.0 0.0 11.40156873" Properties=species:S:1:pos:R:3:forces:R:3 energy=-538.83521894 stress="-0.046500138051446475 -0.002115613707000361 -0.0052635122123984 -0.002115613707000361 -0.04078196946687091 0.001092801403584181 -0.0052635122123984 0.001092801403584181 -0.053316679566418" free_energy=-538.83521894 pbc="T T T" config_type=wetmd 
Cl       4.95471998       1.99980004       0.30143125      -0.06885467       0.25618791       0.13906783
Cl       2.10644005      10.45870004       0.41886296       0.48097562       0.13523999       0.27660431
Cl       2.49296999       1.45227995       9.84559003       0.36011919       0.38364347       0.23956722
Cl       7.83500001      10.21479996       7.23792995      -1.66130544      -0.58991605      -1.25909155
Cl      10.18699997       8.05835001       8.17646000       0.32271814      -1.16819574       0.18742642
Cl       2.82438999       0.29237898       6.20005997       0.02523117       0.61543137      -0.73471127
Cl       0.15873127      10.93720005       9.33301997      -0.01435140      -0.60057963       0.75770512
Cl       8.85448005      10.21650005      10.11060000      -0.04040714      -1.41758067       0.32883547
Cl       5.16559005       7.48259006       4.86541001       0.05544930      -0.30248225       1.08021824
Cl       8.48173997       1.07282001       4.65785004      -0.88565944       0.44202009      -0.51645907
Cl       1.01931005       3.08133005       7.45928001       0.20748990       0.61247860      -0.64412675
Cl       0.68346202       9.62463002       3.04338004       1.07679389      -1.31868836      -0.57417115
Cl      10.43780005       0.20993127       1.16502005      -1.70070471       1.69339730       0.93554980
Cl       7.69493002       5.41926002       8.02789995      -0.38012280       0.49528829       0.71910294
Cl       0.12673129       1.04442999       4.36574002      -0.14193822       1.37945864       0.07409708
Cl      10.84019995       2.76985002      10.34169999      -0.22310413       0.64085593       0.78519827
Cl       9.98054003       5.26935995       4.73296996      -0.39689854      -0.11045344       0.13481200
Cl       7.81338001       1.55252995      10.96749995       0.67864109       0.11574112      -0.88686161
Cl       3.18216997       0.33073123       3.17526004       1.21478081      -0.08860370      -0.35110959
Cl       7.80878005       4.84941999       0.89482704       0.46450208       0.42048508       0.95091018
Cl       4.06182003       5.61818000       1.76924002       0.00677905       0.42453337      -0.56814933
Cl       1.45817000       2.67883004       1.41737997      -0.27989561      -0.07091227       0.01043679
Cl       2.89924004       9.87346995       8.86671998       0.11019820      -1.40523012       0.09730375
Cl       2.23528998       6.52997998       9.08995996       0.18949747      -0.35851923      -0.86325093
Cl       7.24745995      10.19119997       1.63446003       0.28764028       0.08062842       1.56703478
Cl       5.37432006       0.86804202       8.34212001       1.11731183       0.57205282       0.20835962
Cl       9.18742000       9.35255998       4.04997996      -0.77601184      -1.16147152       0.54984595
Cl       9.75408002       1.24727997       7.70092998      -0.21650500       0.33416738      -0.17955801
Cl       5.41998003       9.21714001      10.89350001      -0.40298883      -0.42163070      -1.08499447
Cl       0.24473125       9.98816996       6.42617999      -0.09592102      -0.23805359       0.00719537
Cl       5.62328995       3.34256005       4.91890001       0.03739091      -0.10706132       0.55076864
Cl      11.28320004       7.97245002      11.09250002      -0.64222366      -0.62860428       0.68310124
K        8.33438997       3.37349000       6.32611001       0.21217795      -0.52473338      -0.25182226
K        5.15461000       8.19453000       2.23104996       0.12648442       1.01218799      -0.32344409
K        6.64944995       3.88165005      10.13289999      -0.96087734      -0.37146800      -0.85139048
K        3.24349000       4.83164996       6.64196003       0.14034334      -0.18428090      -0.22318510
K        2.51447996       7.65913001       0.27103125       0.83326038       0.13920148       0.34018630
K       10.57719997       5.46080996       9.40952005       0.29228627      -0.10538564      -0.44409715
K       10.33219998       4.19185002       2.15777003       0.60546365      -0.66044046      -0.36725362
K        4.80431003       8.28352005       7.74040997       0.52878154      -0.14827439       0.15595595
K        7.05157998       5.43334005       3.65472999      -0.14327579       0.48890770      -0.00964081
K        2.85264000       4.09759998      10.55239996      -0.05922233       0.10475572       0.33695792
K        3.84089001       3.13242002       2.76839005      -0.15968446      -0.48828504       0.63833735
K        7.17245006       1.83909002       2.25901003      -0.08662622      -0.33893913       0.30986050
K        8.36519997       7.42934998      11.09309997      -0.32950181       0.84926269      -0.14361945
K        0.08063132       7.63816002       4.88479005       0.23057459      -0.16566144       0.14131074
K        5.56607004       0.10153131       5.59463998       0.58138529      -0.02101639      -0.81794095
K        8.39544001       7.47012997       6.26112005      -0.69150836       0.31784036      -0.90283546
Li      11.38929996      10.11499998       0.30612403       0.13218188      -2.32606302      -0.50108679
Li       9.66108004      10.93360001       5.66396995      -0.36811253      -0.03758284      -0.21876341
Li       9.83320998       0.79276704      10.15050002      -0.38536499       0.33303546       0.45157101
Li       0.51840904       0.73926597      11.21580001       1.59763677       1.43273994      -0.28894258
Li       0.75618396       8.85953995       9.07585998       0.39477532      -0.57998637      -0.28933295
Li       1.07840997       0.44563123       2.37628999       0.35729725       0.16895788      -0.01511057
Li       8.03193999       0.34713125       8.87333996      -1.28598965       0.53121557      -0.62868278
Li       1.52557995      10.79930002       4.73379999       0.46628659      -0.26319901      -0.40946667
Li       9.78749003      10.23910001       7.93027995       0.95163880      -0.28261430       0.73563610
Li       3.19913995       0.88444203       0.78363803      -0.42129541       0.19453978       0.60055534
Li       7.10728998      10.85030003      11.08189998      -0.75126872      -0.08494416       0.20344798
Li       0.48880703       1.50157999       8.92758999       0.26635906       1.54743421      -0.64979218
Li       0.58123122       0.78462803       6.59588002       0.17640876       0.71196704      -0.15872779
Li      10.38310000      10.93109998       3.22738996      -0.87571335       0.03142531       0.13746756
Li       3.26222004       0.35633129       8.13211998       0.06997102       0.62501476       0.43135879
Li       4.45167000      11.37450004      10.13149999      -0.15349839      -0.51923836       0.39183223
64
Lattice="12.49830377 0.0 0.0 0.0 12.49830377 0.0 0.0 0.0 12.49830377" Properties=species:S:1:pos:R:3:forces:R:3 energy=-547.21452805 stress="-0.003206422602418741 0.0018792676730587832 0.0010264516649723917 0.0018792676730587832 0.002010332049653636 -0.00014297484248997476 0.0010264516649723917 -0.00014297484248997476 -0.005566732184337214" free_energy=-547.21452805 pbc="T T T" config_type=wetmd 
Cl      10.91950004       0.07959620       8.01016001      -0.40184047      -0.72438960      -0.31239943
Cl       5.49455005       9.31574995      11.21669996      -0.15615069       0.02056346      -0.23658980
Cl       1.80251999       0.23242296       6.44048004      -0.11394606       0.36020313       0.42085361
Cl       6.52490996       8.83473998       2.53513994      -0.25926258      -0.43410076       0.28656766
Cl       9.10412004       6.20155997       4.51918005       0.99113136       0.26557078      -0.31961664
Cl       0.62664695       3.36024996       2.47772998       0.05610471       0.18458637      -0.08701240
Cl       7.21780005       0.76199296      10.93060003       0.02651745       0.22568746       0.61336739
Cl      11.96549996       4.61225004       9.90703995      -0.60861549       0.65407951       0.57436104
Cl       0.00049618       4.53492004       6.37271999       0.10988698      -0.43640472      -0.44849674
Cl      11.16699995       0.51480501       4.62414005      -0.24471046      -0.95513687       0.13883244
Cl       8.09191004      11.25560005       4.55990002      -0.40842756      -0.16699955       1.26575728
Cl      10.81949999       9.36572004       3.51573998      -0.35666327      -0.36194804      -0.31530852
Cl       8.65043999      10.57810000       1.02691001       0.37430009       0.45151930      -0.19216303
Cl       7.93498996       5.07865999       8.72745004      -0.64254909      -0.17909404       0.04758212
Cl       6.47063995       2.47807006       5.95777006       0.00383028       0.54832158      -0.42023811
Cl       2.95303997       4.04865003       9.44677004       0.48978240       0.22087892      -0.19881269
Cl       9.00372004       6.77408002       0.30936301       0.39345933      -0.26926314       0.42120191
Cl      11.20860005       0.70333505      11.17170006      -0.09439271       0.58102475       0.74748798
Cl       4.85547003      11.79660000       4.63225995      -0.06955938       0.34720519      -0.56198699
Cl       5.75354002       3.60605997       0.58184903      -0.42413725       0.70370569      -0.18429579
Cl       2.55325998       7.69342000       1.32752996      -0.60376811      -0.05501677      -0.09423092
Cl       1.13612006      11.55079999       2.68869997       0.76048235      -0.28632769       0.34785323
Cl       3.92426004       9.94628000       7.44233995       0.23501737      -0.18171815       0.36428874
Cl       0.88030903      10.23420005      10.39720005       0.12783700      -0.71214867      -0.63364501
Cl       3.86916001       6.19791996       5.91533994      -0.18886576       0.10727536      -0.31087213
Cl       3.62467994       0.31011904      10.06349996       0.09499761      -0.15183968      -0.27851458
Cl       0.64384299       8.90195998       5.72417001      -0.50348391      -0.42205845       0.52412486
Cl       5.37548996      12.17420001       1.32236003      -0.96068313      -0.10249691      -0.36155261
Cl       8.32223003       1.29176006       1.99780999       0.25265120       0.22484718       0.48331405
Cl       9.37690002       9.17724999       7.02455003      -0.28997542       0.02174520       0.44182020
Cl       6.89153995      12.35789995       7.93553002       0.64382409      -0.58351416       0.26232498
Cl       9.62777997      10.35610000      10.39589998      -0.29312946      -1.07483176       0.47599186
K       10.30410006       5.89270001       7.47100006       0.49085841       0.07123208       0.28789312
K       12.11539999       7.58215997      11.49859995      -0.19804370      -0.08859264       0.15143967
K        2.99084997       8.92072006       4.14396997       0.74032666       0.32724778      -0.04677048
K        2.45539001       3.58458001      12.36551279      -0.03074396      -0.16268950      -0.08265712
K        1.10368996       5.97228996       4.15895006       0.03854823       0.14943677      -0.18047611
K       10.38720003       3.19215002       4.08305999      -0.04170505       0.44635786       0.10823376
K        3.49473996       3.23002001       5.90257005      -0.29840680      -0.18484030       0.25577533
K        6.77262997       5.91216000       5.91523995      -0.61171539      -0.24411811       0.39527391
K        0.32684102       2.24804003       8.43952999       0.30682182       0.15801775       0.05937804
K       11.51979994       0.83729699       1.71601998       0.14521928       0.08729171      -0.39222333
K        7.71633001       7.44630004      10.40760001       0.05544319       0.57868736      -0.08678149
K        5.06948998       6.47307999       1.53245002       0.61558972      -0.21279400      -0.07884085
K        3.50295996       7.32994995       9.27589998      -0.16018328       0.00162431      -0.41470904
K        5.86054000       2.54425995       8.98316996      -0.35083484       0.00623220       0.03137783
K        8.98451003       3.45702995      11.05870002       0.38434961      -0.08421127       0.22353855
K        2.79462997      10.98559994      12.22425171       0.46402921       0.06254061       0.86958330
Li      12.36448981      10.69570004       4.61743996       0.35303294       0.48043559      -0.45716695
Li       9.33428006      10.92320004       8.39950005      -0.60512329       0.62367127       0.01633958
Li       6.41000006      10.29359999       0.62524502      -0.00462130      -0.53414632      -0.11297042
Li      10.46020000       8.24238999       5.48868997       0.59092756      -0.13440673      -0.98404306
Li      10.14800000      11.45090005       6.19457004      -0.10085784       0.42140817      -0.64193843
Li       8.93911006       7.62738996       2.55056997      -0.23667004       0.33236068      -0.23258541
Li       5.71322999      11.28579995       6.55667002      -0.55742747      -0.62453429       0.03784394
Li       2.68322997      12.32907774       4.51219999      -0.19780067      -0.11664758      -0.54082900
Li      11.58689996      11.33850005       9.94031006      -0.23169785       0.48016130      -0.08402140
Li       2.37937995      11.52950000       8.39798000       0.32256554      -0.12583134      -0.00511544
Li       9.02241001      12.18790002      11.70440002       0.32296702      -0.15600982       0.12289761
Li       5.79333000      11.33099994       9.83555003      -0.22399759       0.46010695      -0.04869114
Li       7.03502998       0.65970097       4.61584005      -0.44768513       0.78497750       0.37211499
Li       9.49657003      11.14389996       3.07824998       0.93467350       0.00279030      -0.71423118
Li       7.06381995      11.66820005       2.56533997       0.21909036      -0.31317324      -0.04537954
Li       6.38190999       1.54700005       0.64807505       0.37340971      -0.31250995      -0.24225322
64
Lattice="11.20663855 0.0 0.0 0.0 11.20663855 0.0 0.0 0.0 11.20663855" Properties=species:S:1:pos:R:3:forces:R:3 energy=-544.61696822 stress="-0.03904594588876428 0.0004284819295747896 -0.00668514153867249 0.0004284819295747896 -0.04812619623765266 0.004538073733949221 -0.00668514153867249 0.004538073733949221 -0.034228021254371806" free_energy=-544.61696822 pbc="T T T" config_type=wetmd 
Cl       8.34195995       8.47782005       4.70204005      -0.10302340      -0.81036168      -0.18633106
Cl       2.53914996      10.24990002       7.78310001       0.69557219       0.72828169      -0.82318034
Cl       2.83342004       2.62633996       8.49258995      -0.68980976       0.47328942      -0.74926805
Cl       5.12189004       8.35651995       1.83113997       0.36381184       0.49592420      -0.44197278
Cl       4.82597998       4.72417002      10.87410004       0.19817758      -0.12181073      -0.15925347
Cl       5.45585000      10.68410000       9.23227000       0.15435692      -0.31187113       0.68145567
Cl       2.59531998       0.72402506       4.57831002      -0.18006141       0.27823160      -0.20864759
Cl       1.47249997       2.24079999       1.44139998      -0.10326136       0.07806873       0.09661751
Cl       2.46928004       7.38636002       9.33336005       0.20076172       1.05603949      -0.18662621
Cl       2.00908996       5.97284003       6.26754997      -0.30569207      -0.26100139       0.04999069
Cl       2.98628004      10.69359998       0.53914903      -1.04993010      -0.49062250       0.00736014
Cl       4.94610999       6.40580996       4.09244004      -0.06327638      -0.56413489       0.53426967
Cl      11.05540003      10.22090005      10.32869995       0.09833685       0.50661243      -0.67387640
Cl      10.84580003       4.50616000       9.14068005      -0.56291504      -0.37543043      -0.21387953
Cl       7.79899999       0.83408400       4.83060003       1.00155044       1.13646301      -0.74248431
Cl       7.20812998       4.66815005       7.55056002       0.23749358      -0.38890276       0.61548856
Cl      10.67880005       8.18426999       7.24935998       0.12298763      -0.48995615      -0.16284886
Cl       7.79229999      10.10649999       1.19669003       0.40784961       1.36700059       0.01794427
Cl       0.77048599       5.42317996       1.93314997      -0.28160514      -0.07452452       0.46516246
Cl       4.69789001       2.79323998       5.12966005       0.22066957       1.42071752       0.28592988
Cl       5.67322998       1.33713005       1.66011994       0.40717850      -0.37116550       0.90446874
Cl       2.02969000       8.53573001       4.83551997       0.26787371       0.94179834      -0.28309792
Cl      10.91900000      10.87339996       3.15551003      -0.36711497      -0.23208810       0.07035347
Cl       0.03056140       0.41206149       6.52594995       0.44911837      -0.09576450      -0.06826242
Cl      10.60859998       4.43405996       5.28602998      -0.60943411      -0.68943440      -0.56303676
Cl       5.42685002      10.38559998       4.76836004      -0.95641816      -0.62579562       0.72724787
Cl       8.20721996       4.47739995       2.51022999       0.45750215       0.30356617      -0.73888912
Cl       7.68938999       1.91553997       9.38895002       1.93893053      -0.15327489       2.22330596
Cl       7.96312996       7.85509000       9.64938994      -0.09809546       0.14669137       0.12600026
Cl       5.73677006       7.63965000       7.21691004      -0.40289207       0.56784411       0.39203915
Cl       8.44544003      10.42810003       7.33887996      -0.61982331       0.69152274       0.78312619
Cl      10.71439995       8.21991002       1.36957002       0.02335524      -0.78551134       1.04526838
K       10.57389997       7.19686002      10.01810001       0.77831374       0.09559006      -0.19258267
K        5.31114999       7.43661003      10.34719998      -0.63474385       0.59279881      -0.52038417
K        7.80502995       4.75652998      10.41919995       0.22923730      -0.34313856      -0.07893073
K        7.87643999       7.45728000       1.55315998       0.08828363      -1.02165731       0.44901976
K        4.32396000       5.08233005       7.25339000       0.49813081      -0.41019531       0.24784042
K        9.51240997       2.32507996       6.70233997      -1.58548432       0.88318396       1.08691136
K        2.40820005       7.82245997       2.12492996      -0.07419685       0.01486526      -0.19789809
K        6.13135995       1.90191001       7.42226004      -1.13364538      -0.30632579      -1.39491538
K       10.80759996       7.06135002       4.39148998       0.45931819       0.10764020      -0.58846709
K        4.32959000       1.83818996      10.57160003      -0.02266409       0.05208737       0.08127814
K        2.10176001       3.98175006       4.00926997       0.38942440      -0.20533701       0.02844337
K        9.93980001       2.31235998       3.27745003       0.07214186       0.48938434      -0.42653139
K        7.70012001       5.56034002       5.09148004      -0.26295112       0.30339067      -0.48333841
K        5.49708998       3.97999005       2.36213001      -0.65327246       0.61406858       0.52895156
K        1.97231997       5.19487002      10.67509995       0.16793532      -1.59031890       0.36684142
K       10.93559995       1.89718002      10.32469997       0.00895862       0.03802473      -0.01639545
Li       0.27026142       5.04133000       7.11118997       0.24367347       0.37461387       0.52987837
Li       7.62989002      10.44640003      10.07690001       0.07174450       0.11877380      -0.38352927
Li       7.37331000      10.12519995       3.79290004      -0.66639340       0.37265880      -1.02583446
Li       0.95325797      10.48829997       4.93683997       0.92225799      -0.40130306       0.11982127
Li       5.27262997       1.17462001       3.94457001       0.08088890      -0.28422734      -0.54852668
Li      10.12810000      10.21869996       1.18507995      -0.44136405       0.13353715      -0.26613328
Li       1.83272000       8.24379002       7.13553998      -0.14607553      -0.58092806      -0.15800709
Li       1.81445004       0.24176149       2.54925005       0.44293434       0.35131966      -0.61293155
Li       5.10077998      10.04460001       7.20760001      -0.28829289      -0.23011339      -0.12270189
Li      10.52900001      10.27860000       8.15208005      -0.07570907      -0.44231963      -0.01252691
Li       9.53838001      10.32929996       4.89985997      -0.09038390       0.50083332       0.90718170
Li       2.15876997       1.28647997       6.85788005       0.27043249      -0.39992125      -0.18280297
Li       5.03305995       8.40091001       5.36857001      -0.69314048      -1.21081152      -1.28835826
Li       7.79689001       8.39048996       7.20786998       0.56196093      -0.37371403       0.25671196
Li       5.01534998      10.49499997       1.06978997       0.84267619      -0.43220962       0.24353038
Li       2.32416998       9.68204004       9.78847004      -0.21216897      -0.16065071       0.83001200
64
Lattice="12.11092791 0.0 0.0 0.0 12.11092791 0.0 0.0 0.0 12.11092791" Properties=species:S:1:pos:R:3:forces:R:3 energy=-546.53255898 stress="-0.009603906148822016 -0.0031319753295953223 -0.002193409106322668 -0.0031319753295953223 -0.003990172467257613 0.0003414065858275193 -0.002193409106322668 0.0003414065858275193 -0.009714485411869518" free_energy=-546.53255898 pbc="T T T" config_type=wetmd 
Cl       7.79540003      11.18300000       5.77711995      -0.68246629       0.03113824      -0.19333510
Cl       0.62969498       8.96227994      11.18329999      -0.26494047      -0.70042160      -0.87898328
Cl       1.51739996       1.47020004       7.37651997      -0.34167098       1.41245395      -0.03117957
Cl       8.16898001       5.82051995       1.91670004      -0.45915440      -1.03561123       0.06128824
Cl       5.71948005       4.24514001       9.99001995      -0.25909885      -0.01977014       0.15073302
Cl       0.79209405       0.29154201      11.17340003       0.29380874       0.29148893       0.02934389
Cl      11.98890692      11.16240004       3.77548998       0.94091795      -0.04675908       0.96350291
Cl       1.74621002       4.69904003      10.00769996      -0.31567391      -0.15921231      -0.17543305
Cl       4.64199005       8.76002006      11.56490006       0.15032673       0.14299470      -0.03425569
Cl       1.93003998       4.93156997       6.28592002       0.46852592       0.79090706       0.39106617
Cl       2.79574001       0.17547209       2.05956006       0.09700434      -0.17598406      -0.11019626
Cl       4.02693997       7.74974995       5.46684997       0.60787527       0.00359035       1.32057777
Cl       8.39899996       9.47436001      11.37599999      -0.27370890       0.31330649      -0.10724764
Cl      10.16050003       4.18756999       8.01203995       0.49692964       0.00140900      -0.13318084
Cl       5.64896999       0.18297214       8.60186999      -0.06956796      -0.60394263       0.28272505
Cl       9.97813997       7.51890004       8.54294003       0.24479940       0.51772926       0.56918773
Cl       9.69558997       7.94767000       5.20774999      -1.07078025      -1.18642365      -1.47984681
Cl       6.70946000      10.44530000       2.69815003      -0.98179788      -0.01840024       0.15322363
Cl       4.14662004       4.38611000       1.60191994       0.04166918       0.38615305      -0.40580678
Cl       6.86498999       3.04668001       6.84756006       0.20667268       0.52378632      -0.34135749
Cl       5.94427001       1.46887002       3.49865996      -0.32915019       0.27580749       0.55178837
Cl      10.06449997      11.21299998       8.11840999       0.53317207      -0.11699292       0.65459681
Cl       9.77782002      11.26969995       1.96189996      -0.26767465      -0.03156362      -1.10177936
Cl       9.74610005       1.47501995       4.59270003      -0.28772723       1.04167183       0.11252158
Cl       0.46847600       3.14026006       4.24377995       0.55988133      -0.48919703      -0.45271921
Cl       3.73422005      11.52070002       5.55639006       0.42840874      -0.14414644       0.26439140
Cl       9.64843001       2.41511995      11.68770003       0.20506429       0.21169515       0.85283812
Cl       6.38679000       0.52958302       0.13227204      -0.58944447       0.27527835      -0.90351786
Cl      11.17729999       7.34011004       1.65632998       0.23705040      -0.61816303      -0.12719467
Cl       0.81140504       9.21658000       6.38019003       0.85037480      -0.14816718      -0.05119371
Cl       6.52554999       8.76941003       8.11449997      -0.33843258      -0.11114304       0.21025014
Cl       2.17280995       8.55822003       2.63442003       0.72188651       0.15562821      -0.33480013
K       11.12309995       6.00847997      10.97930000      -0.13932979      -0.01378488      -0.05843269
K        7.22256005       6.47392001      11.26930005      -0.31334264       0.36453077      -0.24765594
K        7.80426996       2.15680003       9.59636998      -0.60400455      -0.07083498      -0.57473600
K        8.63339001       8.41176996       2.50066997       0.51331365       0.69400637      -0.08802821
K        8.02392004       5.85233996       6.76034999      -0.17338236       0.40029961       0.42483708
K       10.28500001       4.71951997       4.36630004      -0.20321341       0.34691093      -0.04796844
K        4.98413006       8.12496006       2.97675999       0.55719931      -0.25089201      -1.15505016
K        4.12259995       2.93569002       7.43656002       0.09809740      -0.06535257       0.58569119
K        2.62209001       6.69563997      12.06419995       0.09767645      -0.01602054       0.41352040
K       11.15800001       1.93658000       9.33830996       0.33047424      -0.78078629      -0.03648485
K        3.41717001       3.53296998       4.17283002       0.08767097      -0.31892404      -0.13217788
K       11.82579997       1.47622002       1.98731995      -0.25193460      -0.28726910      -0.48787060
K        7.20035999       3.03449000       1.43791000       0.05062710       0.37300137      -0.22310569
K        3.21149000       2.42207004      11.57290006       0.30441047      -0.12691626       0.07677557
K        2.26982999       7.32299004       8.20808995       0.12019148      -0.15618988       0.02128148
K        1.77924997      11.24769997       8.55213998       0.15063647      -1.27326443       0.55883945
Li       0.91523905       3.97097004       7.94032000      -0.46562891      -0.06085995      -0.06201823
Li       8.28877005      11.71650006       0.41988805       0.48108190      -0.50025344       0.11430140
Li       5.90394995      11.50260000       4.61073998       0.07082147       0.33332514      -0.42240330
Li       0.54053397       1.17969000       5.42914998      -0.75592043       0.01847329      -0.52656556
Li       7.43777002       1.83660999       5.17826000       0.61915575      -0.57261741      -0.11917346
Li      10.15590006       9.47881005       9.96745995       0.35097101      -0.08806736      -0.36291052
Li       2.05728005       7.86183005       4.68869996      -0.70970061      -0.08553637       0.57329573
Li       0.14117212       8.98298006       2.53732999      -1.09032325       0.62400995       0.08431996
Li       6.50779997      10.41649998      10.18520002      -0.66325178      -0.21003792       0.15631519
Li      10.77119999       8.97232002       6.49041001       0.41787270       0.80707414       1.61933291
Li       9.38956995      11.49140005       4.09873004       0.04291382      -0.14766504       0.18835228
Li       2.07160002      11.02950004       4.18176994       0.07117679      -0.24570547      -0.62103582
Li       5.16127999       9.96476006       6.62374999       0.09130799      -0.19731834       0.35289567
Li       8.03025999      10.36409999       7.81068996       0.07002174       0.06319126      -0.19153864
Li       5.16841999      12.01005296       1.90140999      -0.16538408      -0.05497473       0.05184433
Li       1.65795999      10.50540000       0.09552567       0.45671673       0.72930802       0.42954597
64
Lattice="11.84670967 0.0 0.0 0.0 11.84670967 0.0 0.0 0.0 11.84670967" Properties=species:S:1:pos:R:3:forces:R:3 energy=-547.0509813 stress="-0.010401968536826125 -0.0010735409240594008 0.0027392449765049026 -0.0010735409240594008 -0.017565606784317896 0.0006674614871524157 0.0027392449765049026 0.0006674614871524157 -0.011505287963068498" free_energy=-547.0509813 pbc="T T T" config_type=wetmd 
Cl       8.80614999      11.68309998       2.97679003      -0.15069194       0.60720884      -0.18094747
Cl       0.19299036       8.21782995       1.26554999      -0.07044563      -0.82348844       0.12445664
Cl       3.25690003       2.67737001       5.20516003       0.65509784       2.13502785       0.25921306
Cl       8.57583005       6.78311996       9.09990005      -0.73493911      -1.52536211       0.26641891
Cl       7.45394001       2.53770003       9.66192004      -0.42058337      -0.05055667       0.06237030
Cl       0.59525001      11.31589995       1.94391000      -0.38367697       0.21288643       0.29428390
Cl       1.26423998       8.99168996       7.90801006      -0.49294392       0.25347563      -0.65849360
Cl       0.41044300       5.64219995       9.68818005       0.19234806      -0.83338350      -0.27891161
Cl       2.36647005      10.19080005      11.01199998      -0.17330803      -0.12259564      -0.07086454
Cl       4.69236003       7.72617005      10.45600002      -0.11640096      -0.50272410      -0.13299047
Cl       1.05997001       0.10939038       5.69920999      -0.48141586      -0.06857078       0.15950731
Cl       6.45295003       9.63663999       4.43558000       0.12539955      -0.03035516       0.46335724
Cl       9.03611002       9.34727001       7.77933003       0.96462288      -1.19700026      -1.65626129
Cl       2.56221004       8.99280994       4.45617005      -1.28822788      -1.12161890      -0.72433759
Cl       3.92892004       3.75157005       8.99665006       0.12463147       0.11978258       0.11620475
Cl      11.16429998       4.36952002       6.05163006       0.49095104       0.09807990      -0.19188279
Cl       6.80437994       4.29445998       1.15474997      -0.14746328      -0.45923644       0.12900606
Cl       7.55879998       8.64816997       1.35164003       0.61437093      -0.39774264      -0.46419354
Cl       3.30313004       5.85483998       2.41762000       0.09227452      -0.11452407      -0.29907241
Cl       7.52993997       4.29193994       4.88783003      -0.14542313      -0.03822860       0.02159370
Cl       7.97026001       0.07719032       6.82231006      -0.53935153       1.43744808      -1.19731742
Cl       1.40137998       1.37494997      11.10740000      -0.12735565       1.14051002      -0.14646168
Cl       9.85904005      10.48559997      11.08830002      -0.46716362       0.36570281       0.51776659
Cl      10.76259997       0.44805097       8.35966006       0.33519096       0.63863395       0.26828639
Cl      11.29900003       3.82742003       1.74037998       0.02883696      -0.04847601       0.48221983
Cl       4.34406002      11.53050002       6.99573001      -1.22005135       1.60381968      -0.22866093
Cl       5.50194001      11.82280005       0.49305401       0.77948346       0.57204442       0.67030863
Cl       3.57282998       0.13219033       3.18392003       0.54326268       0.63485046       0.72991387
Cl      10.21989995       8.80675002       4.01954997      -0.06304923       0.09780832       0.36828562
Cl       4.59878003       8.65601995       7.03236999       0.68127701      -1.19791799       0.11305354
Cl       6.30787996      10.31869997       9.43234005       0.40581060       0.43256136      -0.42415607
Cl       4.39133005       9.22743000       1.64227998       0.23138469      -0.46631188       0.38763916
K       11.07819999       8.15224005       9.93701995      -0.00821944       0.29782265       0.03201647
K        9.25770000       6.74037004       5.76373002      -0.16260599      -0.03435559       0.68258766
K        8.04185999       1.54080000       0.51369904       0.42719165      -0.25576754      -0.29215000
K        6.06889000       5.24760999      10.31500001       0.51147900      -0.20272288       0.09256379
K        9.83245995       3.52464005       8.54870002       0.38664529       0.17142272       0.24239688
K        5.56646998       2.24619006       3.08111002       0.12071593       0.31387241      -0.09361742
K        0.97050200       5.94698997       4.01018005      -0.18937420       0.22304773      -0.06017357
K        4.07357997       0.90215597      10.17069997       0.15802395       0.00551253      -0.44327240
K        9.25009003       5.74111003       1.14544995       0.40050134       0.65077540      -0.35462635
K        1.60180996       2.84667003       7.67802005      -0.76848798      -0.36159589       0.20866761
K        6.28783995       6.49773000       3.02557999      -0.68380279       0.39739638       0.17043524
K        9.85246999       2.43146999       4.37392000      -0.46657883      -0.30103684      -0.12413566
K        2.10507004       4.39214001      11.73749995      -0.14343536      -0.09823660       0.11596398
K        1.03337000       2.05646002       3.55030997       0.01449677      -0.20967889      -0.84567963
K        3.02686998       6.60297000       8.33392000      -0.35409696      -0.18100966       0.00811328
K        5.97181996       2.55449001       7.06465997       0.06983938      -0.07525272      -0.05704339
Li       6.21582001      10.50869999       7.01791997       0.44321473      -0.59094028       0.09445215
Li       5.79745002       9.48834999      11.42460003      -0.11290767      -0.15073570       0.40012967
Li       8.53233995      10.61350001       4.98307995      -0.18394690      -0.29583479      -0.12452712
Li       3.27848995       0.67366599       5.27474997      -0.32212484      -0.77069713       0.31866516
Li       4.25726001      10.24489994       4.47835005       0.98448039      -0.25778295      -0.29342317
Li       2.99526995       9.89155003       8.90138000       0.63034719      -0.30663084       0.21774368
Li       8.61587998      11.05669999       8.85578995       0.01816382       0.91761155       0.92376697
Li       2.40496997      10.21660005       6.20277003      -0.38059488      -0.36322863       0.93386984
Li       2.84550005      10.94640001       1.47601994      -0.24089588      -0.08085061      -1.06601566
Li      11.01190000      10.75880002       6.78818999       0.15618207      -0.24853234       0.41118308
Li       0.40706100       9.45905995       3.30908005       0.20721625       0.31893489      -0.18512141
Li       6.32436999      10.36320000       2.26043004       0.12986815       0.06749796      -0.13705871
Li       6.75342997       8.02732005       8.30161000      -0.10746521       0.55592535       0.52396224
Li       0.09308268      11.34450004      11.16109995       0.48111750       0.15874231       0.15009102
Li       2.50456004       8.26652004       1.61450004      -0.33043380      -0.84181811      -0.19132180
Li       9.71902000       9.67759004       1.55411997       0.07303612       0.19639897      -0.03777658
64
Lattice="12.23228838 0.0 0.0 0.0 12.23228838 0.0 0.0 0.0 12.23228838" Properties=species:S:1:pos:R:3:forces:R:3 energy=-547.94181321 stress="-0.004164348938426352 6.415569211631327e-05 -0.0016655676692295923 6.415569211631327e-05 -0.004583707235930727 0.0013727166539865166 -0.0016655676692295923 0.0013727166539865166 0.0004584933586368308" free_energy=-547.94181321 pbc="T T T" config_type=wetmd 
Cl      10.50659995      10.57160000       4.92689004       0.31301363      -0.63987877       0.17785631
Cl       1.29032000       7.02397999       1.83126005      -0.48746855      -1.04541755      -0.20248803
Cl       0.50540794       3.98892001       5.14406001       0.31356578      -0.23111838       0.23169321
Cl       8.48068994       5.70370005       5.12549005      -0.00492344      -0.30972900       0.88524562
Cl       8.57641004       1.06974004       5.58662005      -0.09884000       0.68995664      -0.24712452
Cl       1.25879997      10.61270000       2.82484994      -0.65415267       0.00025616       0.04326578
Cl       1.43667004       1.06677004       9.69053995       0.11038812      -0.25658014      -0.06746222
Cl       1.09662000       1.32662005       0.89730098       0.05074286       1.48744904       0.37225920
Cl       2.63861995       9.76543997      11.78179999      -0.69548094      -0.46267125      -0.62805946
Cl       6.81987997       9.06315004      12.16030002      -0.30780293      -0.79021344      -0.12656219
Cl       1.19292004       0.00780860       5.78915005       0.52337521       0.13188936       0.54404003
Cl       0.29301162       7.76801003       5.36237994      -0.18427617      -0.11991023      -0.04361598
Cl       8.49610996       9.97442996       8.61313002       0.32213030      -0.16001862      -0.82631802
Cl       2.97408997       9.43526005       6.17628998       0.76817394      -0.48569158       0.54223461
Cl       4.79999999       3.85760003       5.59008998      -0.05528147       0.41065710      -0.17538940
Cl      10.18759997       4.59374000       9.54075999      -0.21226739       0.51001200       0.55061802
Cl       4.66741997       3.97961001       9.80801004       0.14830291       0.96279625      -0.23042142
Cl       9.84264002       8.22831997       2.38124001       0.22036748      -0.40362198      -0.29253229
Cl       1.98333003       6.43812995       9.96358995      -0.04880660       0.15953377      -0.23197956
Cl       5.74022004       4.27623004       1.65975994      -0.05692167       0.25088059      -0.12367950
Cl       4.90828999      11.88369997       4.87198004      -0.16063798       0.64166754      -0.10554541
Cl       4.59964000      11.87719997       1.20110002      -0.20120549       0.65151541       0.18807504
Cl      10.73839998      10.78009997      12.05080000       0.37315243       0.30573050      -0.14752661
Cl      10.07310000       0.96935405       8.50488002       0.27031823      -0.74999715       0.40926832
Cl       9.93938005       3.75088004       1.42624005      -0.01398891       0.41124548       0.11166528
Cl       4.90052995      11.78720005       8.52780003      -0.29818565       0.15543310      -0.37347935
Cl       7.77946997      11.71960002       2.34022001       0.56968597       0.37980764      -0.67908767
Cl       7.26977999       9.82949997       4.75145995      -1.23609154      -1.32369877       1.83359758
Cl       0.44027296      10.03579996       8.75011000       0.43530771      -0.75291115      -0.36618444
Cl       5.35971000       8.59419004       9.06712994      -0.63364327      -0.85323220      -0.49856786
Cl       7.61563999       0.05281156      10.78109996      -0.71419061       0.47408310       0.03603917
Cl       4.46560996       8.51034003       2.74163001      -0.15552720       0.41576173      -0.26972412
K       12.13459998       8.07711995      11.64039999       0.04649983       0.50925305      -0.14184220
K        6.01587001       6.65354006       4.12781996       0.09122100      -0.03399919      -0.18485340
K        9.82061994       1.76440999      11.56159996       0.12344579      -0.33120191      -0.24932605
K        8.30596002       5.99152995      11.66349994       0.00411116      -0.00116964       0.34656601
K        6.54172997       4.96704999       7.70820001       0.25797475      -0.01047489       0.10305146
K        4.74535004       1.47308006      10.80529995       0.09842929      -1.14069908       0.75811785
K       10.15099999       8.11167005       6.99675006      -0.37838330      -0.02125431       0.05406125
K        2.88610997       2.62842997       7.76128998      -0.11391782      -0.08912544      -0.58567024
K       10.88729996       5.63704998       3.61756999       0.42882212       0.11966783      -0.44210015
K       10.45280002       3.21188003       7.00558996       0.18072457       0.36763719      -0.45660959
K        4.04838006       5.94211004       0.00151167      -0.14931538       0.54880837      -0.18985269
K        7.46446004       3.17356997       3.68128994       0.23304004      -0.44822374      -0.02254421
K        0.51771167       4.36266999      11.72169994      -0.23188160      -0.44321250      -0.01736332
K       11.41899998       0.86958996       3.87000002       0.06782020       0.34819357      -0.42325613
K        2.65912005       6.28809995       6.10897998      -0.18625776      -0.27986375      -0.02685468
K        3.67264000       2.33974001       2.73871995      -0.18401192      -0.44495109       0.20573682
Li       8.72465999       9.93095005       3.34800999       1.04904563       0.33872178      -0.76479618
Li       8.20896996      10.73600000      12.21505627       0.55531533       0.40621702       0.58774037
Li      11.80309995       8.83144004       3.50985002      -0.24918029       0.44802707      -0.19219067
Li       2.97691001       8.54608999       9.25171003      -0.09758719      -0.09045223       0.56056015
Li       6.97476998      11.81469995       5.83833999      -0.39794492       0.09472093      -0.36418821
Li       4.68596999       9.91232003       0.21543298       0.30331566      -0.10145647       0.14709441
Li       6.55999999      10.44120002       9.74656995       0.31332318       0.18587268       0.18602409
Li       2.54963006      11.40540000       8.37099995      -0.44246738       0.43509577      -0.03701206
Li       3.00089997      10.93799998       4.20856995      -0.11013329       0.20022639       0.57742700
Li       9.48623004      11.56219995       6.67885001       0.23563612       0.04984385       0.85846911
Li       0.75908799       9.94231996       6.38606003      -0.22536940       0.35999224      -0.22859611
Li       5.74601998      10.65870001       2.77250003       0.27862442       0.21261486       0.32279503
Li       5.18741002       9.94454000       7.06526995      -0.20579473       0.00381502      -0.08075872
Li      11.60226743      11.83370000       9.47729998      -0.02881709       0.34934377       0.27302937
Li       2.27769002       8.77664000       2.46470996       0.61155315      -0.04459840      -0.40291508
Li       0.69764997      11.52880006       0.75426296      -0.07667221      -0.95135394      -0.46005338
64
Lattice="11.17011297 0.0 0.0 0.0 11.17011297 0.0 0.0 0.0 11.17011297" Properties=species:S:1:pos:R:3:forces:R:3 energy=-541.01353958 stress="-0.052401577953421104 0.004431562430648096 -0.0045136755749119965 0.004431562430648096 -0.04527204064666876 -0.006974804191325771 -0.0045136755749119965 -0.006974804191325771 -0.04615559297268707" free_energy=-541.01353958 pbc="T T T" config_type=wetmd 
Cl       0.98989195       0.99952304       3.33610995      -0.22830285       1.08133437      -0.25951374
Cl       2.86232000       8.11422999       2.78782998       0.56118350      -0.15683491       1.56733056
Cl       4.98557004       3.78969004       9.08022996       0.80531061       0.64105440       0.58431094
Cl       5.58297002       3.67126003       5.10536000       1.34778551      -0.90402457      -0.56021765
Cl       9.46012003       1.08095004       5.49145999      -0.97061856       1.29724882      -0.23470509
Cl       3.26221005      11.10799999       1.48575996       0.81338140      -0.05761473       0.31590717
Cl       3.22674002       0.08028697       8.87908996       0.69529197       0.15611825      -0.48439194
Cl      10.81509997       5.05421005       3.32127001       0.29534078       0.13797126       0.45136781
Cl       3.22539000       8.55520002      10.93570000       0.60315141       0.40651250       0.54391004
Cl       8.75365998       8.84549004      10.77550002       0.30006963       0.01452207      -0.41435667
Cl       3.41907004      11.00760000       5.05214994       0.42351328      -0.58122605      -0.13926087
Cl       0.58388705       9.49266996       5.21656004      -1.87175934       0.76699622      -0.45321985
Cl       8.88371997       9.14411999       7.22509000       0.47663725      -0.22575332      -0.88256029
Cl       2.64591995       8.38694997       6.94291999       1.38007918      -0.07590718       0.90274602
Cl       2.99422005       4.88132998       6.33955003      -0.70469984       0.07174479       0.50584973
Cl       0.92395600       5.10141997       9.91248995       0.01927299      -0.02804877       0.21683091
Cl       6.14489004      10.96000002       7.01201999       0.05061170       0.60662552       0.26934985
Cl       0.28248702       9.16468004       1.54089005       0.58295119      -0.15489670      -0.64779119
Cl       3.33228005       3.86836997       2.06854999      -0.23087559       0.89510295       0.23997087
Cl       8.75380999       4.70508995       0.75007297      -0.03943182      -0.53566692      -0.32604648
Cl       6.40066999       0.13988701       2.74263995      -0.56760017       0.58054942      -0.15583247
Cl       6.27350004      11.01410000      10.76850005       0.21788353       0.09612091      -0.76711751
Cl       0.98426500       1.26149995      10.68919995       0.25214396       0.01384352      -0.81844384
Cl       1.14778708       1.55205000       6.43497005      -0.16400110      -1.01870826       1.95840105
Cl       8.77235998       5.16485996       7.48869998       0.01022974      -0.32828540      -0.01870837
Cl       5.49765002       8.43290002       4.88870003       0.23843635      -0.06980651      -0.09474269
Cl       9.88224999       0.41281800       1.42168004      -1.82323456       1.34268492      -1.06596775
Cl       8.78783997       9.46580003       3.40684000      -0.70049054      -0.15263993       0.86203915
Cl       0.62158707       9.50171999       8.75632003      -0.08394720       0.28262248       0.31318059
Cl       6.02137003       8.00285000       8.45779005      -0.60666864       0.68121160       0.32689336
Cl       9.37572000       0.64988700       8.99614995      -0.51638649       0.00334395      -0.40556897
Cl       6.20532001       7.77662997       1.46023000      -0.14820583       0.57993911       0.74847958
K       10.00700005       3.24801998       9.59439998      -0.35900108       0.39956817       0.13240457
K        1.42479996       6.90207000       5.28200998      -0.89163855      -1.10809988      -1.46298578
K        8.30099998       2.52698997       2.90770998      -0.14257561       0.15860227       0.36539888
K        4.81680002       5.90992001       3.53386999      -0.06874044       0.32189359      -0.55294330
K        6.81545001       6.32217995      10.44760002       0.19139153      -1.01664709      -0.32884592
K        4.71345000       2.16052995       0.51906398       0.61219730      -0.10919275      -0.57305291
K        5.77454003       6.08077001       6.46162998       0.30228576      -0.06006110       0.55123719
K        3.02278002       2.45525003       4.74585997       0.80660506       0.98765369      -0.78796081
K        9.37939999       7.23067997       2.11380001      -0.44097439      -0.86454652      -0.27512082
K        7.13081000       2.66560996       7.44897995      -0.09576008      -0.51838291      -0.27618975
K        1.44972998       6.55550004       1.22176004      -0.14840148      -0.82061257      -0.32922895
K       11.04629998       3.77015005       5.87709998      -0.70378000       0.84339662      -0.11165769
K        2.42115002       2.94121998       8.70091996      -0.01643569      -0.28236773      -0.44125474
K        3.07097000       6.82086003       9.14573999       0.55949303      -1.85976612      -1.52822347
K       10.32440004       7.15452996       8.87603002      -0.44718590      -0.04146955      -0.11862460
K        0.71768702       3.22260999       1.37317997      -0.61503400       0.39513085       0.38447022
Li      10.73440004      10.57259995       3.25901997      -0.71042353      -0.21341850       0.03987097
Li       7.84015999       9.97002999       1.34829999      -0.60296628      -0.39563140       1.07248581
Li       1.82545002      10.14230005       3.45725005       0.75965900      -0.43780744       0.21132243
Li      10.90350002      10.55589996      10.35719996      -1.36463336       0.16008322       0.28710157
Li       6.65449997      10.32250000       4.71024999       0.19293462      -0.03907553       0.46016348
Li       7.39432001       9.95455000       8.69147998       0.39793718      -0.20138926      -0.34352228
Li       9.46142001      10.22320004       5.25032003      -0.29200798      -1.43951133       0.52504634
Li       4.96918996       9.93039005       9.16541994      -0.15297638      -0.10919575       0.03589230
Li       1.17498698       0.03498703       1.29824995      -0.73693552       0.60367550       0.77013748
Li      10.58730004      10.95449997       7.05702002      -0.27963459       0.13934544       0.64860699
Li       1.72587997      10.54819995       6.89290000       0.75509276       0.01344326       0.10271933
Li       4.20800998       9.71930999       3.44328003       0.84382991      -0.02193468       0.03111506
Li       4.10385002       9.89454996       6.81972995       1.02772299       0.18139914      -0.33982880
Li       8.48671003      11.14730002      10.81019998       0.19349141       0.36853566      -0.02861743
Li       4.90176995       9.65457003       0.74398705       0.05820491      -0.42748012       0.53498301
Li       1.96229005      10.25450004      10.57179994       0.95120795       0.02772901      -0.73302061
64
Lattice="12.67054886 0.0 0.0 0.0 12.67054886 0.0 0.0 0.0 12.67054886" Properties=species:S:1:pos:R:3:forces:R:3 energy=-545.14624349 stress="-0.006730889522414383 0.000349540058648695 0.0008516762398634049 0.000349540058648695 -0.0007047075992384872 -0.004278011063834892 0.0008516762398634049 -0.004278011063834892 -0.008705376965890127" free_energy=-545.14624349 pbc="T T T" config_type=wetmd 
Cl      11.13990006      12.43659997       4.89492001       0.30689523      -0.23844758       0.54689268
Cl       3.11588005       9.61197998       5.61802000      -0.34829963      -0.18766346      -0.02333496
Cl       7.99791006       4.56357996       5.93998004       0.19432454      -0.28509997      -0.53576390
Cl       6.55962994       3.37146998       1.63954001       0.04258349       0.19059691      -0.25702869
Cl       8.95374003      10.12920002       6.39992996       0.04912156      -2.10194458      -1.44299537
Cl       0.92133706      11.36730004       2.85868996       0.37803611      -0.13213392      -0.02410219
Cl       1.26489000      11.18039995      11.80589996      -0.37748627       0.18548852      -0.47343693
Cl      11.56320003       3.96591005       0.73142897       0.05823794       0.03936415      -0.62987597
Cl      12.61031573       7.91873003      12.63067033      -0.07817360       0.72848019      -0.14697612
Cl       8.87952001       8.83819995      12.65798652      -0.56500425      -1.69853768       0.90664450
Cl       2.94526997       0.61351000       6.17801999       0.00806885       0.02269501      -0.17508720
Cl       0.02346345      10.42329993       7.27792006       0.15095144      -0.25782622      -0.04219795
Cl       6.70429998       9.80606998      10.06540001      -0.71829730      -0.48407314      -0.17569597
Cl       3.03950996      10.09520000       8.83477004      -0.06368759       0.15285607       0.03036786
Cl       3.58146000       4.62312001       5.63863004       0.15232490       0.41309572       0.37493192
Cl      12.18589999       5.89586005       9.24052004      -0.30257065      -0.14589393      -0.16636996
Cl       6.78113001      11.74350004       7.26472001      -1.54975374       1.48305246       0.57524601
Cl      11.10030003       8.87633995       3.67710997       0.34712853      -0.55466344       0.26422567
Cl       3.58937998       4.13309997      10.23849998      -0.08684570      -0.42093797      -0.29927328
Cl       7.79953995       4.81764005       9.76999997      -0.20426898      -0.14672453       0.44153392
Cl       5.05638994      11.89500002       3.77034000      -0.35463052       1.46292937       1.31770215
Cl       2.60196005       2.12662999       1.79202005       0.59277360      -0.05947321      -1.00201171
Cl       9.77006003      12.08079994      12.28169998       0.35579951       0.55840802       0.20567542
Cl      11.35679996       0.97928100       8.42491997       0.28731647       0.07497252       0.29369003
Cl      11.65040002       4.17966994       4.14308994       0.51042364       0.19571659       1.16520760
Cl       6.33935004       8.23201999       7.04230005       0.20435621      -0.52513717       0.40321959
Cl       8.42360997      12.29630000       3.21550997      -0.08512563       0.64106922       0.77486053
Cl       7.29429003       9.33956001       3.38178001       0.05472497      -0.51125631       0.29367331
Cl      10.26510002      10.31049999       9.61586997       0.33954695      -0.42687976       0.00419780
Cl       3.30086005       7.86521001      11.43070005       0.06556390      -0.08743459      -0.41020747
Cl       6.40911003      11.85689994       0.27017500      -1.07815273      -0.18067752      -0.61918447
Cl       3.82629999       9.20623999       1.90654002      -0.19849727      -0.26318996      -0.18381665
K        1.92661004       2.68064999       7.64722994      -0.20840155       0.51243250       0.63095316
K        5.12298001       7.75660997       4.52667002      -0.24319205      -0.16968290      -0.67465026
K        9.35747997       4.11312003       2.74394002      -1.17519947      -0.15575334      -0.54500124
K        5.45339004       5.58592005      11.86300004       0.29297865       0.34713327       0.32830732
K        9.03256997       7.37976998      10.15160003       0.43977048       0.28464426      -0.12951637
K        5.04903000       1.86674994      12.16160003      -0.26516575      -0.17599584       0.24294884
K        9.63735998       6.96197004       5.78106006       0.01329483       0.50733315      -0.13983368
K        0.01807441       1.16752000       0.62745394      -0.05930615      -0.56825391       0.25285961
K       12.62929951       6.29577995       2.41150004      -0.11166034       0.44901478       0.02609516
K        9.99945994       2.24067000       6.01497005      -0.01381880      -0.17724263      -0.02678039
K        1.19725004       5.40423997      11.60890004       0.05679134      -0.11064915       0.00523117
K        1.71223994       3.20446999       4.05556001      -0.58001020      -0.34869793       0.51409448
K        5.02356004       2.31570005       4.12862004       0.19626096      -0.37415151      -0.12290633
K        5.90461996       5.36842995       7.70093001      -0.60648156      -0.19399588       0.02014574
K        1.36477003       7.48973996       7.67368997       0.36166228       0.37053178      -0.25607844
K        9.93278003       2.92961006      10.36480001       0.28251785      -0.18694744       0.14751406
Li       9.72014998      10.65940003       4.30318004      -0.12108310       0.13504252      -0.60738665
Li       7.00265999      11.18400003       5.15577000       0.00954061      -0.15606410      -1.01469674
Li      12.59059998      10.35769994       4.77746998      -0.07420609       0.50152959      -0.23718729
Li       7.91160994      10.40950006      11.73240001       0.06555670       1.30267110       0.21847533
Li       5.27568002      10.05609995       7.70601001      -0.90129529       0.37889026      -0.24815677
Li       5.83455005      10.79950006       2.29004003       0.71621004      -1.12326240      -1.15003023
Li       7.56604999       9.92386998       8.06825999       0.80228113      -0.18662779       0.09075475
Li       1.33720006       9.07764000      10.97180001       0.35253371      -0.24948254       0.35361786
Li      10.67549999       9.70000001      12.19889997       0.90876771       0.77598054      -0.28051455
Li      10.36029994      11.23620003       7.18991005       1.86606286       1.42049283       0.94509047
Li      12.51169996      11.37990002       9.45047002      -0.60542130       0.21420950       0.01960651
Li       2.17713999      11.35729994       7.07025002       0.18443009      -0.21110014      -0.48350231
Li       4.48470998       9.84273995      10.40740004      -0.07046530      -0.42534193       0.94326119
Li       8.14636999      12.59033212       1.16154000       0.78796958       0.17596547      -0.14724904
Li       3.27689004      10.67729997       3.44362001      -0.71802315       0.12137462       0.34389125
Li       1.24915001       9.93857998       1.16303994       0.32971734      -0.12472653      -0.01006682
64
Lattice="12.41375187 0.0 0.0 0.0 12.41375187 0.0 0.0 0.0 12.41375187" Properties=species:S:1:pos:R:3:forces:R:3 energy=-547.96283482 stress="0.001119925441867988 -0.0014311626447620176 -0.00043804656795551214 -0.0014311626447620176 -0.0041657970184756305 -0.0014904010575361405 -0.00043804656795551214 -0.0014904010575361405 -0.0010595555433534885" free_energy=-547.96283482 pbc="T T T" config_type=wetmd 
Cl       3.93817005       0.86871895       7.87964005       0.72677064       0.58790075       0.21351828
Cl       3.84419000       9.66634999       7.80318996       0.60149291      -0.06429413       0.33757934
Cl       4.29140994       5.93519005       4.17845994       0.66534062      -0.19600365       0.57782246
Cl       7.80701997       2.96358998       2.44937997       0.32770155       0.49677958       0.77609152
Cl      11.12499997       5.86758997      11.80550000       0.10406519      -0.47095414      -0.13082112
Cl       7.85759000      11.09570004       1.48644996       0.37008292       0.28212065      -0.51233975
Cl       2.35636001      11.34990004      10.28210001       0.00160004       0.12974571       0.36597543
Cl       0.18784812       3.50473000       8.27435006      -0.32150724       0.89338283      -0.04413399
Cl       4.87514006       4.24025994      12.18749995      -0.22572816       0.24128010      -0.14642967
Cl       8.85659996       5.44945000       5.51261998      -0.03805007      -0.14100455       0.47753166
Cl       5.96538005      10.14049994       4.44708000       0.12189158       0.09341665      -0.06776765
Cl      12.36369999       8.92695006       7.94069001      -0.16033871       0.05379162      -0.13788085
Cl       6.54066000      11.57949995      10.45150006       0.38356972      -0.00910140      -0.42148388
Cl       3.47054004       1.12185000       4.09527005      -0.21325023      -0.20134846       0.28448093
Cl       0.59584805       1.87838004      11.90709998       0.02271749       0.92415707      -0.20929248
Cl       0.23692005       7.93297995       2.94496004      -0.32138651       0.04469249      -0.09967832
Cl       3.57914001       9.13398003       1.60786005      -0.18266951       0.67924459      -0.14661604
Cl       0.72210596      11.82620006       1.88014006       0.00579179      -0.53108418      -0.39991268
Cl       1.19421001       4.17298995       2.98825002      -0.62418476       0.15610014       0.28210706
Cl       3.51896994       6.10113994       8.01044003       0.19609109      -0.47985381       0.27340183
Cl       7.80041002       0.28195603       6.17424006       0.03314714       0.42883662       0.63526294
Cl       6.72386004       8.33702002      12.04390002      -0.14514162      -0.45805989      -0.37900885
Cl       9.96286002      10.31860004       4.44922001      -0.11027861      -0.15912362       0.54553150
Cl       8.98985004       2.51905998      10.73980001       0.43815395       0.09900895       0.04142853
Cl       2.12810003      10.44370000       5.01650004      -0.26439147       0.27695858      -0.16159689
Cl       8.33466997       8.78142005       8.30499006       0.37306375       0.06807178       0.27692431
Cl      10.83990004      12.00149998       8.60415005      -0.63798991      -0.73572866      -1.11596307
Cl       9.18259005       7.70293997       1.88925001      -0.22999503       0.30133883       0.37475829
Cl      10.98410004       9.54845994      11.78200002      -0.81212798       0.70890591      -0.57227140
Cl       1.65360001       7.81147998      11.10009997       0.53021662      -0.40845600       0.06832457
Cl      12.20730000       1.11110006       5.24130005       0.17803121      -0.35583921       0.31960800
Cl       4.54905003       0.03454809       0.92719902      -0.67864521      -0.94263030       0.03726863
K        2.32327997       4.16546994       5.75537003      -0.21087878      -0.41588526       0.19244569
K       11.02649995       6.47806999       8.64260997       0.00967025      -0.67742841       0.07215666
K       10.90890001       5.61570998       3.37497004      -0.07842764      -0.41238495      -0.20923564
K        2.63830002       6.43237000       2.00774995       0.01879239      -0.02746153      -0.76423347
K        6.97729994       5.80706002       1.21909002      -0.05144203      -0.36734848       0.25921994
K        1.14696997       0.85211804       8.12911003      -0.28170481      -0.19602669       0.09854379
K        7.01822994       7.82160005       5.61221005      -0.03819485      -0.41033555       0.29631007
K       10.96629996       0.14802605      11.20360000      -0.24525881      -0.25702628       1.08697720
K        6.07374006       6.70148996       9.62306001      -0.22526798       0.04250378      -0.03638181
K        5.60552003       2.82746003       4.79674001       0.60193296       0.12972020      -0.06662979
K        2.05885004       4.74983999      10.40780005       0.02535875      -0.09633847      -0.03048020
K        9.64844005       0.75868395       3.84762005      -0.14299449       0.19206353      -0.22424263
K        6.83118996       1.44065997       0.40334812       0.29597359       0.21774965      -1.02722863
K        2.84291006       2.55584999       1.35757995       0.17507658      -0.54857153      -0.03713993
K        2.41722997       7.83717000       5.98958004      -0.02497346      -0.15109291      -0.06632305
K        8.92614006       2.99974999       7.39013006       0.33739337      -0.40091376       0.15250345
Li      11.78889996      10.77799998       6.67606002      -0.16062034       0.12143448      -0.35570591
Li       7.94855996       9.85308000       3.25920002      -0.03314544      -0.04104185       0.39400593
Li       1.34384996      12.22876586       4.00465004       0.00366577       0.84245944       0.10293328
Li       4.60434002      11.33290003       9.18569994      -0.15412822       0.52335296      -0.07354621
Li      11.09840003       3.21602995      11.76570002      -0.07529755       0.52449660      -0.25541195
Li       8.75526005       9.30175003      12.39854341       0.09745413      -0.19367845       0.41156981
Li      10.39030001       9.38832999       9.22635002       0.38645724       0.47748884       0.05300515
Li      12.24643386       7.90837999      12.23709996      -0.11949496      -0.81837026       0.32379120
Li      10.59639995       9.16541004       2.78653996       0.67114569      -0.29026131      -0.36479782
Li       8.43475001      11.49880001       8.41816996      -0.44595263       0.12426546      -0.40812832
Li       4.81935005      10.85190004       2.73446005      -0.49916528       0.28924718      -0.28555159
Li       6.20254999      10.42419998      12.41029998      -0.48335258       0.58832592       0.00097818
Li       2.52945004      11.05529998       0.07271405       0.16681062       0.29765379       0.64035588
Li       2.87064995       9.23405995       9.93404994      -0.23247706      -0.15620318      -0.61199257
Li       1.38891002       9.74027003       2.57213001       0.63485321       0.44064708       0.24421817
Li       3.88418004      11.94730005       6.23176005      -0.03585083      -0.66329090      -0.85440352
64
Lattice="11.35663943 0.0 0.0 0.0 11.35663943 0.0 0.0 0.0 11.35663943" Properties=species:S:1:pos:R:3:forces:R:3 energy=-545.34544534 stress="-0.032494063441023596 0.0005110752581017814 -0.0022742823373496576 0.0005110752581017814 -0.02154193823697568 -0.0019611630261032456 -0.0022742823373496576 -0.0019611630261032456 -0.0382000238147527" free_energy=-545.34544534 pbc="T T T" config_type=wetmd 
Cl       5.18328005      11.25850001       5.57731002      -0.29180522      -0.78111554      -0.71803011
Cl       7.35734003       8.89379999       7.45987004       0.48618671       1.21865596       0.92394053
Cl       0.22536059       6.01870000       9.15346001      -0.02341763       0.04857413      -0.28273945
Cl       5.08963003       7.26799996       4.08334001      -0.18889858      -0.10198958      -0.30327642
Cl       2.73773996       3.59388997      10.60850002      -1.56250714       0.77428832       0.00024769
Cl       7.39209998       0.89034895       3.09566001      -0.50912236      -0.08908606      -0.77376311
Cl       3.22439001       1.20325003       7.75392001       0.14565840      -0.60791329       0.30276178
Cl      11.12348842       1.61368999       9.63515006       1.00182573      -0.47112476       0.60220235
Cl       0.03716051       4.14005995       5.98118005      -0.34586117       0.25110993      -0.98106829
Cl       8.14035999       5.31990997       6.97675996      -0.80785209      -0.37302190       0.33255794
Cl       6.37933997       9.22188002       1.40902995       1.06052839      -0.57028234       0.27586380
Cl       3.48522999       8.68710995       6.73643996      -0.93935376       0.04062043       1.28367906
Cl       8.14397004       3.62112002      10.53759996      -0.86269843      -0.35802985       0.20571571
Cl       6.13144997       4.48260005       2.46079002       0.75949723       0.32060224      -1.01091831
Cl       4.39382996       4.70920997       7.79715996       0.11809291       0.78909391       0.22958380
Cl      10.08939996       9.97185000       1.15245996       0.48076219      -0.07141503       0.10573570
Cl       3.27105002       9.61311999       2.41574005      -0.59318812       0.13036744       0.87905773
Cl       1.85417001       9.79808001      10.48279997      -0.03966829      -0.44517550      -0.87770904
Cl       1.14642004       6.89610000       1.19611999       0.31123810      -0.34604268      -0.54820891
Cl       4.35790006       3.31604002       4.62719005      -0.40648748       0.29744615       0.28081878
Cl       7.99329003       1.03396001       6.02510004       1.45929934      -0.07371077       0.12840922
Cl       5.17547997      10.33040000      10.08329997       0.02563618       0.23655271      -0.56340133
Cl       8.50846002       8.50625001       4.47458998       0.15894563       1.05321662      -0.07567058
Cl       0.44486058       3.01115003       2.16480999       0.03463569       1.01369031       0.00267479
Cl       0.28683600       7.27966005       4.37973002      -0.20510445       0.79167389      -0.11180818
Cl      11.08340005      10.10280000       7.27243995       0.41065872      -0.09377497      -0.53699180
Cl       8.32749004       0.30996062       9.17376000      -0.45936368      -0.60942995       0.08192011
Cl       9.07144997       6.20375996       1.88946997       0.04613796       0.18413352      -0.90232623
Cl       9.13647002       7.97835003      10.21679999       0.62209134      -0.14598542      -0.20401405
Cl       4.61121001       6.82857001      11.20440004       1.40296117       0.07443452       2.09444028
Cl       0.26823599       0.33486062       3.82007005      -0.77230165      -1.24319556       0.15788980
Cl       4.16844996       1.34057997       1.81872004      -0.70432100       0.07071952      -0.86748259
K        9.48939997       3.21348003       8.07093004       0.18239999      -0.65394292      -0.27757832
K       10.69680005       4.46904998      11.28040004       0.44518888      -0.09541729       0.09558954
K        6.95892004       5.95692000       9.68289996      -0.12921329       0.42653130       0.04755726
K        7.99190997       5.62542003       4.27349002      -0.27753345      -0.11971869       0.22927403
K       10.10610001       7.25671997       7.13794997       0.13954395       0.29957836      -0.23203897
K        1.71672004       3.61211000       8.00760996      -0.03696251      -0.31949497       0.47908002
K        3.38713997       4.27086005       1.72087998      -0.54207486       0.48071040       0.85489782
K        8.72196995       1.17822000       0.59767097       0.32564584       0.06593413      -0.22820758
K        5.85880000       7.01240005       6.60244001      -0.60358490      -1.15908709       0.43351370
K        5.99600001       2.62799996       6.94031003      -0.20057943       0.00396643      -0.02746146
K        2.88093003       6.65981001       9.41635997      -0.98479128       0.19478614      -1.26185788
K        2.64995995       1.07454001       4.86469997       0.19343103       0.20801805      -0.08887005
K        4.74525004       2.10615999      10.17019995       1.58066576      -0.99072967      -0.09400705
K        1.47646000       0.55137802       0.94342704      -0.30363257       0.38051095       0.06932730
K        2.66127003       5.93516999       5.26135002       0.04899508      -0.52228465       0.20183380
K        9.76533996       2.53010004       4.12558001      -0.14176386      -0.10093148       0.14040468
Li       8.77423002      10.50729999       6.84183002      -0.12265800       0.21848012       0.55462182
Li       7.02742999      10.52099996       4.58219005       0.52526600      -0.03172422       0.10350887
Li      10.92350004       9.86619998       5.00130002       0.03028705      -0.24007038      -0.49130003
Li       5.11016998      10.58549999       7.75529995       0.06362508      -0.33224667       0.10000848
Li      11.06350004       5.85794995       2.60755005       0.60357273      -0.20669767       0.42195119
Li       0.24686052       8.33915001      10.91789997      -0.67976763      -0.59935646      -0.21264782
Li      10.36569996      10.61949995       9.23602005      -0.09761774       0.67192068       0.82505001
Li       4.19982994       9.11061005       0.49426059       0.09453541      -0.29706291      -0.63354972
Li       8.54747995       8.47810996       2.07995999      -0.16506387       0.07832543      -0.07685572
Li       7.71153998       9.56154995      10.00399996      -0.90556012       0.50242153      -0.23533875
Li       5.39112995      10.97390001       2.22913002       0.03212284      -0.07317318       0.26922499
Li       5.54186004       6.67117006       2.13263004       0.28261115       0.07500048      -1.25749085
Li       5.60741999       2.39869998       2.85059997       0.70701877       0.32037427       0.97538669
Li       2.12512001      10.63730001       8.23221998      -0.15582129      -0.19174958       0.16710842
Li       0.23866103       8.62923004       2.13650005       0.27735601       0.24775596       0.89354991
Li       3.99899005       9.03994995       4.71913000       0.00215457       0.84548718      -0.87477498
64
Lattice="12.71476098 0.0 0.0 0.0 12.71476098 0.0 0.0 0.0 12.71476098" Properties=species:S:1:pos:R:3:forces:R:3 energy=-547.56975463 stress="0.0061681971960528565 -0.00019711688205904947 0.0012372690028457569 -0.00019711688205904947 0.003441800884128842 0.0004442353425707908 0.0012372690028457569 0.0004442353425707908 0.0038539096750250124" free_energy=-547.56975463 pbc="T T T" config_type=wetmd 
Cl       5.18431003       2.26877999       2.21564996       0.03764520       0.44867515      -0.06115673
Cl       7.42328001       8.51383002       8.12425000       0.17265316       0.24126832       0.14632890
Cl       0.98632902       6.14062001      10.09819998      -0.00451712       0.13623641      -0.27560773
Cl       5.16125995       5.75857997       4.75100000      -0.10599853       0.44822951       0.16666489
Cl       1.13135002       2.97053994      11.95129998      -0.46857581      -0.05559834       0.34569958
Cl       8.69111994       3.75011004       0.14499494       0.06571801       0.47167812       0.13195823
Cl       3.81767005       0.07218386      10.66310003      -0.14990186       0.30226576      -0.30106621
Cl       1.70751001      11.95720001       7.42187999      -0.08374423      -0.40003650      -0.03252089
Cl      10.68579995       4.75386006       6.54413999       0.24201422      -0.22243779       0.36958759
Cl       9.07937000       6.26023005       3.65622005      -0.30472200       0.41400152       0.08546660
Cl       6.60991001       8.13172004       0.84509206      -0.09479640       0.68940687       0.50276487
Cl       3.40913003       8.89194997       7.01648001       0.21348591      -0.32229779      -0.49411752
Cl      11.02250004       0.77907905       8.13635000      -0.26447200       0.12250087       0.00699402
Cl       3.85692001       5.51757002      12.24830001       0.49667895       0.14870699       0.22507059
Cl       7.06235003       4.34523002       8.98511001      -0.25703855       0.05287641       0.02975389
Cl       9.88165006      11.37800005       1.53383006      -0.09716322      -0.83161538       0.50010984
Cl       3.06480006       8.52562995       3.07559998       0.48376025       0.14736106       0.09714787
Cl      12.08070001      11.99279994      11.92769998       0.40965519      -0.13345894       0.26262819
Cl       0.89622294       6.24935003       4.98639003       0.35894808      -0.27664597       0.36000662
Cl       3.45252004       2.66338997       7.82630996      -0.21710611       0.23423625      -0.09679249
Cl       6.18637001      12.37650002       6.47398998      -0.24672427       0.44606273       0.21759614
Cl       3.16424996       9.38015000      11.19300003       0.32625983      -0.02548698       0.27285607
Cl       7.24490005      10.11139994       4.61573999       0.15255584      -0.91853424      -0.03701963
Cl      11.87820002       4.49378001       2.55852002       0.28119663       0.02966911      -0.13212647
Cl      12.54459997       9.63001998       4.87824997      -0.19374756      -0.26935215       0.07036597
Cl      11.22019995       9.93217000       8.95690994      -0.36375032      -0.70196865      -0.18351858
Cl       5.04415001      11.87450002       0.92890598      -0.04762666      -1.04452598       0.29825867
Cl       0.39170796       8.97239995       1.08241002      -0.66084710      -0.26223850       0.41659313
Cl       7.45193005      11.77119997      11.09350003       0.50074035      -0.67887645      -0.24362636
Cl       9.49326001       8.32460004      11.56940005       0.12979002      -0.41077690       0.75071111
Cl       1.61615000       1.43996995       3.53548004      -0.94323438       0.13865791      -0.56930688
Cl       9.38389997       1.79284996       3.23462998       0.10103215       0.46389328       0.52979384
K        7.62217002       1.67307996       8.14946006       0.16065783      -0.43236267      -0.07079726
K       11.57879995       5.69554005      12.08970002      -0.03988872      -0.30380676       0.34780939
K        6.16147997       1.63410998      11.88509994      -0.16065468       0.32992916       0.42857952
K        6.94514002       6.17914001      11.18640005       0.03294944       0.15856213       0.08729813
K        7.92905998       5.87994999       6.70948998      -0.08390936       0.07952058      -0.47582401
K        0.51351398       2.95943004       8.74344995       0.31703864      -0.17329721       0.45403919
K        2.74153998       4.01322002       2.02742001      -0.41598892      -0.16867439      -0.04676961
K       11.23870005       1.75927002       1.01187005       0.14901410      -0.13025983      -0.45281050
K        6.00953006       5.40310004       1.75077999       0.13109778      -0.62419387       0.32224544
K        7.00271996       0.00999113       3.38946996      -0.12077476       0.34349652      -0.33167252
K        4.13769995       5.45129000       7.68151998       0.05940110      -0.07584799       0.27096129
K       11.72680002       1.81328004       5.25969000      -0.02220658       0.08670528      -0.07840648
K        3.40051006       0.85742003       5.49471994       0.78311465      -0.01932739       0.64288224
K        2.09077995       0.39853605       0.74464405       0.26650665      -0.09957423      -0.43957870
K       12.45249996       7.04982002       7.58739998       0.00969719       0.33581814       0.32714231
K        9.89264006       9.99217998       6.25387000      -0.46500211       0.26410407       0.27208304
Li       8.82635999       9.42579002       9.87461994      -0.12179216       0.52436974      -0.89582490
Li       5.60766999      10.21340004       6.59969001       0.23410225      -0.26532340       0.08659271
Li       1.72235004      10.11900006       5.92674997       0.39882897       0.46261607       0.66179427
Li       2.50286001      11.25470006       9.69349995      -0.04070690      -0.00166477      -0.24239938
Li      11.33749998       5.59979002       4.60001997       0.01076072      -0.07977395      -0.52678882
Li       8.20787994      10.27190002       0.18100301      -0.01383683       0.07476659       0.05448438
Li       3.53172003       7.49492006       5.08711001       0.19554544      -0.15213797      -0.18048237
Li      11.51200003      11.90380005       9.89247006      -0.10248491       0.50599953      -0.74699662
Li      11.66980000      10.21830005       2.98249004      -0.22404393       0.21846428      -1.36569351
Li       5.22046000      11.21640002      11.36009996      -0.22446798      -0.09820613       0.22586784
Li       7.27012003       8.30370003       3.37395998       0.12334952      -0.40099456      -0.42647697
Li       2.48217004       7.16780995      11.60840004      -0.07845312       0.07533762      -0.29850751
Li       9.67262002       4.21989999       2.55670995      -0.54945933      -0.38227566      -0.19352911
Li      11.33270003       9.46771999      12.34670006       0.37286263       0.76415125       0.12454568
Li       0.98457197       7.81812000       3.52844001      -0.19500970       0.56322355      -0.76339372
Li       4.18139003       9.39747997       1.05767002       0.14558543       0.23878054      -0.12987054
64
Lattice="12.1997317 0.0 0.0 0.0 12.1997317 0.0 0.0 0.0 12.1997317" Properties=species:S:1:pos:R:3:forces:R:3 energy=-548.96832128 stress="-0.004161487911782666 -0.0003471402233558294 0.0005116343100741869 -0.0003471402233558294 -0.004725053762312395 -0.0015793691576503623 0.0005116343100741869 -0.0015793691576503623 -0.0031173528281208582" free_energy=-548.96832128 pbc="T T T" config_type=wetmd 
Cl       3.62442000       5.95181003       0.94119905       0.68379932      -0.24539688      -0.84847851
Cl       1.85741001       7.06472006       7.62323000      -0.40186361       0.32907637       0.27682887
Cl       3.47432999      10.29419998      10.23709998      -0.47964986      -0.06729983      -0.14416875
Cl       0.71012601       9.31160003       1.47384995       0.34402048      -0.61250951      -0.29720407
Cl       2.24949999       0.16526830       0.60093499      -0.03761686       0.41134110      -0.00869246
Cl       9.05075001       0.94514005       0.51841296      -0.17653022      -0.49422787      -0.09737581
Cl       4.22275999       1.57004996       9.44738000       0.00918864       0.08325889      -0.30916892
Cl       2.94679005       1.86239006       5.40192005       0.75700073      -0.32991852      -0.23891211
Cl      11.87309999       1.80444999       2.70581997       0.81699735      -0.39106561       0.35498120
Cl       8.25647001       4.96925998      11.66670005      -0.24789939      -0.20091732      -0.10135500
Cl       6.50899996       1.50662002       6.28203005       0.13096032       0.43514707      -0.06973335
Cl       6.42465004       7.75538006      10.82159999      -0.58640066      -0.03369053       0.48523054
Cl      10.31980001       1.75022999       7.68571995      -0.32084083       0.37320474       0.56606122
Cl       5.46768002       5.37377003       7.82702005       0.12866522      -0.10787176       0.31429281
Cl       9.66215005       6.20873003       8.21531006       0.15842853       0.59227645       0.51317820
Cl       7.33397997       8.68826999       5.59838002      -0.84218968      -0.17926786       1.93993645
Cl       0.04400468       5.62301006       2.07443006      -0.72983799      -0.04906524       0.04842643
Cl      11.36949994       9.85568001       8.82746003       0.45068534      -0.20132541      -0.53438597
Cl       0.96967603      10.88240004       5.62356002      -0.30858390      -0.85510949       0.12412922
Cl      11.91160868       6.83279999      10.88140002       0.41771816      -0.34140751       0.64107752
Cl       4.03143001      10.26609997       6.54163997      -0.18862426       0.83005966       0.06200735
Cl       4.49976002       9.59526002       1.72353003      -0.04659159      -0.17080369      -0.06667427
Cl      11.95710002       4.30186000       6.01888001       0.27495351       0.29142395      -0.70018985
Cl       9.28093003       9.20347003       2.09998996       0.40220081       0.24937410      -1.26315131
Cl       5.51329994       1.74605000       2.47458004      -0.15824224      -0.10035889      -0.48154957
Cl       9.36798000      11.23800001       5.42454995       0.55353218       0.13919878       0.12815542
Cl       2.60768997       5.98406002       4.14081000      -0.18176451      -0.15635771       0.14600874
Cl      11.13519995       8.17269006       4.78663000       0.13512237      -1.19414740      -0.69510845
Cl       7.85036997      11.40550001       9.30349002      -0.30390462      -0.09127316       0.11522362
Cl       6.69061004       7.04207004       2.97114999       0.87812966      -1.19760250       0.00644201
Cl       0.68125095       2.05579997      10.48220004       0.14750671       0.24839583      -0.00656140
Cl       9.44553003       3.87414997       3.35557000      -0.73262236       0.83703606      -0.05164208
K       11.67199998       4.32362005       9.02855003      -0.28301441      -0.33926666      -0.05170735
K       11.59270001      11.66429999      11.29420003      -0.34009154       0.09303535       0.21419687
K        2.83799004       7.17109001      10.47670003       0.00919937       0.23651110      -0.00658834
K        9.26388005       8.37771997      10.52570001       0.13377882      -0.14949027       0.01231957
K       11.49210005      11.17830001       3.13172005      -0.48365179      -0.20157070      -0.04861031
K       10.69750005       3.31775998       0.66434005      -0.19844895       0.22685691      -0.73474922
K        2.98177998       3.06151999       0.51883897       0.00103887      -0.28069994       0.19020293
K        6.58034997      11.26040006      12.11340005      -0.05846171       0.03179862       0.18649620
K        8.20762997       5.56635999       5.95148003      -0.17254482      -0.00166449      -0.50808896
K        4.49366003       8.03162004       4.71095995       0.21458795       0.01399368       0.07418940
K        2.63837998       4.10460998       7.05257999       0.23918004       0.57645484       0.14181904
K        3.23190998      11.43379997       3.85630006       0.19797629       0.25315364      -0.56465926
K        8.12331006       1.21522003       3.85912002       0.43424645      -0.09430282      -0.51340521
K        5.73811001       9.12616997       8.38639995       0.61820649      -0.10289171      -0.03539449
K        0.15496831       1.26457002       5.72652002      -0.65294597       0.78191360       0.05418490
K        7.00345996       2.39262004       9.38009006       0.63238602      -0.08184837      -0.05288885
Li       1.81465995      10.01309998       7.53170005       0.18861310      -0.37997453       0.12876278
Li       9.03734006       0.00296832       7.54004003      -0.05675779      -0.33070724      -0.25002100
Li       0.43568804       6.32409997       4.81925001       0.04191408      -0.01076972       0.37502413
Li       4.88448002       0.45166298       7.23170999      -0.71256527      -0.29853059       0.24796560
Li       2.59132000      10.28170001       0.22745302       0.32064237      -0.53534028       0.31526111
Li       5.39473002       7.37332996       1.37987005      -0.54546341       0.49217772      -0.91906794
Li       8.24079006       8.63503000       3.81766997       0.19636556      -0.11423807      -0.43447225
Li      11.07220004       9.70504004       6.22566997      -0.22818221       0.82587166       0.67785788
Li       2.42263004       0.55120901      10.31010001       0.20953774      -0.20864775       0.39075234
Li      11.88390004       7.35699001       8.82879004      -0.16742496       0.50927366      -0.90869516
Li      11.03250004       7.72304003       2.40890998       0.29378266       0.28110882      -0.07084601
Li       6.41622002       5.69979004       9.86279001       0.52459188       0.29182573       0.18830841
Li       8.08243998       5.28120005       1.74297006      -0.10545085      -0.05226023       0.28236610
Li       1.91124998       6.71874994       1.92076004      -0.14541439       0.59772698       0.59726878
Li      11.88849995       3.84932998       3.51853999      -0.30920619       0.15315681       0.55097332
Li       5.07207005       2.32060002       4.46926996      -0.34217022       0.01716793       0.66361727
64
Lattice="12.61323984 0.0 0.0 0.0 12.61323984 0.0 0.0 0.0 12.61323984" Properties=species:S:1:pos:R:3:forces:R:3 energy=-543.90359057 stress="-0.0014520491747272912 0.001056334937127551 -0.0019069330249460597 0.001056334937127551 -0.002147253689348055 0.001259423414250335 -0.0019069330249460597 0.001259423414250335 0.0006957700515211513" free_energy=-543.90359057 pbc="T T T" config_type=wetmd 
Cl       8.72107997       5.50712997       9.43679997       0.47106268       0.82281845       0.01840132
Cl       1.69868000      11.53469999       6.31593997       1.40760912       0.06342503      -0.01728901
Cl       2.89816001       5.61828994       8.32585003      -0.36504569      -0.47475517      -0.20580972
Cl       3.65164998      12.41339996      12.18519996       0.11572313      -0.40543403      -0.35805146
Cl       1.68271000       9.07951999      10.06549998       0.14474935      -0.04410223      -0.33015310
Cl       4.52597000       1.96736005       9.01755001      -0.04140195       0.32733056      -0.48117170
Cl      10.12639998       4.10411994       0.09626652      -0.57000599       0.45995315       0.83247944
Cl       3.01729004       3.75293998       4.79633001       0.54318243      -0.46496539       0.28298001
Cl      10.78689998       0.05312558       6.55119001      -0.68699434      -0.01145648      -0.63396917
Cl       8.37824000       2.90612994       7.40352994      -0.18374507      -0.50423325      -0.36936548
Cl       6.50012998       4.71158997       5.28386994       0.76692090       0.50078849       0.28644916
Cl       0.37695500       3.25994002       8.32589997       0.13184171      -0.11807866      -0.30184491
Cl      11.57739997       0.09898505      11.73890002       0.22423855       0.02844201      -0.06728383
Cl       0.14896501       5.39373997      11.42200006      -0.61359320       0.12652020      -0.29498909
Cl       7.22734998      10.45740002       1.48296005      -0.23705958      -0.33021396       0.43201104
Cl      12.00440001       8.10724000       6.40322006      -0.47877440       0.01300684      -0.65531794
Cl      11.34799995       2.83456002       4.51820996       0.56944912       0.06399661       0.00207598
Cl       4.53310998       6.65276002      11.46769997       0.37189516       0.37992004      -0.44573583
Cl       1.51207999       2.10124000       1.66048005       1.13615207       0.42619948      -0.14598081
Cl       8.10352994       1.96499999       3.10780000       0.29470785      -0.33213959       0.26862827
Cl       4.06846004      11.51360006       3.63639995      -0.23521235      -0.04295298      -0.20638613
Cl      10.08509994       9.24150994       9.52218000      -0.65357229      -0.68249116      -0.64389248
Cl       5.30397002       3.30881002       0.59937397      -0.20428873       0.35610239       0.37413052
Cl       2.56025005       9.45983995       1.15473000       0.32550411      -1.05261775       0.15079252
Cl       6.35198003      12.01870002       6.53387998       0.66737799      -0.00496429       0.51475589
Cl       7.99729998       8.65112000       5.81680998       0.38199465      -0.56138829       0.16936703
Cl       5.27186000       8.67369001       8.38502996       0.20842435       0.07928888       0.28006552
Cl       7.99402003       1.30801996      11.94669999      -0.05637958       0.00723324      -0.03917770
Cl       3.28322002       6.64943996       2.76022994       0.36761350      -0.30167574       0.88076563
Cl       8.36716003       7.92847003       0.05109762       0.67381993      -0.64415093      -0.65016149
Cl      10.93599995       7.24110005       2.45752997       0.26967309      -0.09236417       0.25737989
Cl      11.08249995      11.21749996       2.80985005       0.31319589      -0.24825435       0.06041815
K        0.70984299       5.03997996       3.89516006      -0.34052669       0.30602262      -0.22661109
K        5.92494997       5.58931998       8.77526001      -0.19760803      -0.28063342      -0.15996773
K        2.38963000       5.41907000       0.22265395       0.86247636      -0.20983229       0.82748096
K        9.28894997       4.68475001       4.15098999      -0.39869002       0.56820763      -0.10127909
K        0.94554194       0.54221001       4.13745005      -0.06157325       0.06246853       0.37294532
K        1.12673996      11.71299999       1.07974996      -0.22499598       0.60125194      -0.39802395
K       10.06109997       2.81063005       9.99664998       0.28949625      -0.30044655       0.10639026
K       10.42869998      10.10119999      12.31060003      -0.01750244       0.30020444       0.36920004
K        8.65051003      11.13930002       4.57523997      -0.25184346       0.41798318      -0.19067259
K        5.90655999       7.42452002       1.48078994      -0.07673749       0.12422288      -0.02099312
K       12.40220003      10.79360000       8.03633997      -0.72066790      -0.44247953       0.77134630
K        2.72647994      12.16099995       9.40943000      -0.05789872       0.00095112      -0.13097448
K        5.02413004       9.73844005      11.55439998      -0.27813826       0.13956298       0.17202317
K       12.33169997       6.43357003       8.85465002      -0.17327538       0.47818924      -0.43245381
K       11.44060005       1.87396002       1.70626006      -1.36107115      -0.10614225      -0.67833895
K        5.80646006       1.95948005       5.07535001      -0.33269745      -0.29994724      -0.05837131
Li       2.44165003       3.19639994       6.88895996      -0.17016006       0.25771259       0.76027245
Li       7.51190996       3.00212994       1.11675002       0.17489442      -0.28932308      -0.78303609
Li       9.52754000       1.60483006       5.11503996       0.28186609      -0.05449560       0.75879135
Li       6.74837001       1.98610004       8.65051003      -0.04207712      -0.28238286       0.03832237
Li       8.65700004       7.48947997      10.48430003       0.10592286      -0.04126320      -0.10343679
Li       7.34620996       9.45612005       7.77325995      -0.55469291       0.44702788       0.00193326
Li       3.69299997       1.69339997       0.52785803       0.03182369       0.44129092       0.36098219
Li       9.77418005       8.06838000       7.09344997       0.34997920       0.09838515       0.16725258
Li      11.31880005       9.04524994       3.83637996       0.07491554       0.01714650       0.01622178
Li       4.49914997      11.34319998       5.73244998      -0.79034055      -0.25590100       0.05703307
Li       1.44082994       4.47373996       9.83889997       0.38442116      -0.36466388      -0.18599415
Li       7.77593005      12.34759996       0.84342603      -0.03352671       0.81922542      -0.15657229
Li      10.49900000       6.68466003       0.20047597      -0.22057443      -0.91883129       0.25299395
Li       2.76437995       8.81338000       3.30344006       0.28166858       0.54676676      -0.41808854
Li       4.90372998       5.36112995       4.20833003      -1.56773272       0.07721883      -0.44843284
Li       3.36371999       7.44929999       9.39711002      -0.02419585       0.80371666       0.49593726
64
Lattice="12.5345139 0.0 0.0 0.0 12.5345139 0.0 0.0 0.0 12.5345139" Properties=species:S:1:pos:R:3:forces:R:3 energy=-546.39394525 stress="0.0013908399055825244 0.00025645226916046134 -0.002868259560363197 0.00025645226916046134 0.0046125439817677315 0.001120626026301332 -0.002868259560363197 0.001120626026301332 0.0014351921817782152" free_energy=-546.39394525 pbc="T T T" config_type=wetmd 
Cl      12.38520001       6.35671001       6.70610996       0.20496928      -0.23364687       0.31710602
Cl       1.11350003      11.47360004       1.64701006      -0.44145229      -0.19719890       0.36789096
Cl       5.91933996       6.55668000      12.24910001      -0.55849249       0.17484202       0.46614802
Cl       4.94884995       2.53837995      11.54060002      -0.71349793       1.24389776      -0.19684669
Cl       3.29454005       9.12610005      11.50270004       0.25077630      -0.08729448      -0.03116456
Cl       9.73129997       3.04467003      11.98690004       0.33170569       0.12004165      -0.73240766
Cl       8.14209997       6.15376006       5.82013003      -0.40930338      -0.48797308       0.12108062
Cl       4.48319001       6.02274995       4.62925006      -0.79371545      -0.19821313       0.07602479
Cl       0.14706695       2.86701999       6.28973998      -0.19171325      -0.02308587       0.07712294
Cl       2.95206002       0.87169597       8.24336004       0.22544894       0.30189038      -0.27482695
Cl       5.93967006       2.92396003       6.38877994       0.27675816       0.22375341       0.06060063
Cl       0.31455902      11.27720000       5.68436997       0.31219372       0.06584342       0.61685518
Cl       9.70019006       9.17893002       9.15916998       0.20106948       0.06964197      -0.33568430
Cl       3.13037000       5.25195995       9.45958004       0.13841972      -0.43171749      -0.02421328
Cl       8.77004001       9.96468999       1.83223006      -0.81886403      -0.20222437       0.36760315
Cl       3.77098005      10.58740000       3.82708003      -0.31715197      -0.11283875       0.13744548
Cl       9.68265002       3.10960996       8.18599998       0.08562818      -0.18992780       0.11790524
Cl       8.23315996      10.37660006       5.49591004      -0.19944177       0.45898022       0.19122165
Cl       1.23998005       2.06466996      10.69440000      -0.23965701       1.04820543       0.04818739
Cl       2.88384996       2.29327994       3.54721003      -0.20218524      -0.19127422       0.20138408
Cl       5.83159999       0.48929804       1.69249004      -1.02909744      -0.01180080      -0.15051937
Cl      11.67649998       8.43944998       3.33575002       0.41903326       0.00376319      -0.04297811
Cl       7.94743997       5.27076999       2.40173006      -0.79825133      -0.06917478       0.00281912
Cl       2.10070995       6.98121998       1.88775006       0.61112671      -0.82179210      -0.03802418
Cl       6.22521005      11.52580002       9.73777004      -0.15012114      -0.61930756      -0.41601631
Cl       3.72491998       9.38149002       7.35163003      -0.34069619       0.65312371       0.57711832
Cl       7.05237002       5.48838996       9.22603999      -0.24321597      -0.34281053      -0.47477571
Cl       9.57194995      11.68739999      11.55630000      -0.00872813      -0.00226613      -0.20114223
Cl      11.05669998       4.62497002       2.04499002       0.77574015       0.01737152       0.58319937
Cl      11.82320004       6.53204003      11.75070004       0.27782122       0.00491481      -0.34944194
Cl       0.66566103      11.21620004      10.21680005      -0.04520149      -0.86680080       0.03747673
Cl       8.97253997       1.18755996       2.35759002       0.20817019       0.03533280       0.57652648
K       10.08669995       8.14716003       6.06841995       0.30401616       0.20791027      -0.04204578
K        7.12664002       0.96891304      11.67409999       1.41886042      -0.11216686       0.03978754
K        4.60102998       4.18825001       2.01848003       0.67493914       0.10927345      -0.06239422
K        2.10801995       7.99677996       5.40442000      -0.10362624       0.23380035      -0.52783006
K       10.50470004      11.47100000       3.45742004       0.47505872      -0.22709062       0.20206440
K        3.08770001       0.78153697       0.51987097       0.08766804      -0.13426648       0.03407025
K       11.89850000       0.67192402      12.29550002      -0.52325704       0.00561393       0.54780106
K        8.94447006       6.32086005      11.26500003      -0.18453169      -0.22009467       0.17854503
K        4.37571006       0.43373304       5.71904996       0.53713187      -0.18808810      -0.55922543
K        6.12676999       8.28853004       3.82161999       0.54861149       0.16214986       0.04705538
K       12.19060006       0.45816105       8.34087004      -0.35411313       0.74794818      -0.38928728
K        0.89121798       7.89177006       9.27914998       0.19616023       0.01324832       0.34542662
K        6.71173996       9.76215005      12.46020003      -0.26401324       0.04363256      -0.62931603
K        3.04820000       3.79071001       6.53480001      -0.16299345       0.04943475       0.15798891
K        9.46739005       3.41139004       5.20858000      -0.06903967       0.14417353      -0.78472032
K        0.89140900       4.67552999       3.88652997      -0.29793055       0.08762995      -0.27814503
Li       2.23661003      11.51930000       7.42840004      -0.15685235      -0.95523460      -0.00571072
Li       6.07519999       5.26657995       5.91878004       0.48533216      -0.03142015       0.08834451
Li      11.47189998       4.32808003       7.67634000       0.35380234       0.18199315      -0.54478301
Li       8.29048004      10.72539999       7.77433997      -0.18460284      -0.35551921       0.48634482
Li       3.56746003       2.69935996       9.80118001      -0.63604633       0.04061876       0.04614683
Li       7.49229999       3.70819004       7.89149004       0.09026290       0.27830185       0.37302528
Li       9.03818999       3.42134997       1.69343000       0.26776594       0.17589167      -0.28080521
Li       4.43913996       9.98128995       9.51783996       0.00723936       0.03078864       0.08555998
Li       7.32171002      11.90829999       2.59218999       1.13368795      -0.27343868       0.21625768
Li       1.61910998       9.04820005       1.81425996      -0.37642975       0.99722962      -0.00656978
Li       5.30056002       5.12284994      10.58490000      -0.10778917      -0.06952976      -0.14940701
Li      11.13890006      10.32180005      10.78689995      -0.35209340      -0.11208842      -0.27526054
Li      11.05619997       6.99202999       1.62532999       0.13866127      -0.43078837       0.13519343
Li       1.53244999      11.94930001       3.94788002       0.54318234      -0.17216524      -0.61902870
Li      12.10230005       3.87553006      10.93670005      -0.25098621       0.05294084       0.76881727
Li       3.67498999       7.09909004       0.10732402      -0.05614977       0.38705689      -0.27357473
64
Lattice="12.69501261 0.0 0.0 0.0 12.69501261 0.0 0.0 0.0 12.69501261" Properties=species:S:1:pos:R:3:forces:R:3 energy=-546.69216883 stress="-0.0004904865854350132 0.000396600600552216 0.0008865834587517158 0.000396600600552216 0.0044720969067831755 0.0006113728332341423 0.0008865834587517158 0.0006113728332341423 0.003338005211516316" free_energy=-546.69216883 pbc="T T T" config_type=wetmd 
Cl       2.50997995       6.38977003       5.68294004      -0.06256707       0.27089200       0.46605936
Cl       1.57921996      10.36660004       3.90988006       0.40634539       0.22493025       0.44888436
Cl       9.13244004       5.64558002       8.89982006      -0.78091402      -0.05907099      -0.19225804
Cl       1.71178001       4.83683002       2.54353997       0.35466082      -0.64176354      -0.44518412
Cl       4.55093998      11.36999999       0.36293200      -0.06939243       0.55292368       0.69841333
Cl       7.74757996       4.82605995       0.40192105      -0.65965493       0.36661715      -0.13981418
Cl       8.03349995       3.70393001       4.99469999       0.07845751      -0.04089966       0.14847953
Cl       1.82088996       4.04931002       9.11663995      -0.15362098       0.42822770       0.02365879
Cl      11.45159998       7.75319001       4.80603001      -0.15234965       0.00526362       0.47545672
Cl       2.62110003      11.11820000       7.61613999      -0.79886392       0.30029023      -0.35283482
Cl      11.47180003       3.22847005       6.99783994       0.51193757      -0.14810478      -0.17869042
Cl      11.94649994      12.20930003       6.27278003       0.33870608      -0.27832303      -0.13539090
Cl       5.30746003       9.60563000       7.96691004       1.05238029      -0.91949416       0.63896280
Cl       7.11211003       7.39632001       5.02128995       0.04048573       0.34138466       0.11657182
Cl      11.61460001       0.27663004       2.23343001       0.23474058       0.38253970      -0.09078286
Cl       6.22018003       8.70602002      11.72600001       0.06558649      -0.91395839      -0.72145874
Cl       2.42552003       1.76906994      12.13390003       0.04295726       0.25578035       0.01457211
Cl       9.23611995       8.57200995       1.65761001      -0.58472564       0.45408910       0.37691377
Cl       5.23695003       5.17418995       8.47389997      -0.47094421       0.51114899       0.43920981
Cl       3.09916995       1.32024005       5.08769997      -0.70765694      -0.20049916       0.08612191
Cl       8.86571998       0.38141099      12.50200005      -0.27805501       0.13374111      -0.07656879
Cl      11.71320001       6.02936002      12.28300004       0.82652833       0.12129400      -0.38181157
Cl       5.05404994       7.52040004       2.32099996      -0.12807757       0.20422807      -0.54408447
Cl       5.05404003       2.32681999       2.47380005      -0.04770251       0.75991988      -0.38807469
Cl       8.47280998       1.14933002       8.13076000       0.11446050       0.06994375      -0.06069156
Cl      12.63772890       9.38670997       0.92173002       0.51431104      -0.13042205      -0.44044139
Cl       5.32677004       1.13924002       9.17430997      -0.69979082       0.46631625       0.91649550
Cl       9.52449999       9.52508002       9.24345005       0.45524895      -0.07798218      -0.63114573
Cl       0.43707303       8.46077003       9.67723000       0.00316462       0.19758259       0.27921792
Cl      10.59399996       3.99860004       1.99713000       0.80000106      -0.50228856       0.35096221
Cl      11.73271961      12.60680005      10.57820000       0.44549517       0.16748230      -0.22675262
Cl       6.44028006      11.17330004       4.50777999       0.00223744      -0.19535169      -0.77184600
K        9.34948997       6.20729002       3.34287002      -0.15931914      -0.43156180       0.16965028
K        0.80898739       1.42758997       8.30635995       0.01808565      -0.32752561       0.00324441
K        8.10458999       3.17854996      10.50859997      -0.03892553      -0.28702271       0.02676627
K        3.75022999      11.49500004      10.25079994      -0.03459909       0.10554757      -0.19157940
K        0.58584106       8.93026003       6.88911998       0.12712421       0.30740106      -0.69028570
K        1.67901000      12.03530003       1.30250004      -0.10153161      -0.10372699      -0.02924553
K        8.42850997       2.05170002       2.31008999      -0.15596844       0.17148309       0.03923273
K        9.40382996       7.53374999      11.55480002      -0.39746470      -0.00486923       0.01898433
K        1.15149998       7.56614995       3.19479006      -0.06811529       0.29534211      -0.20790093
K        4.26382996       8.94708003       5.19599998       0.25546279       0.27437966       0.08985610
K       11.81919994       5.83427995       8.40692997       0.68623463      -0.00014221       0.09519455
K       11.13420004      10.49760000       3.43094002      -0.15661202      -0.60191848       0.11941758
K        7.38567003      11.15649997      10.17069999      -0.06691029       0.69261197       0.14922084
K        5.75869994       0.75211805       6.42526999       0.23896170       0.04271785      -0.39933769
K        4.62222997       5.02119994       3.94705994       0.34225338      -0.43646364       0.41022085
K       12.49952655       2.24073003       4.13328994       0.05147080       0.40344722       0.34009055
Li       3.79715000       3.21552000       9.72125999       0.60113188      -0.38003137      -0.12557632
Li       2.84561996       5.57695002       7.81335003       0.60797243      -0.18956210      -0.14157206
Li      11.88219996      10.68350005       9.57863000      -0.32718823      -0.66659788       0.15314337
Li       7.97817001       8.16655994       6.97578997       0.05142559       0.08621738       0.13144945
Li       9.39422999       3.78886003       6.96986000      -0.94046336      -0.03007806      -0.16138477
Li      10.20109998       0.06298745       7.43230999      -0.17111897       0.21208158       0.17264551
Li       7.46689996       8.95529002       3.11011001      -0.11841083       0.07629267       0.28895567
Li       5.01306003       9.29150994       0.74497901       0.02613079      -0.24906237       0.31442324
Li       5.19524996       0.23848736       2.26242999       0.03845646      -0.86719843      -0.02590443
Li      12.49707362       4.98598994       1.38419994      -0.56367083      -0.20875442      -0.19610426
Li       0.36204196       7.88199006      11.87280006      -0.44881360       0.08422369       0.31752904
Li       2.69210006       3.37010006       1.01458998       0.22571056      -0.47492384       0.14883398
Li       5.93670001       6.17450997       0.53233996       0.55347976       0.28690730       0.05715816
Li       2.06136994      11.98049998       5.56054006      -0.00202671       0.15826236       0.00369178
Li      11.15469994       0.40666404       0.09968733      -0.57392963      -0.05607710      -0.52828191
Li       5.74250999       7.58705000       9.25293005      -0.19222147       0.01216359      -0.05468473
64
Lattice="12.29212178 0.0 0.0 0.0 12.29212178 0.0 0.0 0.0 12.29212178" Properties=species:S:1:pos:R:3:forces:R:3 energy=-547.68762902 stress="-0.006199147173325176 -0.00036380888500854103 0.000687925410776285 -0.00036380888500854103 -0.006542748336176446 0.001296985839777397 0.000687925410776285 0.001296985839777397 -0.005676907509397107" free_energy=-547.68762902 pbc="T T T" config_type=wetmd 
Cl       3.65626999       6.22373001       8.31973001      -0.00707392       0.38355453      -0.02563286
Cl      11.74459995      10.93420002       2.42616995      -0.22184709      -0.92350434      -0.54412896
Cl       8.95950004       6.04654006       7.64346000      -0.02915671       0.02930299      -0.20751318
Cl       2.89465996       3.93162003       4.52006996       0.08605512       0.18590624      -0.28246569
Cl       4.95018999       7.09959999       2.02614006      -0.20480117      -0.07534580       0.04791433
Cl       8.32780999       4.69505004      12.21869995      -0.06187379       0.15830896       0.41149520
Cl       5.89334999       2.86557004       2.33152996      -0.42203081       0.13902643      -0.34817066
Cl       1.68863994       6.86062000      11.39050006      -0.47723047       0.15563014       0.42252851
Cl       0.83829099       7.24682998       5.80949006      -0.00443521      -0.59724401       0.43894312
Cl       0.94523602       1.16933996       8.55185001      -0.33249573       0.28953566      -0.13215893
Cl      11.76079998       4.60416000       9.19888997       0.12590775       0.99530105      -0.60437291
Cl      11.06380004      10.30850005       6.15348005       0.40522266      -0.17779944      -0.56885208
Cl       3.80814997      11.00000000       3.87558000      -0.62915130      -0.44157350      -0.45931392
Cl       7.65216995       5.85742995       4.17932005       0.13890986       0.02352340      -0.07768786
Cl       9.97427996      10.70599998      11.01370006       0.13590141      -0.51173306       0.20124719
Cl       6.93953997       8.88943998       9.00799996       0.50067134       0.45459176       0.86033273
Cl      11.00189999       2.57466001      11.48889997      -0.22724546      -0.08399755       0.09468081
Cl      10.34370002       7.53148996       1.62809005      -0.35549640       0.55343610      -0.24776271
Cl       5.92587002       8.45279997       5.84719000       0.55417875       0.38186297      -0.32297851
Cl       5.41034999       3.19242001       7.41978001      -0.20587071      -0.01299116      -0.32272480
Cl       7.13490997       0.57219102      11.51450003       0.04448285       0.36486992      -0.86626591
Cl       0.72183297       4.97290005       2.26314003      -0.49957483       0.93687915      -0.18864137
Cl       4.85194004       4.06321002      11.00569998      -0.71469176       0.07021741      -0.05485981
Cl       1.10583996       1.24819994       1.84081002       0.42395367       0.34826021      -0.09865677
Cl       6.46928998      12.25188254       6.30428004       0.65093972      -0.54176569       0.01985342
Cl       2.42083996      10.42890003       0.42501597      -0.09908167      -0.14846836       0.12236228
Cl       9.09613004       2.35625998       7.41207003       0.52328833       0.22723601       0.16802090
Cl       5.99187995      10.41369996       0.78905600       0.39103422      -0.53794052      -0.07334329
Cl       3.97271997      11.19800002       8.48798002       0.41169170       0.50041957      -0.33849190
Cl      11.85330004       3.52501004       5.45257994      -0.45506469       0.13246839      -0.41848408
Cl       1.10446005       9.84250006       8.80340005      -0.90597995      -0.76040728       0.34370511
Cl       9.15431997       0.63358500       3.92187004      -0.27099333       0.14408678      -0.10530112
K       10.01710006       4.83440004       2.73433000      -0.13940569      -0.28920631       0.09915121
K        9.53677004      11.92080001       7.76005999      -0.58214988       0.05632171       0.41807754
K        7.52836997       3.68208000       9.44845999      -0.18966936       0.14426646       0.12604324
K        3.25730004       9.01300002      10.35719996       0.76274363      -0.27397031       0.10476045
K       10.91669998       8.13872999       8.48940001       0.23216483      -0.04661852      -0.13748930
K        0.29806797       0.27910197      11.37949996       0.35459824      -0.64186439       0.04736544
K        9.16649998       1.29712996       1.07505004       0.06404152      -0.01415704      -0.16061982
K        7.58222999       7.79623005       0.44124403      -0.42177388      -0.39889302      -0.01403383
K        3.26186005       8.68692003       6.74855998      -0.62511800       0.33397766      -0.04921112
K        6.81621999      10.88300002       3.69344001      -0.14581777       0.00247640       0.17186914
K       11.35900002       5.68593997      11.90879995       0.13100720      -0.59317603      -0.21387098
K        0.35706696       8.04252005       3.23365996       0.35825079       0.49411346      -0.49981582
K        4.24804998       0.51476296      12.20480002       0.09074651       0.26042147       0.08736348
K        7.52422998       2.90788001       4.66593000      -0.19819342      -0.15990811       1.03986212
K        4.94097003       5.69177996       5.70061996       0.19857713      -0.28791969       0.07686554
K        1.66156003       4.24564994       7.34427000       0.59142183      -0.29477069       0.13625136
Li      11.38880006       2.51949998       9.21050000      -0.08959661      -0.66006319       0.22317223
Li       2.99915996       5.58517002      10.30740003       0.59070189      -0.57675207       0.18040450
Li       1.19996996      11.45619997       7.50424004       0.02881021       0.60451751      -0.26647841
Li       7.90896000       7.26102997       5.95851999      -0.03350674      -0.22816774       0.19109705
Li      10.45049999       4.15051002       7.33778996      -0.21514156       0.49171259      -0.37426135
Li      10.78689996      11.61980000       4.26680997       0.29479384      -0.26006951       0.45084523
Li      10.91499998       9.49724005       0.62963997       0.04111187       0.46852681      -0.00184138
Li       4.35464000       9.36030999       1.85053997      -0.42922879       0.09522635       0.23158219
Li       6.23511006       3.58293003       0.25299498       0.64534112       0.02252095       0.12648657
Li       1.10393997       3.05613001       3.12388000       0.37254801      -0.55718838       0.47712049
Li       0.78903597       5.28247996       4.64918997       0.34559482      -0.24139270      -0.13166934
Li       1.75520006      11.38620003       2.31761994       0.31212094       0.34516388       0.43686189
Li       4.46917996       4.88422997       2.40179000      -0.10089212      -0.25309153       0.08346747
Li       4.87925006       1.02352995       7.30456006      -0.22601108      -0.01867569       0.28972227
Li       7.64510997      10.55130006      10.57570005      -0.34682006       0.39475665       0.22465128
Li       5.88561996      10.17610001       7.50509004       0.06060818       0.42023609      -0.21700561
64
Lattice="13.02613912 0.0 0.0 0.0 13.02613912 0.0 0.0 0.0 13.02613912" Properties=species:S:1:pos:R:3:forces:R:3 energy=-545.03795845 stress="0.0037546437152455045 -3.9555582809812526e-05 -8.85811140653988e-05 -3.9555582809812526e-05 0.005227209804009145 0.0003618269437176898 -8.85811140653988e-05 0.0003618269437176898 0.005310808134094076" free_energy=-545.03795845 pbc="T T T" config_type=wetmd 
Cl       0.65800995       7.09222994       9.67667000       0.17833619      -0.30475911       0.03133621
Cl      12.40699995       0.87847201       7.81822995       0.83300212       0.37657440       0.10363439
Cl      10.08339999       2.14156996       5.64032006       0.08354837       0.23463213      -0.36955977
Cl       4.18090999      10.58320006       2.02288998      -0.14118825      -0.12423336      -0.12812836
Cl      12.81939996       4.60322003       5.46108000       0.07135374       0.16704424       0.48016476
Cl       2.28472006       7.81147004       6.16284996       0.61020031       0.39406380      -0.18350549
Cl       3.66792005       2.93146005       7.24303004      -0.22431269      -0.19916147      -0.24490696
Cl       2.99189001       5.81291002       1.78891994      -0.07404488      -0.04798654      -0.12120167
Cl       9.05920001       8.83565999       4.46818000      -0.30586045       0.17842947      -0.28485610
Cl      12.76210006       2.86379994       1.58387001      -0.40799690      -0.26295942      -0.13386662
Cl       8.03808995       9.29017000       8.30516006      -0.25810098      -0.09049426      -0.27461795
Cl      10.17929999      11.92060001       6.08103004       0.19188385      -0.83523746      -0.05234537
Cl       6.66500996       2.26418005       3.43163006       0.02886441      -0.11565615      -0.50627563
Cl       1.12259996       1.19435002       4.29477004      -0.30756088      -0.67147429       0.43453970
Cl      11.29210000       8.50556004       7.08608004       0.69331555      -0.40177206      -0.12827603
Cl      12.16740002       7.13921002       0.64498602      -0.41034694       0.90081942       0.13760311
Cl       8.75469004       6.24444999      11.22449994       0.56632699      -0.91547766       0.29651727
Cl      11.99836906      11.21350002      11.11600002       0.06297778       0.45392958      -0.46238458
Cl      12.39022307      10.77739999       3.80038000       0.05428008      -0.10313023      -0.35436014
Cl       7.09630999      12.14269998       4.76343998      -0.34255864      -0.21781126      -0.03330095
Cl       8.25773006       0.92017194       8.77290006       0.43066793      -0.16307095       0.53305776
Cl      11.81369996       3.73466000      10.46030000      -0.30295220      -0.10180427      -0.04331016
Cl       7.29085004       5.04148995       5.49967996      -0.50534373       0.41800554       0.83362021
Cl       9.68969002       5.08769002       7.77932999       0.45565245       0.21428545       0.02540550
Cl       2.67696994       2.59304995      11.15009997       0.12472215       0.49601129       0.01845417
Cl       6.07468006       9.55653995      11.30010000       0.23847157       0.03049590      -0.13246547
Cl       2.59191003      12.03649995       7.40487995       0.30152765      -0.23524556      -0.25075585
Cl       9.14958995      10.12640006       0.76690495      -0.16412864       0.79900969       0.12791264
Cl       6.68708002       5.52076994       1.65296000      -0.70312624      -0.29854179      -0.26864512
Cl       9.89362999       5.09401004       3.29726999       0.14647520      -0.43732992      -0.13608554
Cl       4.18913001       6.43315003      10.23380006       0.61812594       0.11007071      -0.00752003
Cl       9.95238999       0.12900202       2.70499997       0.65885677      -0.66214950      -1.02832921
K        0.67813898       0.59084196      12.09729998      -0.14492614       0.53344035      -0.09359039
K        0.17433898      10.37920004       8.40157003      -0.06229164       0.07502802       0.09018896
K        6.73615001      12.37940004       1.61561002      -0.07777264      -0.23037643       0.51022802
K        9.70876003       3.13160004      12.64540005       0.42414610       0.50096010       0.15841602
K        8.64349995       7.43424998       1.39345000       0.82009861      -0.33907899       0.01589147
K       12.09910006      10.29290004       0.68557300       0.16693870      -0.78539749       0.55218861
K        5.86255003       4.50720996       8.46904999       0.45212042       0.12939913      -0.23657104
K        4.53462998       3.77398995       0.14796092       0.04483130       0.40972490       0.26002448
K        2.67194002       3.56185003       4.28699005       0.07360517       0.71491819      -0.24148654
K        2.33387003      10.36670002       4.49522995      -0.19418015       0.59050689       0.15118683
K        4.54343995       9.06189003       8.30654005       0.05884660      -0.04044327       0.14390625
K        6.00888998       0.76329606       7.03822995      -0.48621306       0.12508969      -0.40803685
K        8.92648006      11.59889997      11.12509995      -0.05440288      -0.20958424      -0.50359379
K        0.45872995       4.94476006      12.60670005       0.38511684      -0.10682312       0.11389269
K        4.44585997       7.89864995       3.30500999       0.25755092      -0.59940407      -0.08016635
K        3.33135002       8.69969003      12.18619999       0.01266178      -0.31385216       0.28021202
Li       1.86560000       1.33137003       6.49219999      -0.09043372      -0.37993967       0.51097227
Li      11.56749994       3.38869994       3.93837006       0.34752917       0.14254537      -0.66774886
Li       7.56645995       4.50375999       3.44443006       0.00933758      -0.24276843      -0.44601465
Li      11.02460003       9.64033997       5.17084003       0.04582994       0.22001860       0.48001971
Li       8.10943997      10.80609996       6.27482994       0.45196407      -0.23472319      -0.00029120
Li      10.33320005       0.48279704       7.58854994      -0.86486143       0.08052315       0.08559452
Li       7.94630999       8.00756996      10.57540000      -0.82060048       1.16300638      -0.54441649
Li       9.31350997       7.56531001       6.49699999      -0.24219222      -0.28654275       0.26903779
Li       9.85179003      10.69560000       3.00202004      -0.21174237       0.33411206       0.07972724
Li       0.24306606       7.00474001       6.28313997      -0.55088452      -0.49612069       0.24521586
Li      10.90449994       5.87077005       9.85816997       0.01621738      -0.23832083      -0.09518417
Li      11.40470003       3.08420000       7.44070001       0.21040415       0.38049768       0.18208146
Li       9.59018999       4.39148001       5.42677006      -0.43319075       0.40853690       0.49611187
Li       8.63396000       1.18464998       3.87916000      -0.80620632       0.36876457       1.03141901
Li      11.95879995       0.08390136       4.74159006      -0.05203782      -0.02287709      -0.03021558
Li       2.50752996       5.17903999       9.79528003      -0.88633019      -0.23589589      -0.18654792
64
Lattice="13.21323474 0.0 0.0 0.0 13.21323474 0.0 0.0 0.0 13.21323474" Properties=species:S:1:pos:R:3:forces:R:3 energy=-543.3145489 stress="0.002615133366449882 -0.001309013621078049 0.00023616848797298345 -0.001309013621078049 0.0023188695002582826 0.0011478822098163525 0.00023616848797298345 0.0011478822098163525 0.002051045694549683" free_energy=-543.3145489 pbc="T T T" config_type=wetmd 
Cl      10.65819999       8.00432999       6.40343006       0.25656681      -0.00906557       0.42064706
Cl       8.61612998       5.41504998       8.80618994       0.12067613       0.18702853       0.22548842
Cl       7.51777006      12.46940005       5.93657001       0.04385092      -0.11287577       0.56908142
Cl       8.85613002      10.02020001      11.64220002       0.20158586      -0.10359452       0.09665306
Cl       1.13581996       1.79008002       4.04817995      -0.46032074      -0.05582033      -0.49685393
Cl       0.43246204       6.01628995       8.83169003       0.19716340       0.04149057       0.00981154
Cl       4.14154995       3.56574995       7.76341995       0.06801855       0.05682805       0.16918818
Cl       1.78974004       4.28979994      12.55997175       0.75375354       0.22220566       0.72508549
Cl      11.03439995       6.69152998      12.32400003       0.39939327      -0.10353904       0.37094578
Cl       3.67730995      12.44210005      13.18212669      -0.23240521       0.03785067       0.23115620
Cl       9.88621002      11.01290003       3.98785995       0.34282270       0.25026150      -0.08264628
Cl       9.95892998      11.39179998       8.01184000       0.17578348       0.20369123      -0.01413244
Cl       5.37755002       2.37911995       3.65735004      -0.20417095      -0.21249158      -0.16525780
Cl       1.16641006       9.94785002       3.63533005      -0.21765517       0.40857177      -0.24481106
Cl       9.09995001       7.94619004       2.16806997       0.03241216      -0.22924572       0.07420702
Cl       2.65727003       6.38314999       4.47022005      -0.70556361      -0.08252486      -0.56873699
Cl       6.70355997       5.42113005       5.90444005      -0.07059231       0.87859493      -0.78035707
Cl      10.87630003       3.49782005       2.19124004       0.99781992       1.08203701      -1.02057966
Cl      11.33350001       1.22786996       6.35920999       0.52075378       0.26705439      -0.66580146
Cl       7.10630002       1.11183002       9.81965006      -0.43140213      -0.19513293       0.48830002
Cl       7.63149003       2.52645003       6.69510006      -0.07454697      -0.17026084       0.20747663
Cl       8.40575995       2.06790995      12.73179177      -0.05030819      -0.09104996      -0.78855694
Cl       5.52327007       8.72710001       2.45545994      -0.21056625       0.08810191      -0.70348144
Cl      10.34559997       2.33578001       9.27209996       0.25714640       0.33799511       0.74866703
Cl       4.04493003      12.84490472       5.70123001      -0.00954190       0.43317630       0.31631922
Cl       7.50372994       8.68708003       5.35597995      -0.17269383       0.11348228      -0.03628667
Cl      10.85220001      12.75450003       1.12085994       0.61148143      -0.13849579      -0.27464333
Cl       6.94087006      12.16099998       2.74336998      -2.00701506      -0.42858017      -0.77707888
Cl       7.58477001       4.83709001       2.73572005      -0.34548780       0.37999338      -0.85353136
Cl      10.28250003       4.71215002       5.40191998       0.33498939       0.05442286      -0.52673249
Cl       6.00613003       4.60207003      11.28820002      -0.23559297       0.38789780       0.23680092
Cl       8.82921004       1.65264005       3.47398998       0.25531942      -1.08585399      -0.01917810
K       12.63170006       4.27186006      11.13520002      -0.96254454       0.00479417      -0.64845111
K       11.36879996       9.47488004       0.97155396      -0.65929905       0.16020375       0.16909334
K        6.46067997      10.64960003      13.19580688      -0.18818441       0.23421039       0.29859541
K        0.68937700       0.47967702       0.80489001      -0.03601565       0.13552110       0.32038500
K       10.89810001       7.65776997       9.61431996       0.11609079       0.28352928      -0.83306575
K        2.70700994       8.28474007       1.86634998       0.19389532      -0.07130987       0.56328670
K        3.34872006       5.61694001      10.09209996      -0.15933043      -0.38771625      -0.46062349
K        3.37084998      12.14239997       3.08997004       0.24335068      -0.00181702      -0.23377365
K        0.47046594       8.11938000       5.92672998      -0.09992836      -0.33591023       0.12457791
K        0.37929595      12.33689998       5.72366000      -0.14435334       0.37014864      -0.08759320
K        5.49332002       1.88241001      12.72139996       0.02024367      -0.49424319      -0.33366843
K        1.56838995       3.84990995       6.34254004       0.04192271       0.12795454      -0.16350642
K       10.03550001      12.94946475      11.55119995      -0.47648249       0.06032743      -0.83803842
K        4.66349004       5.02004997       0.76506505       0.33635417      -0.09601087       0.64603989
K        7.92649003       7.20339999      11.21849995       0.14714578      -0.31476636       0.25906489
K       13.07300770       5.37624997       1.93014996       0.15228434      -0.09507315      -0.04620421
Li      11.55270005       2.67323995       4.04892994      -0.17182406      -0.74399297       1.15702565
Li       9.73244998      13.01847074       5.74807000      -0.07238009      -0.25930755      -0.26397845
Li       7.06629999       7.33800995       3.46511003       0.25722011      -0.31348292       0.32438146
Li       7.59658000      10.11420002       3.45365997       0.32790046      -0.40018731       0.50720200
Li       6.05552004       0.29828798       4.56516996       0.28011477      -0.32085570      -0.26545570
Li       7.83739002       3.35223003       4.41888994      -0.54020644       0.24591840       0.67001010
Li       6.36221996       4.49014006       7.74437994       0.11309638      -0.69468785       0.32430641
Li       8.68639994       6.49337995       6.60628995      -0.00101730       0.25880672      -0.36502559
Li       9.61820994       5.56191997       3.28444996      -0.07320255       0.18675503      -0.08940182
Li       9.03791995      10.33120005       6.11015003       0.00903618      -0.26934067       0.13189748
Li       8.30748004       2.98833001      10.37880007       0.07996788      -0.18333618      -0.13215139
Li      10.03000000       3.74736996       7.39324999      -0.39945682      -0.61346445       0.31442520
Li       8.87000999      12.63942280       2.36003000       1.64743224       0.54745638       0.44691710
Li       9.00581998       2.56906007       1.40655994       0.04623391       0.35477706       1.14262287
Li       8.09212995       0.51514095       7.91581004       0.02734185      -0.13219752      -0.18031905
Li       5.17372002       2.14289004       5.89385003      -0.19707975       0.34514427       0.67026320
64
Lattice="12.35680077 0.0 0.0 0.0 12.35680077 0.0 0.0 0.0 12.35680077" Properties=species:S:1:pos:R:3:forces:R:3 energy=-547.3078206 stress="0.0010027686081187388 -0.003118386322167959 0.0005421052265550572 -0.003118386322167959 -0.0031006436590739197 0.00013651119181279218 0.0005421052265550572 0.00013651119181279218 -0.002110260414555164" free_energy=-547.3078206 pbc="T T T" config_type=wetmd 
Cl      10.94520001      10.54929998       7.24346999      -0.36645414       0.48478830      -0.40827967
Cl       6.26555006       7.85632999       7.40960001      -0.27788021       0.37230505       0.04262477
Cl       9.28379997      11.51270005       3.97114003       0.24149917       0.29301381      -0.29808591
Cl       8.34551003       9.58601000       9.21834995       0.12301755       0.39825082       1.80533422
Cl       0.88088000       0.08083226       2.38862000       0.04703981      -0.30307169       0.43862638
Cl       0.93882005       4.93033002       6.73914002      -0.28363569      -0.04626235       0.33560679
Cl      11.76270000       1.49368995       6.79382998      -0.00585891       0.24565897      -0.51190334
Cl       2.66093004       7.24986995       9.74458001       0.59932894      -0.15833810      -0.04613425
Cl       0.46327401       7.73692005      12.00130006      -0.25882560       0.10550454       0.15972403
Cl       3.57160994       1.31695001       6.02866006      -0.68398477      -0.22968003      -0.27115642
Cl      12.13919677       0.21122999      10.26210000       0.42263416      -0.44721562       0.36700423
Cl       8.68546996       1.35486995       8.47078995       0.29942432       0.44329920       0.28534526
Cl       7.80288003       2.07196006       5.07951998       0.26274285      -0.24394369      -0.50003103
Cl       2.90057005       9.07952006       6.56355000      -0.30689752       0.37126344      -0.04906704
Cl       9.28897994       8.01378998       5.51594995       0.12401076       0.43305032       0.00421503
Cl       3.26423996       5.64568005       3.62746997       0.37960401       0.67298945      -0.19854112
Cl       6.79943997       5.69334999       4.01918006       0.26014050      -0.18537741      -0.00970411
Cl       9.75750003       2.75052994       2.02808995      -0.09611963      -0.38843203      -0.13264338
Cl      11.19709994       3.51086996      10.18179995       0.30365511       0.40197721       0.93985040
Cl       4.50169002       1.16084000      10.16879998      -0.05958934      -0.26319429       0.34320359
Cl       9.41036994       4.81366996       7.30404995      -0.08952236      -0.30177518      -0.02593279
Cl       2.58463000       3.68736005       0.35408895       0.30122633      -0.42543425      -0.08650817
Cl       4.35204002       9.37932002       0.74374805       0.32191308       0.49603195      -0.38929017
Cl       6.53068005       4.61556004      12.33210002      -0.28479068       0.02032938      -0.34826186
Cl       6.14448999      11.87490000       7.04591996       1.06934481      -1.79453237       0.21742625
Cl       6.02731996       9.61975000       4.28541005      -0.45027685       0.11910399       0.21701973
Cl       0.17879920       9.05125005       3.48548996      -0.79857288       0.38810768      -0.02387066
Cl       6.11019999       1.51452995       1.41458999       0.09332852      -0.63018992       0.49807755
Cl       8.81699995       7.17876002       1.41106003      -0.32843107       0.51027350      -0.56205967
Cl      11.18449996       5.07707000       3.86565003      -0.04010673      -0.39982185       0.31520966
Cl       5.32119997       3.67604999       7.77536996       0.48415872      -0.19472301      -0.15184722
Cl       9.40920000      11.24890002       0.28126402       0.47190818       0.49892191       0.20724499
K       12.10880003       6.37765998       9.31001999       0.19977810      -0.15208593      -0.24219020
K       11.33729996       5.81743006       1.15503997       0.13083141      -0.13855013      -0.04033997
K        7.18827006      10.18429998       1.69568003      -0.15340732      -0.29701173       0.17445793
K        1.23150002      11.20109996       5.11019005       0.30624721       0.45683854       0.75182044
K       11.07870004       9.69196005      10.70429998       0.12107413       0.38714284      -0.01457015
K        3.10377998       8.54149000       3.41227999       0.16691606       0.06066845       0.30848216
K        3.50220995       6.16635003       7.12287997       0.48950737       0.28115449      -0.29595486
K        3.14399000      12.03139999       0.21667897       0.01690605       0.09043530       0.16602725
K        4.32637001      10.07960006       9.60348005      -0.18151888      -0.34579839      -0.17099235
K        5.08540997       3.32470994       4.56921006       0.50297157       0.25486869      -0.07803566
K        2.19357001       3.47870002       9.14139995       0.09051197      -0.29391947      -0.01582456
K        2.11092006       3.25859994       3.94360995      -1.30856425      -0.69885310       0.27781259
K        8.43340000       2.06442995      11.81680005       0.07451263      -0.00214837      -0.34960548
K        3.51845000       6.67457005       0.47847003      -0.39759086      -0.67923314      -0.31745181
K        7.56177006       7.18305994      10.85850000      -0.13118397      -0.34824762      -0.03865531
K        0.32956094       1.75831999       0.31949917      -0.75657268       0.84493558      -0.67956405
Li       8.22442006       1.24816996       2.91622006      -0.20262363      -0.05111899      -0.09924558
Li       8.23566005       9.37801996       7.19866003      -0.03104016      -0.79890474      -1.52536529
Li       6.98073005       7.79551995       5.16606998       0.05789954      -0.59677636      -0.14882603
Li      10.66580002       6.14026001       5.71389996       0.00276443      -0.19051781       0.20589487
Li       5.22661002       1.21872000       7.65623001      -1.16862775       1.42814783       0.57141606
Li       9.30432005       3.59181998       4.16254997       0.34441291       0.67396961       0.07138819
Li       7.52963002       2.96090002       7.04452995       0.07911168       0.86861348       0.63367243
Li      10.55730002       2.92827004       8.22628000      -0.14410363       0.62073834      -0.78106468
Li       7.41967995       5.49541999       1.84064000       0.02041230       0.08680255       0.34855039
Li       4.89525005       9.90759994       6.49480998       0.77624567      -0.15175214      -0.63572373
Li       4.86170999       2.68203001      12.32950003      -0.13134832       0.54088329      -0.35239529
Li      10.10850002       0.16239925       5.90403999      -0.04414360       0.09362562       0.15326941
Li      11.03569998      11.41340006       2.32788003       0.05005547      -0.16044883      -0.47256229
Li      10.60450003       9.82613996       4.62212002       0.06229964      -1.09817249       0.46973062
Li       8.01692997      11.69459994       8.57641996      -0.58959607      -0.28829284      -0.05783838
Li      10.88219997       0.44879925       8.51929002       0.27383256      -0.63987027       0.02048725
64
Lattice="12.33304442 0.0 0.0 0.0 12.33304442 0.0 0.0 0.0 12.33304442" Properties=species:S:1:pos:R:3:forces:R:3 energy=-549.70441562 stress="-0.0005332072063150156 -1.284332184907638e-05 0.0004928874131278299 -1.284332184907638e-05 -0.00024372826624134448 8.383019590744985e-05 0.0004928874131278299 8.383019590744985e-05 -0.0019338520109305544" free_energy=-549.70441562 pbc="T T T" config_type=wetmd 
Cl       7.73275003      10.80530001       5.08561004      -0.20446842      -0.38030419      -0.41787392
Cl       5.95677005      10.57990006       7.97533004      -0.05662958       0.15862062       0.51226252
Cl       1.06977000      11.76070002       7.83107005       0.34737136       0.14697077      -0.11197375
Cl       4.84837000       0.17268198       5.61498994      -0.30972754       0.71796571      -0.35678142
Cl       8.23171997       0.69687695      11.01090000       0.26445700      -0.24695710      -0.38568873
Cl       3.21075999       2.44950998       7.68173994      -0.47994657       0.10938884      -0.32738027
Cl       2.32749005       4.69893001      11.99640004       0.18568352       0.25017040      -0.34055609
Cl       1.48921006       6.16518999       7.79250006       0.14752376       0.26864197       0.38403314
Cl       2.33304004       8.76622006       0.84699698      -0.10622726       0.52175088      -0.75941430
Cl      11.44779995       3.29829994       7.86438000       0.06870924      -0.68357266      -0.38013826
Cl       4.67325002       0.77378298      10.19910005      -0.13867910      -0.33675214      -0.01927330
Cl      12.12730001       1.05844999      10.80869999       0.12099599       0.06880852      -0.19630967
Cl       9.31571996       3.88388005       1.02948004       0.77208581       0.00507470       0.02852900
Cl       3.77342999       8.07997999       4.46374995      -0.20389181      -0.04628012       0.08430614
Cl      10.82869999       9.32921996       7.35364002      -0.25566562      -0.30557830      -0.08740894
Cl       2.46095998       3.76042997       3.84761004      -0.32730611      -0.14117848      -0.11211462
Cl       6.04349997       4.06037997       3.76238994      -0.71209812       0.14618080       0.07724575
Cl       5.97760994       3.76925994       0.31634900       0.65386337       0.20636192      -0.56352663
Cl       6.98538999       3.18435001       7.12543997      -0.44971791      -1.29641880      -0.44475475
Cl       9.15690994       0.25686500       7.32616002       0.40857535       0.67341968       0.74917481
Cl       7.86234998       7.03775005       2.79536000      -0.02574205       0.12691183      -0.33457356
Cl       6.11679994       9.77338999      11.80499994       0.18233874       0.09434259      -0.27691685
Cl       2.28564995      12.26519997       2.37767999       0.44882867       0.51976626      -0.35206043
Cl       9.84239005      10.87969997       1.19604002       0.08412503      -0.11767944      -0.03022613
Cl       7.11244994       0.55628801       1.94732001      -0.46570202       0.25726580       0.06420572
Cl       8.85300005       4.15423000       9.67224004      -0.06718928      -0.07582876       0.32174718
Cl      11.41240004       7.79951004       4.02179999       0.08109571       0.57337572      -0.14923869
Cl      10.73739994      11.92609996       4.38226996      -0.00688056       0.52771251       1.03861635
Cl      10.54260000       7.61467001       0.02231356       0.18495122      -0.18704189      -0.48819775
Cl       8.40334995       6.06235004       5.88597998       0.25701750       0.23073838       0.80896483
Cl       9.04956004       2.81786003       3.97697998       0.66456973      -0.65299727       1.03801547
Cl       5.61260005       6.29029997       8.51174002      -0.01242078       0.24208381       0.01471111
K        0.12712902      10.64680004       2.81922000       0.29950180      -1.65568814      -0.95082449
K       11.86590002       4.89850999      11.19840002      -0.38050091      -0.01044717      -0.23338179
K        4.70912006       9.98526997       2.06676998       0.10230360       0.18735542       0.57575497
K        1.34396996       8.72344006       6.35495004       0.17564610       0.15123083      -0.10627625
K        3.59363998       2.60755005       1.23688004      -0.11813398      -0.49706477       0.45574077
K       11.27240001       5.99931005       6.36654002      -0.02171283      -0.18301643       0.16658217
K        3.67111998       5.30906002       6.01542996       0.28714206      -0.01446725       0.09997020
K       10.92280001       1.36034997       1.88819995      -0.09822284       0.21592320      -0.42316665
K        3.82905004       7.37249996      10.74650000      -0.07665641      -0.00330950       0.05369256
K        1.54619995       1.16637005       5.04216998       0.26478923       0.18619257       0.23867948
K        2.38458995       6.32403998       2.21004999      -0.04883757      -0.30024547       0.46048499
K        8.01952994       5.98296001      11.80060001      -0.30143170       0.76474614       0.35125714
K       10.12359999      10.36770004      10.52290006       0.12147979      -0.05936323       0.05520094
K        4.79192005       3.73733006       9.82079994       0.09435213      -0.11862639       0.09884281
K        6.46359997       8.30111999       5.91429998      -0.25840872      -0.07464822       0.02597219
K        2.46343004      11.34689998      11.11440002      -0.20134544      -0.00080511       0.31529448
Li       8.17884994       2.97993005      11.77180000      -0.52361599      -0.45363078      -0.56913375
Li      10.03429999       1.79946000       9.05090002       0.00314626       0.12027009       0.50019869
Li       9.71633005       9.69705005       5.11076995       0.33740946      -0.12477853       0.04697300
Li       7.47599997       5.18413997       7.76123998       0.23480312       0.23113915       0.30788458
Li       6.86778997       0.08475552       6.68996005       0.07886457      -0.53904634      -0.01301965
Li       4.01873005       0.23078604       7.85364001       0.25329543       0.03483846      -0.00077754
Li       8.12653995       4.96733997       4.02741004      -0.14522760       0.30850316      -0.36310383
Li       9.29340998       2.53050996       6.50948999      -0.11412847       0.18551408      -0.24738506
Li       9.91850997       7.74705994       2.17102996      -0.08709664       0.02341666       0.07183919
Li      11.23480001      11.46630001       7.02664994      -0.15837021       0.35136254      -0.19455121
Li       6.65249004      11.83370005       9.74435998      -0.38289146      -0.02041248       0.37276215
Li       8.35907000       0.11175699       3.70857001       0.33989237      -0.00958122       0.07749602
Li       7.43779997       2.98540000       2.35228995      -0.22419957      -0.21280630      -0.58436828
Li       7.68270994      11.27579998       0.36764904       0.07532449       0.25418021       0.13578788
Li       5.55010000       2.44789004       5.22499996      -0.01829932      -0.13799958       0.26212709
Li       1.28825999       1.77895002       8.76731005      -0.55877002       0.02630184       0.02604325
64
Lattice="11.81430325 0.0 0.0 0.0 11.81430325 0.0 0.0 0.0 11.81430325" Properties=species:S:1:pos:R:3:forces:R:3 energy=-548.95739837 stress="-0.010496030956688893 -0.0018474551816403588 -0.0016583918311536008 -0.0018474551816403588 -0.021827934770723128 0.0015042759011154336 -0.0016583918311536008 0.0015042759011154336 -0.015288523045461232" free_energy=-548.95739837 pbc="T T T" config_type=wetmd 
Cl       6.58042998       9.27226995      10.49109999      -0.32931476      -1.80188804       0.14532738
Cl       7.40157002       5.54397002       8.40525001      -0.23299959       0.15506203      -0.01582471
Cl       0.75495702       8.91198001       3.80562005       1.26373516      -0.09552170      -0.17554002
Cl       6.81991004       9.32058005       6.77591003      -0.38021909       0.11402419       0.20613218
Cl       8.77128005       2.77333999       1.68366994       0.08885522       0.34375169      -0.40554089
Cl       1.05318996       0.12482697       5.64646004       0.48107858       0.44187243       0.25850882
Cl       1.18627005       4.71875003       2.41518006      -0.03103531      -0.06667086      -0.35076774
Cl      10.79189994       6.04090998       9.42912999       0.72138499      -0.21188332       0.40025094
Cl       2.36768998       8.85293000       0.32382202      -0.26439904      -0.25291524       0.21711403
Cl       0.93956803       1.76145000       9.47205005       0.84155739       0.49455644       0.89808441
Cl       6.95541998       1.02994000       7.23253994      -0.01339364      -0.21089993       0.03998991
Cl       0.52939680       8.61207995       7.37226003      -0.31382397       0.05575754       0.44319724
Cl       8.31319001       6.26276995       3.88689998       0.22041539      -0.30015199      -0.03610702
Cl       5.09278001       8.63458998       3.56570995      -0.10962519      -0.65781039      -0.34991664
Cl      10.15239998      10.87109996      10.70219997      -0.10392906       0.09485941       0.28323581
Cl       5.58304996       4.82658001       1.96222995      -0.19905870       0.55527817      -0.44374320
Cl       5.32990004       1.20406003       1.58482995       0.45606674      -0.45277730      -0.49721076
Cl       5.22694997       3.34059006      10.25579994      -0.28705367      -0.07202326      -0.62145290
Cl       3.68567002      11.20839997       8.34464996       0.41881400      -0.07976915       0.49269962
Cl       6.80338999       0.28189672      10.24550000       0.15871038       0.53052373       0.65501466
Cl       2.94959002       6.25231996       5.87609005       0.11669015      -0.00592950       0.14619461
Cl       7.67380996      10.68139994       2.27340003      -0.27263234      -0.06867996      -0.32222549
Cl       0.93922199       0.79354300       1.76322002       0.58387786       0.12270858      -1.00974038
Cl       9.41249994       9.22804996       4.61497000       0.15381001       0.01441382       0.67205865
Cl      10.23169995       3.44589000       6.89205999       1.22496539      -0.22722149      -0.69755944
Cl       8.66583999       2.78762998       9.84093005       0.04231391       0.53744879       0.16823254
Cl       9.38982002       0.58365895       4.44854002       0.79437092      -0.37008236      -0.53384938
Cl      10.04999998      11.39663420       7.27552995       0.44867874       0.05908107       1.38888813
Cl       9.14050999       8.08189998       0.72705896       0.21758238      -0.21012073       0.04865678
Cl       4.63072001       0.02759679       4.82213996       0.35651673       0.00059551       0.64348914
Cl       3.72121005       2.83965001       6.85015005       0.33133993       0.44406179       0.27180422
Cl       7.37433001       3.09594998       4.82423995      -1.24978828       0.54008777      -0.27519758
K        3.10280003       6.81540005       3.04369000      -0.50740327      -0.30940044      -0.06849646
K        8.74155999       5.37707999      11.42960000      -0.81490182      -0.31714270       0.20586837
K       10.97310005      10.49610004       2.23585004      -0.97885563      -0.11058722      -0.36039585
K        1.32697994      10.32939998       9.85600995      -0.39113067       0.10146218      -0.05023398
K        3.17614996       2.37541996       0.23499677      -0.72407443       0.31074904      -0.19541671
K        3.19637995      11.03620001       2.64161004      -0.33382506      -0.71206542      -0.51671040
K        1.66572000       4.91483994       8.20774003      -0.02107203      -0.27004304      -0.17033682
K        6.09574996       6.68523998       6.00393995      -0.01894525      -0.55744696      -0.36270530
K        3.15921002       9.24660999       6.33039998       0.03761231      -0.19924332      -0.68170536
K       11.68900004       2.40864001       3.63663003      -0.54553691       0.47337239       0.99018374
K        4.93086002       7.57428001       0.34503401       0.53675020      -0.22921133       0.08646204
K        4.46558995       2.78339999       3.65296000      -0.25163752       0.45658001       1.11228868
K        9.20467997       8.45744998       9.28588003      -0.11285284       0.09642387      -0.50162368
K       11.79328679       6.71656998       0.49619672       0.30612867       0.27765116       0.14449936
K       11.26359994       6.87545003       5.15974997      -0.35720456      -0.75593672       0.23601167
K       10.65940005       1.77901999      11.47719995       0.56061614      -0.02776452       0.54417449
Li       8.31182995       8.25575997       2.94024999      -0.09479267       0.18399257      -0.31405250
Li       6.13570995       3.14588999       7.69112004      -0.01475299       0.50627922       0.01858700
Li       7.94599000       1.06543005       2.93614995      -0.63408241       0.20856533      -0.13043231
Li       5.10605999       0.97506705       9.01794002      -0.06354257       0.77876486      -0.10644544
Li       8.74316000       0.78614500       8.89763000      -0.18855741      -0.35834394      -0.17916730
Li       7.85477000      10.60900000      11.75009995       0.22604789      -0.07808226       0.16427794
Li       8.90114003       2.07029999       5.84400996      -0.13843318       0.00740811       0.74943321
Li       9.41300004       4.50703996       8.51035006      -0.40745978       0.16257662       0.14204277
Li       7.59222995       4.32571995       3.01654995      -0.05052710       0.13569486      -0.07657314
Li      11.38659995      10.10040003       5.69609997       0.07851459      -0.05723638       0.03119987
Li       6.21095005      10.39370004       8.67051999      -0.28213756       0.24347552      -0.26726941
Li       6.17029999      10.26890000       4.19453995       0.63796396       0.79609271       0.26351239
Li       8.27427996      10.85719996       6.20100997       0.07264321       0.21699161      -0.65879785
Li       6.60735998       2.17706006      11.61170000       0.20887335       0.02503641       0.17932428
Li       0.05639676       0.98780996       7.80389997      -0.60683335      -0.28247203      -1.51727559
Li       3.26885999       0.73428801       6.55183004      -0.26008256      -0.13587793      -0.35443068
64
Lattice="12.53775932 0.0 0.0 0.0 12.53775932 0.0 0.0 0.0 12.53775932" Properties=species:S:1:pos:R:3:forces:R:3 energy=-547.59529148 stress="0.000587639975379174 0.0001512683600881564 0.00038399904980063984 0.0001512683600881564 0.0009866757444074172 -0.002480636833918779 0.00038399904980063984 -0.002480636833918779 -0.00046650748132050137" free_energy=-547.59529148 pbc="T T T" config_type=wetmd 
Cl       8.90677996       0.90055904      12.51849994       0.00748740      -0.00908654      -0.06382828
Cl       3.01575000       7.06048996       0.08431530       0.07647229       0.17976813      -0.34093387
Cl       1.48256998       8.54974996       3.29411998      -0.64632529       0.40673567       0.31374700
Cl       7.05512994       9.38262003       9.70212000      -0.45778300      -0.16965435      -0.20036768
Cl       8.02606995       4.33990000       1.81782001       0.16375345       0.14656046       0.06174216
Cl       0.59533995      10.96070002       5.74554005      -0.11307165      -0.09087335       0.03199139
Cl       3.11123006       5.58682004       4.19460003       0.37690718       0.43071679       0.28188459
Cl      12.30989996       5.45222004       5.84147998      -0.58002414       0.24079753       0.09885147
Cl       2.08121000       4.44365999       9.30840000       0.09188066       0.07446943       0.39279692
Cl       1.44300996       1.79708005       6.75545004       0.20196287      -0.03408835       0.43997565
Cl       8.12950997      11.93249999       7.48549994       0.24608904      -0.04638812      -0.67642887
Cl       8.57510996       8.78585001       6.39106000       0.20346480      -0.98935888      -0.12844104
Cl      11.57009995       5.20228006       2.12293002       0.13087167       0.37468648      -0.02544861
Cl       6.11899000      11.48650005       4.76431996       0.46998438      -0.06194883      -0.20948591
Cl       0.85633799       9.53636004      10.31949995      -0.64355569      -0.79380926       0.66018582
Cl       6.52813996       7.68029999       2.32814004       0.00801398       0.08883517       0.79382914
Cl       5.55560001       1.50890003       2.14717002       0.09171944      -0.18900636      -0.47132772
Cl       5.81287997       4.53936999      11.90840004       0.38734104      -0.50089450      -0.44157727
Cl       2.81402999       0.49318906      10.90740000      -0.00001799       0.24053787      -0.28129751
Cl       2.84194005       3.56527999       0.76749505      -0.15698579      -0.36389931      -0.34182627
Cl       4.26513998       8.65648002       7.21110995       0.66194859      -0.21257722       0.19811597
Cl       9.45573999      10.86450005       2.83190006      -0.15112723      -0.08711165       0.51639070
Cl       2.14793006      12.17822327       1.91716006      -0.24570301       0.36564484      -0.69636437
Cl       9.23762999       8.41235994      12.50165747       0.64985289      -0.36958292      -0.24479848
Cl       8.43098002       2.62664002       9.40802002      -0.09709114       0.17173709      -0.54665866
Cl      10.12379995       4.55287002      11.38780005       0.95848250       0.25149831       0.20682175
Cl       9.87138000       1.55438000       5.36340995       0.09739294       0.08712130      -0.84412748
Cl      11.49199999       0.69884605       9.76152001       0.36424406      -0.27304072       0.15204946
Cl       6.27491998      10.65789997       0.29610602      -0.02918325       0.18602125       0.54934138
Cl       6.67676996       4.00621995       5.75966997      -0.17565356      -0.19173856       0.32264705
Cl       5.10838002       2.32196005       8.69297995      -0.23283533      -0.30903513       0.22183890
Cl       7.31782998       6.00258003       9.02162998      -0.61342363       0.38294334      -0.60730119
K        5.07651994       4.50254997       2.48794995       0.27845246      -0.18702940      -0.18181052
K        9.15737003       4.60920004       4.45850996       0.72891413      -0.06973778      -0.17705050
K       11.31400004       8.87637000       4.55662006       0.09059977       0.05315170       0.03397456
K        1.30483997      11.64820003       8.65001994       0.05034798       0.61838277      -0.93179373
K        0.58445304       3.12687003      11.61409996      -0.23947936      -0.36034099       0.02826818
K        3.17647004      10.28810001      12.33253237      -0.01728794      -0.13830421      -0.03779359
K        0.28110396       1.04114005       3.83156997      -0.13973541       0.00836522       0.56494918
K        5.91873001       6.86744997       5.27532003      -0.04005247       0.19891590      -0.23894044
K        6.96206003       0.02964064       9.87558002      -0.53965940       0.33473286       0.96393870
K       11.08059999      11.12789994       0.18276806       0.04756822       0.13985232       0.16115597
K       11.11229996       3.06577002       7.30457005       0.51369061      -0.05768726       0.74936431
K        3.32563000      11.15400005       4.24794005      -0.39893948      -0.34201186       0.54174465
K        6.10621001       7.37741004      12.07729995       0.22027960       0.60652333      -0.14129968
K       12.46629998       6.68123001      11.56669996       0.17955984       0.27338425       0.25701865
K        2.06575006       6.64626998       7.22314996      -0.03433704      -0.01294738      -0.16386371
K        9.95585002      10.27019998       9.50038005       0.05154482      -0.02683227      -0.30680862
Li       9.50718003       5.77729004       0.78686802       0.24459642      -0.08882195       0.28326883
Li       3.84372996       4.59003996      10.80320006      -0.25451009      -0.25306252       0.52179282
Li       7.03386001       2.72395998       0.60702502       0.16286939      -0.42420613       0.01617974
Li       2.96534997       1.95560998       8.92539001      -0.47888680       0.24789146      -0.42723344
Li      10.08329998       1.92891998      10.82810005      -0.82742835       0.30735265       0.25794730
Li       6.56228003      11.90799996       2.44744998      -0.04263562       0.26524995      -0.30858175
Li       8.09782994      10.41230006       5.08414002       0.18908717       0.86298557      -0.55687662
Li       0.96602006       5.72756002       3.99864000      -0.62854190       0.05062463      -0.58157644
Li       7.76362004       1.38202994       5.83342999      -0.45171489      -0.15430650       0.31547828
Li       5.79662001       7.63677001       8.66529996       0.14776909       0.51508342       0.08420072
Li       6.99037994       9.91808002       7.48158001      -0.25079048       0.38338727       0.18013386
Li       2.86903001       7.44873998       2.27872998       0.66876486      -0.84637283      -0.19909928
Li       8.14941003       9.55977994       1.58919999      -0.64199423      -0.40761290      -0.28936334
Li       3.53036998       1.27635995       0.39223703      -0.00355415       0.24566114       0.73235134
Li       8.15646001       4.65440004      10.47609995      -0.33111642      -0.61856743       0.19539800
Li       6.22305001       4.08362996       8.22777002       0.70153120      -0.05968267      -0.46706958
64
Lattice="11.32140122 0.0 0.0 0.0 11.32140122 0.0 0.0 0.0 11.32140122" Properties=species:S:1:pos:R:3:forces:R:3 energy=-545.8127245 stress="-0.03986498211920482 0.006281649987486823 -0.00026535048912879506 0.006281649987486823 -0.03905206286105857 -0.00013047855478980663 -0.00026535048912879506 -0.00013047855478980663 -0.03499333083640013" free_energy=-545.8127245 pbc="T T T" config_type=wetmd 
Cl      10.80200001       1.55420003      10.62600000       0.22005078      -0.57071709       0.63012798
Cl       4.27787998       3.51940996      11.29849995      -0.30362188       0.01940351       0.15742605
Cl       1.44156002      10.67900001       0.79917296       0.10418100       0.23202605       0.94346902
Cl       2.57094994       6.41209001       0.03519880      -0.77165604       0.52403446       0.27494238
Cl       6.36527001       0.93741395       4.49339995       1.39266544      -0.07386440       0.02717185
Cl       4.17699000       4.69634003       8.16350002      -0.46204235       0.50848368      -0.75992503
Cl       4.40733002       8.48912005       2.68793002      -0.53771457       0.52139070       0.00860552
Cl       7.38440998       4.17393005       6.27270001      -0.35542722       0.44643317      -0.46899592
Cl       1.20333996       3.72937995       9.31693004      -0.18875360       0.40663890      -0.02771599
Cl      10.87680006       4.80808996       6.46920002       0.97270303      -0.09222643       0.56355455
Cl       5.28902999       7.15525996       6.19416005      -0.24321646       0.30335432       0.00972084
Cl       8.61678006       7.70244003       7.83564005       0.39379105      -0.09215201       0.66261408
Cl      10.19210005       8.12518002      11.30240006       0.33415436       0.39330102      -0.47713449
Cl       2.44494003       8.98180003       9.51832995      -0.58553047       0.66064351      -1.17763437
Cl       6.75597995       6.93896006      10.92000003       0.17486313       0.17032895      -0.23351083
Cl       4.07165998       1.15053004       2.47422001      -0.25258127       0.12743726       0.48450508
Cl       4.34081996       4.52997000       3.90628997       1.30981604       0.46755979       0.88837878
Cl       7.65213995       2.49435999       0.55051502      -0.91751024       0.68621534       0.02074270
Cl       4.80113998       0.01429882      11.15489998       0.08387797      -0.87643470      -1.33318158
Cl       1.48764005       3.76627005       3.18368999       0.22980709      -0.17799965       0.16414309
Cl       0.93879878       8.02805995       5.90284998      -0.48733354       0.84281036       0.56290676
Cl       9.88717996       2.51985001       4.22366995      -0.17179787       0.18779286       0.39701933
Cl       2.06683999      11.02099995       4.56143999       1.09299593       0.14879661      -0.48432648
Cl       9.55666003      10.61240005       5.22975000       0.44245192      -1.42485068       1.06674646
Cl       7.64558996       1.72050995       8.32373996       0.09557715      -1.22599862       1.30360591
Cl       9.53034004       4.85069998       9.92121006      -0.18401569       0.36374307      -0.15207644
Cl      10.75220000       6.10534004       2.82716005      -0.24357568       0.17972302       0.67007208
Cl       6.05877998       9.85616996       8.48352999       0.14659455      -0.16961083      -0.34125325
Cl       9.08710005      11.08809997       2.16964997      -0.31443502      -0.23667120       0.16609719
Cl       7.49525998       6.79907996       2.99872003      -0.41569688       0.51821720       0.21821164
Cl       4.74515995       1.70021000       7.35641001      -2.11964687       0.22361519      -1.66897851
Cl       0.69493999       0.45419877       7.49089999       0.53263745      -0.26412193       0.21752661
K        7.67838002       3.89260998       3.13096000      -0.51951239       0.10146142      -0.00312586
K        0.19279882       4.58745000       0.64263806      -0.09182888      -0.32591942      -0.38901489
K        2.29045000       6.58583004       4.08226995       0.15843034      -0.37983326      -0.61912692
K        3.37601999       9.57607997       6.96011002      -0.06535349       0.35434974      -0.38157148
K        2.61492000       1.28827006       9.70050002      -0.26859372      -0.48409296       0.41361744
K        7.07397999       9.72550005       0.54124596       0.03359403      -0.33446631       0.14295393
K        1.81065004       3.06172001       6.68885004       0.69661350      -0.14036299      -0.84549622
K        4.95368997       5.97028002       1.33297997       0.39565114      -0.23190951       0.85986014
K        4.66853999       7.42744003       9.14496995       0.15946276      -0.29137196       0.02317377
K       10.05349995      10.06869995       8.92660005       0.00142880       0.41520934       0.08794338
K        9.21769999       6.54060003       5.38851997      -0.66396258       0.87197148      -0.58191711
K       10.16350004       2.55256003       8.09280002      -0.01151279       0.52878388      -0.33807601
K       10.86749998       8.90358002       2.60072999      -0.01441407       0.31376598       0.51319466
K        6.72964003       4.36197999       9.30387997       0.50556971      -0.29593243       0.28300671
K        0.45169878       6.81337006       8.62002002      -0.27139354      -0.30039122       0.16890339
K        0.40179879       1.27150000       2.57223006       0.11687323      -0.33410674      -0.33617250
Li       3.60973006       3.25779003       2.41963998      -0.61844308      -0.31281726      -0.65078540
Li       5.81241995       7.72657001       4.19392002       0.44043701      -0.20622888      -0.70038676
Li       8.78424000       6.93101006      10.19540001       0.09168343      -0.35335430      -0.38022747
Li       5.07667005       4.72477996       6.06504004       0.54665303       0.00484479       0.06320405
Li       6.83462995       1.98400005       6.41955998      -0.25478501       0.22558832      -0.40115523
Li       3.13144003      10.39629998       2.60603995      -0.09244930       0.23755622      -0.53057760
Li      10.86200004       4.43773002       4.37092005       0.56415507      -0.08149352      -0.66656721
Li       2.03338004       8.82609001       0.20739879       0.11478946      -1.23812891       0.12894828
Li       4.35369997       0.68598295       4.77344998      -1.05710708       0.32253417       0.00676186
Li       2.83948000       4.84460997       9.86143996       0.68926213      -0.19413996       0.44045494
Li       5.66079005       0.65799882       8.79502997       0.97843967      -0.63579900       1.40783062
Li       0.41369883      10.51990002       5.72677004      -0.84046491      -0.60906842       0.43799502
Li       8.57243005       0.84209873       4.32755003      -0.41292597      -0.06649878      -0.73239621
Li       5.51657000       1.80124999       0.59399883       0.32560933       0.32638591       0.55680238
Li       9.18549004       1.11694997       0.59159495       0.26766784       0.04524579      -0.42741518
Li       6.90019999       8.57941004       6.89133998       0.12481508       0.34091737       0.13650644
64
Lattice="12.14872505 0.0 0.0 0.0 12.14872505 0.0 0.0 0.0 12.14872505" Properties=species:S:1:pos:R:3:forces:R:3 energy=-545.95962337 stress="-0.008650597462269498 0.0008635415858890556 0.0043658592499666565 0.0008635415858890556 -0.0087830852774356 -0.002995226517288599 0.0043658592499666565 -0.002995226517288599 -0.004156234065302372" free_energy=-545.95962337 pbc="T T T" config_type=wetmd 
Cl       9.02983997      11.79320002       3.38691997       0.25600099       0.06830347      -0.08251090
Cl       2.20319000       2.03596996      11.29250004       0.97490999       0.01825523       0.02463296
Cl       3.63116997       9.72054006       8.69444003      -1.76677220       1.81066574       0.94120513
Cl      11.36940001       4.20801998      12.05789997      -0.08368960      -0.13595275       0.15726549
Cl       6.33456003       8.85039006       4.37354005       0.43989636       0.52355010      -0.09297553
Cl       9.50080996       7.49639995      11.49220005      -0.64344667       0.13139620      -0.19357023
Cl      11.45270005       7.91696002       2.59786004      -0.03619952       0.43265461       0.32705625
Cl       5.33502999       4.30895997       9.74128996      -0.16840476       0.04714481      -0.08675539
Cl       2.68128995       6.18109005       7.85054998      -0.37118675       0.41015011      -0.04114244
Cl       9.80102002       2.54454001       5.23945998      -0.37275921       0.52109372       0.23594060
Cl       5.84693001       0.54491697       5.57573001       0.77380533       0.65521280      -0.17715994
Cl      10.08930003       6.58341998       6.84194995      -0.79266059      -0.15444032       0.56849289
Cl       7.18293004      10.95380002      10.91120003       0.21979225      -1.05565898      -0.03283902
Cl       6.30298999       8.03287003       8.83357999       0.49507891      -0.62556595       0.14744918
Cl       5.45624001       7.94503001       0.71545105       0.52380136      -0.00032054      -0.53933118
Cl       1.67906994      10.74909996       1.03823004       0.92498180       1.39046882       0.22038181
Cl       3.91838004       3.93043000       5.81995000       0.35447914      -0.24380448       0.16271110
Cl       2.96313005       7.52193001       3.01141005       0.66132586      -0.12224583      -0.18298160
Cl      11.41909996       2.63631999       8.49662003      -0.43072357       0.26100965      -0.43736739
Cl       0.48997497       2.12144997       2.37465006      -0.33012754      -0.46746643       1.00419961
Cl       2.71592001      10.39010003       5.37149002       0.31695835       0.28552525      -0.83548612
Cl       0.27477500       5.16949997       5.37500999       0.58335996       0.04504606      -0.73629955
Cl       0.90392394       7.52238996      11.57549997       0.48664845      -0.98276666      -1.07255849
Cl      10.96910001       0.35980697      11.82950005      -0.03667981      -0.39763553      -0.12817793
Cl      11.70200003      10.19219997       7.41882998       1.45516993       0.26001085       0.12306403
Cl       7.98153001       1.34676004       0.53655901      -0.26046778       0.98389656       0.42001242
Cl       6.82005005       5.26231003       3.54886005      -0.57393797      -0.01674671       0.11711218
Cl       8.37952005      10.67820000       6.94255002       0.80571528       0.55733844      -0.88124276
Cl       7.59396004       1.45447999       8.99540999       0.23946349       0.12930522      -0.48489732
Cl       3.30043004       3.85589004       2.10974006       2.08833478      -0.52125470      -0.13017970
Cl       4.16315001       0.28197397       2.65061005       0.53346679      -0.19562016      -0.25601623
Cl       3.00286998       0.72220902       7.88943003       0.25475561       1.22763294       0.01194098
K        6.93019003       2.13475003       3.30212005       0.06130061      -0.02747160      -0.09118041
K        9.59493998       5.83629003       3.25309995       0.36192173      -0.38946604      -0.11374686
K        1.05286002       5.08720001       2.52976000      -1.50559952       0.81906809      -0.22500778
K        6.77552000       4.66531002       6.79282002      -0.01065605       0.12173867       0.09632343
K        4.57159002      10.68040001      12.07909998      -0.29341910      -0.28538457      -0.06387986
K        1.20687002      11.74659994      10.01020004      -0.48020743      -0.21990211       0.22644759
K        1.22811000       7.88547004       5.23482002      -0.12950740       0.14311646       0.35038068
K        3.21547996       5.65684000      11.82999997       0.18689209       0.16029557      -0.09162699
K        5.95026998      11.02680001       7.89132997      -0.40069838       0.15166072       0.71892972
K        9.59167003       9.12483996       8.90247006      -0.45761097      -0.42871568       0.63151002
K        8.49457006       3.86435005      10.22859998       0.64529798       0.36503082       0.60682124
K        1.19544001       2.63488996       6.14786997      -0.11606408      -0.61348172      -0.10344295
K        8.82706001       9.56223998       1.48120998       0.06742553       0.07715984      -0.20347489
K        5.14754006       1.94699003      11.61370006       0.39380602       0.07317716      -0.14630029
K        0.13987495       6.53624004       9.07744001      -0.68027814      -0.30540351       0.05917115
K       10.07730000       8.98838997       5.33030001      -0.26940162       0.57792813      -0.63889208
Li       4.59599001       4.98342998       3.94703002      -0.58645492      -0.22941239      -0.29241709
Li       5.53303004       7.44092000       2.89247002      -0.19185076       0.07086637      -0.02456786
Li       7.32615002       8.22572995      11.04640003      -0.47524087      -0.04788552      -0.20116643
Li       3.50160005       4.27207001       8.28498997       0.60273387      -0.61123366      -0.08998455
Li       3.79282005       0.29325698       5.79718001      -0.50869329      -0.14399410      -0.34438519
Li       0.91352605       8.93543004       0.79054803      -0.84298604      -0.52608475       1.30781843
Li      10.76680004       4.44795998       6.46284000      -0.51427799      -0.71149356       0.41345435
Li       3.98343999       7.83837004       8.29108997       1.10362043      -1.33258035      -0.10180456
Li       7.16716002      11.28529997       4.47219000      -0.01011197      -0.82793362       0.48135967
Li       0.36573299       1.97110002       0.23067501      -0.95666611       0.63987204      -0.55231684
Li       2.12180994      11.06519994       7.31527995      -0.66957475      -1.22751654       0.14660889
Li       3.26959002      10.21499997       2.94941000      -0.31412304      -0.09009909       0.27011891
Li      10.36089996       1.31982996       1.96698003      -0.11279544      -0.33073005      -0.20659945
Li       2.66738999       1.60529997       1.72153994      -0.48038097       0.24769287      -0.07572888
Li       9.27647002       1.29970001       7.27374006       0.16129161      -0.15775487      -0.02422502
Li       8.85730997       0.36927605      10.74439998      -0.09857969       0.21975547       0.21183097
64
Lattice="12.09304657 0.0 0.0 0.0 12.09304657 0.0 0.0 0.0 12.09304657" Properties=species:S:1:pos:R:3:forces:R:3 energy=-547.72267796 stress="-0.00303868453502277 0.00033377774526068037 -0.00022916638230351092 0.00033377774526068037 -0.012889120657427085 0.0005775385172815524 -0.00022916638230351092 0.0005775385172815524 -0.007515570102369577" free_energy=-547.72267796 pbc="T T T" config_type=wetmd 
Cl       6.60342005       6.80727000       2.87938003       0.72655845      -0.53223138      -0.22180421
Cl      11.96669999      11.30059999       5.95878001      -0.21606236       0.35068566      -0.33964792
Cl       1.50411003       2.58855000      12.07879999      -0.00772864       0.40962334       0.69834914
Cl       1.47325003       3.58320005       3.36310999      -0.18821855       0.28224091       0.28459783
Cl       0.32755347      10.55759994       2.21484994      -0.39615152       0.20878674      -0.10416941
Cl      10.17969998       9.35776003       9.07559999       0.45774939      -0.18198809      -0.46088184
Cl       3.96691000       9.29912000       3.21374998      -0.27698631       0.16481679      -0.03193518
Cl       2.69972996       1.22804005       8.82945002       0.01258469       0.22638179      -0.17882805
Cl       0.30515340       3.85624000       7.22595001      -0.48164400      -0.23372888      -0.16301641
Cl       5.20580997       3.69042994       5.38052003      -0.16536390      -0.12325989      -0.37003016
Cl       7.71749003      11.96649997       8.10950004      -0.03313142      -0.09990284       0.09631114
Cl       2.04571998       9.42149002       7.60042995       0.21516549       0.47011054       0.23627246
Cl       5.68541004       2.24600998      10.96689999      -0.39438947      -0.61300565      -0.21340961
Cl       7.22400001       8.75926996      10.17100000      -0.16006081       0.83971840       0.15136181
Cl       6.71374999      11.43720002       2.61806997      -0.72381252      -0.08583516       0.29925626
Cl      10.84120003       0.42142901      10.18089997       0.09147808       0.03447939      -0.01358130
Cl       2.64469995       6.57373005       4.74203994       0.35189119      -0.56231973       0.24656176
Cl       3.14467003       0.44000997       3.39990998      -0.11358741       1.54368255      -0.33555709
Cl      10.13619996       6.44931002       5.60186994      -0.40356320      -0.01275945       0.47314027
Cl       9.54626003       1.99295004       1.51600996      -0.17574320       0.57282293      -0.10015947
Cl       4.16092999       6.86823999      11.91429997      -0.47658713       0.70757818       0.39962810
Cl       7.43329001       9.19259006       5.19820998       0.35111061      -0.84943251      -0.67675275
Cl       0.72607704       6.37232000      10.63470001      -0.16509448      -0.14801629       0.06137148
Cl       4.67701998       3.92898996       1.54530996      -1.25893705      -1.38144147       0.61378905
Cl       2.64112004      10.97199999      11.54459994       0.54413205       0.24655434       0.55994645
Cl      10.88070003       7.10914001       2.37735002       0.33270742       0.01647050       0.70338558
Cl       7.78779006       5.30279004      11.30580000       0.11872040       2.67885551       0.43836386
Cl       8.67594995       2.40533998       4.89841996       0.11729911      -0.02867256       0.75558768
Cl       9.24407004      10.52749999       0.42595495      -0.12381889       0.01878355      -0.09992295
Cl       5.01909998       6.10045997       8.32080003       0.56503519      -0.25258881       0.63106031
Cl       4.75639003      11.95989995       6.14166001       0.52903380      -0.56218229       0.39345159
Cl       8.99103005       3.89825004       8.49010994       0.00442792       0.01309160       0.11757579
K        9.88324003       4.50971994       3.48321994       0.58462324      -0.11948605      -0.93288497
K        9.31027003       7.45937000       0.23407700      -0.35233837       0.53537620      -0.80175789
K        3.46402997       4.63322006      10.27580003      -0.47249722      -0.66728472      -0.01761746
K        6.49446001       2.68380003       7.73744005      -0.49634762      -0.36384451       0.10000427
K        6.01899999      10.77829998      12.05740002      -0.48939369       0.14779702      -0.42537701
K        0.86078801       8.70944999       4.66765005      -0.52049047       0.74700211      -0.36850665
K        2.45775995       2.10980998       5.70822998      -0.23792975      -0.13547906       0.75514576
K        9.35874997      11.59660004       3.34255000       0.94582769      -0.06607397       0.36740703
K        4.56640005       8.08354002       6.53241004      -0.13793066       0.47364745      -0.77184746
K        6.72701002       2.36242998       2.67675994       0.01836597      -0.18464988       0.24875278
K        8.34095999       6.99761999       8.22631996       0.26034521      -0.35821166      -0.28543754
K        1.82300004       6.16460003       1.86096000      -0.18383295       0.11329219      -0.46885156
K       10.25709995       1.28000000       7.11776006       0.21420270      -0.14281806       0.55364562
K        0.03611818       9.32151995      11.32410005       0.27963474       0.25442056       0.24242554
K       11.27320005       3.39759996      10.48629995       0.12282918       0.25687791      -0.23772159
K        1.11711997       6.78649003       7.45856001      -0.42641444      -0.90920026       0.37671636
Li       5.33807997       5.74388996       1.20114995       1.08043922       1.43363820       0.03701187
Li       6.11042996       8.88393996       3.13094998       0.02309612       0.62822431       0.16484382
Li       8.55263994      10.98199997      10.05339996       0.91577406      -0.22680705      -0.08449050
Li       2.98683001      11.54759998       7.51255002      -0.01372919      -0.17384726       0.25280329
Li       3.49917998       4.44576006       4.26527001      -0.10369286       0.57586138      -0.22192151
Li       2.52025004      11.11169995       2.02667005      -0.41692885      -0.99649813      -0.98337740
Li       9.80122003       4.05468000       6.44636004       0.47027758       0.46494234       0.01264215
Li       5.80965001       7.30451999      10.66650001      -0.13753189      -0.77253831      -0.63084255
Li       8.65564005       7.51180001       3.98021997       0.31512415      -0.12272499       0.17558865
Li      11.93969997      10.70019994       8.07574001      -0.10849366      -0.28692927       0.42883033
Li       4.85625006      11.38309996       3.96611996       0.17798265      -0.36921600       0.05800952
Li       2.87650998       2.47584002       2.10654002      -0.17459278      -0.23346716      -0.46470688
Li       7.39523997       3.46587997      11.15700002      -0.14520189      -2.48881233      -0.29346213
Li       2.86825999       1.24503997      11.20629999       0.37339363      -0.91888743      -0.82466500
Li       6.83405997      10.48169999       6.66114004      -0.37397417       1.45675407       0.89627416
Li      10.97159995       0.53875345       0.76404195       0.35239139      -0.66837538      -0.70694723
64
Lattice="12.44475589 0.0 0.0 0.0 12.44475589 0.0 0.0 0.0 12.44475589" Properties=species:S:1:pos:R:3:forces:R:3 energy=-547.05223839 stress="-0.0020616216508955814 -0.000707475789675435 0.00038604838066552325 -0.000707475789675435 -0.003708564638169011 0.0015737163351822144 0.00038604838066552325 0.0015737163351822144 -0.002724206915352837" free_energy=-547.05223839 pbc="T T T" config_type=wetmd 
Cl      10.28660001       6.86060003       2.93716001      -0.34568980      -0.22103684      -0.20414464
Cl       0.09018092       9.97688999       3.33414001      -0.00979632       0.04870208       1.67006584
Cl       1.38971000       2.56918999       2.75691004       0.05642700       0.39722553      -0.20728937
Cl      11.83500006       0.23443294       1.02769006      -0.05259614      -0.36267733       0.01375591
Cl      11.37410006       4.19070994       9.08372998      -0.54090899      -0.32978627       0.46019306
Cl      11.59830006      10.23940004       9.96657005      -0.10961590       0.06856134      -0.23107159
Cl       3.89325999      10.12770002       4.17940998      -0.39151163      -1.42890901       0.20186803
Cl       2.94437001       3.11554003      10.23050005      -0.31998528      -0.93953636      -0.55403839
Cl      11.65829996       3.31223998       5.43251004      -0.33419654       0.49142276      -0.16097506
Cl       3.29410000       2.78660995       6.11612001      -0.26350941       0.36821895      -0.07598440
Cl       9.47754005      11.03359997       6.53374997       0.30991813      -0.41820577       0.84399215
Cl       1.09572006       8.29064000       7.25352005      -0.13279932      -0.00691313       0.79130891
Cl       8.67249004      12.31459494       3.51148002      -0.37152417       0.20339191      -0.44654574
Cl       7.45041998      10.50500000       9.63803994      -0.00039330      -0.08920016       0.14819996
Cl       7.24198999       8.43380995       4.23012000      -0.05715175       0.90344087       0.08942328
Cl       0.80173299       0.62627400       7.03191006      -0.23440676      -0.38988026       0.51176450
Cl       2.09625006       6.11978997       4.45620998       0.12928233       1.08527459      -0.01476773
Cl       4.77797997      12.26861593       1.39264995      -0.13743733      -0.08552733       0.59237336
Cl       9.37623003       6.36972995       6.55061996      -0.20600268      -0.25688540       0.38471437
Cl       9.25371004       4.45052994       0.49212800      -0.12559384      -0.89884043      -0.26111673
Cl       5.39954002       8.70964000      12.41245677      -0.15315894      -0.05124995      -0.25387749
Cl       6.27612996       4.98586003       3.97505004       0.89665305      -0.58275587       0.71652747
Cl       1.14934003       6.00604005      10.66710004      -0.04523455      -0.21541030       0.48252329
Cl       4.59865999       4.67601000       1.04823000      -0.22408954       0.40692039      -0.25757835
Cl       3.07821995      11.42879999       9.63955994      -0.39258348       0.15980480      -0.27605841
Cl       1.92373998       8.94625002       0.65393795      -0.09616115       0.21729187       0.16883714
Cl       8.45866001       7.58585004      11.49869995       0.12910173      -0.08920111      -0.48090935
Cl       8.57478003       2.29385001       6.22222002       0.07597734      -0.24014625       0.44643218
Cl       8.38277002       0.87548995      12.25510005      -0.32596279      -0.01598522      -0.40091602
Cl       5.02973004       7.31353999       8.76423999      -0.21510236      -0.32514557      -0.18977372
Cl       5.48649999      12.43668186       5.79754994       0.83881345      -0.00345122       0.29639167
Cl       6.65428004       2.93059005       9.84101005      -0.01559889       0.22478415       0.33407893
K        8.78302000       3.33757999       3.40406000       0.18160673       0.02401900      -0.21258224
K        7.99224997      10.03480004       0.56952803      -0.06853572       0.50452180       0.17480861
K        4.64615005       5.34510006      10.85160002       0.11606741       0.24707569      -0.28134280
K        4.99499000       0.66828302      11.21000003       0.16763611       0.23126257      -0.56567856
K        5.07882995       7.20265000       2.75827001      -0.65606168       0.32004132      -0.31386666
K       11.15230004       8.51078997       5.60261006      -0.28004857       0.15213425      -0.59199107
K        2.20495003      12.34226387       3.94518997      -0.16409078       0.30008623      -0.01884177
K       11.17529994       0.41840999       4.89255995       0.24849720      -0.01365532      -0.22469369
K        5.35772004       9.88550005       7.66338995      -0.30890539       0.68153062      -0.55661274
K        4.29020004       2.81498001       2.95681003       0.57655932      -0.86964679       0.50850154
K        6.10404997       3.42557997       7.06521994      -0.72747641       0.31731503      -0.52301510
K        1.10007000       5.59403002       1.52039001      -0.03780108       0.30109944       0.11355208
K        9.44742001       2.19405004       9.26737003      -0.10531682      -0.77986433       0.15721914
K        2.19420000       8.58352994      10.25370006       0.26308827       0.38978821      -0.37250629
K       10.80680002       7.07784005       9.62783997       0.06900835       0.08875794      -0.03227354
K        0.98739195       4.55780996       7.36472004       0.93488734       0.60461035      -0.61755395
Li       9.06238001       6.55162997       0.91087001       0.22321792       0.10432617       0.49745871
Li       2.23345997       8.49075006       5.47968997       0.44646231      -0.04365954      -1.05863949
Li       9.59345001      10.62990005       8.87838006      -0.03022781      -0.04822555      -0.16017265
Li       2.02763005       1.73347995       8.50780995       0.83478822      -0.08485564      -0.17257808
Li       2.08114997       4.05162997       4.30809000      -0.39364865      -1.10541512       0.57325026
Li       0.99087299       3.79188999      10.91839998      -0.42654175       0.21660703      -0.16951952
Li       9.81292000       4.17307000       6.71004002       0.77772848      -0.02394640      -0.21956944
Li       6.54491005       8.18501003      10.05119999       0.48748386       0.44879563       0.88216891
Li       8.39012002       6.51180003       4.43024997      -0.12521908       0.15896168      -0.07101177
Li       0.67325196      11.56480002       8.75348001       0.30614098      -0.44092489       0.06208075
Li       6.03054004      10.63850000       4.35269002       0.32132907       0.05788009      -0.18399532
Li       0.09546186      10.36820003       1.32416994       0.20811165       0.40837377      -0.99107458
Li       7.77448006       3.00294001      11.80690005       0.08804475       0.27599029       0.47302817
Li       3.88244998      10.30059999       0.67499995      -0.16300993      -0.26614464       0.16603854
Li       7.85707006      12.43940527       6.12405006      -0.43385956       0.39819779      -0.53526360
Li       9.67556997       0.52794002       1.54306996       0.33492307      -0.17933215       0.12727307
64
Lattice="11.80746009 0.0 0.0 0.0 11.80746009 0.0 0.0 0.0 11.80746009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-542.53239413 stress="-0.02158906308514772 0.0014824933588245756 0.0005470323737231755 0.0014824933588245756 -0.021339120859801778 -0.00012891681685934636 0.0005470323737231755 -0.00012891681685934636 -0.02714905953894194" free_energy=-542.53239413 pbc="T T T" config_type=wetmd 
Cl       3.77204001       7.35304004       0.09933994       1.38446025       0.68546820      -1.58031928
Cl       3.26372000       1.29799999       3.24499998      -0.11517095       0.30944979      -0.26963078
Cl       2.89925004      11.14289999       0.52153988       0.27034222      -0.29621943      -0.99319638
Cl       0.55109006       7.10451001       1.55722994      -1.27230814      -0.10747022       0.75988804
Cl      11.26390000       4.74459995      11.48709996      -0.75174610      -0.25403557       0.46727388
Cl      11.74299998      11.40349996      10.98510001      -0.61640072      -0.10502458       0.11702686
Cl       5.05334000       7.15709004       4.55296995       0.43508076       0.03131632       0.49559297
Cl       9.51945995       3.86579998       2.59751996      -1.27128302      -0.23440490      -0.05631820
Cl      10.58089996       3.58666005       5.73617002      -0.51399335       0.72275955       0.05030680
Cl       3.39330994       3.98538995       5.25970996       0.37084071       0.81370832       0.78233332
Cl       6.04321004       0.26887606       6.26750998      -0.07272756      -0.00221411      -0.58458335
Cl       0.90822794       9.20800005       8.56659001      -0.13460181      -0.47982925      -0.10375206
Cl       9.88358005       0.37544004       3.48071998      -0.16378167      -0.14822316       0.42492795
Cl       5.12408995       9.81907000       9.21693003      -0.45832069      -0.69064888      -0.25276719
Cl       7.61274997       7.52839995       0.72729396      -0.49291418       0.12920683       0.12293816
Cl      11.44140002       1.21929996       7.91838005      -0.42622891      -0.23217657      -0.60541778
Cl       1.66727004       7.12937002       6.13227997      -0.04315031       0.62462235       0.03399148
Cl      10.06640004       8.28958994       4.44519004      -0.97551470      -0.56425397      -0.21372381
Cl      11.13680002       5.29780000       8.66339004      -0.82443728       0.49808228      -0.69260868
Cl       1.36047999       3.84870998       2.37501002      -0.33602149       0.01040521       0.53886944
Cl       4.19671999       4.54184001       1.97854999       0.92742775       0.61521423       0.64025562
Cl       7.05448995       6.37764997       7.49794001       0.36584106      -0.11571046      -0.50406776
Cl       2.11642004       2.23498996      10.67219996      -0.69013833       0.86661184      -0.11598735
Cl       5.64484003       4.10696003      11.09690001       0.70493801       0.70980608      -0.56211262
Cl       2.26715998       0.65629901       6.64858997       1.14892141      -0.42885304      -0.48769220
Cl       0.95694599      10.44680003       3.30347005      -1.16506679      -0.64079239       0.63137027
Cl       8.74721994       9.93923995       8.31844998       0.38766680       0.04341007      -0.00579974
Cl       8.13223004       3.05422000       8.76306000       0.00897884       0.12265004       0.12063283
Cl       8.67535997       0.30639296      11.73249996      -0.83340029       0.63153647       0.66352901
Cl       3.37127002       5.68689005       8.94483998       0.58275444       0.78831453      -0.46409593
Cl       4.76714004      10.10490003       3.12843000       0.56321370      -0.11270648       0.43554134
Cl       5.27146004       1.13269000       9.82769995       0.35982871      -0.45094422      -0.09398373
K        0.11733994       5.78667998       4.32149001      -0.18828840      -0.09390100      -0.23760677
K        5.54552004       9.88657006       0.37114696       0.42715747       0.21182202      -0.40408973
K        8.57368995       5.36029996      10.92230003      -0.12678668      -0.24380479      -0.76884623
K        2.53754999      11.58130000       9.30046002      -0.00605096      -0.03212545       0.28315716
K        2.11603004       5.12808004      11.77040002       0.52516565      -0.46123074      -0.67918032
K        1.12731997       2.37631994       4.76156999      -0.46362071      -0.61259687       0.23282359
K        0.38732602       1.37306002       1.47830003       0.15530835      -0.57358180      -0.24260702
K        8.92565003       1.22169995       6.36597995      -0.14033494       0.17506842       0.30447437
K        3.81533997       9.94804997       5.99762002      -0.37150239      -0.08728095       0.34643140
K        4.24907002       1.97644000       0.59045896      -0.10174500      -0.25308732       0.37548813
K        4.80596002       3.19036001       7.69487994       0.66262649      -0.35487317       0.44542587
K        3.05141998       7.72685006       2.55787995      -0.40336389       0.24315309       1.56312254
K       10.78350003       2.26751999      10.22759997      -0.51452222       0.07655533       0.47528852
K        1.12449999       8.98375005      11.41590004       0.34122923      -0.27190263      -0.06067749
K       11.37279997      10.62300004       6.41136995       0.23788007      -0.16024706      -0.15943707
K        1.57094998       3.69265999       8.12557996      -0.29342329      -0.75811227      -0.46813083
Li       8.94414996       7.64126002       2.38155998       0.60460819      -0.21948190       0.41896168
Li       7.13357997       7.07767000       5.35255002       0.10926852       0.12994181       0.66011752
Li       6.69091003      10.74799996       8.03106006       0.17017052       0.42673132       0.11357477
Li       9.77970995      10.48569995      10.36970003      -0.10445905       0.45329968      -0.34928638
Li      11.66859999       7.23383003       8.03096997       0.78335785       0.70193497      -0.25486907
Li      11.29350001       4.65229006       1.82135999       0.22880223       0.52560852      -0.65899273
Li       9.48226999       5.04130997       7.11296002      -0.40763672      -0.53188056       0.47216010
Li       4.51878004       7.78061001       9.65338996      -0.33454423      -0.85737945       0.02062653
Li       5.58314995       5.71025005       0.69183699      -0.21914036       0.60484838       0.16481521
Li       4.82012000       5.05810998       3.96133001      -0.23070258      -0.45209815       0.08563060
Li       4.91468996       0.34225505       4.00942002       0.76512999      -0.16054145       0.87018943
Li      10.43150004      10.03589995       3.19904003       0.75465234       0.50333924      -0.19873826
Li       3.63289004       6.32629000       6.52858001       0.20095496      -0.59289228       0.17704254
Li       2.77001998      11.01899994       2.57129996       0.74360147       0.45150692       0.30730520
Li       6.80933000       2.33101000      10.88819997       0.76639476      -0.63989156      -1.07859896
Li       8.81207997       1.68836005       2.12168994       0.07672495       0.11404481      -0.45399546
64
Lattice="14.08472601 0.0 0.0 0.0 14.08472601 0.0 0.0 0.0 14.08472601" Properties=species:S:1:pos:R:3:forces:R:3 energy=-543.44758651 stress="0.0032031158758498847 0.0014584479449171104 -0.00024257532219259308 0.0014584479449171104 0.003454660359003536 -0.0019190035231351694 -0.00024257532219259308 -0.0019190035231351694 0.006723634573210221" free_energy=-543.44758651 pbc="T T T" config_type=wetmd 
Cl       4.89789995       7.86482002       2.20442005      -0.37855024      -0.15665248      -0.28563903
Cl       7.19800993      12.86800005       2.95300999      -0.55603901      -0.24817739      -0.42355692
Cl      13.29619699       2.72153006       2.92587999       0.05386961      -0.26823348      -0.17013745
Cl      11.27589995      10.24409996      10.04940004       0.46596409       0.09466194      -0.16651998
Cl      13.94353198       9.46154005      12.59199999      -0.04586302       0.56688008      -0.65197902
Cl       8.86685996      12.73469995      11.22870006      -0.02817528       0.54055217      -0.19237115
Cl       3.97564998       5.46738007       8.62431999      -0.34416408      -0.42044660       0.21212501
Cl       0.45252704      12.72920001       1.28716001      -0.36197203       0.12255419       0.58679663
Cl      11.54949998       1.86936005      12.06679999      -0.50420717      -0.24129550       0.44218957
Cl       4.25732999       2.31941000       2.69710996       0.04596344      -0.27719646      -0.07221378
Cl       7.02558007       9.55474995       9.40768006       0.38340845       0.11780844      -0.23465414
Cl       3.81306998      11.75749997       0.37422596       0.36103748      -0.47311443       0.08344755
Cl       1.84473995      11.25500005       4.48216996       0.66356586      -0.60522489       0.24695079
Cl       3.58257006       9.44852999      11.94529993       0.25164307      -0.32264899       0.05469089
Cl       9.41128997      11.19140004       6.70115995       0.62349301       0.35220198       0.06975163
Cl      14.08119145       2.86907996       6.90860994       0.05560317      -0.09527542      -0.22758515
Cl       0.29457697       8.45826995       7.80372005      -0.07244212       0.85231511       0.13227896
Cl      11.60229995       0.10251300       8.07023997      -0.41052877       0.12569443      -0.36884152
Cl       7.47754005       1.46185005       4.74995004      -0.31201736       0.77912531       0.52305697
Cl       1.63355004       6.93148001       4.77484001       0.09016501       0.10550010      -0.12006691
Cl       4.42256002       9.11843007       5.96957999      -0.28131074       0.13058295      -0.07676393
Cl       4.80799996       5.45478001       4.62556994       0.22557300      -1.06130949       0.35456854
Cl       0.74671302      14.03679259      11.80560001       0.56012475       0.62622368       0.11478606
Cl       1.96112007       6.17307005       0.79396699      -0.58765263      -0.28199094      -0.28826432
Cl       0.78920804      11.63829995       9.33441005      -0.12846506      -0.24007656      -0.13129528
Cl      12.93960004      13.70983497       4.44775999      -0.20923902      -0.46345176       0.46189481
Cl      10.54259996      13.68414204       1.37735000       0.15890385      -0.05417273      -0.62025972
Cl       3.90981994       2.45832005       6.76794001       0.24232938      -0.03688939      -0.28626294
Cl       7.11771995       0.98684098      14.01802540       0.34167316      -0.50539515      -0.05065060
Cl       1.02585003       4.48522001      10.82940005      -1.48862532      -0.71171108      -0.19158960
Cl       7.31809997      10.36319998      13.63558001      -0.08840857       0.63416914       0.28551051
Cl       6.04021996      12.21220000       7.59864996      -0.03223916       0.76477611      -0.06700840
K        0.41575407       5.77159001       7.22900999      -0.04121666      -0.23776379       0.23252615
K        5.45737005      12.28520001      11.26939999       0.42931325      -0.82591259       0.02385673
K        2.52408994       6.30334997      11.93120000       0.76937045       1.46428076       0.47117005
K        2.60094001       2.46041994       9.97642003       0.54412123      -0.48985977      -0.68296832
K       13.23580000       3.86380007      13.78742505      -0.05791583      -0.11562338       0.09977876
K        1.80881995       3.70502999       4.14986001      -0.03935266      -0.09000593      -0.13397391
K       12.36110006      12.48259998      12.31729994      -0.62064242      -0.22048927       0.07986630
K        9.83843000      13.35520002       4.19584002      -0.29058973      -0.12830387       0.33785558
K        4.40122997       8.21142005       9.21079996       0.18785893       0.78776778      -0.20083000
K        2.67507004       0.21048595       0.21889298       0.00384302       0.44323610       0.14616281
K        4.78847994      13.60261006       5.15492000       0.28086364       0.20165569       0.26978148
K        4.92924001      10.69460007       2.97315002       0.19628886      -0.00770858       0.15958229
K        8.47197002       0.54294295       8.55165999       0.12779550      -0.43911149      -0.18868120
K        1.22387001       9.33456005       1.01853006       0.33122765       0.14358346       0.06933348
K       12.67049994      11.39840002       7.32701997      -0.20090695       0.00371717      -0.02054027
K       13.08566006       2.03505995       9.66411996       0.09667928      -0.06277047      -0.00195866
Li       9.50065996      11.31269996       9.22044997      -0.33563409      -0.38632668       0.12469164
Li      12.72699997       1.54324005       5.53840005       0.24158088       0.43465715       0.23047858
Li       7.45308995      10.35359998       7.15021003      -0.76835764      -0.04385333       0.65299278
Li       3.74644993       4.70309002       6.56231005       0.12116078       0.32241791       0.20140673
Li      13.49010296       9.57912005       9.83305005       0.24145018       0.04616114       0.21700282
Li      12.83900002      14.06143537       2.23384994      -0.35481706       0.32305393      -0.60205834
Li       1.88831006       9.32821995       5.67693995       0.21550212      -0.52278888       0.48977203
Li       1.00320996      11.82759993      11.47970002       0.44851239      -0.64824893       0.17354144
Li       5.23290994       9.63644995      13.85206605      -0.33148840       0.12219228      -0.28714005
Li       3.82530003       5.69647997       1.68416999       0.73710049       0.38157055       0.59351145
Li       3.92023996       7.46007006       4.54591997       0.02986555       0.27820668      -0.24537363
Li       0.77026395      12.84469997       3.78660000      -0.40457036       0.41431349      -0.87768286
Li       5.79675998       3.44375002       5.50233005       0.05393484      -0.55878395      -0.52443648
Li       6.66938002       1.24119000       2.52796001      -0.08430637      -0.17774169      -0.22506327
Li       9.39506000       0.30655096      12.77344605       0.07705281       0.50893505       0.17492762
Li       7.90578995      12.72390007       0.55575103      -0.29714144      -0.27023939       0.30008020
64
Lattice="11.54184603 0.0 0.0 0.0 11.54184603 0.0 0.0 0.0 11.54184603" Properties=species:S:1:pos:R:3:forces:R:3 energy=-547.02350147 stress="-0.02622382181498875 -0.001021836867886969 -0.0008013753186330355 -0.001021836867886969 -0.018992688836519066 0.0014801545280419062 -0.0008013753186330355 0.0014801545280419062 -0.02640400947111361" free_energy=-547.02350147 pbc="T T T" config_type=wetmd 
Cl       8.47051002       6.76137003       3.50987999      -0.05619372       0.38062173      -0.62069969
Cl       4.10956996       8.34363997       9.89862995      -0.62801845      -0.28824108      -0.52108624
Cl       8.54190995       3.24271996       2.86813997      -0.09261260       0.61895588      -0.21983707
Cl       3.05377002       1.03425005       2.82952995       0.53778145      -0.32179194       0.60859317
Cl       0.26635395       7.00542005       5.20789999       0.50161759      -0.09025154       0.11595364
Cl       2.04331002      10.76410000       8.61385005      -0.37626551       0.41458616      -0.44236031
Cl       8.61917003       9.05805000       6.28881996      -0.73038901      -0.41641395       0.03661815
Cl       1.94335002       4.49828999       2.37243996      -0.32074687       0.50404670       0.61747755
Cl       5.64055994       6.29257002       7.28500996       0.10976210       0.23392508      -0.31068696
Cl      10.07810000       5.77586004      10.49740003       0.47088308      -0.76403693       0.42193525
Cl       9.21374004      11.52539994       0.06345395      -0.38210535       0.73380582      -0.16905631
Cl       6.05887995      10.86460005       8.75790995       0.05485024       0.41195205      -0.51816327
Cl       6.57180998      10.00519997       3.07554001      -0.59772006      -0.00592805      -0.10172298
Cl       7.21211997       7.64845000      10.90859999      -0.46526923      -0.24520590       0.04660070
Cl       6.80926003       1.17760001       5.21602003       0.39039849      -0.53554389       1.98262446
Cl      10.62710002       8.76754000       9.96837998       0.84987564       0.17343490      -0.93316290
Cl       1.97653998       5.55002005       8.10800995       0.85790177       0.00368538       1.25997183
Cl       8.71528995       3.10874002       8.78048995      -0.32191808      -0.36111571       0.16154550
Cl       3.69147998       0.18165400      11.37320004      -0.15241211      -0.59667308       0.22709746
Cl       1.37109998       2.42285001       5.74784002      -0.03976915       0.13177434       0.23083619
Cl       4.20186999       8.97196999       5.52396998      -0.93440654       0.07792209      -0.10581003
Cl       5.03235994       4.38657000       3.72037995       0.36575444       0.01110887      -0.06605724
Cl       1.07517997       8.99933005       1.46104997      -0.14269903      -0.00838981      -0.09222294
Cl       3.97108997       8.01671995       1.53713001       0.55920739      -0.65745163       1.58274078
Cl       5.08411000       3.12115004       8.11810999      -1.42529305      -0.11736974      -0.03698635
Cl       9.86841997      10.17149996       3.26760995      -0.52504841       0.38132046       0.63730005
Cl      10.90719997      11.19890004       6.52154997       0.87472471       0.34789785       0.00076927
Cl       8.42600997       4.84492002       6.08798999       0.67368199      -0.37989490      -0.36164892
Cl       6.68351000       2.28931004       0.00025392       0.20691381       0.07161925       1.59560267
Cl       0.67443704       2.54420005       9.57926995       0.16873163      -0.35542232      -0.19735132
Cl      11.43859995       2.29900000       1.95403003      -0.18916841      -0.76085981      -0.17016778
Cl       4.07953000       4.99185002      11.53649996       0.74744333       0.41070687      -0.68941254
K        1.11982995       8.19672000       7.73434003      -0.06310344       0.70229292      -0.10227788
K        6.28115998       1.59233004       2.74007995      -1.29047657      -0.04962359      -1.00025242
K        3.83181001       0.33185393       6.26076000       0.58323023       0.29846888      -0.02125075
K        2.96193997       5.29763000       5.56166000       0.43533773       0.10747972      -0.33533761
K        2.55184999       2.66994997       0.29805398      -0.08641364      -0.14893297      -0.14883086
K        9.66196001       1.76641998       4.95937000       0.26864970       0.06252063       0.41299534
K        9.34985003       8.84256997       0.85648404      -0.15427251      -0.93503216       0.73176756
K        0.87552104      10.90170005       3.74170005       0.43078936      -0.00992327       0.39844213
K        6.42520003      10.90859999       0.13095402      -0.01579355      -0.77840592       0.10148374
K        1.39436996       6.81690004      10.88729998      -0.01937681      -0.15455878       0.18365325
K       11.22420000       4.63600995       7.04226001      -0.79359618      -0.54085894       0.20118970
K        0.39088805      11.30209996      11.42349998       0.74106874       0.17930110      -0.39362075
K        7.73239996       4.89301004       0.56405394      -0.17928825       0.63215327       0.10824961
K       10.94000005       5.21742998       3.14367003      -0.82892790      -0.03662460      -0.27092812
K        9.08053998      10.75399997       8.66628997      -0.42559260       0.51750900       0.08593339
K        8.41003998       6.86565996       8.17839005       0.08304230       0.10612213       0.71072754
Li       7.01419001       5.20177000       4.44788998       0.15364540       0.19994022      -0.37210652
Li       6.85785005       3.87073997       7.25629997       0.52789896       0.09385211      -0.15862013
Li       3.71597997       5.55347995       2.31150005       0.96315270       0.63250355      -0.39061103
Li      10.11730003       8.24528001       4.64313000      -0.86951759       0.27738131      -0.31706114
Li       6.28875994       8.73569005       6.06255003       0.27383275      -0.36354256       0.27196336
Li       8.02009005      10.62259997       4.79160996      -0.07270702       0.16803937      -0.51252647
Li       1.61184996       2.56550999       3.54599004       0.18066367      -0.00279898      -0.34451923
Li      10.44489998       3.59387001      10.23479995      -0.40053628       0.09880360      -0.20068174
Li       3.26409996       9.40861003       0.08715398      -0.60047317       0.45964375       0.22509885
Li       3.94367001      10.67639998       9.51852002       0.85312329      -0.31585207      -0.41082769
Li       1.12052004       1.08865000       7.83494003      -0.67161524       0.07413466      -0.21555033
Li       5.08325994       7.00567005      11.51899998       0.45490371       0.41440729      -0.40370026
Li       4.64286003       5.37349005       9.07735004      -0.53984171      -0.10119441      -0.11168783
Li       6.32368995       2.35194995       9.62275005       0.43256186      -0.56030404      -1.51435868
Li       9.30303999       1.83104000       1.28108997      -0.03286024      -0.07850716       0.06367394
Li       4.15862004       9.45851997       3.33480000       0.67300023       0.04883281      -0.23966278
64
Lattice="11.91090049 0.0 0.0 0.0 11.91090049 0.0 0.0 0.0 11.91090049" Properties=species:S:1:pos:R:3:forces:R:3 energy=-548.58957043 stress="-0.01072523769659041 -0.0032203249648117696 0.0019259129236695951 -0.0032203249648117696 -0.011537046253221673 0.0012454516275512988 0.0019259129236695951 0.0012454516275512988 -0.011248817481184406" free_energy=-548.58957043 pbc="T T T" config_type=wetmd 
Cl      10.82690004       6.28241995       4.30563997      -0.03070556       0.18841968       0.21474013
Cl       4.45170001      10.45759995       8.64244005      -0.26033871       0.24303910       0.60499553
Cl       8.27698004       3.63711996       4.52724001      -0.22532310       0.47372221       0.41149746
Cl       0.82722502       3.30974004      10.98420003      -0.47891604      -0.09919362       0.59201694
Cl       0.11479952       2.12837000       5.46178999      -0.29699140       0.21535332      -0.72283501
Cl       8.19610002       1.17289996       2.28081000       0.39580650       0.01049401       0.05809182
Cl       7.48186001       7.58349001       5.41137996      -0.59751187      -0.10794574      -0.11351883
Cl       4.42459997       1.43262000       0.73527597      -0.80047660       0.13562910      -0.04506786
Cl       2.64157998       6.81007999      11.18179997      -0.11747148      -0.14039221       0.30805187
Cl       2.73041004      10.16440003      11.38080003       0.70630965       0.27513244      -0.24116118
Cl       6.07850998      10.73720000       0.72539945       0.12452526      -0.71109430      -0.75521103
Cl      11.63089999       0.91542798       8.38872001      -0.22472430      -0.59353390       0.28877433
Cl       5.54059001      11.42759998       4.79424000       0.06069960       0.73596673       0.06361651
Cl       5.57146997       5.50025005       9.36520005       0.77434034       0.42136837       0.55684897
Cl       9.82281005      11.90350001      11.01219994      -0.04111497      -0.36528794       0.16312918
Cl       2.14845000       4.01611004       7.70780003      -0.74753913      -0.67867420       0.51150060
Cl       4.14670997       6.85312002       3.10269000      -0.78612310      -0.03309360       0.59896297
Cl       9.01205995       3.63138998      10.64790005      -0.03138727      -0.82112252      -0.91060619
Cl      11.49980005       8.76236996       9.43253999       0.38222794       0.08188768       0.75478408
Cl      10.89410003       9.80074999       6.55272997      -1.29882372       0.26238904      -0.89882380
Cl       2.50411997       7.53668994       7.63046005       0.07177492      -0.28893066      -0.19206699
Cl       8.86180001       9.63976000       3.15211000       0.52505507      -0.08393723      -0.26467172
Cl       7.86510003      11.32219995       7.76703997       0.33852948       0.13014250      -0.02567417
Cl       1.83148998       4.16510004       2.54861004       0.05551005       0.90461286       0.19349576
Cl       4.91692001       4.65984002       5.99610000       0.68953531      -0.21102628      -0.54354991
Cl       0.78761901       8.53876996       2.10408999       0.16098555      -0.15151286      -0.50559894
Cl       6.62534001       4.60126995       1.16498004      -0.33770268       0.30826561      -0.15559732
Cl       5.13359001       1.88664995       9.05254999      -0.10377236      -0.46025952      -0.38416574
Cl       2.19900998       9.95862005       5.04876999       0.13862130       0.10455132       0.09436313
Cl      10.29179997       4.50153998       7.76306006      -0.01267442      -0.11952143      -0.78582721
Cl       1.09871994       0.38202403       1.47105005      -0.17789522       0.53945934      -0.17300434
Cl       8.99193005       6.86180998      10.84950002      -0.18414930       0.18976051       0.05304823
K        2.04792998       5.54296004       5.15982996      -0.05104709       0.21298974      -0.20827757
K        3.59382002      10.72599994       2.28793998      -0.48844681       0.00897043       0.56992509
K        7.07471995       1.37352002      11.40110001       0.40860265       0.13937344      -0.16674352
K        5.74997995       2.45231005       3.28159995      -0.32433786       0.25943031       0.00331257
K        3.68601004       3.63645998      10.91160000       0.52441729       0.76125093       0.10579320
K        9.09389999       0.95789296       5.28495004       0.05966722      -0.51699726       0.09531943
K       10.29680005       8.85965998       0.41879703      -0.29401169       0.68841070       0.08447391
K       11.72599996      11.10410004       3.72827003      -0.22755958      -0.13148509       0.07765047
K        5.67383999       7.97765006       1.23951000       0.62015776      -0.65188250      -0.65566502
K        1.70155003       0.69982996      10.34859996       0.41334144      -0.48697034       0.09316949
K       11.89220002       5.74505002       9.74911005       0.19227187       0.62727905      -0.01420165
K        7.51007003       3.46649000       8.05370997      -0.31613536      -0.12617852      -0.24322230
K        9.45437005       4.06537996       1.30052002       0.42973248       0.24937525       1.70798688
K        2.62894001       0.67698998       6.33797001      -0.00300126       0.29074137       0.11837306
K        8.82254002       7.26124000       7.81454004       0.50501705       0.20362193       0.78628513
K        4.86435995       9.09723004       6.30593004      -0.02618862      -1.42965253      -0.92465343
Li       5.77721005      11.62450003       7.22643004       0.21115611       0.62118460       0.12002043
Li       3.98584004       4.99193999       7.98784996       0.34849209       0.42551305      -0.30719236
Li       4.56379004      11.21400002      10.99469997       0.51955033       0.51245261      -0.25794716
Li       1.39208995       8.70204994      11.72755052      -0.89943098      -0.98710941       0.16033650
Li       0.91208900       8.96122995       6.71754003       0.62946172      -0.25320342       0.16989562
Li       9.49180994       8.43868004       4.87775995       0.54202810      -0.33570844       0.03087907
Li      10.04899996      11.13180003       8.66164995       0.12907115      -0.25433587       0.22300466
Li       3.28393996       8.50538001       9.47457999      -0.13435503       0.01130256       0.28985168
Li       1.94421998       6.55021999       1.74660004       0.53157974      -0.24697382       0.28019040
Li      10.83619995       1.99034006      10.91840005      -0.44594558      -0.05559320      -0.46045524
Li       1.55227000       2.63954000       1.21677996      -0.10440091      -1.00384000      -0.24376595
Li       7.40487998       5.39245997      11.02699995      -0.43793608      -0.41658236       0.00770367
Li       0.24909945       2.81132996       7.67074998      -0.26104769       0.81292654      -0.50152288
Li       6.82301999       5.48891004       4.87039997      -0.28666639      -0.03098913      -0.10803588
Li       7.45908995      10.97019996       2.29726002       0.18764925       0.66789255       0.44449897
Li      10.23569999       4.38388994       5.41787998       0.37803491       0.08011903      -0.02752457
64
Lattice="12.57844661 0.0 0.0 0.0 12.57844661 0.0 0.0 0.0 12.57844661" Properties=species:S:1:pos:R:3:forces:R:3 energy=-548.55218028 stress="-0.0016671870849458846 0.0016328986804798596 0.0005587876881844462 0.0016328986804798596 0.0006106456849379587 -0.001933371296139188 0.0005587876881844462 -0.001933371296139188 0.0015900743506842214" free_energy=-548.55218028 pbc="T T T" config_type=wetmd 
Cl       7.99251994       4.07477998       5.68027001       0.07243559      -0.51374022      -1.01132224
Cl       6.25833001       9.21915999       8.12257001       0.13001371      -0.00985963      -0.02526156
Cl       9.71469997       1.18316001       3.45385000      -0.04999251       0.26024154      -0.51439066
Cl       9.71721000       4.37078001       0.07412869      -0.04399969       0.29736286       0.19948311
Cl       4.53989999       2.10588995       3.53683994      -0.22715521       0.39988586       0.00526982
Cl       7.30845005       1.20723000       0.22294102       0.47763478      -0.01722595       0.67078079
Cl      10.20520002       5.53061996       8.81812000      -0.74464497      -0.06158437      -0.13344502
Cl       2.09754000       1.01127994      11.86629999       0.31099636      -0.24305928       0.95542416
Cl       1.51566999       4.80884001      11.21310000      -0.44065367      -0.30484504      -0.30941971
Cl       2.51366004      11.02839998       9.42236995       0.74221061       0.03910157       0.45233922
Cl       5.15865995      10.24579998       1.41278005      -0.39384539      -0.65056316      -0.07228481
Cl       0.48290895       1.53219002       5.59715000       0.05497636      -0.47863790      -0.83298799
Cl       5.84609004      11.44380003       5.12931003       0.18229342       0.42374656      -0.50840496
Cl       4.44741998       4.91064996      12.27039995       0.98303639       0.33499135       0.10563802
Cl      11.84640001      11.14199996      10.78769996      -0.62911583       0.05984450       0.24414842
Cl       2.91785006       3.03466999       8.25239996       0.08997056      -0.25445071      -0.00003403
Cl       5.32090996       7.75300997       5.08405995      -0.02142221      -0.62518018      -0.34254494
Cl      11.86210005       2.28394000       9.00827995       0.29618457      -0.19762547       0.26518716
Cl       0.12710696       8.46912999       7.89803996      -0.46591141      -0.25048216      -0.45774633
Cl      10.12300000       6.78232005       4.82434999       0.55928481       0.36991691      -0.40548980
Cl       3.28104000       7.16518997       8.73561998      -0.97565698       0.12383213       0.29763893
Cl       8.60681002      10.37609998       2.11121000       0.26601151       0.33645875       0.38617829
Cl      10.01090000      10.49460001       7.71612002      -0.51535292       0.02823999      -0.13311416
Cl       2.95378995       6.19506998       2.86587994      -0.05939111       0.14598182      -0.08646696
Cl       6.06167996       5.26554995       8.61842005       0.15974973      -0.14906074       0.35144017
Cl      12.17679995       7.43825006      10.96509995      -0.44887518       0.14866785       0.48911899
Cl       7.24746006       7.04839998       1.81235001      -0.28892471       0.03417544       0.37492218
Cl       7.52702006       0.70974300       8.70671999       0.06836348      -0.50261938       0.35822861
Cl       2.48953005      10.41190000       6.18538999       0.00639241      -0.19174787      -0.93124991
Cl       0.63016206       5.25717006       6.92841996      -0.11873409       0.30367457      -0.92542986
Cl       1.04066004      10.04009998       1.82211000      -0.11443070      -0.03481605       0.34813627
Cl       7.96463994       9.75876001      11.12590005       0.20827910      -0.15740404      -0.05750357
K        0.94901902       7.78962004       4.54889006       0.10327535       0.31115166       0.49420551
K        9.95939994       4.27881999       3.23150998      -0.13836421      -0.35104408       0.12963005
K        9.98038003       1.01863003      11.07699995      -0.21385693       0.16401601      -0.35773031
K        3.49160999       4.78589001       5.36518005       0.27565441      -0.29066940       0.66303495
K        2.72257005       3.44371001       1.47160995      -0.36988308      -0.10256315      -0.37047625
K       11.78100001      11.86789997       3.17073004       0.26449777      -0.01251920       0.22237326
K        9.97403006       8.00059996       1.86406000       0.67995225      -0.51554963      -0.50106068
K        2.03908003       7.65355005       0.45331200       0.00272831      -0.22963135      -0.76627764
K        3.39068997      12.04040003       2.76478005       0.06008934      -0.24508019       0.08076679
K        0.23462400      12.01200004       7.98987004      -0.54403383       0.08018219      -0.27896397
K        7.06937995       6.36358004      11.65650006       0.12756965      -0.17844872      -1.09300295
K        8.04651003       0.71733799       5.72607002      -0.19308925       0.34685354       0.70142119
K        6.41966997       3.93020998       1.77992994       0.13936607      -0.30660928       0.03591309
K        3.34031995       0.65807099       6.11903994       0.38417131       0.24841154       0.43954205
K        5.51536997       0.07964584      10.89210006      -0.42637396      -0.15879890      -0.35888526
K        8.34435997       9.16184995       5.04439004      -0.42661057       0.13710532       0.48590572
Li       5.30493998       9.64947997       6.13942998      -0.62084363       0.22341530       0.48887733
Li       1.69927002       2.26507006      10.16870001      -0.36483553       0.96142173      -0.76831324
Li       1.34020996      11.53510006      11.22479997       0.22523777       0.00978692       0.15698991
Li       0.80608396       6.29930996       8.94464005       0.06293856       0.35919563       0.51288333
Li       2.18267004       9.22793006       8.06411998       0.34135855      -0.07260291       0.28733781
Li      10.97509994       6.19468999       6.86973006       0.40120354       0.18872025       0.07317579
Li       7.89943994      10.76749998       9.08217002       0.12111054       0.15206889      -0.63656544
Li       5.17214001       7.09868005       7.78613996       0.83317218       0.46401440      -0.33600610
Li       5.23053998       7.91765001       2.65452003      -0.07979190       0.16937652       0.29967109
Li      11.09090002       9.27432994       9.55392994       0.23321960      -0.10334158      -0.06054847
Li      11.03679999       5.32956997      10.93890006       0.32473284       0.01995206       0.08838743
Li       7.02512998       9.65542002       0.46510894       0.15387193       0.08530628       0.45339785
Li       0.09744762       3.11906005       7.02179002       0.08140917      -0.18339041       0.72380918
Li       3.65082998       5.33054995      10.10469999      -0.08105243      -0.54339506      -0.13069600
Li       8.52534998      12.56654564       1.91714004      -0.56025974       0.55576595      -0.26333604
Li       8.05833000       4.84793005       7.62156004       0.13370910       0.15368015       0.82770236
64
Lattice="12.44914678 0.0 0.0 0.0 12.44914678 0.0 0.0 0.0 12.44914678" Properties=species:S:1:pos:R:3:forces:R:3 energy=-545.91383358 stress="-0.0033714906957653694 -0.0019140160829888952 0.003983782085656059 -0.0019140160829888952 -0.0032495882678654554 0.000321632536207334 0.003983782085656059 0.000321632536207334 -0.004111315721678018" free_energy=-545.91383358 pbc="T T T" config_type=wetmd 
Cl       9.22602994       4.24443999       5.99507997       0.37513028       0.26140962       0.14412482
Cl       5.38416996      11.05389994       7.61895999       0.19150073       1.51095484      -1.22569856
Cl       8.65760003       1.64433995       2.20000002       0.52873084      -0.23148935       0.05050590
Cl       9.60992004       4.65439998      11.43220001       0.49268480       0.36227644       0.50130156
Cl       1.57734001       2.09486997       2.47072004      -0.31748350       0.37671722       0.57775386
Cl       5.68771999      11.48939998       1.05795003      -0.13274625       0.64864344       0.74541571
Cl       8.42825998       7.15464006       8.36133000       1.30935945      -0.66983380      -0.61228533
Cl       0.21760797       1.77401997      10.76730004       0.33008397      -0.12436621      -0.02847457
Cl       0.52369004       6.34715005       0.20105322       0.29976144      -0.45122126      -0.80230301
Cl       0.35078596       8.14470004       9.42987999      -0.34374439       0.09935494       0.42168161
Cl       2.94656004       8.36461994       1.55888004      -0.13226870       0.81400628      -0.08175921
Cl       0.96238104       1.98148998       7.15360006       0.03054360      -0.40029985       0.05049324
Cl       5.79659998       0.93839602       4.29927997       0.38368426      -0.08979469       0.69675170
Cl       4.13002997       2.89521005      11.16740006      -0.50881545      -0.49687081       0.46706312
Cl      11.75479998      10.16809995       0.95436404       0.73733382       0.09140646       0.42070425
Cl       5.71100998       3.21919001       7.73126997       0.11566194       0.02263874       0.13552284
Cl       6.16004996       8.81125997       4.89301004      -0.07528061      -0.02719149      -0.84188613
Cl      11.69490003       4.58097006       8.90669999       0.06498581      -0.01686701       0.24594878
Cl       0.07242901       7.84258003       5.85877999       1.19409649      -0.25971092       0.13999948
Cl      10.14960002       6.43609000       2.62465996       0.79267728       0.17842802       0.01264343
Cl       4.00458004       8.09702005       7.33617003      -0.42628157      -0.31285012       0.50942100
Cl       9.09773999      10.75339995       3.99905996       0.46165657       0.45289193       0.35773817
Cl      10.20480003      10.53419998       8.07188996       0.83386415      -0.00459280       0.01341733
Cl       5.23501001       5.36004999       2.49937001       0.36449452      -0.76859150       0.73638492
Cl       6.16564000       5.87374996      10.54260004       0.27373095      -0.10578436       0.05298083
Cl       9.55952005       8.37149996      11.47159994       1.27840538       0.04433600       0.14620537
Cl       6.20710002       8.24630001       0.77998498       0.49626267      -1.26704080      -0.75432680
Cl       9.62747994       1.26081000       8.98573003      -0.01459185      -0.00065652      -0.46384858
Cl       2.50288005      10.72180003       4.59344995      -0.65121340       0.64230929      -0.06219188
Cl       2.65547994       5.32094000       9.01847004      -0.33123416      -0.30666789       0.17165199
Cl       3.41717003       9.55788000      10.63919994      -0.93371145       0.16608384       1.06832005
Cl       6.96792004       9.33994000       9.83628002      -0.51136003       0.63606338       0.86017964
K        0.78421794       7.19575996       2.86740999      -0.30299139       0.18288672       0.96657454
K       12.35458568       4.60381997       6.23023003       0.32651103       0.37041915      -0.70728271
K       11.00909994      11.72300000      11.12809997      -0.58338615       0.06670087      -0.48433807
K        6.11086998       6.21116006       6.70216997      -0.01383789      -0.20359226      -0.03894941
K       11.72379998       3.09633996       1.03476001      -0.44378942       0.39144873      -0.48067616
K       11.93109994      12.17989999       3.50681995      -0.48628629      -0.31682408       0.30158417
K        8.68117996       8.86379002       1.81465996       0.48595376       0.29746828       0.25300257
K        4.00198999       5.98047998       0.11414498      -0.14151621       0.13070326      -0.48725603
K        1.86510005      12.01429995       1.52740997       0.95401976      -1.23940193      -0.61148423
K        0.75539605      11.26150004       7.85176999       0.14031811      -0.43763968      -0.09222786
K        8.26142996       4.44575004       2.92347995      -0.91946070      -0.14513087      -0.02407521
K        8.33688000       1.47381004       5.98652006      -0.47038781      -0.25533001       0.29290157
K        4.64570998       2.05455004       2.09436005       0.01475296       0.59894992      -0.85688482
K        3.68087994       0.84111801       6.24520001       0.41280269      -0.03657390       0.18261254
K        7.83420997       2.72480999      10.60990000      -1.17089905      -0.20793470       0.18090422
K        9.91361997       7.34756996       5.56742003      -1.28687167       0.25869495      -0.05991365
Li       3.95404995       9.41457998       5.65127997       0.78905720       0.28725758      -0.22265320
Li      11.53609996       2.22880000       8.47131000       0.22771376       0.14199512       0.67923618
Li       1.02099001       8.79604002      12.36720002       0.49345777      -0.18773530      -0.10947051
Li       0.69700905       5.85084004      10.27790005       0.25305148       0.21744871      -0.29162915
Li       2.06276001       7.42381003       7.99391995      -0.31097241      -0.12084317       0.08182676
Li       7.61005997       7.49226005      11.13779997      -0.68260265      -0.08690367      -0.33866910
Li       8.09831999      10.19199994       8.10358001      -1.17451532      -0.16679309      -0.07191035
Li       4.80782999       9.77860997       9.11420000       0.44048423      -0.79468414      -0.13054715
Li       5.29300000       9.07251005       2.48389995      -0.56686178       0.23856038       0.90162468
Li      10.37549999       8.56394995       9.26849995      -0.18924082      -0.39781943      -0.11031846
Li      10.92309999       6.47779999      11.92798379      -1.05796595       0.12926985       0.08911016
Li       5.40479994       9.87713998      12.10939998      -0.37021867       0.09182562      -1.02873704
Li       1.98776996       2.96870994       9.50132004       0.23371344       0.04937807       0.25756686
Li       4.95287997       4.30765003       9.78947994      -0.22844756      -0.10251076      -0.97662455
Li       7.42471994      12.17589996       3.43718005      -0.01575122      -0.12334175      -0.72291047
Li       9.52369999       4.77189005       8.41799006      -0.53175082       0.59636050       0.00617835
64
Lattice="11.68667316 0.0 0.0 0.0 11.68667316 0.0 0.0 0.0 11.68667316" Properties=species:S:1:pos:R:3:forces:R:3 energy=-541.77076823 stress="-0.029089703803522136 -0.0009529675006976609 0.0023332611220686717 -0.0009529675006976609 -0.028413186179978994 -0.0018189721109179726 0.0023332611220686717 -0.0018189721109179726 -0.031317698691013134" free_energy=-541.77076823 pbc="T T T" config_type=wetmd 
Cl      10.99980005       1.54144005       2.40466997      -0.33476159      -0.08550289       0.57598742
Cl       7.28135004      10.13949998       7.09245005       0.69388163       0.25843996      -0.74612094
Cl       5.95606997       3.14306998       1.97453998      -0.28584249      -1.23102823      -0.07890174
Cl       7.32286999       5.74986002       1.31792997       0.99955728       0.38800117      -0.30321483
Cl       0.21802681       9.81647998       6.04042005      -0.69249208       1.44377439      -0.12245080
Cl       4.83639997       9.84794997       1.43065997       0.40071149       0.40572722      -0.11841745
Cl       6.00460998       7.53372001       8.62636002       1.04891001      -0.39490483      -0.85719791
Cl      11.68249997       6.37844001      11.13459998      -0.11724890      -0.24864013      -0.40799720
Cl       9.78368005       8.59591998       1.33337999       0.23802469       0.01092914       0.28779253
Cl       2.21342995       8.72496002       9.94261997      -1.35696170       1.29596054       0.29177372
Cl       2.07495000       8.12311996       1.63176004      -1.04717795       1.93259127       0.33729976
Cl       2.84386006       2.02048006       6.17544998      -0.27273049       0.19279185       0.15023803
Cl       7.05341995       2.00338000       5.85350995       0.21412222       0.15502798      -0.22401897
Cl       2.74435995       4.83655996       0.23592682      -0.32298604      -1.34753773       0.04258314
Cl       1.79485002       0.18092688      11.51489998      -0.20125819       0.30916407      -0.02810033
Cl       5.60326999       4.30417005      10.35579996       0.48586362      -0.77795414      -0.80650288
Cl       4.69232000       6.22902005       2.61275002      -0.10429029      -0.31832969       0.77356527
Cl       8.65538002       5.87519994       9.85589001       0.52997997      -0.43524974      -0.37833316
Cl      11.36800002       6.65438001       7.01787002       0.56328639      -0.43326768      -0.25018806
Cl       0.04802685       5.57987000       3.00774999      -0.07673531      -1.26623189      -0.37598374
Cl       3.53712005       9.43975995       7.31263001       0.82461104       0.14062355      -0.27696752
Cl       5.91901001       6.09362001       6.11797001      -0.15768366      -0.41416282      -0.78001928
Cl      10.53949997       9.42745996       9.39258997       0.10806227       1.09613623      -0.87910857
Cl       2.71189005       7.37997002       4.94117006       0.07037919      -0.33467327       0.17237517
Cl       4.49425999       7.34378995      11.20999994      -0.44569036      -0.47344054       1.14918631
Cl       7.35918001       8.46473999      11.01439997       0.42490112       1.04374618       0.56809254
Cl       6.77586999       8.62148995       3.29464998       0.80642045       0.29388559       0.92911880
Cl       9.96192998       2.32042998       9.20160005       0.26129421      -0.38640787      -0.12986589
Cl       4.02792001      10.35649999       4.27376998      -0.18327968       0.77321200       0.49568296
Cl       2.68277995       6.16302997       8.37961999      -0.46478462      -0.66068154      -0.16144494
Cl       4.80795004      10.68330005       9.89627004       0.60021321       0.31618803      -0.25075797
Cl       7.66188004      11.62780002       0.68858299       0.20266122       0.85603111      -0.21522307
K       11.26290002       8.04826997       3.86525005       0.26886803       0.51699863       0.02004103
K        1.33801001       4.71862004       5.46784003       0.04273313       0.02953396       0.21124592
K        0.75606394      11.68589997       8.58071001       0.42288306      -0.26081688       0.20520611
K        7.36718001       4.16764003       7.86370000       0.10428777      -0.06052738       0.25961404
K       11.44919996       3.51815001       0.42891797       0.46361847       0.49646665      -0.09053271
K        1.38754001      11.61989995       3.62124002       0.38532669      -0.11354888       0.10781163
K       10.61630000      11.25759999       0.28789699      -0.10990647      -0.09567963      -0.22473981
K        4.89926001       3.84742004       4.44140000      -0.30468740      -0.09481432       0.42912533
K        3.05368002       3.56759001       9.34714996      -0.25910183      -0.49641826      -0.21198615
K        5.11450995       0.20672685       7.18080001      -0.56969132       0.36567104      -0.09877206
K        8.10228005       3.09533003      11.53930000      -0.15384433      -0.15445587       0.15019005
K        8.99001002       7.81385997       7.39831997      -0.89371962       0.26583535       0.43248438
K        4.56827999       0.65918399       0.43451600       0.26473021       1.34365900      -0.01955547
K        6.33932004       0.23992682       3.35037005       0.29638481       0.13467152       0.13501060
K        9.82694995       0.59718503       6.39375002      -0.50070463      -0.03636095       0.04414834
K        7.94656004       6.21021000       4.25752994       0.55651768      -0.40556094      -0.77096777
Li       4.07542002       8.36083998       2.96022005      -0.76263000       0.41644478       0.75137351
Li       0.75842196       7.47520004       9.08931998      -0.84958453      -0.87854131      -0.21045042
Li       2.71977996       6.24245002       1.79938000      -0.33546889      -1.34829929       1.26648976
Li      10.27079998       7.96753995      10.76310004      -0.00536829      -0.24556595       0.57522136
Li       1.74518002       8.48204001       6.78804002      -0.27978872      -0.86526950      -0.49562498
Li       7.51777004       9.54231004       1.24482995       0.35847589       0.05200897       0.26515859
Li       4.16845996       7.12219999       7.24421996       0.42386586      -0.06301899      -0.63662309
Li       4.27491001       8.32073996       9.31449997      -0.70641815       1.11179777      -0.05626044
Li       5.73030997       7.84185002       1.38202004       0.55080727      -0.33337613      -0.21730407
Li       6.97777994       9.90392002       9.28248994      -0.48479027      -0.18832321       0.31375609
Li       8.71326002       6.91483996       0.07232683       0.04282701      -0.37276643       0.93616112
Li       3.30796005       9.35116995       0.04112681      -0.38613392       0.42531871      -0.23707193
Li       2.15786005       6.95514998      11.42029999      -0.28098008       0.00694178      -0.78804260
Li       5.21674006       5.41704005       0.49199702      -1.14399797      -1.29778670       1.25802972
Li       5.12523995       8.80888996       5.51636999       0.06859460       0.04602585       0.06993994
Li       6.37842996       6.44456005      10.87710003       1.36793924      -0.00446067      -1.75595637
64
Lattice="12.749568 0.0 0.0 0.0 12.749568 0.0 0.0 0.0 12.749568" Properties=species:S:1:pos:R:3:forces:R:3 energy=-543.1631643 stress="0.0018371543135676743 0.0034276546410082283 -0.0020778605035053576 0.0034276546410082283 -0.00344694524205605 -0.00020304793852101127 -0.0020778605035053576 -0.00020304793852101127 0.0016652957329184865" free_energy=-543.1631643 pbc="T T T" config_type=wetmd 
Cl      10.34909999       5.75268999       8.34006004       0.68753028      -0.38996543      -0.45419582
Cl      11.98889996      12.55320005       9.04345001      -0.11122539       0.80212532       0.12861601
Cl       4.74163000       3.96135006      10.68780004      -0.56259262      -1.55218614      -0.14631343
Cl       8.97601002       5.54611002      12.07340002       0.29642234      -1.02322408       1.24571649
Cl       8.17155002      12.37400002       4.12383999      -0.04257512       0.38331425       0.13118693
Cl      10.76490000       6.39799994       2.27419998       0.26806321      -0.09144494       0.38611729
Cl       8.57558000      11.08360005       9.28658006      -0.89875413       0.15434139      -0.19480462
Cl       0.48930496       9.35522998       9.64917000      -0.76433631       0.36717994      -1.11307032
Cl      10.83850006      10.60859998      12.64927505      -1.02455228      -0.28178109      -0.21055916
Cl       2.39995994      10.03849999      11.81809999       0.56283992       1.08876452       1.24199124
Cl       0.20601402       7.29163004      12.03810003      -0.16650329      -0.67030487       0.15613457
Cl       3.69589003       0.85935696       7.67297995       0.25271373      -0.30748631      -0.03560962
Cl      10.50440006       1.27152997       0.42091806      -0.15026945       0.30847152       0.50946363
Cl       1.53376003       5.31371000       1.97202005       1.10777672      -0.83450263       0.44867627
Cl       0.33912104       9.52210003       1.99080998       0.63499924      -0.01934523       0.42547861
Cl       0.57317098       4.19943001      10.77980003      -0.10828938      -0.79872776       0.04035742
Cl       5.66773006       5.87169000       0.91878895       0.43583193      -0.37084919       0.95205190
Cl       6.89677006       6.19406997       8.94576996       0.08367712      -0.00178610      -0.46678794
Cl      11.12519998      10.13060006       6.41808995       0.10044184      -0.09981628      -0.34765071
Cl       0.32375705       1.65262004       4.69638000      -0.30115989      -0.12170940       0.00408238
Cl       4.81501001       9.13632997       9.47051005       0.14773514       0.71313108      -1.19681097
Cl       7.84832998       5.18074004       3.58885996       0.04191574      -0.63951486       0.50497435
Cl       9.88138999       8.31985006      10.27719995       0.17559531       0.41449651      -0.09814890
Cl       3.01750005       4.81492994       5.38130005       0.49629181       0.11378175       0.14582401
Cl       3.73050995       6.80687999      11.40149995      -0.24768353       0.32424551       0.69261059
Cl       7.05414996       7.97813002      11.65750006       0.19004701       0.68963593       0.58707313
Cl       8.10372002       8.45966998       2.62200004      -0.72679699       0.51771781      -0.23488603
Cl       8.00633003       2.29430006       8.71287997      -0.05295076      -0.32857077      -0.33343556
Cl       3.18093001       0.13741599       1.63053001       0.01804097      -0.15310906       0.13052082
Cl       1.70822996       6.48151000       8.44084996       0.06744866      -0.13553261       0.06992163
Cl       3.91148995       8.47238003       2.19030999      -0.51124992      -0.06790467       0.74732246
Cl       5.83150999      10.63310006      12.57230005       0.20485725       0.73523361       0.46341827
K        0.46736895       8.56406995       4.73700994      -0.10025722      -0.40639957       0.14751025
K        5.23615004       0.17757394      10.70110001       0.15925417       0.02553191      -0.69687097
K        1.79326002       0.43099698      11.80040002      -0.58653744      -0.02675120      -0.35033103
K        5.43911003       3.75741996       7.81574999      -0.07324736      -0.10339140       0.08399961
K        3.03193996       2.62440002       3.52240003      -0.36801587      -0.09807345      -0.13921033
K        9.58613996       0.12624699       6.96870006       0.24516126      -0.03898783       0.41515204
K       12.06669999      12.16639995       2.71197004      -0.33153691       0.19634485      -0.24209008
K        0.63911595       3.98778999       7.07455998       0.05036307       0.01941520       0.18657486
K        6.04766999      11.33610002       5.93693999      -0.16766855       0.17141727       0.35282481
K        1.24309996      11.59399994       7.23410004      -0.03788896       0.06878783       0.26978617
K       10.42810001       3.15528005      10.37859994      -0.17759216      -0.12727448      -0.11935058
K        9.32877004       7.30500995       5.24452001       0.31587800      -0.03303750      -0.02606593
K        5.38806994       6.38442000       4.34428002      -0.49106615       0.15428297      -0.21603990
K        7.23201995      12.73864519       1.24465006       0.38999200      -0.06726052       0.13072123
K        9.12252997       2.55717002       3.84399998       0.27641167       0.07579458      -0.16409571
K       11.91329999       3.90829006       0.80010704      -0.16851990       0.17662067      -0.18931038
Li       2.59369001      10.16070001       1.47072004      -0.20873500       0.22039623      -0.38443231
Li       8.53099999      10.04179996      11.40559996      -0.17511272       0.57930363      -0.70092217
Li       3.44890005       6.19719004       0.99238404      -0.29182375       0.28443442      -0.27257819
Li       0.03612297       9.46757994      12.00110002      -0.07705248       0.22975922      -0.04773156
Li      10.80300004      10.63170003       9.24772002       0.51174175      -0.52467597       0.08167220
Li       9.35589997       8.41955997      12.59389998       0.74115176      -0.98564755       0.50426364
Li       2.64196994       5.14678998      10.43089994      -0.24660597      -0.11144131      -0.38330623
Li       7.45316006       8.40610000       9.20152005      -0.32813260       0.11861699       0.56722427
Li       5.79519004       8.39308001       1.19901005       1.18877559      -0.02017098      -0.37596060
Li       4.53028997       8.95228996      11.63870005       0.30071014       0.17502471      -0.10333644
Li       8.99423005       6.21904994      10.11010003      -0.16565878       0.21442749      -0.95649955
Li       2.48097006       8.35614005      10.35449994      -0.41675699      -0.28246130      -0.90990822
Li      12.38559996       7.00230002       9.72962003       0.05988253       0.02267414      -0.15496842
Li       7.94898999       6.43985002       1.61253004       0.30233113      -0.54701249      -0.23608952
Li       0.08537621       6.68605999       1.42898000      -0.67616587       1.17799775      -0.26810108
Li       5.97251001       5.61244997      11.26719995       0.44343243       0.73707800       0.01820520
64
Lattice="12.48445812 0.0 0.0 0.0 12.48445812 0.0 0.0 0.0 12.48445812" Properties=species:S:1:pos:R:3:forces:R:3 energy=-546.27490867 stress="-0.004162666564607507 0.0019382822278665973 0.0012753333330876677 0.0019382822278665973 0.0030256782224043796 -0.0012435841929868711 0.0012753333330876677 -0.0012435841929868711 -0.006957529054714316" free_energy=-546.27490867 pbc="T T T" config_type=wetmd 
Cl       2.11396995       9.70284994      10.55549998      -0.06884982       0.83380497       0.02108178
Cl       5.36198999      11.10080001       5.02207003      -0.26754556       0.35794021      -0.45651202
Cl       8.45072995       4.71521004       3.82280999       0.37527101       0.02468823       0.49416906
Cl       8.66143003       5.85578002       0.66691001      -0.59608559      -0.22766578       0.56309148
Cl       7.70466997       8.86865006       6.22902999      -0.96668719      -0.94669380       1.42380584
Cl      10.67279995       7.60685998       4.93922005      -0.07817711      -0.00356725       0.36130175
Cl       4.88029004       7.90349995       0.52961506       0.54083140       0.61755387       0.73293759
Cl       3.15570996       5.85654994       7.61660997       0.03707380      -0.45547859       0.02726200
Cl       1.46620997      10.02520002       6.52985000       0.59938704       0.66005883       0.00276235
Cl       3.26767995       1.97859997      11.41369998       0.15865944      -0.37826433       0.22525012
Cl       5.17100999       4.95974999       2.30643997      -0.37285864      -0.28068966      -0.50376250
Cl       0.11651295       0.47875800       2.45886996      -0.56521362       0.65512687       1.00441223
Cl       0.42776697       2.11061001       7.06493999      -0.24841445      -0.36781775       0.18863377
Cl       8.31439006       1.30039002      10.90610002      -0.37129134      -0.03587397       0.16095068
Cl       2.68596999       9.78534998       2.27979002       0.08923370       0.36567449      -0.26148390
Cl      11.52190003       7.01651003      11.50170005      -0.28459672       0.69950996       0.00622800
Cl       4.45035002       7.28995000       4.60548002      -0.17045634       0.77214867      -1.08765748
Cl       5.88432998       5.33804006      10.39750005       0.23189235      -0.50264217       0.24920477
Cl       6.94029005       1.28928997       2.96922999       0.21655580      -0.78482087      -0.49068271
Cl       6.43858999       5.29765995       6.75498997       0.84148562       0.03545240       0.30465878
Cl      10.25729996      10.68270000      11.62350005      -0.05991351       0.13869902       0.29208193
Cl       2.70534999       6.48736002      11.05190001      -0.21130688      -1.00525533      -0.65736493
Cl       9.59849997      11.41169997       4.35634005       0.00907382       0.08216774      -0.11598392
Cl      12.40860006       3.74254004      10.94489996       0.02330763      -0.22889257      -0.32080037
Cl       0.87415801       6.53990998       2.11901005       0.61577131       0.20179947       0.14959066
Cl       8.01587006       7.74850003      10.55429997       0.11551518       1.09320063       0.02917202
Cl       7.47872000       0.37620204       7.13283997       0.18869813       0.69509203       0.57824642
Cl      10.42120004       9.86045998       8.06564996      -0.09534571       0.18457326       0.31274535
Cl       9.71041003       6.02291995       8.28079001      -0.72728445      -1.26163300       0.54376659
Cl       5.17681002       8.50584996       8.66225999      -0.08033530       0.32138950       0.12491493
Cl       0.52480205       7.43309006       8.10239996      -1.20154340      -0.54929019       0.55219004
Cl       7.55745998       8.67169000       3.13353994       0.60710846      -0.42191237      -1.86884187
K        1.45309005       6.75266000       5.45816002      -0.33330824       0.35893421      -0.65348483
K        2.43303000       3.44565002       8.92794000      -0.03158148       0.19265395       0.42489853
K       10.41700002       1.48232004       5.41510000       0.17216782       0.28992705      -0.27644275
K        4.16491997      11.25690005       7.65362002      -0.05089312      -0.53492054       0.11854395
K        2.27576004      11.85910000       4.36482998      -0.16512999      -0.28594866      -0.15167219
K        1.46639998      12.30990005       0.29181897       0.63222816      -0.80144157      -1.02887326
K        9.70829004       0.15734188       1.60186996      -0.06399916       0.09710576      -0.29989570
K        6.01413002       3.39154999       4.60880001      -0.26475929       0.13379487       0.11275412
K        5.68310998      11.02540000       1.62545997      -0.18558959      -0.52388519       0.39625656
K        0.57758896      11.86990006       8.64325003      -0.31799266      -0.63323289       0.08082337
K       10.45639997       2.33284996       9.28019997       0.63364035       0.16291481       0.03541752
K        7.57380001      10.82829999       9.46386994       0.41455318      -0.19956380      -0.00459817
K        1.74475995       3.93971995       1.08772002       0.03064640       0.16062908      -0.38600575
K        6.09434004       2.74632997       0.15905200      -0.00433017       0.45444385       0.07573236
K       10.29010000       8.44456001       1.83287001       0.29779529      -0.34243640       0.02402806
K        7.42206004       3.10818001       8.64530997      -0.58179158       0.52817010       0.03918236
Li      10.14009998       8.81780997      10.25110005       0.45182000      -0.08309063       0.11503207
Li       4.76998997       6.72194998       6.50939996       0.35126541      -0.01686971       1.32839560
Li       6.24034004       9.03956004       4.62597001      -1.24176580      -0.09659324       0.63693606
Li       4.79953994       7.56741996      10.93680005      -0.64518688      -0.30839402      -1.35785104
Li       7.21906999       6.06647997       2.47111996      -0.02454418       0.13641935       0.13510346
Li       8.36827997       6.52165995       5.36118999       0.26509079       0.05611093      -0.12135517
Li      10.89699997       7.41473004       7.28853002       0.61099972       0.99530847      -0.62585431
Li       6.60013001       6.71832999      12.19939999       0.62978888      -0.55668833       0.10810970
Li       0.13114299       5.88986996       9.92382997       0.27641209       0.20170879       0.00659957
Li       9.43610002       6.04223004      11.18809995       0.43286637       0.18741816      -0.51368649
Li       1.63899999       7.91335006      12.18150002      -0.49573023       0.46590363       0.51918146
Li       2.45530003       8.02656999       8.90171003       0.52146070      -0.15200828       0.24014591
Li       7.53327996      12.00490000       5.13677998      -0.41806657      -0.18171281      -0.66178352
Li       3.46161002       7.24243004       2.54826005      -0.13462499       0.22886093      -0.44462166
Li       7.49462995       7.11088005       8.41305997      -0.39104510      -0.14652243      -0.23130128
Li       9.48473996       9.83574999       5.95695994       1.34564482      -0.07537797      -0.22508300
64
Lattice="13.17468384 0.0 0.0 0.0 13.17468384 0.0 0.0 0.0 13.17468384" Properties=species:S:1:pos:R:3:forces:R:3 energy=-544.42499191 stress="0.005039606036672983 -4.067242596977983e-05 -0.00012598466821917066 -4.067242596977983e-05 0.006876078271881872 0.0003394881518920239 -0.00012598466821917066 0.0003394881518920239 0.00790489164276788" free_energy=-544.42499191 pbc="T T T" config_type=wetmd 
Cl      12.20710001      11.78390005       0.49891803      -0.44962055      -0.12487886       0.48783958
Cl       6.10117000      12.98130003       6.70027004       0.05123409      -0.47123809       0.26925264
Cl      10.48900003       3.76017005       1.53506001       0.07598635      -0.19455680      -0.08862852
Cl       7.97617006       6.73621005      12.88575380       0.15528228       0.56912207       0.31018204
Cl       8.45013998       5.73350001       5.14185000       0.78382114       0.01746731       0.02507700
Cl       9.26154004       9.05137998       7.09773998       0.03660474       0.13511044       0.07869263
Cl       6.98960006      10.39080003      11.02950000      -0.53384766       0.26907872      -0.13625910
Cl       2.26685995       5.74177003       3.51499998      -0.65616751       0.41318786      -0.09736640
Cl       4.99539006       8.87343994       1.36274002       0.17808571      -0.06303970      -0.27696354
Cl       1.31949004       3.70640996      12.33821987       0.26745383      -0.83002093      -0.11376598
Cl       5.67399998       6.10603001       3.30595003       0.62101687      -0.40449640      -0.20334786
Cl      10.13670003       9.91174006      11.28250004       0.63370015      -0.67118695      -0.01498472
Cl      12.82960000       8.22708007       5.69821004      -0.09211627      -0.15661784      -0.46447974
Cl       6.56635004       0.94348101      12.61050001       0.81367655       0.73740213       0.43943891
Cl       2.88251003       0.90873106       3.20823999       0.47370292       0.40377902      -0.11553400
Cl       7.87457994       9.56261002       3.47770996       0.36944851       0.01123192      -0.10285053
Cl       4.99262997       7.61749996       6.26766994      -0.09503206       0.36496129       0.04734338
Cl       4.75335004       3.91199998      10.94550006       0.07629595      -0.08823830       0.12314513
Cl      12.89860004       0.11484899       4.79206003      -0.34969139      -0.14927283       0.13090779
Cl       2.47398996       1.00423000       8.87684994       0.10305507      -0.12621224      -0.05461160
Cl      10.16709995      13.09320303       8.00132000      -0.23813613      -0.35357724      -0.01120392
Cl       2.26057997       5.14231005       8.68982002      -0.42987524       0.12605181       0.07915522
Cl       3.14271003      11.77909999      12.34179996      -0.17051655       0.10819512       0.25039157
Cl       8.45805994       4.06161999       9.56311000       0.38395226      -0.53909338      -0.11143140
Cl       2.35645004       7.33033006      12.15129996      -0.06745889      -0.29176710       0.74616387
Cl       5.38062006       7.26778997       9.73362005       0.29811248      -0.02427817       0.41714957
Cl      11.73249995       4.47797003       5.29418004      -0.71259082       0.27828150      -0.00309091
Cl      10.88890004       6.43602000       8.90648995       0.53076284      -0.22865385      -0.26900872
Cl       7.15748005       1.90092994       2.96865006       0.05902799      -0.51915881       0.30250806
Cl       1.39579003       8.67675996       9.05792003      -0.23420289       0.37747368      -0.05633445
Cl       4.61668997       3.16455998       5.82368995      -0.10891178       0.19894025      -0.26454418
Cl      11.33819997       7.13508006       2.04768999       0.17164751       0.52898630      -0.19751740
K        0.85260401       3.23122994       4.54225999       1.26320062      -0.55288564      -0.16519818
K        5.15964003      13.09535248      10.58609996      -1.09729752      -0.65501439      -0.71882711
K       12.17019996       5.20563997      12.41920004      -0.52917854       0.37655705      -0.02081119
K        8.88367996      12.88930003      11.33159998       0.40464868      -0.47031883      -0.21577110
K        6.46984996       9.56469004       7.77940997      -0.30076698       0.37361089       0.66164525
K        5.76966004      12.14630003       1.31909006      -0.49520726      -0.46636097       0.16496532
K       10.69270001       1.40306997       3.36517998      -0.31111613       0.34235271      -0.21842206
K       11.24480003      10.33249994       3.17339005       0.18798232      -0.25296164      -0.01009036
K        1.17596003       0.55719401       0.70697303       0.50852397       0.03213564      -0.19669916
K       10.91909997       2.59756006       7.67754003       0.04857040       0.60619737       0.16177586
K        3.18396998      13.00044588       6.03360996      -0.08619293       0.33383105       0.05217104
K        6.45023997       2.29084999       8.30441994      -0.39436920       0.23842165      -0.37138415
K        7.34546000       3.76617006       0.77301298      -0.00079506       0.17977707      -0.28493078
K        8.45609006      11.95359999       5.32249006      -0.12258350      -0.09506737       0.42289173
K        0.61528198       9.70225996      12.03290000       0.19726540       0.37455106      -0.22286023
K       12.37659996      10.89959999       7.62711998      -0.05817758      -0.22690995       0.03017246
Li       4.95177000       2.47539003       3.47024005      -0.12950905      -0.16793207       0.61220519
Li       4.46962005       5.56773996       5.69346004      -0.07411034      -0.55191732      -0.34452769
Li       0.53961502       7.06280994       7.68395004       0.13696583      -0.08017579       0.18934300
Li       2.98954998       7.18412005      10.08240004       0.03809793      -0.06503225      -1.04182082
Li       7.01983003       7.49786000       5.33516002       0.23996699      -0.18590306      -0.53616680
Li      10.45090003       5.31790000       3.18828996      -0.36133769      -0.06726415       0.44964389
Li       9.57875006       8.17289997       9.39894000       0.09291831       0.46990969      -0.09308183
Li       9.69737004       8.52434994      13.04143087      -0.37019360      -0.23073225      -0.28700276
Li       0.02095486       7.07363004       3.40823999       0.46247657      -0.20098879       0.65991026
Li       7.06846003       7.71379004       2.03806997      -0.56074937       0.07965928      -0.00418011
Li       2.96851001       5.18010005      12.09830005       0.32081622      -0.22557999      -0.19527590
Li       2.35674001       2.94356994       9.99269006       0.23138462       0.58431403      -0.05353367
Li       5.90953000       8.45374997      11.72690005      -0.00294995       0.04895086       0.14061605
Li       3.91094996       7.17522003       2.59839994      -0.06742209       0.20488812      -0.14304692
Li       6.68049998       5.12188995      10.11219999      -0.81242495       0.57557162       0.29966124
Li      10.45269996       6.13744004       6.45365998      -0.30313564       0.37133446       0.15330508
64
Lattice="13.90348359 0.0 0.0 0.0 13.90348359 0.0 0.0 0.0 13.90348359" Properties=species:S:1:pos:R:3:forces:R:3 energy=-541.4533555 stress="0.007097775590010657 -0.0010122882327356453 -0.0002855229030689399 -0.0010122882327356453 0.005304982153438249 -0.0009533990885706975 -0.0002855229030689399 -0.0009533990885706975 0.004577821330545782" free_energy=-541.4533555 pbc="T T T" config_type=wetmd 
Cl      10.38269999      11.02990006      12.15480005       0.80542452      -0.18224480      -0.12482805
Cl       4.47241004      12.55259999       8.51230995      -0.34996115      -0.04318522       0.00712094
Cl      12.25510006       3.06248001       3.72853001       0.74060585      -0.23670706      -0.31298146
Cl       8.40384998       4.45902001       1.82595006      -0.41566418      -0.80251861       0.05126572
Cl       7.55969998       8.56774995       1.62137003       0.64697175      -0.10413668       0.53477884
Cl       8.71694003       7.53519995       9.37128997      -0.19471504       0.39572064      -0.83561539
Cl       7.09894993      11.28100003      13.54964160      -0.35611003       0.44882710      -0.20916722
Cl       3.94493995       7.91414997       4.20243998      -0.87306601       0.31481997      -0.64524750
Cl       8.50542995       6.71788006      12.54739995       0.28664228      -0.30827320       0.13651204
Cl       4.19085003       6.29156004      10.90659994      -0.36506934      -0.21037430      -0.60245542
Cl       8.09604007       6.46079005       4.63218998      -0.06255447       0.19460297       0.36269352
Cl      12.09109999       5.50092997      10.53410003       0.48413365       0.00812232       0.02684093
Cl       3.42599994       6.70917995       7.31579005      -0.51870781      -0.21314789      -0.03747859
Cl       6.84789000       1.33582001      10.79130002       0.42148756      -0.22330869      -0.18889572
Cl       2.08489007       4.15198006       1.32578003      -0.41722501      -0.18912331       0.12957414
Cl       7.95341994      11.59039995       4.02229004       0.14196027      -0.26101895      -0.09494683
Cl       6.25690005       8.45078995       6.67412996       0.46037873       0.63167518       0.49013214
Cl       4.62460994       3.29016999      13.10059996      -0.29669785      -0.14184097      -0.15935711
Cl       9.64381006       0.04323344       1.55097002       0.71604156      -0.09910738       0.05024165
Cl      13.75390964       1.45876003       6.46782994       0.25552252      -1.21681253      -0.07759341
Cl       8.35285006       0.75930302       5.85721994       0.36576345      -0.31129024      -0.43186496
Cl       4.82846004       9.49989997      11.04390004       0.02547411       0.14323295      -0.03370473
Cl       0.64733104       6.18622002       3.89995996      -0.04899573      -0.32268529      -0.01792044
Cl       6.55198995       4.74884994       8.21075006      -0.31891160      -0.21163641       0.09447992
Cl       1.35215994       7.34739003      13.44638766       0.53127323       0.28071132      -0.36900763
Cl       5.17647994       6.65769994       0.87724294      -0.89041529      -0.29577317      -0.20261637
Cl       2.15594994       2.99346993       8.96551999       0.08047489      -0.11643738       0.07015008
Cl      10.65379999       5.17244001       7.28038998      -0.33771353      -0.31155441      -0.09853987
Cl       6.04163005       1.20914996       1.85088999       0.01730014      -0.29315997      -0.01492934
Cl       0.80960402       9.34044995      10.01640006       0.11306203       0.17984915       0.01704183
Cl       5.14228001       4.34545997       3.88089995      -0.58498529       0.05320617       0.07976861
Cl      11.64689996       5.88840003       1.01007001       0.41693053       0.08606376      -0.15682161
K        1.51076003       3.21101996       4.48302006       0.07621904       0.18529906      -0.27853132
K        4.73267004      13.70173264      12.39659999       0.49012056       0.03308760       0.45999351
K        0.86125699       4.76465000      12.08549995       0.03636166      -0.00876273       0.06388964
K        8.66149002       1.78740001       8.37428006      -0.13488287       0.86317248       0.52951308
K        3.78882997       9.66210997       8.03213993      -0.00582109      -0.19714076       0.10568741
K        8.79981995      13.42050007      12.52380004      -0.18236286       0.03722140       0.27534389
K        9.59304997       3.49585006       4.46754993      -0.79508834       0.67015680       0.01753008
K        9.71669004      10.78319999       1.27762003      -0.55879894      -0.01902302      -0.06193313
K       12.88340001       9.11117998      12.47329994      -0.17351892      -0.26864681       0.19421317
K       12.78449995       3.33617996       8.17144005      -0.09961456       1.08361489       0.46635884
K        1.15790005      13.68193853       8.92788994       0.33573752       0.17303747      -0.34023259
K        4.86963993       1.42215995       8.50789003       0.11849400       0.78498396      -0.11408109
K        7.62015997       3.70763001      12.85060003      -0.38015327       0.29764560       0.30366468
K        7.55449006      11.64889997       6.89955994      -0.38838117      -0.17023522       0.01271190
K       12.21319997       8.27374994       8.67517994      -0.31841150      -0.58785259      -0.01325241
K       11.64609995       0.25569897       4.58822995      -0.21671249       0.17587888      -0.31521525
Li       4.47605998       3.04691006       1.62554998       0.47972911       0.29104007       0.02644575
Li       8.09405993       6.18485998       7.06613006       0.25129915       0.17374863       0.00229203
Li       6.17951006       7.31807996       9.52713995       0.18367441      -0.15974874       0.15383574
Li       2.73943007       8.51097994      11.60259998       0.14386709      -0.31036509      -0.11965888
Li       7.10230999       9.29859004       3.81969000       0.00363923      -0.17479910      -0.19429069
Li      13.11795860       4.57218004       2.13318007       0.02470206       0.40437025       0.26212451
Li       6.75471998       9.10491994      12.95990004       0.00609483      -0.27621231       0.22792938
Li       9.42632996       6.14282002       1.17801005       0.39914114       0.83047172      -0.77314702
Li       2.18435003       6.56863005       5.40320002       0.63718272       0.55594291      -0.31105131
Li       8.00205001       0.05282100       2.98575002      -0.94170121      -0.04532745       0.01553532
Li       2.85845000       6.28143997       2.06515004       0.39632845       0.15860506       0.24189056
Li       3.85389994       4.96343005       8.57287005       0.27176948      -0.07676695       0.58625982
Li       7.07457004       6.21683994       2.53285002      -0.65791791      -0.09166523      -0.05928700
Li       5.31151002       6.78553997       5.36000996       0.45319649      -0.71188145       0.16336233
Li       3.80560995       5.93099002      13.08520964       0.54180667      -0.32607650       0.48294815
Li       9.96449002       6.17671004      10.54840004      -0.47465323       0.06373207       0.55252216
64
Lattice="12.22047489 0.0 0.0 0.0 12.22047489 0.0 0.0 0.0 12.22047489" Properties=species:S:1:pos:R:3:forces:R:3 energy=-546.63520409 stress="-0.0052534048872822005 0.00015254781952688947 0.00047568040882999256 0.00015254781952688947 -0.005773212615835969 -0.0042608131097252875 0.00047568040882999256 -0.0042608131097252875 -0.004825913123198159" free_energy=-546.63520409 pbc="T T T" config_type=wetmd 
Cl       7.93179003       9.38153001       9.82525998       0.00568817       0.48077776      -0.23182119
Cl       0.99672503      11.57030004       9.63160004       0.37917135      -0.02228515      -0.07651941
Cl       1.41684003       3.47510003       2.37112005      -0.50500013       0.10960361       1.15543980
Cl       5.49069994       7.48897000       1.79335994       1.52626143      -0.48824679      -0.93009462
Cl       5.68251997       9.97115998       4.20107995       1.32775309      -0.44576556      -0.94594715
Cl      11.94810006       8.21096995       6.61573996      -0.48253585      -0.13636490      -0.01410376
Cl       6.32788997      11.68499995       0.47066902       0.77574578      -0.73881742      -0.24054255
Cl       4.55812996       0.41671502       5.70000001      -0.07299817       0.74093172       0.46455181
Cl       6.55981002       5.88773999      11.05890005      -0.03652654       0.52910001       0.01997610
Cl       2.29868000       5.43104997       0.09608849       0.65931045       0.39352831      -0.36939100
Cl       8.99441005       8.36630001       4.25864999       0.02187378       0.13154028       0.56185554
Cl      11.17670006       4.07408001      11.26620000      -0.66959825      -0.53541387      -0.40769852
Cl       4.47606996       5.48573000       8.39529003       0.00871812      -0.24585783      -0.29905543
Cl       8.41959998       2.04221000       3.59444005      -0.73769222      -0.28678922      -0.35659542
Cl       5.07346995       4.04864003       2.88739002      -0.57633750      -0.97169078      -0.20569283
Cl       1.65982999      10.35769996       5.29895996       0.69143921       0.17220444      -0.19606917
Cl       4.86994002       8.77327995       7.39937998       0.73577357      -0.02206304      -0.28021288
Cl       3.34733997       1.42389002       0.32257801       0.39247406      -0.38576138       0.41066029
Cl       9.69873004       9.13467996       1.01254003      -0.64480724       0.23573558      -0.48482862
Cl      11.32910001       5.41069005       4.74646996       0.53924221      -0.41730146       0.29526518
Cl       7.73921001       1.54899994       7.84676998       0.20889103      -0.22647450       0.28589182
Cl       4.28932998       9.26605997      10.78090002      -0.01181551      -0.70707575       0.59452837
Cl      11.70630000       0.36942997       0.25843298      -0.40524443      -0.44900314       0.52946018
Cl       8.44372002       6.14307997       7.58265998       0.22207304       0.40184363       0.20679309
Cl      12.14606234       7.24099994       1.90804006       0.13885333       0.11121229       0.64335824
Cl       2.83267003       9.21455995       1.98614001      -0.59296206       0.48684829      -0.34646091
Cl       6.45976001       5.91191001       4.96722001       0.14849532       0.25402605      -0.10574404
Cl       0.28532511       2.76819004       7.72161998      -0.38029002      -0.17816908       0.47357351
Cl      11.83689997       0.96316296       4.22729005      -0.84024771      -0.62105146      -0.50011480
Cl      12.18927370       7.39969002      10.50310002       0.24049200      -0.29166839      -0.35226045
Cl       2.97423005       6.61550997       4.80302999      -0.64092136      -0.00679874      -0.19638817
Cl       9.05324003       5.49957005       2.16855003      -0.50823039       0.04706851      -0.77578673
K        1.94342004       2.69740000      10.40610001      -0.37858121       0.01603623      -0.02071022
K        5.37246000       0.85613702       2.87076003       0.20354422       0.07373128      -0.09618635
K        0.49204899       5.57367000       7.57394006       0.28995158       0.38326632       0.26467727
K        8.17474003       3.72013998      10.32910002       0.15278125      -0.43297780      -0.34994680
K        0.53921697       9.50470006       0.09052512       0.04775410       0.58534381      -0.29634685
K       10.61199998       0.37882507       9.79265001      -0.02012168       0.19589365      -0.31486941
K        5.57018997       3.33562995       5.98883998       0.28055261      -0.29479023       0.14365643
K        9.28816998      11.75840004       2.37390998       0.23802403       0.08795489       0.12724397
K        9.41190999       7.11873006      10.75480001      -0.03498032      -0.31317337       0.05501787
K       10.27660000       2.87641994       5.49658996      -0.36368081       0.12677365       0.91096515
K        1.80104002       1.81881996       5.59005998       0.76790401      -0.14175435       0.01661178
K        5.69925004      11.32880000       9.35945996      -0.20143517       0.33940118      -0.02505605
K       11.02239994       2.70095005       1.79240003      -0.56574675       0.16214965       0.18743684
K        8.13160994      10.93950003       6.39655999      -0.14726197       0.18721930      -0.15383122
K        2.06805997       8.97717002       8.96588001      -0.27229057      -0.09547108      -0.70741767
K        1.51071001      11.74600004       2.68060003       0.20482132       0.31109221      -0.41979347
Li       3.93539998       7.84523998       3.17862996       0.16742497       0.02507713       1.01562722
Li       0.92139106       8.32988006       4.44701004       0.26249874      -0.00827030       0.56741891
Li       6.54754995       6.97467999       8.75280002      -0.45968577      -0.08665962       0.39352840
Li      11.90545585       5.59905999       0.35212516       0.71463240       0.53254380      -0.39262675
Li       4.25607001      10.41259995       5.59457996      -1.24726528      -0.08052301       0.75142826
Li      10.44899998       6.72248006       3.30619999      -0.12349790       0.35278143      -0.32427801
Li       7.99928994      10.13549995      12.03480005      -0.27898236       0.06217981      -0.31905440
Li       8.03427997       7.93567003       2.05532000      -0.15553505      -0.33902523       0.38001732
Li       1.60593000       5.80576004       2.31928996       0.52140576      -0.37658232       0.18854106
Li       4.79083994       9.44190002       0.75048099      -0.02894630       0.48807139       0.13420569
Li       3.36760995       3.22550001       1.62516002       0.44366963       0.34876931      -0.58154653
Li       7.30754996       7.70798999       5.86255005      -0.00885058      -0.00467258      -0.23357413
Li       6.80618995       5.28119004       2.46248997      -0.06014619       0.19843829       0.21843371
Li       4.76113001       6.44613003       6.35020003      -0.56968939       0.46060340      -0.00003081
Li       4.40179000       6.86262996      11.54550006      -0.08975161      -0.18683702       0.08709810
Li      10.19150003       6.85166001       5.93568996      -0.20556427       0.50558812       0.46733445
64
Lattice="12.52083501 0.0 0.0 0.0 12.52083501 0.0 0.0 0.0 12.52083501" Properties=species:S:1:pos:R:3:forces:R:3 energy=-547.23601231 stress="-0.0026621426655634795 0.0013092466290967365 -0.0020825777112725174 0.0013092466290967365 -0.0005557590021226204 0.002348100466053187 -0.0020825777112725174 0.002348100466053187 -0.0025406962360787935" free_energy=-547.23601231 pbc="T T T" config_type=wetmd 
Cl       9.12234996       8.01785994      12.26230005       0.64524140      -0.05495090      -0.49348710
Cl       9.70253002       0.16318204       9.59973998      -0.58995438       0.34445458       0.54190980
Cl       0.61122797       3.60993002       4.05079000       0.48837164      -0.66934857       0.25984268
Cl       3.99998997       7.79784996       0.97953798      -0.41934687       0.99204902      -0.48904218
Cl       5.92281998       9.30532995       5.42362005      -0.51501324       0.15217846      -0.02769548
Cl       0.32556500       7.69910001       4.31748003       0.70041446       0.22424719      -0.51731898
Cl       6.62986002      10.21179996       1.39988995      -0.03379211       0.83056913      -0.02976462
Cl       5.33991001       1.16272005      10.95020006      -0.65823599      -0.48716125       0.40055506
Cl       9.80262997       5.32717995       8.94537998      -0.16712427      -0.12157767       0.20647648
Cl       6.53082998       6.58938003      11.07679997      -0.19360437       0.01419730      -0.99189698
Cl       9.22612001       8.93897996       8.49687002      -0.09667962      -0.30581543       0.19025496
Cl       3.44541001       5.91194000       8.42018003       0.16290327      -0.19246155      -0.03594828
Cl       3.52928996       6.25608004       3.78185999      -0.60816148      -0.34332263       1.34898129
Cl       7.72504994       2.50089005       6.88804001      -0.54236613      -0.41843876       0.32951937
Cl       5.80202999       4.69757001       0.90873203      -0.29225696      -1.11125597       0.39333066
Cl       3.36852006      10.45729998       3.69394996      -0.73535059       0.65548844       0.08898091
Cl       6.74414995       6.42751005       7.17014995      -0.00032897      -0.14356386       0.27701397
Cl       4.86213998       2.00422997       3.40517005       0.00047564      -0.08496046      -0.08205208
Cl      10.42780002       9.86631995       2.23267999       0.83884765       0.33946768      -0.08465414
Cl      10.42769998       5.57879001       5.62784000       0.17579440      -0.61891953      -0.32366058
Cl       7.27437000       4.70301995       4.32689995       0.03210799      -0.27049229      -0.43778335
Cl       5.43824000       9.40035995       9.02990000      -0.36609044       0.70779355       0.02392723
Cl       1.20224006       0.10341296      12.45815671       0.13532111       0.26615610      -0.04740450
Cl       0.28443606       7.65442004       8.02086005      -0.38219464       0.28816076       0.08611439
Cl       8.70527006       3.22046995       0.47287701       0.09287066      -0.82257457       0.07019437
Cl       0.49393304       8.56126994      12.03049995      -0.19644720       0.26778268       0.34934804
Cl       8.86978995       8.56371000       5.18548003       1.12674885       0.04646999      -0.41068812
Cl       0.08971942       3.18478995       9.32094994       1.08351878      -0.37017304       0.55424848
Cl       2.53416004       1.00079998       6.81619997       0.54728666      -0.21902756       0.41129009
Cl      10.13719995       5.77345005       2.05121002       0.54678347       0.70211147       0.28175914
Cl       0.77540905       4.97391999       0.90986003       0.20569312      -0.22721518       0.06291853
Cl       7.07475997       7.31487002       2.33179004       0.26632175      -0.30567858       1.47085507
K        2.40001006       0.79666004       9.69106995      -0.18942021       0.56628005       0.10424800
K        4.72653997       4.06999997       5.74430005       0.05421953       0.20218999       0.08578351
K        1.20042003       5.15319005       6.69480997      -0.33882566       0.04464686      -0.13304037
K        3.52488000      10.27979999      11.48019999       0.24240939      -0.61745894       0.39283397
K        0.88725103      10.44039998       1.97493998      -0.01893723      -0.53329008      -0.00856090
K       10.49240001       2.31590999       7.88883999      -0.50064609       0.20810799      -0.62114854
K       11.58710000       2.54439995      12.25149995       0.05728463       0.12818809      -0.13266114
K        8.25052998      12.36060000       0.04742717      -0.15669446      -0.04994400      -0.09008085
K        6.63447996       3.65538003      10.64340003       0.26666746       0.55439674      -0.08533200
K        3.04140999       2.69756995       1.12225997       0.25847860       0.50045379      -0.11483091
K        1.79772997       0.92248504       4.18972995       0.05639644      -0.06924843      -0.51162381
K        5.29240996      12.27809997       5.18548003       0.07532719      -0.22610883      -0.06553679
K        0.04413181       5.73328998      10.66700005       0.06996479       0.81617591      -0.31209657
K        6.53246996      12.47465504       8.73398997       0.66262261      -0.38344784      -0.43562114
K       11.05899998      10.34769998      10.21140005       0.46359273      -0.94688767       0.30531804
K        2.56142002       9.21106997       6.70319004       0.24914810      -0.46698177      -0.26326864
Li       7.24901005       3.05203004       2.51055000      -0.59932159       0.77725672      -0.07794580
Li       1.54607997       6.59778001       2.61197001       0.34959254      -0.22342825      -0.09124906
Li       8.50351996       6.91832002       9.93020000       0.16424112       0.49723782       0.11603214
Li       6.87409994       7.97571994       0.33740295      -0.33968081       0.70712517      -0.64026250
Li       7.17344994       7.07924005       4.90763995      -0.31230845      -0.17339258      -0.40648719
Li       8.25050006       5.62788996       0.87415900      -0.47880997       0.08701860      -0.07863609
Li      10.44039998       7.13693005       7.22810000       0.21864061       0.31740757       0.64954960
Li       8.51744000       9.27767994       2.97655006      -0.98484582      -0.26680779      -0.07237939
Li      10.73979994       7.47024995       4.12168998      -0.86837643      -0.16734005       0.12966279
Li       5.02061995       9.04609996       2.97174006       0.14097763      -0.10971295      -0.24091753
Li       4.92866005       6.31162997       2.26447001       0.78629004      -0.42261462      -0.72458402
Li       7.52081997       8.61318996       7.09631997      -0.37340502       0.24197084       0.02581980
Li      11.19029996       7.85745001       1.14903002      -0.37614124       0.00824136      -0.59261834
Li      11.40840001       4.67424995       3.41104995      -0.21950186       0.20775736       0.31469537
Li       5.28011000       7.11205002       9.01435000       0.04748668      -0.16696206       0.11877586
Li       8.17776002       4.75752002       6.42037994       0.34182116      -0.10501757       0.08003837
64
Lattice="12.0634088 0.0 0.0 0.0 12.0634088 0.0 0.0 0.0 12.0634088" Properties=species:S:1:pos:R:3:forces:R:3 energy=-548.78961141 stress="-0.00839413382732092 -0.0010194996224476176 -0.0014963940921837225 -0.0010194996224476176 -0.009313551144285928 -0.0016811563937657978 -0.0014963940921837225 -0.0016811563937657978 -0.008451535807106442" free_energy=-548.78961141 pbc="T T T" config_type=wetmd 
Cl      11.78490004       6.92903998       8.88264003      -0.29302463      -0.17153206      -0.64716070
Cl       5.26267005       0.65857406       0.18009125       0.20833150       0.24558039      -0.76835227
Cl      11.37340003       4.92062006       4.61555997       0.42037110       0.13351343       0.09933324
Cl       5.43271996      10.50509999       7.72791003       0.21904863      -0.25037375       0.30985764
Cl       4.23480996       6.67253005       2.03088006       0.14574325       0.00812245      -0.08831934
Cl       1.38467003       7.78548000       3.12673001      -0.40540000       0.18357914      -0.18557755
Cl       3.00019004      10.17439998       0.89506597      -0.37203308       0.15295643       0.17431799
Cl       1.54268006      11.49139995       9.26137003      -0.22686848       0.20992111       0.49693474
Cl       1.38939997       3.15982006       0.39725999       0.09311358       0.02541460       0.12945326
Cl       9.04392998       2.24606003      10.49990006       0.19362964      -0.68153569       0.63000255
Cl       1.04121996       9.90577995       5.73849999      -0.15753363       0.38126243       0.12054799
Cl       4.28136000       4.44193000      10.62480001       1.24748822      -0.68020349       0.15682069
Cl       7.20059998       5.25649998       0.09499126       0.59236526      -0.48209750       0.11782674
Cl       6.49746996       2.15037005       8.58015005      -0.17626356       0.19897823      -0.06510254
Cl       8.42070002       5.02509002       3.57093994      -0.76729292      -0.20033731      -1.83586335
Cl       2.40395002       6.73835006       6.46376998       0.25757662      -0.92673351       0.19205947
Cl       6.64764999       7.37997997       5.59934001      -1.00536414       0.13171776       0.55663213
Cl       4.88931997       3.29609001       2.27988004       0.51850929       0.49083730       0.96550042
Cl       6.50750997       8.71832000       0.98457803       0.56748114       0.39323340      -0.34048497
Cl       9.67262997       0.71091695       6.81391995      -0.29737895      -0.83176586       0.23998599
Cl      12.02770002       3.54780003       7.89164004      -0.12679537      -1.20575602       0.98426244
Cl       4.17062997      10.19410001       4.06798001       0.32646994      -0.41781436       0.01123189
Cl      11.57420006       1.03299995       3.10088994      -0.15604439       0.56541431       0.10740713
Cl       5.00742002       7.40899006       9.45090005       0.18476844       0.53182057      -0.59250765
Cl       8.44719006       4.75383004       7.02054998       0.12224249      -0.81825785       0.51631104
Cl      11.05600005      10.36300003       0.15189122      -0.20720759       0.09447561      -0.72587753
Cl       9.71027999       8.23223001       4.89799996       0.57218144      -0.01135604      -0.30943170
Cl       7.61477999       0.55364496       3.24149006      -0.28858814      -0.28227731      -0.12576912
Cl       2.79282004       2.32842995       5.07905001      -0.19354810      -0.21016191       0.08845767
Cl      10.76820004       6.80203002       0.82729096      -0.46671932       0.24094507      -0.25741379
Cl       1.81242994       8.10120003      10.90779998       0.08247997      -0.90204688       0.69038866
Cl       8.88990003       8.10752995       9.77965002      -0.83951643       0.23815644       0.49968391
K        0.38730201       0.75936396       6.38625004       0.77257454       0.25354928      -0.21916320
K        5.45305996       4.96894004       7.49460998      -0.26261605      -0.16426626      -0.07880539
K        2.43733997       8.97232001       8.36000997       0.05893614      -0.18697609      -0.95240383
K       11.92790005       1.56579005      10.43120003       0.22302158      -0.09327581      -0.02279049
K       11.21310001      10.32680004       3.00018002       0.04020662      -0.58568224       0.59284276
K        8.39025004      11.10409999      10.84999997      -0.25539550       0.13797240       0.21011521
K        2.19985995       4.92852002       3.93568000       0.28620889      -0.03573782      -0.30828703
K        7.41396995       9.70042997       3.90244000      -0.36235276       0.10968539      -0.11098487
K       10.61759997       4.05225005       1.67687004       0.23496577      -0.51061885       0.09290146
K        4.35231999      10.53479999      10.59429997       0.35671624      -0.01298214      -0.74697914
K        2.28962003       0.10949401       2.65627998      -0.04641622       0.94758551       0.53710945
K        9.15852006       2.52433995       4.58375998       0.46675634      -0.11856584       0.31872535
K        1.74730997       5.07420004      10.10030001      -0.97792967       0.33624622      -0.26268481
K        4.68948997       0.34110000       5.73283996       0.44019961       0.49774571       0.38739874
K        9.10122996       4.89178996       9.80371000       0.59178518       1.15665298      -0.25034210
K       10.14130003       9.64640002       7.52382997       0.48656254      -0.12765019      -0.36233883
Li       8.41422004       6.05383002       5.32459997       0.43191998       1.09691004       0.63221316
Li       3.83936997       3.30232004       0.47596602      -0.77274479      -0.14342263      -0.66081282
Li       6.15500004       8.40118999       7.70936001       0.02479635      -0.09948428      -0.18997192
Li       6.00093004       1.44489998       1.98928000       0.37257411      -0.04681683       0.52027842
Li       4.49315003       9.08744004       2.17838997       0.46222169      -0.36985094      -0.01303242
Li       5.55445001       6.29858995      11.19220003      -0.72009612      -0.08469359       0.46125959
Li       2.98025996       8.32919002       5.04549998      -0.52200891       0.50014273      -0.44877529
Li       6.49212997       5.51679999       2.52157996      -0.58403522      -0.10516621      -0.24564415
Li      11.25519998       7.00302004       3.50277999      -0.01270989      -0.09649291       0.13508558
Li       2.49733999       8.02454998       1.07598996      -0.37986200      -0.79235499       0.08220587
Li       1.08895004       9.98419995      11.57130001      -0.02481254       0.72661055      -0.17079163
Li       0.22459124       5.34989996       6.91764006      -0.01903187       1.15813234      -0.62284725
Li      10.94559995       7.90242003      10.74589999       0.41548631       0.00830554       0.42551737
Li       8.08642996       7.33248006      12.03390001       0.46849069       0.41401467       0.15521249
Li       6.66881005       2.88195005      10.92350003      -0.36508843      -0.31143355      -0.34857287
Li       8.86161001       2.32869003       7.97601997      -0.60054440       0.38823867       0.31920753
64
Lattice="13.00981862 0.0 0.0 0.0 13.00981862 0.0 0.0 0.0 13.00981862" Properties=species:S:1:pos:R:3:forces:R:3 energy=-546.44661231 stress="0.005594050907773676 0.0023588152647695906 0.0006224050314141247 0.0023588152647695906 0.005631529952980326 0.0014190833085959858 0.0006224050314141247 0.0014190833085959858 0.008695080716534196" free_energy=-546.44661231 pbc="T T T" config_type=wetmd 
Cl      11.29050006       0.52294098      10.86820004       0.48927785       0.39492846       0.19387726
Cl       7.92673001      11.97310000      12.51879996       0.03251586      -0.31852124       0.15274958
Cl       0.37885099       3.24752003       8.74557996      -0.16735355       0.06613357       0.11202429
Cl       7.27494994       9.24082004       9.66223994       0.35394751      -0.38946022       0.31587355
Cl       3.71163998       8.17731004       4.08053000       0.13938751      -0.34940397      -0.14329174
Cl       8.88275003       9.03228996       2.98433999       0.44493075       0.28031870      -0.00842181
Cl       1.38610003      11.25380001      12.48219996       0.20391781      -0.04151433       0.04446074
Cl      12.53750002       7.73905999       9.86142001       0.17131830      -0.02164689       0.01193615
Cl       5.08663001       1.56466005      12.61059998       0.11777528       0.26627251       0.05223410
Cl      10.95209997       9.98512998      11.87149995      -1.27632610       1.11745534       0.25613352
Cl       1.71433997       1.42938994       4.39049999      -0.40415101      -0.19088896       0.15479411
Cl       4.43583999       5.49084000      12.14520000       0.90606787      -0.31222579       0.27832744
Cl       7.85561002       3.75016998       1.59817998      -0.68198150       0.24369421       0.56514838
Cl       3.63536003      12.85498760       7.66510997       0.02876714       0.09632626      -0.06829193
Cl      11.53110000      12.22289997       1.78530996      -0.24916374       0.03837142       0.13290195
Cl       5.88530005       4.10168006       7.66531006      -0.44180666       0.41824043      -0.07108459
Cl      11.61999999       0.49154204       6.56826999       0.19146621      -0.34794366      -0.37456535
Cl      12.41210007       6.00605003       3.60435997      -0.03555248      -0.23995945       0.54610673
Cl       7.38765998       1.36330995       6.01574000      -0.08947745      -0.29152685      -0.44630122
Cl       9.96853999       4.91838001       6.54677998       0.02971429       0.22061273       0.17344500
Cl       1.04769006      10.07450002       5.57069999      -0.02319754       0.95059084       0.05423891
Cl       4.63508002      12.34140003       2.43073005      -0.01898985      -0.21601189       0.38897187
Cl       9.26950006       3.42207004      11.25429998      -0.40675435       0.59348174      -0.33742538
Cl       5.20186006       9.34468003      12.60640002      -0.20647784      -0.27460652       0.09777830
Cl      10.05779997       9.54123003       6.75138995       0.69222638      -0.03103231      -0.27842557
Cl       0.50158198       7.65277003       0.78693505       0.32661353       0.02341823      -0.06935146
Cl       6.34410002      10.89160002       6.40656002      -0.58912446       0.08326647      -0.02139053
Cl       3.81358999       3.77806004       3.13972002       0.95303492      -0.21016037      -0.40155548
Cl       3.52079999       8.26293000       8.21266006       0.14072231       0.41833589      -0.47535154
Cl       7.24707002       7.72332006       6.20227998      -0.38413834      -0.86755041      -0.50854540
Cl      12.83066158       3.83221003       0.07764624      -0.06488337      -0.03917459       0.11314934
Cl       8.53883001       7.35506999      12.60939995      -0.54021446      -0.49674887      -0.27305397
K        5.10037996      11.31719998       9.99182002       0.08384869      -0.19221078       0.23351427
K        9.69008005       6.38131994       9.71240997       0.09663847       0.11680700      -0.19048770
K        2.50252994       7.35473005      11.24840002      -0.35708133       0.50764472      -0.44222259
K        3.32133995       2.74683001       6.67472999      -0.10911741       0.01339056      -0.08655946
K       10.03259995       1.99935998       0.72461802       0.27606900      -0.52571644      -0.25027979
K       10.26890002       2.53247997       8.54025003      -0.05257283      -0.32576534      -0.27216506
K        2.18995994       5.87701006       2.54770003      -0.07056103       0.45155341       0.00511502
K        6.23601002       7.75275998       2.35440002       0.09347054       0.33206110      -0.18837683
K        7.14143004       4.47967006       5.15815006       0.28032891      -0.24213365      -0.11824274
K       12.32290007      10.89999994       8.21354005      -0.03180777       0.10535306       0.33308506
K        2.71840004       1.42705000       1.31720003      -0.30587322      -0.22229379       0.39292518
K        0.21869297       7.47411998       6.60523999      -0.04625813      -0.19396945       0.17947594
K        5.69752998       2.77413996      10.04400006       0.09225557      -0.17218825       0.25502696
K        1.98208997       9.95666996       2.31258997       0.08044720       0.43736315      -0.02198494
K       12.07559994       3.24657994       5.25764005       0.24710772      -0.02228702       0.00464756
K        9.50436996      12.17949999       4.52320001      -0.13743909      -0.14697965       0.29163945
Li      12.38839995       5.79620998       1.41296999      -0.30719331      -0.31135726      -0.36461643
Li       3.92010996      10.78500004       6.91159000      -0.04767334      -0.59154081      -0.08793284
Li       7.98742003       9.49422998       7.42877998      -0.62493348       0.08239109       0.21063185
Li       5.57745001      12.84325066       5.47093004       0.40811291       0.28334609       0.07101164
Li       5.92818002      12.34450001       0.58177697       0.04737450       0.06573963      -0.00771555
Li       7.87446996       4.54590995      12.64829996       0.52440707       0.47203791      -0.37187053
Li       4.79077997       7.87593005       6.03968002       0.22500410       0.10505263       0.60222606
Li       6.33894006       7.64705000      11.57380004       0.01373643       0.36553525      -0.07602711
Li       9.33039004       7.97671998       5.12712997      -0.17072497       0.20804360      -0.03570667
Li      12.40469995      12.25949997      12.51449996      -0.32433998      -0.23339564      -0.10436503
Li      12.37570003       8.60493003      12.19629996       0.87231212      -0.71096238      -0.59464672
Li       0.65586698      12.69773558       5.40537005      -0.07918037      -0.08025863       0.08271205
Li      10.23200001      10.34040003       1.18069997      -0.15611978       0.09849811       0.03715814
Li       8.62608998       9.59045996      11.69229998      -0.27038182       0.43454001      -0.14988267
Li       5.07163997       3.90689003       0.64651006       0.00445717      -0.59416034       0.53822262
Li      12.53029999       2.68478995      10.90199994       0.10359661      -0.08720837      -0.04140439
64
Lattice="11.58352124 0.0 0.0 0.0 11.58352124 0.0 0.0 0.0 11.58352124" Properties=species:S:1:pos:R:3:forces:R:3 energy=-547.30507988 stress="-0.019384377650257124 -0.002494518886441112 0.0008706166298341733 -0.002494518886441112 -0.016530718377837414 0.0008469400516669929 0.0008706166298341733 0.0008469400516669929 -0.021581046341030218" free_energy=-547.30507988 pbc="T T T" config_type=wetmd 
Cl       3.77744999       3.61369004       9.79959005       0.22544134      -0.77281000      -0.08234714
Cl       9.21872001       7.08711001       1.65678004      -0.04309411      -0.14336524       0.28886896
Cl       1.00046004       1.82769999       4.25159004      -0.47702531      -0.82376451       0.35407114
Cl       8.28067997       8.01569998       9.94389999       0.50231367       1.01398720       1.72614164
Cl       8.71288003       8.53869005       5.13095004       0.16793611       1.19650822       0.19164756
Cl      10.28410001       5.56954999       5.01908994       0.46593417      -0.68386174      -0.18035112
Cl       3.57592000       2.13509004       2.10226003       0.39633657       0.07050631       0.18964462
Cl       9.64705002       5.04881998       9.59010994      -0.35587162      -1.45625104       0.40127310
Cl       7.10213997       3.82302002       0.37067870       0.44778252      -0.46267307      -0.12873181
Cl       0.31745196       7.61188001      10.67229995       0.27651834      -0.18365165       0.60664980
Cl       6.04788004      10.11570006       2.10593999       0.31936740       0.75299533      -0.52126616
Cl       3.72391002      10.11780003      10.20459999      -0.14864178       0.29311279       0.10636289
Cl       6.84030004       5.88635999       3.54235003      -0.67984646       0.39847103      -0.83802565
Cl       4.41929996       5.45423002       5.86733997      -0.27841462      -0.58655687       0.96765261
Cl       9.96149999      10.93739995       0.51767880       0.22240016       0.37268676      -0.10692160
Cl       7.54548002       5.70073001       6.83123002       0.07268306      -0.75543331       0.21084945
Cl       8.23536999       1.77499995       4.91741999      -0.30260839      -0.18905184       0.07609116
Cl       0.53685601       4.51290999       1.80970001      -0.33793740       0.14464417       0.88746037
Cl       5.16707001       0.37087875       6.76374003      -0.14549328       0.85239588      -0.08701045
Cl       5.91416994       8.37586999       7.60893999      -0.32257708       0.76593762      -0.23598175
Cl       2.33941003      10.01739998       6.89208996       0.75736638      -0.25075413       0.58767300
Cl       7.08975997      11.54430002       9.67062005       0.33559241       0.09287639      -0.07767731
Cl      10.62400003       0.34037401       7.25605995      -0.19848331       0.64664853      -0.29248345
Cl       4.62719996       8.50104998       4.47631000      -0.50773495       0.33000682      -0.14402305
Cl       5.49581995       7.09221000      11.31680001       0.55981964       0.25567138       0.54031934
Cl       0.44827880       9.04471004       2.73770003       0.06681058      -0.22170931      -0.05236403
Cl       1.00607006       1.29367997       9.97922996      -0.14377086       0.32780581       0.24961370
Cl       2.89292999       6.91544002       1.70045999      -0.00037122      -0.13964092      -0.21345218
Cl       1.64784995       6.97170999       5.45692006       0.12090535       0.93566174      -0.90302889
Cl      11.04269995       7.96592999       7.52415997      -0.52337549       0.88657859      -1.09559675
Cl       1.35794002       4.72141997       7.59212003      -0.37670007      -0.53408800       0.36011788
Cl       3.38415006       6.98639002       9.08693997      -0.60430823       0.64729857      -0.63606992
K        5.19067004       1.33549996      11.21920004      -0.20879780      -0.38465999       0.38186356
K       11.49979995      10.20950005       9.19712995       0.35943169      -0.18250661       0.91709009
K        2.17470997       4.37731005       4.34789995      -0.10438050       0.21258595      -0.23875795
K        4.31930000      11.53289998       3.97979001      -0.11875922      -0.31228597       0.04999683
K        9.64465003       2.08958997      10.71589998      -0.38561260      -0.16646761      -0.12818306
K        2.17324002       1.56419006       7.22293004      -0.01044902      -0.01947138       0.23631605
K        1.06136006       4.18932004      10.84729997       0.09665910       0.27860087      -1.52716200
K        7.93147005      10.87120001       6.96618998      -0.11845457      -0.08913428      -0.09199930
K        6.25991998       3.36590995       8.33960998       0.66300752      -0.08078734      -0.10802878
K        0.29437874      10.36430003       5.20579001      -0.62982311       0.39735361      -0.20290773
K        5.82098005       3.50660004       4.31143004       0.11512824      -0.80310349      -0.01832641
K        9.98950999       3.41578002       3.34489999      -0.28337531      -0.33672548      -0.67272849
K        4.33781997       4.61699001       0.82501197       0.29414181       0.32687866       0.21099386
K        1.24569998       0.51320096       1.19644998      -0.06848560      -0.34845455       0.20852259
K       10.27339997       3.23623996       6.76550003      -0.05409121       0.20156537       0.34773688
K        8.69719004      10.89320002       3.15842001      -0.11503751      -0.21770410      -0.05243745
Li      11.03090005       6.40770996       8.83488996       0.23994087      -0.40786797       0.75084093
Li       3.73893999       5.10222001       8.25651003      -0.45121180      -0.04120839      -0.91890453
Li      10.90700005       7.56620004       5.18106000       0.35933963       0.41775770       0.43216046
Li       1.58299996       7.16710997       7.66787000      -0.11787714      -0.13830190       0.24051911
Li       5.99900001       7.08049999       5.54117002       0.71085639      -0.44738197      -0.13637245
Li       7.97033995       7.46862000       8.07374998       0.03146405      -0.67417524      -1.51476295
Li       5.54266001       7.99867996       2.02722997      -0.10312027      -0.55324451      -0.04704556
Li       2.91701004       7.82338005      11.14659997       0.04380556       0.32988104      -0.08158905
Li       5.77502000       9.28441004       9.70456000       0.70808665      -0.32071037       1.04939928
Li       3.75355005       7.99830998       6.63769996      -0.15055359      -0.28915769      -0.39614694
Li       8.70991002       6.71155997       4.08051000      -0.18413898      -0.23962093      -0.55847535
Li       4.39171995      10.14730002       7.87898998      -0.29419376       0.51760362       0.18691697
Li      11.42450000       6.78763000       1.96204996       0.46360289       0.08796772      -0.37935294
Li       9.51680004       8.73261997       0.20377881       0.18145194       0.06267502      -0.43952115
Li       2.49755000       7.89287005       3.51295001      -0.09250909       0.49129611       0.69352185
Li       7.91081003       6.08840997      11.56350005      -0.26699878      -0.05137742      -0.34228233
64
Lattice="11.65338798 0.0 0.0 0.0 11.65338798 0.0 0.0 0.0 11.65338798" Properties=species:S:1:pos:R:3:forces:R:3 energy=-546.33635136 stress="-0.019224283521638567 0.0007833818592193004 -1.3609373471641662e-05 0.0007833818592193004 -0.018070656115019002 -0.0009456380590820815 -1.3609373471641662e-05 -0.0009456380590820815 -0.024778880801654" free_energy=-546.33635136 pbc="T T T" config_type=wetmd 
Cl       2.47638002       5.45622999       9.50425001       1.65596585       0.70587240      -0.65154671
Cl       9.12081998       6.12917003       1.71682000      -0.50567315      -0.73886687      -0.84909773
Cl      11.03119996       2.05958996       5.38544999      -0.30301965       0.60645881      -0.07060322
Cl       7.34251997      10.24380000       7.89099005      -0.39458835       0.41351171      -0.28083811
Cl       8.98331000       8.92686006       4.96541003       0.51198755       0.10398618      -0.05379765
Cl       6.46584002       6.37938004       4.52473006       1.32298135      -1.03837282      -1.35987016
Cl       3.46333004       1.98907997       4.86630997       0.35307888       0.24722868      -0.05220845
Cl       8.38007004       7.95390005       9.87996001       0.20345990       0.38410440       0.95244040
Cl       6.71338000       0.91331505      11.47209995       0.09249660       0.03276919       0.01351071
Cl       0.91656297       8.49163003      10.71640000       0.34285172      -0.09064042      -0.13592101
Cl       6.81285997       8.51686998       1.75107001      -0.18105576       0.40468649      -0.04744519
Cl       2.76772999       8.77656002       1.77670000       0.72845026      -0.48979538       0.06847057
Cl       4.14167002       5.47572005       1.31141005       0.22473422      -0.16919640       0.09444104
Cl       3.03982995       6.57296006       5.38140999      -0.06561558       0.13763777      -0.09985316
Cl      10.59590001       9.27496004       1.88981000      -0.30364806      -0.79827936       0.34304592
Cl       9.07880998       6.36677002       7.19588003       0.48071454       0.08781065      -0.69531565
Cl       7.69199995       2.05447995       3.24688001      -0.21266453       0.41161846       0.09853253
Cl      10.70760006       0.70840503      10.83160003       0.36931134       0.47488867       1.14333302
Cl       7.32141999       3.41585006       7.49837995      -0.42705158      -0.48223090       0.06015413
Cl       5.78399003       6.93568003       7.49545006      -0.14296029      -0.12449179       0.82551646
Cl       3.51732997       9.87710004       7.83201004      -0.08110120      -0.07355931      -0.05358841
Cl      10.81560005       9.96741997       8.24833001       0.57282907       1.18962845       0.23720724
Cl       1.12762995       2.10400999       8.46751998       0.25873344       0.92992904       0.73410228
Cl       5.24651003       9.00579999       4.57957999      -0.29955739       1.59568058      -0.30719220
Cl       6.90192005       5.04209002      10.80039995      -0.43518100      -0.54691628       0.15071946
Cl       1.36773997       9.94708003       4.59428004      -0.18013015      -0.35223296      -0.41153465
Cl       2.92931004       1.39772996       0.52581205      -0.34177516      -0.05454299      -0.80664083
Cl       0.80713603       5.80904994       1.37793004      -0.02255970       0.27587605      -0.20104860
Cl      11.05859999       5.96676002       4.39120996       0.68607397       0.06187344       0.73069574
Cl       0.61451205       7.38541003       7.25571004       0.08692743       1.21659275       0.58448047
Cl      10.50479999       5.52827997      10.14800006       0.00456550      -0.41538831       0.08577309
Cl       4.68109999       7.94473000      10.44879999      -0.48343275       2.53029634      -0.15532566
K        4.83699995      10.29599995       0.40943398       0.14951215       0.23316031       0.05149484
K        1.64772998      11.16479999       9.84994998      -0.26002957       0.17568468      -0.26296761
K        2.24474004       4.70394996       3.67563997      -0.55786127      -0.98533336      -0.97810664
K        6.10833004       0.65591199       6.03416998      -0.14796465      -0.30598940       0.00543041
K        9.62370003       1.85753000       8.52625003       0.15920725      -0.15859677      -0.46726273
K        0.70736694       4.83301997       6.73691996      -0.01497236      -1.45724660       0.44771796
K        1.12401006       3.81203006      10.91850005      -0.76776761      -1.32565704       0.88676648
K        9.35703998       0.07681202       4.21826996       0.54058901      -0.74813133       0.03696074
K        5.02306995       2.58738006       9.87120995      -0.12701802       0.34859370      -0.12450221
K        1.41850003       0.38661198       6.47257999       0.28551347      -0.80623380      -0.57205580
K        5.10473001       4.42794995       5.79486999      -0.30398542      -0.37959123       0.54962039
K        9.28587997       3.32899002       0.74852298      -0.21323018      -0.06691630      -0.20893597
K        5.04407005       1.57326996       2.23345000       0.33253048       0.31891190       0.54754232
K        1.13042000      10.98070000       1.50774004      -0.40739510       0.49738291       0.33426337
K        8.90488002       4.32619000       4.95728004      -0.50960817      -0.31298089       0.04193894
K        8.79748997      10.48860004       0.07711198      -0.52308322      -0.23044232      -0.52567008
Li       9.28290999       8.73232003       7.61572002      -0.85789437      -0.10298654      -0.30231734
Li       4.86571996       6.10558998      10.86160005       0.18697009      -3.01460980       0.24179109
Li      11.59300001       8.19066998       5.10932005      -0.06741815       0.10271452       0.54310671
Li       2.44411995       7.54566998       8.72173002      -0.29332340       0.42628134      -0.15362186
Li       7.54433998       7.66152004       6.07765005      -0.61625704      -0.17612035       0.04802117
Li       5.45359003       8.97312995       8.58665000       0.66226603       0.09991308      -0.22692304
Li       8.55382998       7.60287996       3.09241004      -0.93386763       0.84019482       0.66687588
Li       2.68170002       7.13761006       0.17440798      -0.58042612      -0.18196701       0.14677573
Li       7.82468997       5.72149000       8.82588998      -0.12941262       0.05798508       0.19554344
Li       3.15249002       8.52526998       3.94487006      -0.51078943       0.42435844       0.36584239
Li       7.27258997       7.08608006       0.16641201       0.57838319      -0.21871528      -0.36799372
Li       4.31313996       8.05561001       6.27476000       0.05946433       0.42975675       0.43393810
Li      10.88620000       6.94957996       2.61009997       0.88121013       0.43478787      -0.92973146
Li      10.81799995       7.71945999       9.36162000       0.24141179      -0.07857389      -1.08410423
Li       5.09285999       6.97077002       2.78154997       0.43927080       0.43241786       0.04796581
Li      10.79699996       7.52235004       0.00961206      -0.20917170      -0.70798768       0.72200128
64
Lattice="10.96110423 0.0 0.0 0.0 10.96110423 0.0 0.0 0.0 10.96110423" Properties=species:S:1:pos:R:3:forces:R:3 energy=-538.5591028 stress="-0.07062950020048127 -0.00589319109230632 0.003331338955211398 -0.00589319109230632 -0.04960378840774557 -0.000878159886827878 0.003331338955211398 -0.000878159886827878 -0.0639856630031285" free_energy=-538.5591028 pbc="T T T" config_type=wetmd 
Cl       1.59910004       6.50701996       9.55667998       0.08897126      -0.54674905       0.57908719
Cl       6.67159995       5.96532997       1.36272997       0.33049153      -1.82957170      -0.44623525
Cl       0.86190199       1.98288995       7.17878000       0.12238282      -0.10152181       0.14674234
Cl       4.84072002       8.85999000       7.07774997      -0.18770849       0.66234042      -0.41168426
Cl       6.62872998       9.12035996       4.41402001       0.06816869      -0.05767733       0.36775937
Cl       5.05559997       6.13445005       4.40311996      -0.91534893      -2.00457781       0.91731780
Cl       4.17326002       1.65527000       3.66994003       0.99398968       0.17323136       0.24737017
Cl       6.93923000       8.92568001       9.50287005      -0.02376455       0.44391845       0.08322479
Cl       9.87011001       1.24009998       0.89599574       0.17153971       0.39503180      -0.22888484
Cl      10.13050003       8.70075004       9.94552997       0.60229390       0.54389562      -1.22592173
Cl       5.01707004       8.30682001       1.88306005      -1.44755291       1.90461217      -0.66985888
Cl       1.03684001       9.07960000       1.19623003       0.79287471       1.52747125       1.32008990
Cl       2.58174002       6.25433998       1.67210998      -0.40736051      -1.58572661       1.10205142
Cl       0.77126900       5.16215001       4.48200001       0.30822948      -0.20535121      -0.72227020
Cl       8.17462997       8.90867999       1.76228995      -1.46076922       1.06322558      -0.24310131
Cl       7.24989005       6.13796999       7.29152997      -0.44595948      -1.08962040      -0.22299608
Cl       8.74738997       1.87794998       4.27862001       0.37690299       0.96712262       0.46762893
Cl       2.38560004       2.61315005      10.76699995       0.07922531      -0.35406278       0.36351472
Cl       8.23919997       2.53263997       7.67885002      -0.39971285      -0.35675697       0.46805669
Cl       2.76549997       6.22222997       6.67300999       0.38732187       0.56437826      -0.14813045
Cl       1.34964000       9.39541999       7.51285001       0.49899680       1.11456912      -1.09351852
Cl       8.83146997       9.20528002       6.93711001      -0.42016644       0.62823602       0.03722905
Cl       4.72901003       2.70808001       7.21167000       0.12346465      -1.23998027       0.25335231
Cl       2.49278002       8.63167995       4.11686996      -0.34874904       1.11478447       0.13950420
Cl       5.02326997       6.49474001       9.56628004      -1.37931159      -0.10196772      -0.27597802
Cl      10.33359998       8.32296999       4.39012996       0.25741115       0.74109946      -0.10141185
Cl       6.37223005       2.19298001       0.12159580       0.47427900      -0.17688356       1.04174450
Cl      10.03230005       6.37774995       1.85403998       1.07832519      -0.23147255       0.44050384
Cl       8.08937998       5.93419002       4.37846000       0.13414990      -1.86151854      -0.49926583
Cl      10.36739997       6.36052995       7.08045999      -0.18663116      -0.78820011      -0.16896310
Cl       9.00035998       5.88029997      10.20880002      -0.67186331      -1.14419036      -1.43248562
Cl       3.35772997       9.38237003      10.20359996       0.20479064       0.35235155      -0.28430681
K        8.59712003       0.21129578       9.13362005       0.42818527      -0.08247913       1.00722332
K        5.13492000       0.39689577       9.49713005      -0.39209704      -0.13105465      -0.74552756
K        8.63325002       4.02617000       2.19673003       0.11925786      -0.50613480      -0.54539675
K        6.97469005       0.41539582       6.00000005      -0.63787387       0.05966282       0.40666166
K        0.87851299      10.94550000       9.85242000       0.26799125       0.51906938       0.17759233
K        2.54721999       3.96962999       8.16323996      -0.05647299       0.48093239       0.65420230
K        4.50574001       3.92077997       1.60342003       0.24790848       0.58296017      -0.14975319
K       10.54249999       0.15859578       5.60362997       0.19699203      -0.95770404      -0.45539983
K        6.44213000       4.23963005       9.23766000       0.50048198      -0.18033695       0.29648057
K        3.17575996       0.12759580       5.90097996      -0.04990545      -0.12392534       0.32156834
K       10.61240005       3.59636000       9.39339000      -0.10682752       0.26245710       0.69729757
K        1.89119999       3.09456997       2.93493003      -0.93282797       0.53577241      -0.29155297
K        6.53596001       3.81358004       5.55354003       0.08889035       0.12585979      -0.84979846
K        7.31568002       0.50839574       2.54225998      -0.85709159      -0.48172424      -1.19179504
K        9.85245003       3.98137997       6.10944996       0.16415188      -0.46335101      -0.96152808
K        2.94482999       0.05409579       1.70961000       0.28925649      -0.53953080      -0.19166243
Li       6.87557996       8.12739002       7.32626001      -0.72132422       1.73212312       0.07529635
Li       3.11380999       7.95763003       8.29473002       0.08025984      -0.09247870       0.25041423
Li       8.37618999       7.79103001       3.62514002       0.55054849       1.06690511      -0.66442173
Li       0.56679574       7.60700995       8.00851005       0.40236776       0.37054484       1.52701624
Li       8.49664003       7.96425996      10.85320005      -0.54137905      -0.92144240       0.06661342
Li       1.25357995       7.28222005       5.31797000      -0.07190280      -0.27575683       0.79891275
Li       6.28194004       7.12528005       3.06602999       0.73529921      -0.04345978      -0.08951103
Li       8.78308996       7.35769997       8.29075004       0.77554371      -0.09881142       1.56628026
Li       3.39410998       7.26605998       0.08639575       0.49944810       0.49028050      -0.67214916
Li       4.49088004       8.07161006       4.07836996       0.02992300       0.97395460       0.02517388
Li       5.00375997       6.51283000       6.74375997      -0.44514022       0.06895632      -0.08722418
Li       0.91029395       7.13864997       3.02423004       0.22723077      -0.23151972       0.00011813
Li      10.10419996       8.48632004       1.66295001       0.48172282       0.43749193       0.36953222
Li       8.78824004       7.16678000       5.88264006       0.47897688       0.55088326      -0.07388205
Li       0.76082000       7.16294997       0.61867399      -0.01919907      -1.54077049      -1.27401759
Li       6.14870003       7.67842001       0.11819578      -0.53130519      -0.10781286       0.20307203
64
Lattice="11.4181132 0.0 0.0 0.0 11.4181132 0.0 0.0 0.0 11.4181132" Properties=species:S:1:pos:R:3:forces:R:3 energy=-547.37558317 stress="-0.027135499548290504 -0.0007873331464355867 0.0015739989944059981 -0.0007873331464355867 -0.02425864795143065 0.000743248549841778 0.0015739989944059981 0.000743248549841778 -0.026012294986048522" free_energy=-547.37558317 pbc="T T T" config_type=wetmd 
Cl       0.05108681       4.28560998       6.96494001      -0.26190366      -0.56821336      -0.12856800
Cl       5.91592004       6.15536004      10.14099998      -0.04006845      -0.19739519       0.55742549
Cl       2.86665000       3.40425998      10.71290004       0.46251591       0.48874434      -0.73954352
Cl       6.25861998       7.35215004       6.41111996       0.25649344       0.11469015      -0.17845721
Cl       5.14968997      10.54100001       5.10524999       1.00270287      -0.20872851       0.71501549
Cl       3.30505999       6.82747004       1.07366996       0.36327120      -0.15859666      -0.24637631
Cl       5.39419996       2.65880996       7.40231997      -0.13828966       0.33147652       0.23061970
Cl       0.83520198       2.04113000       2.03132002      -0.20704312      -0.81031070      -0.08118210
Cl       0.64188705      10.91330003       5.47274996      -0.92494176      -0.12161493       0.55367721
Cl      10.08099996       8.92305999       3.50712999      -1.29547854      -0.12209413      -0.00830258
Cl       2.20514994       9.96342000       2.34691998      -1.02594540      -0.51359216      -1.10147179
Cl       9.04499002       8.18591002       0.26544704       0.30421601      -0.40075522      -0.06222464
Cl       4.66716005       9.49664000      11.08979997       0.64520710       0.46002711      -0.14186774
Cl       8.99955998       1.27642003       6.47078006      -0.06108917      -0.63200725       0.44610315
Cl       6.08528000       8.40930998       2.67909002       0.50847295      -0.58886040       0.22987943
Cl       5.22628005       5.25579998       3.94179997      -0.01784653       0.20561177      -1.30666440
Cl       8.10057995       1.36883995       3.23971995       0.15442297      -0.15014341      -0.96823735
Cl       2.48977999       3.09368000       4.83657003       0.06579082       0.36303153      -0.21844651
Cl      10.04700002       1.31960002      10.79080001      -0.17741838       0.13161249      -0.72990518
Cl       3.07387003       7.55560997       8.23450997       0.29003254      -0.42602746      -0.22118603
Cl       2.97967002      10.87569996       7.95438003       0.12357865       0.14229452       0.14889044
Cl       2.65940005       7.94080002       4.82668000       0.29864172      -0.00096951       0.46161527
Cl       6.82599995       1.83073996      11.06809996      -0.21556902      -0.01457013      -0.04651769
Cl       0.56879000       6.08004000       9.91265005       0.08052249       0.91728426       0.80793935
Cl       8.80786995       5.87412998       8.54260001       0.15576133       0.11531528       0.04631310
Cl       0.41928682       6.31944004       2.20946999      -0.54067868      -0.43432775      -0.23322037
Cl       4.45261998       1.45332999       2.34097000       0.57315284       0.44947189      -0.64437317
Cl       8.17210998       9.27888002       8.45989998       0.27725162       0.22504644      -0.13120055
Cl       8.82225997       5.80967998       4.39127000       0.33308784       0.37235375       0.17453927
Cl      11.08329998       8.23295003       7.14322003      -0.04970835      -0.48947189       0.20950130
Cl       9.20624998       4.44710994       1.17653997      -1.39843247       0.81249283       0.19207698
Cl       0.91661804       9.61376997      10.71480002      -0.08965008      -0.32451531      -0.54806503
K        5.67579004       2.59254997       4.51861006       0.51693903      -0.61292584       0.74867857
K        7.19910998      10.55870002       1.37572005      -0.08861668       0.69793821      -0.60431826
K        1.54730997       1.94715003       7.18495997       0.39486374      -0.32851092       0.61657114
K        6.47337996       0.19558680       8.57447995      -0.55404687      -0.03288048      -0.08218297
K        0.03478814       3.76213003      11.37850000       0.81489086      -0.36071733      -0.77600084
K       10.67419995       2.02011999       4.30001998       0.08922281       0.43622326       0.61144935
K        5.78021006       4.12897996       1.26049005      -0.05523250      -0.18275947      -0.40345925
K       10.88670005      11.11899997       1.43300004      -0.01808663      -0.99198288       0.49384782
K        8.33146003       2.96245002       8.54113004      -0.28761281       0.54920297       0.34689878
K        0.90175303       5.68081995       4.67099996      -0.10607919      -0.42491850       1.27716574
K       10.63709998      10.96960001       8.44793997      -0.06633684       0.32725038      -0.26186740
K        3.98401000       5.26002000       6.30017997      -0.23836597      -0.09185881       0.99443225
K        2.37711997       4.18773997       2.01010003       1.31711847       0.38264511       0.50928175
K        7.88648005      10.28099998       5.04412997       0.37670620       0.23159775       0.12749427
K        3.06706997       0.61467403       0.13318681      -0.24817356      -0.24613389      -0.39534998
K        2.95064997       0.16598682       4.26292996      -0.46606228       1.43998105       0.35166218
Li       3.90054999       8.64347002       2.65554998      -0.40019574      -0.36756497       0.20242905
Li       0.68320098       8.91785995       3.95517995       1.26443326       0.52241579       0.19894132
Li      10.76999997       8.20401995       9.66240999      -0.26110136      -0.25228611       0.24607930
Li       6.76304996       6.80199999       4.13619997       0.05207842      -0.14849431       0.25314584
Li       6.98952001       7.36473999       8.57747001       0.13863993      -0.03173492      -0.05486832
Li       1.05525997       7.43589002       0.65650805       0.80289092       1.01445310      -1.35398787
Li       5.42365995       7.55834997       0.64608686      -0.02187912       0.02798111      -0.50585308
Li       9.72775003       6.62463000       2.25347003      -0.88796230       0.32081701       0.29313524
Li       3.09611000       9.34547000       9.55098005      -0.14633844      -0.04074414       0.45717942
Li       8.95215003       6.04420003      10.82889997      -0.20936945       0.05291509      -0.03850159
Li       8.59143996       2.31318996       0.99786203      -0.15411455      -0.43618485       0.03587318
Li       3.67417002       5.85838006       9.70582999      -0.30723858      -0.27603615       0.62326474
Li       1.69133005       9.10532995       7.19528000       0.34691117       0.22702411      -0.68522438
Li       4.52177002       8.80531001       6.32491001      -0.31590422      -0.06569182      -0.01682904
Li      11.05499996       6.03700000       7.99535998      -0.41787730       0.31241489      -0.07425093
Li       9.23144998       7.72613001       5.97346002      -0.31515944      -0.61869330      -0.17262203
64
Lattice="11.52634615 0.0 0.0 0.0 11.52634615 0.0 0.0 0.0 11.52634615" Properties=species:S:1:pos:R:3:forces:R:3 energy=-546.99353188 stress="-0.022183957828727292 0.0014958607489874067 0.00014160005024085295 0.0014958607489874067 -0.022230263572449206 -0.0010606170492935458 0.00014160005024085295 -0.0010606170492935458 -0.026658185568001518" free_energy=-546.99353188 pbc="T T T" config_type=wetmd 
Cl       7.48667995       5.41264997       6.48286003       0.13806046       0.05704700       0.49098158
Cl       5.89516000       8.45655997       1.03479997       0.03197721      -0.18522703       0.09825433
Cl       3.06132999       6.91967005      10.93349995      -0.24660038       1.10165319      -0.83316032
Cl       4.97550004       7.97837002       7.55956000      -0.30283884      -0.16504013      -0.87404881
Cl       8.33801000       2.14068004       5.56516002      -0.00255024      -0.54316121       0.25876641
Cl       0.68136105       6.60306000       1.87428001       0.24427405       0.11209520      -0.30053582
Cl       1.50040004       9.37325005       6.12441994      -0.00539377       0.61463861       0.82351001
Cl      10.48100003       2.50813004       1.49854003      -0.48607979       0.40749116       0.20460185
Cl       0.67870895       9.16235998       9.78697003      -0.31135399      -0.22222954      -0.45536547
Cl      11.39700003      10.37239995       2.59227997      -0.07171354      -0.46365720       0.29362447
Cl       2.71899002       9.77228996       1.20780005       0.03500015      -0.48308820      -1.46992054
Cl       9.42691003       8.51644003       0.31645387      -0.03731990       0.37377623       0.27748770
Cl       4.42489997      10.24800002       9.37857994       0.40217438       0.52695578       0.61898085
Cl       0.75165390       3.81441004       5.20281999      -0.35115705      -0.36518452      -0.06506469
Cl       6.46689996       7.77941998       4.24224000      -0.23251875       0.34225869       0.48822832
Cl       3.84843997       5.18071003       1.64871000       0.11686501      -0.77623865       0.64753293
Cl       6.80685997       0.94383301       1.71610996       0.99176604       0.24570494      -0.64941498
Cl       4.82495005       2.88565004       9.88746997       0.43609141      -0.35730040      -0.42489039
Cl       9.04287995       1.17150002       9.50664998      -0.29521616       0.09169633      -0.30637724
Cl       1.61416000       6.07315998       7.89114001       0.32565667      -0.39785589       0.14123506
Cl       4.89094000      11.15500001       5.34552998       1.01864578       0.01934346       0.57676370
Cl       3.16604996       7.22262001       4.24456003      -0.07586088       0.95445465      -0.53531923
Cl       8.46087001       8.56276995       8.64285004      -0.17863680       0.24867187       0.26061432
Cl      10.22939995       5.51674002      10.20879995      -0.05809531      -0.65418400       0.08519237
Cl       6.11504003       6.19873998       9.77869999       1.32159064      -0.65341628       1.54250716
Cl       9.42683995       7.24935998       3.50609999       0.27854669      -0.33315928      -0.29223667
Cl       2.87842002       1.52562994       2.90790003       0.41903875      -0.10404466       0.02690556
Cl      10.50429997       6.99827996       6.41812000       0.26403994      -0.24600205       0.62554788
Cl       9.12680005       9.83598005       5.12725995       0.63966145       1.04053741       0.89978274
Cl       4.57248999       4.57270000       5.32038999      -0.37846840      -0.90867505      -2.02707352
Cl       7.09949996       4.92287996       2.00337002       0.45812297       0.31204760       0.38546490
Cl       1.77010997       0.93030396       9.94327005      -0.26384099       0.49130688       0.05835114
K        5.73124002       2.28695997       3.94590998      -0.35340461       0.33294199       0.02070273
K       10.80849995       0.17915388      11.50459997       0.46146385      -0.49024998       0.26407769
K        2.27116001       4.33059002      10.45110000      -0.32887171      -0.65276457      -0.04719429
K        6.99283999      10.39410003       3.52420005       0.08071810       0.07020010      -0.35903963
K        7.86486997       3.41810003      11.13650000       0.01847372      -0.05785260       0.13783008
K       10.77840005       1.13886006       4.23688002       0.17948295      -0.04637862      -0.20317930
K        4.46399999       0.70499306       0.39194303      -1.15215158       0.16179226      -0.24465763
K        2.82068006      10.39440006       3.77907004      -0.93422934      -0.16694804       0.06138158
K       10.23920000       3.94189996       7.50545003      -0.01630973       0.17822811       0.09961601
K        9.19736999       4.53725994       4.39662999       0.58006603       0.21105261      -0.83062773
K        7.21165995      10.37320000      11.00540003       0.29749805       0.32546764      -0.42286540
K        4.47790998       5.06834003       7.75922997      -0.03209163       0.06436030       1.79637923
K        1.44771000       3.73291002       2.14514004      -0.35210505       0.30663268       0.33117935
K       10.17300004      10.53430005       7.80082003       0.83957710       0.17341547      -0.38964668
K        6.76020997       1.02115001       7.70533001      -0.38836323      -0.06603453      -0.00957099
K        3.19159004       0.50113003       7.38185002      -0.64531434       0.27609098       0.19853474
Li       7.98809998       7.46317001       1.84828995      -0.34076209      -0.13485793       0.10296245
Li       2.63219998       8.11961997       8.13599995      -0.28604173       0.15660623      -0.26980846
Li      11.19270004       7.04120996       8.99699000       0.37740610       0.40499342      -0.91693365
Li       4.60545004       8.63418995       5.36195998       0.17563358      -0.26744273       0.31544133
Li       7.20105998       6.96541997       8.02247005      -0.65450706      -0.23954572      -0.40990052
Li       2.48727001      10.38809999      10.46619997      -0.19871035      -0.05363150       0.31502730
Li       8.70513000       7.10063000      10.35489996      -0.48059475      -0.15915182      -0.11324579
Li       5.80564997       5.81018005       3.80743003      -0.60726000      -0.62046620       0.08319932
Li       4.76620004       7.92720999       9.96300004       0.22693745       0.49639479       0.06807584
Li      10.76490005       8.22780995       2.13767996      -0.02378605       0.41656972      -0.19335398
Li       5.57806998       6.23505004       1.01348995       0.07403477      -0.06335609      -0.75574036
Li       2.96837001       7.37575005       1.79062998       0.13501261      -0.15802786       0.35233493
Li      11.34020004       8.49572995       4.79150002      -0.34418805       0.06212762       0.16504435
Li       2.20372996       5.56557001       5.24775994      -0.04325308      -0.37120508       0.41911003
Li       1.16742995       8.01040001       0.13945380       0.08765932       0.13272622       0.04160083
Li       8.50530005       7.75249997       5.66548003      -0.17588611      -0.30290175      -0.17765903
64
Lattice="11.43816999 0.0 0.0 0.0 11.43816999 0.0 0.0 0.0 11.43816999" Properties=species:S:1:pos:R:3:forces:R:3 energy=-546.16139223 stress="-0.02938735536316222 -0.005561540253627449 0.0024068015348236442 -0.005561540253627449 -0.026629528989566942 -0.0016877437761198919 0.0024068015348236442 -0.0016877437761198919 -0.027318020474013403" free_energy=-546.16139223 pbc="T T T" config_type=wetmd 
Cl       7.40607003       5.36286996       9.34103002      -0.65784830       1.22606808      -0.93777728
Cl       1.76973002       1.24979004       2.20246996      -0.16311669      -0.22010187      -0.10439145
Cl       5.21165003       6.04455000       1.30031004      -1.38255092       0.39692794       0.12469539
Cl       2.94041002       9.90072999       7.41175995       0.47595059       0.88397655      -0.55067524
Cl       7.29127004       7.92594996       4.43983000       0.35543295      -0.32243955      -0.12654514
Cl       3.90547004       9.16894996       3.99111002       0.64448482       0.80074229      -0.22375904
Cl      10.30499998      11.31950001       5.65289002      -0.28818151       0.06226311       0.29314973
Cl       9.89669998       8.61618999       1.78410002      -0.40230814       0.27151385       0.72022801
Cl       4.40473003       8.49588000      10.43079995      -0.33281801      -0.52948197      -0.26664113
Cl       2.04975998      10.76489997      10.93930004       1.51022216       0.33924621       0.29906861
Cl       7.12420001       1.86884004       9.40310005       0.37645780       0.30333814      -0.25251464
Cl       3.70168005       5.46795997       4.53470996       1.17482915       0.36655582       1.43146959
Cl       5.53190998       7.65290002       7.11585998       0.11686120       0.05155941       0.27090223
Cl       9.42622997       4.27708005       4.79287998      -0.34862714       0.57335416       0.39281855
Cl       6.35926004       9.53860999       1.52783994      -0.43243551      -0.85642321       0.59917698
Cl       9.30575997       7.73160996       7.11137999      -0.47227519      -0.05260062       0.00930617
Cl       7.50967000       8.92031994       9.60314003       0.89157377       0.96464303       0.71577807
Cl      11.23649995       3.27986997       8.47041005      -0.00323221       0.49467752       0.38111240
Cl       3.19422003       2.19863005       9.58301995       0.35826399      -0.70204124      -0.58601579
Cl       2.57801997       4.67770996      11.00600001       0.92968840      -0.01364478       1.46967767
Cl       6.71269995      11.09620005       6.49675004      -0.48563878       0.03786366      -0.40880157
Cl       1.22747006       8.08786000       5.40081997      -0.52909722      -0.42292605      -0.36922961
Cl      10.29350005       6.30912997      10.84180005       0.93674738       0.55828100       0.24962368
Cl       9.45243002       1.28222995       1.25273000      -0.83016915       1.12444369       0.67446621
Cl       6.15644001       2.95044003       5.93948995       0.01885455      -0.19605033      -0.55525082
Cl       0.20233002       5.22110002       2.49082005      -0.07658657      -0.25767422       0.47138260
Cl       5.03203999       1.86650002       1.41488001       0.31708330      -0.52435972       0.21015540
Cl       2.45859998       6.42314004       8.13861001      -0.05318685      -0.19596094       0.90991190
Cl       0.12133005       8.96206000       9.48804997      -0.36730668       0.06214337      -0.92143043
Cl       1.94100003       2.24322999       5.53361004      -0.13110730       0.05490344      -0.07677664
Cl       7.95751999       5.47878002       1.74211004       1.86781792       0.83213896      -0.35330994
Cl       2.07322996       7.90310004       1.74029000       0.89390178       0.69435279      -0.38520635
K        6.40959005       3.83453005       3.09300001      -0.20064215      -0.41881135       1.09756853
K        8.99462996       2.15034004       6.97030000      -0.50843462       0.09643137       0.00024120
K        1.17023002       5.03574996       6.07657997      -0.76809864      -0.29341563      -0.38429564
K        5.01405004      11.37599999       9.11802997      -0.44697887      -0.32521715      -0.30046019
K        9.22837994       3.89609005      10.70940003       0.40531908      -1.50476653       0.52709014
K        0.94987699       0.64033003       7.84959994       0.32581303      -0.01693348       0.19924414
K       10.81389995      10.81890003       0.13783006       0.76427086      -0.70781601      -0.66329975
K        4.09995999       0.93435197       4.22919004       0.16056981      -0.25444369       0.31183986
K       10.74729995       2.29508997       3.46682994       0.80308908       0.22509289       0.32500814
K        7.97611994      10.60119997       3.89903995       0.46604572       0.45907678      -0.42822089
K        7.42595003      11.42020005      11.42450000      -0.21966500       0.21319200      -0.50901637
K        2.96594996       3.87134998       2.63169998      -0.81721859      -0.44967536      -1.09315310
K        0.45756203      10.42329994       3.61033997       0.79122018      -0.60825263      -0.32705925
K        5.93502998       3.92010003      11.07989997      -0.66235903      -0.49167740       0.28477351
K        7.48025000       5.66245004       6.36470998      -0.02989743      -0.38680426      -0.02842433
K        4.81575998       4.11719994       8.12593995      -0.57343724       0.18937171      -0.18327375
Li       5.89608004       7.49208999       2.79185003      -0.19353430       0.39532438       0.00192119
Li       3.03610003       1.58606995       0.30353003      -0.44449941      -0.35890915      -0.31321019
Li       3.89647003       9.52142003       0.83242895      -0.45440936       0.21963392       0.47683934
Li       3.38608001       7.78873996       6.71512999      -0.62909049       0.17687356      -0.46867089
Li       3.27897996       6.56150004       0.30632998       0.02766570       0.54470424      -0.12428967
Li       2.44924996       8.95434999       9.23307005      -0.34992645      -0.33736657       0.73977722
Li       9.58783004       7.90142000       9.55525997      -0.00256474      -0.12371460      -0.74961338
Li       2.94725999       7.23119997       3.73237998      -0.91303175       0.43937988      -0.12425313
Li       6.05631004       7.38655995       9.44629001      -0.25640320      -0.71172160      -0.31240778
Li       9.47756002       6.66554998       3.41627003      -0.04433774      -0.65650540      -0.11123559
Li       0.15322996       7.16014995       1.52907996      -0.72817895      -0.60850133      -0.77874256
Li       8.00571998       7.66669995       0.66324400       0.02653297      -0.25827077       0.00742007
Li       7.24990996       9.17266999       7.25191999       0.86597441      -0.72264691       0.43684219
Li       0.99509196       4.98595995       9.81040002      -1.24597882       0.32460924      -1.13049698
Li      11.23419997       8.52183000       7.15172002       0.88047935       0.35221607       0.04608562
Li       5.55569005       9.32525999       5.37092998       0.06002296      -0.20574471       0.47087416
64
Lattice="11.55336758 0.0 0.0 0.0 11.55336758 0.0 0.0 0.0 11.55336758" Properties=species:S:1:pos:R:3:forces:R:3 energy=-547.18910092 stress="-0.018070309705021007 -0.001089087431027879 0.002476683830287483 -0.001089087431027879 -0.01962983459607352 -0.0008824324806924558 0.002476683830287483 -0.0008824324806924558 -0.02057745758612932" free_energy=-547.18910092 pbc="T T T" config_type=wetmd 
Cl       7.24042002      10.54910000      10.59669999      -1.59024918      -0.47501756       0.32893297
Cl       0.33943239      10.22899997       9.97384004       0.04399728      -0.65742848       0.15496751
Cl       5.24548005       8.17397995       6.77168002      -1.57875247      -0.56513478       0.28377064
Cl      10.79700003       0.20383237       6.47917002      -0.06091550      -1.00655883      -0.13777390
Cl       6.47863995       6.67277003       9.99078004      -0.55806144       1.35962201       0.42537679
Cl       5.55948002       6.12329002       3.81672003       0.21546612       0.51072828       0.88803546
Cl       0.72493696       1.74964996       2.71893995      -0.04635287      -3.03686497      -0.46614238
Cl      10.28000000       8.02220001       3.96476996       0.09495491       0.27940300       0.65229983
Cl       2.33774005       6.98689003       9.83838004       0.13105066      -0.65378492      -0.38029535
Cl       4.01589003       8.50436005       0.83171399      -0.13009271      -0.06541710       0.51049027
Cl       9.71155999      10.59230000       1.01440000      -0.21199013       0.27065767       0.67016591
Cl      10.10609998       3.45635004       5.23826994       0.33111688      -0.44259512       0.41055809
Cl       2.34027001       6.09020995       4.94794005      -0.98657715       0.03197305       0.05681731
Cl       8.15324997       5.79435004       6.63680000       0.43300350       1.29978539       0.20864517
Cl       7.22706999       3.05426997       2.93403003      -0.36508640      -1.29409981      -0.38848790
Cl       0.48506005       7.97496996       7.04784005      -0.25055763       0.18710281       0.30099071
Cl       4.85961999       4.69775003       7.70247997      -1.03693154       0.14715324       0.24621947
Cl      10.28169996       3.64628001       9.41055999      -0.05563798      -0.64448128       0.15169388
Cl       1.50285998       2.32176001       8.47315995       0.14392639       0.94854072      -0.56921541
Cl       3.31473002       4.86484997       1.57024002      -0.62234780      -0.42083031      -0.32747730
Cl       6.54942997       9.56485995       3.72399004      -0.03066763       0.29116271      -0.48575455
Cl       7.88659998       9.46956003       6.75645003       1.75241460      -0.38923439       0.39315287
Cl       9.72763997       7.24155005      10.04849998       0.05943794      -0.22792866       0.09341793
Cl       9.78255994       3.66136004       1.00180001       0.12624658      -0.07126656       0.76591681
Cl       7.28358005       1.60180995       7.90294996       0.66725625      -0.05421645      -0.27863397
Cl       0.36863238       6.43290005       1.62689000      -0.38250861       0.54569084      -0.40057691
Cl       2.63427006       0.96717596      11.01560003       0.58142369      -1.14924386       0.59819857
Cl       5.76981000       2.94767999      10.94940004      -0.02870251      -0.44645455      -0.05893105
Cl       2.84202999      10.66370005       7.21355994       0.36675379       0.61088288       0.46777154
Cl       4.13578002       2.00255999       4.87526001       0.86701084       0.15272148       0.14664904
Cl       8.08250998       7.16948997       1.66180000       0.07230824       0.58786872      -0.86049494
Cl       2.31702995       9.45860005       4.13578002       0.05604241      -0.07735057      -0.57702467
K        9.02910003       1.49752994      10.87720004      -0.67049718      -0.06508669       0.52379406
K        9.53998994       1.14926003       3.58812995      -0.31948500      -0.31312880      -0.35661667
K       11.03189998       5.19035997       7.35843998       0.50841452       0.59946247      -0.67298238
K        4.24554995       9.88629000       9.82366001       0.06663622      -0.00540672       0.31882124
K        1.14212999       3.10968998       0.38513243      -0.12150498       0.45073141      -0.97519569
K        1.51889998       1.56119998       5.41245995      -0.15253724      -0.20481277       0.64721569
K        9.32237001      10.81160002       8.95789004       0.25859674      -0.47857715      -0.69431860
K        4.77662995       1.41843004       2.04774001      -0.00701520       0.08206441      -0.35186451
K        0.87383099       4.15939996       3.25345997       0.23408388       2.17045716       1.00011909
K        8.77352001       5.26178000       3.41225003       0.62524214       0.23844819       0.62260756
K        5.71768998      11.23750001       6.11379996      -0.21538473      -0.02952266      -0.37103404
K        6.72338995       3.76874005       5.53753001      -0.72197156      -0.85461632       0.18531648
K        0.93261001      10.39929996       1.30474999       0.75948475       0.05019988       0.23387293
K        6.06677995       5.11961004       1.23047004       0.11986557       0.07759199      -0.57310306
K        7.53089005       4.37431004       9.11280995       0.02741344      -0.83172050      -0.01465076
K        4.29948003       1.48712001       8.76148001       0.60361495       0.55051813      -0.25563797
Li      10.29449994       5.58743998       0.26593241      -0.33664595       0.75620129      -0.44038374
Li       2.77550997       4.58837996       9.19880998       0.28366329      -0.11308359      -0.32168624
Li       2.31478998       6.70341002       0.65564206       0.89831999       0.16085567      -0.09601163
Li       4.27872995       5.89397000       5.71738001       0.70471334       0.03389831       0.23583116
Li       0.94802694       7.51590002       3.64606997       0.25483753       0.17810414       0.31078268
Li       1.45823995      11.53689999       8.73233999      -0.00657905       0.63733945      -0.08386525
Li       7.23043005       8.34104996      11.53920003      -0.06627378       0.33077128      -0.27826739
Li       2.64352996       8.66327997       6.28360998      -0.06114070      -0.38766848      -0.23417477
Li       4.43126005       8.46527004       3.26043000       0.12133327      -0.07949020      -0.22988834
Li       6.94953996       7.72810003       5.11898003      -0.01828126       0.06939814       0.21514401
Li       0.09733238       7.97128998       9.37874005       0.70286679       0.44862679      -0.22526012
Li       8.95996999       9.10164004       2.52325005      -0.44839793      -0.00241493      -0.11280445
Li       8.18858999       7.41497003       8.41295997      -0.46204368       0.23038854      -0.49962525
Li       9.62158005       1.77347000       7.29863004      -0.32964181       1.15838505      -0.08585436
Li       4.64496004       7.05352997       8.72325004       0.06231073      -0.60970733      -0.27070058
Li      10.45419994       9.20152999       5.95973997      -0.30097563       0.20640923       0.02715847
64
Lattice="11.79404971 0.0 0.0 0.0 11.79404971 0.0 0.0 0.0 11.79404971" Properties=species:S:1:pos:R:3:forces:R:3 energy=-546.16225611 stress="-0.018903636950386337 -0.000184545015924876 0.0010534738980008465 -0.000184545015924876 -0.017815508595892253 0.0008692341917363722 0.0010534738980008465 0.0008692341917363722 -0.01148223592902898" free_energy=-546.16225611 pbc="T T T" config_type=wetmd 
Cl       7.09033996      11.27300003      10.99279995      -1.10525604      -1.32105235      -0.31843676
Cl       2.54241994       0.43472502       9.70621997      -0.31485711       0.00243064       0.26110756
Cl       4.86564995       5.87135994       6.51528003       0.21346101       0.26048040       0.27555836
Cl       5.57774000      10.69699999       7.35214003       0.36962760       0.58605594      -0.26816829
Cl       5.53580000       7.75804004       3.05135005       0.10837874      -0.33153755       0.66045311
Cl       6.66953995      10.92470005       3.51885003      -0.02313307      -0.82622832      -0.00262960
Cl       1.65925001       1.16887996       2.46231004       0.30650147       0.15368200      -0.32442739
Cl      11.11399997       6.86899997       3.43455996       1.50425967       0.00414901      -0.30013785
Cl       4.37449996       6.43151998      11.06329994       0.16764201       0.36903304      -0.45551281
Cl       2.54957999       5.00671999       4.50898999       0.11385460      -0.68580241       0.03635456
Cl       8.77501995       1.51079996       2.78622005       0.87857503       0.16819033       0.22239692
Cl      10.82559995       4.00281001       5.11305998       0.13284943      -1.15968377      -0.07023879
Cl      11.69049996       3.55446994      11.65679999      -0.20948845      -0.13368387      -0.59942865
Cl       7.21601005       7.05724999       8.83359003       0.47193078       0.45529129       0.09090708
Cl       7.76262002       4.97969004       4.05749006      -0.53890118       0.32606400       0.23443055
Cl       9.99337996       8.60256004       6.39245998      -0.53847129      -0.28594756       0.24523640
Cl       5.60621001       2.61004997       9.27859002       0.01545273      -0.57767275      -0.67427072
Cl      11.34489998       6.33967995       8.70774999      -0.32124883      -0.35378641       0.61910104
Cl       1.21819996       3.14195006       7.76655004      -0.64919215       0.17237113      -0.06658010
Cl       3.88521001       3.80158996       1.33182997      -0.20043803      -0.48882979      -0.04537988
Cl       3.68375997       9.89709004       0.91258995      -0.31856298       0.17972234      -0.19866700
Cl       1.67585002      11.33810000       6.48345001       0.05208785       0.48837080      -0.33349893
Cl       8.42310001       7.01352001       0.58175601       0.26551172       0.28917796      -1.04592239
Cl      10.58629998      10.56480002       4.00738999      -0.57477373      -0.51012557       0.30716346
Cl       8.90565002       3.60913996       8.35116999       0.02965812      -0.53751843      -0.22905375
Cl       0.69009296       7.68986005       0.11375031      -0.15237014      -0.05589610      -0.38092235
Cl       2.66852004       8.67486005       8.48638005       0.10732282      -0.45923457       0.37357744
Cl       7.53594994       3.56789004       0.18685030       0.75551558      -0.25408473      -0.76918201
Cl      10.13609999       0.21515024       7.80595997      -0.17671036       0.42701745       0.34755461
Cl       5.26855002       1.94001998       4.36076001      -0.62770573      -0.00916696      -0.24559972
Cl      11.36219997      11.13659996       0.31835030      -0.29982409       0.40018005      -0.85251359
Cl       2.47503004       8.83117001       4.53554995       0.50273608      -1.01846979       0.07908287
K        9.16345002       1.07973994      11.15589998       1.45037670       0.88350245       0.07639649
K        9.60544996       4.26266005       2.01141998       0.76539110       0.08867753       0.07479092
K        1.11868000       6.90582005       6.08281994      -0.32368468       0.29875416       1.15304158
K        6.17478003       5.43278004       1.58255000      -0.36119383       0.36132499      -0.00354503
K        2.91113001       3.48123998      10.04150004      -0.07711285       0.43863333       0.82909941
K        3.85804996       2.59158002       6.70099998      -0.26600195       0.13986425       0.43597484
K       11.57880005       9.38115002       8.89592005       0.02142590       0.13710898       0.23032473
K        3.52631000      11.23169998       3.78545995       0.37659098       0.66351579       0.17361211
K        2.61011001       6.48923994       2.14078997       0.05350432       0.44651523      -0.99087906
K        8.73203996       7.77705004       3.20118001      -1.21689630       0.82854242       0.53386846
K       11.44190003       1.32499001       4.45178000       0.41238528       0.44086474       0.30897033
K        7.67293995       2.40566004       5.59063998       0.81081455       0.25573627       0.28676925
K        0.79137802       9.68985997       2.33852996       0.38591852      -0.30059626      -0.31324813
K        9.35169001       5.75157002       6.44822000      -0.64351258       0.76716995       0.69641596
K        6.84967000       8.64393994       6.12157000       0.39708921      -0.79182125      -0.13795267
K        6.29740006       1.58115996       1.60099000      -1.24789423      -0.51129738      -0.26853285
Li      10.39529995       6.59875006      11.05119996       0.46504000       0.17087858      -0.06399280
Li       3.80115995       3.35380999       3.48278005      -0.42884090      -0.00606408      -0.27848892
Li       3.50779004      10.57649995       7.74576998      -1.21838877       0.20869931       0.36853080
Li       0.36625902       5.19081001       4.08628995       0.51025789      -0.59973250      -0.37175049
Li       8.82589995      11.08789997       2.96331997      -0.20809329       0.52374160      -0.47529813
Li       9.74797999      10.73519998       6.12613005       0.34174191      -0.26837945      -0.29909136
Li       5.51477994       9.58396002       1.97507001       0.35487045       0.39657581      -0.13301104
Li       5.18567005       6.24505004       8.80646996      -0.47687882       0.12334153       0.11686878
Li       4.34466998       7.44549996       4.90960000      -0.64926308      -0.35848845       0.10542316
Li       2.53173005       8.87384005      10.91869994       0.14606072      -0.36775403      -0.16037224
Li       0.69743700       0.95499605       7.97382999       0.25233958      -0.07474616       0.18484339
Li       6.76941998       8.53310996      10.60019998       0.09355403      -0.22505540       0.02795811
Li       7.39394994       3.72475998       9.84068995      -0.37384885       0.42572290       0.02811116
Li      10.81939994       3.95009002       9.35419000       1.00743806       0.30345618       0.01840093
Li       6.60678003       0.17747297       8.72177996      -0.03846393       0.55419702       0.98499086
Li       1.36277001       0.97633797       0.02025027      -0.25915715      -0.22638353       0.28941811
64
Lattice="13.43287798 0.0 0.0 0.0 13.43287798 0.0 0.0 0.0 13.43287798" Properties=species:S:1:pos:R:3:forces:R:3 energy=-544.02327598 stress="0.004117601533035677 -0.00023432121348303226 -7.62212969622681e-05 -0.00023432121348303226 0.005481517665396207 -0.0003055980493308669 -7.62212969622681e-05 -0.0003055980493308669 0.00694255468816288" free_energy=-544.02327598 pbc="T T T" config_type=wetmd 
Cl       2.49424996      11.92339996       0.74093297      -0.58102112       0.43927342      -0.26040406
Cl       4.75373002       1.52713997      12.73760296      -0.59434729       0.04812420      -0.36448193
Cl       3.39145002       7.69369994       4.00663996      -0.34311227       0.43461545       0.56485820
Cl       6.97142994      12.53720000      10.87490003      -0.28736362      -0.15274426      -0.35342340
Cl       5.39680004      12.20769997       5.28150995      -0.09688640      -0.06984864      -0.10162453
Cl      12.09230000       1.51675004       2.10910007       0.17831471      -0.61449144       0.67487427
Cl      13.12678997       3.76690997       5.78610997      -0.31777416      -0.51159493      -0.15801054
Cl      11.00840000       7.26155001       3.69043996      -0.04906124       0.28147738      -0.09956018
Cl       2.81276002      10.23820001      10.66000004      -0.17024599       0.61511827       0.51255489
Cl       0.76217800       3.85744005      13.17209101      -0.41413264      -0.20480530       0.36937114
Cl      10.47480001      10.80000005       9.54976999       0.21605296       0.20555924       0.08988531
Cl       1.71513001       0.17406202       5.16714995       0.33901635       0.08018702      -0.31677210
Cl       1.30804006       0.52085205      10.11530006       0.22259245      -0.47370905       0.37496019
Cl       1.65624994       5.21310006       9.28755000      -0.38522668       0.11703901      -0.33595430
Cl       9.59988994       4.11453002       0.73823699      -0.23920711       0.33801893       0.39359123
Cl      11.28250002       7.24352000       7.78180001       0.15118771      -0.26854131       1.09192890
Cl       5.16207004       2.17882006       3.50423004       0.19190094       0.41920660      -0.68888713
Cl       8.90858997       9.27165998      12.12039997      -0.26612658       0.01084392       0.23515997
Cl      10.50640005       3.39079006      10.00369998       0.11435483       0.41301198      -0.97746340
Cl       5.80348996       5.64822994      12.37579995       0.09908901       0.05966580       0.20602830
Cl       6.63565998       6.59004004       3.78903997       0.65733995      -0.53608754       0.48858652
Cl       1.25611997      10.09950004       6.41706004      -0.22641817      -0.26815597       0.11826819
Cl      11.73569994       6.35704006      11.79969994      -1.17760965       0.84080590      -1.14789284
Cl      11.03609994       0.68294995       7.50306994       0.14545036      -0.19947795      -0.15256042
Cl       8.96956006       4.50063002       5.94440004       1.16514174      -0.55533445       0.61687735
Cl       8.24311002      10.00279998       2.79065004       0.72928804      -0.10312864      -0.65790460
Cl       4.88409006       9.77817002       0.54428302       0.00207430      -1.15689808      -0.03749884
Cl       5.06338997       8.78450000       8.16495995       0.14689286       0.05558705      -0.45432546
Cl       9.08372005      10.34080007       5.96959005       0.46190784       0.51261210      -0.10525313
Cl       5.27125005       1.34857995       7.92801003      -0.16935536      -0.28034219       0.11880898
Cl       2.10008002       7.26992004      12.66471093      -0.46669261      -0.17226522       0.21561893
Cl       8.69227994       0.36619006       0.26131206       0.60452125      -0.43723578       0.55689825
K        7.60353994      12.42900005       7.81993998      -0.00645307       0.00893749      -0.20788895
K       11.35069995       2.40415995      12.58310001       0.01917706      -0.03620299       0.37235313
K       13.23135391       6.87534000       5.67815006       0.54569542       0.01670857      -0.03831843
K        5.87997999       8.82587004      10.87850004      -0.11168212      -0.12592229       0.63131430
K        6.79190006       2.70455000       0.98935497       0.56868309       0.48404725      -0.17033347
K       13.31356098       2.90373996       9.08555001       0.44112023      -0.33594017      -0.33698675
K        8.65652994       7.24185003       1.11192004      -0.01205313      -0.15434532       0.05683881
K        1.01359003       8.02844000       9.63475994       0.15234032       0.13380652      -0.00796851
K        3.11610006       4.31340996      11.58760004       0.56390806       0.10732795       0.01170842
K        8.73465006       7.56703005       6.33590006      -0.28051832      -0.38252031      -0.14461228
K        2.37470998      10.78740001       3.60945999       0.24727982      -0.15658967       0.30315401
K       11.18649994       4.20440000       3.31484997      -0.16974202       0.07578144       0.06701100
K        2.63886994       1.52605997       1.80637995      -0.14508128       0.01910395      -0.14834267
K        4.83759000       6.78909998       1.53168002      -0.41215930       0.21883839      -0.18753120
K        3.10330001      12.13160003       7.73079993      -0.00064855      -0.00941791       0.06226840
K        5.73338995      12.36329998       0.23223901       0.42916072       0.24329950       0.10418674
Li      10.45370005       9.42527004       4.05451998      -0.92518858       0.08623327       0.19539417
Li      13.37889997       1.28673995       4.60702003      -0.33608987       0.66394225       0.15281830
Li       2.70533998       9.37014004      13.12212299       0.47472545       0.42794139      -0.29225087
Li       4.51889000       1.60068995       5.40065004      -0.15687068      -0.80719089       1.16063812
Li      10.42910002       2.88045998       7.54270002      -0.30448783       0.23806260      -0.00514283
Li      10.45190004      13.33689187       2.16113998      -0.47152140       0.46618116      -0.69814360
Li       6.80744996      11.09970005       3.93608001      -0.05635779      -0.04573540       0.53911397
Li       4.30495006       8.27239007       6.19976000      -0.36777586      -0.12044941      -0.66060330
Li      13.34943079       6.04152996      12.97690001       1.61366232      -0.38819047       0.58475321
Li      11.49449999       5.52807996       9.63634999      -0.26374249       0.20900916      -0.02552320
Li      11.86409998      11.99779997       8.06981998      -0.26254933       0.06549281       0.03885863
Li       8.95507002      11.51579996      11.42770003       0.05729488      -0.06533187      -0.00420266
Li       7.12958005       4.69925997       5.09280004      -1.03198840       0.35426000      -0.84304037
Li      10.51010000       8.71066001      10.70730002       0.11548400      -0.10512732      -0.20642928
Li       5.19485002       0.69542399      10.59350004       0.27295036       0.21894984      -0.33486145
Li       1.91798997      12.43400004      11.89680004       0.17288390      -0.17144504      -0.38448515
64
Lattice="11.88475297 0.0 0.0 0.0 11.88475297 0.0 0.0 0.0 11.88475297" Properties=species:S:1:pos:R:3:forces:R:3 energy=-546.82519268 stress="-0.01914660580597083 0.00037842312272492253 0.0007029670982451524 0.00037842312272492253 -0.017328709756192197 0.00338370835001514 0.0007029670982451524 0.00338370835001514 -0.0131528798488382" free_energy=-546.82519268 pbc="T T T" config_type=wetmd 
Cl       6.88885004       4.05358998       0.14314698      -0.23683131       0.45142113      -0.18374244
Cl       5.65532001       3.07965004       8.59462003      -0.50099795       0.32092529      -0.77542491
Cl       6.08339003       7.79000003       9.08946002      -1.60977403      -0.55988801       0.33664472
Cl       9.18329003       8.70685001       9.54200004       0.09319993       0.12612850      -0.07553971
Cl       0.26114700      11.75640001       8.55105005       0.04942714      -0.60075353      -0.06243801
Cl       4.41456998       2.89683996       2.63871002      -0.39590382      -0.01491168      -0.44258507
Cl       1.19716994       2.99918004       3.61816995       0.25406975       0.14331930      -0.28837604
Cl       8.01944006       1.61200000       5.19379999       0.26079419       0.79146383       0.12336600
Cl       3.21277996       0.04414698      10.78750005       0.67595416      -0.00504070       0.42817959
Cl       1.95299994       3.22561002      11.49690000       0.16761020       0.87287075       0.10226862
Cl       3.32919004       9.91807997       7.41230995      -0.51191672      -0.39518753       0.62374752
Cl       2.37392997      11.57449995       4.53560003      -0.42559109      -0.45307994      -0.29115857
Cl      10.88840005       5.39424003       9.26163004      -0.31399595      -0.18022182      -0.60031424
Cl       0.08506191       7.34025994       4.09980004       0.46699023      -0.02596767       0.63102911
Cl      10.02200002       1.09630001       2.24423998       0.26318439       0.31500638      -0.39183037
Cl       7.76286001       5.84522006       6.40465000      -0.89570294       0.94135181       0.33186990
Cl       6.00784995       9.68938999       4.54318000      -0.13459151      -0.21977940       0.85090484
Cl      11.42130002       9.84482996       0.57783205       1.03568186       1.05555252       0.58739716
Cl       7.65241999      11.73859998       8.05214999       0.10449972      -0.27702532       0.28414687
Cl       4.96657005       1.14264995       5.61035999      -0.61494751       0.36201380       0.23111784
Cl       6.01875005       6.32446999       3.11112004      -0.26871711      -0.62101299       0.03863605
Cl      10.06590004       9.04953997       6.05595004      -0.73404717       1.11035726      -1.47925660
Cl       9.85451996       7.08479004       1.15632003      -0.54944830      -0.24226432      -0.15759164
Cl       9.03571004       2.30171001       9.72289002       0.89193119       0.00107952       0.14587523
Cl      11.80200003       2.45354997       6.57411005       0.22386891      -0.94087217      -0.09853101
Cl       7.87800995      10.14390003       1.71460998       0.18383921      -0.19431438       0.27578630
Cl       4.36437995       9.03395003       1.21610996       0.41550777       0.26808672       0.09713977
Cl       1.88424998       6.90169996       9.64694003       0.79428821      -0.26602522      -0.84443914
Cl       3.57964006       6.12228003       6.44486004      -0.51990943       0.38316025      -0.09018966
Cl       6.33457999       0.96304495       0.40714597       0.09278913       0.22485651      -0.57417658
Cl       1.67398005       6.68049999       1.10578998      -0.01543611      -0.59963083       0.28422878
Cl       9.83865999       4.08496002       4.31285004       0.57616585       0.72346088      -1.17901553
K        7.51850996       9.02371999       7.08063002      -0.21262907       0.02526375       0.02155540
K        0.59187900       0.78898703      11.65640004      -0.75106025      -0.47536382       0.00982189
K       11.63780004       8.08423003       7.77320996       1.02512615      -0.56181831       1.44026413
K        6.53437005      10.35640000      11.05029998      -0.33470830      -0.77287989      -0.99007363
K        4.45118001       6.29688999      11.75560005       0.13489870      -0.21586406       0.02536712
K        9.31992000       3.82193998       7.00519001       0.41009226      -0.96702711       0.96146505
K        8.13196003       5.75713003       9.77120998      -0.28387900       0.05336516       0.07141155
K        2.04321996       9.19382004      11.11459994       0.12356271       0.64169018       0.40687315
K        0.94070601       5.14521999       5.77780997      -0.31234555      -0.31071326       0.01709452
K        8.76827006       6.96314995       4.03753998       0.69503523       0.33468858      -0.28219246
K        9.00257998      11.18869995       4.44601002       0.29720560      -1.15338424      -0.48805167
K        9.69471995       4.26394001       1.11207999       0.34260192      -0.38536544      -0.17678489
K        7.23000996       3.51418002       3.20601004      -0.45691648       0.20468387      -0.03876315
K        3.29540003       8.17623002       3.88599999      -0.50237180      -0.30272392       0.07832812
K        3.17096999       1.21186996       8.15756002      -0.07601360       0.26486070       0.06430600
K        5.36328001      11.84470005       2.87495003      -0.29424989      -0.10522183      -0.13176995
Li       6.12392999       8.37557001       2.75999999       0.12427020       0.84896838      -0.91180331
Li      11.09390003       2.18652999       3.87388004      -0.44358612       0.31040362       0.65255394
Li       4.56034004       2.14417998       0.45034704      -0.78042499       0.47543999      -0.29895771
Li      10.06169996       0.62796598       7.99799996      -0.33730827       0.23823793       0.43759588
Li       0.87182400      11.64020005       6.28295001      -0.08624303       0.14379709       0.26551429
Li      11.67999995       8.03728002       2.11060995       0.20009921      -0.04945315      -0.74714111
Li       9.87805997       8.86341000      11.53470005      -0.58753645      -0.60708416       0.20217949
Li       3.55028995       7.79926003       8.20036997       0.24680687      -0.31525096       0.05512005
Li       1.85942998       3.99204003       1.80300996       0.41094089       0.59996425      -0.43994759
Li       5.63453999       6.16034999       6.76208002       0.64789669      -0.16158203       0.35201585
Li       4.33159004      10.91070001       5.87606004       0.36440168       0.15030856      -0.69149273
Li       8.24766000       0.45337504       1.11080998       0.74852632      -0.42238597       0.08377673
Li       3.06308995       1.84018000       4.12172004       0.15062951       0.01904101       0.28921129
Li       0.68809499       5.15780000      10.48550003       0.79882385      -0.05212815       0.52596021
Li       6.74457996       1.50530998       6.92786995      -0.40456797       0.25146209       0.46459187
Li       6.90289996       2.36283995      10.08749998       0.32093208      -0.19900776       0.93424287
64
Lattice="12.73325856 0.0 0.0 0.0 12.73325856 0.0 0.0 0.0 12.73325856" Properties=species:S:1:pos:R:3:forces:R:3 energy=-546.95818316 stress="0.001872019670654278 0.0034347602745895722 -0.0024447298750647204 0.0034347602745895722 0.0033581885917879947 0.00015510735007224992 -0.0024447298750647204 0.00015510735007224992 0.0004928460506468527" free_energy=-546.95818316 pbc="T T T" config_type=wetmd 
Cl       6.55971005       6.09634995      11.92469995       0.04185070      -0.33186472       0.60624721
Cl       7.47099002       0.21895500       7.89015997      -0.36957248      -0.08355434      -0.31659345
Cl       1.57435002       1.17393997       6.59994994      -0.59274815       0.54023466      -0.50851943
Cl       8.12705003       8.72062004       9.17217004       0.10162989      -0.31972849      -0.28717946
Cl       4.49663006       2.58785997      10.22719997      -0.08489835       0.03521457      -0.42358976
Cl       0.32390494       5.59500005       5.39554998       0.45669779      -0.13928286      -0.69749642
Cl       2.35249995       4.72032005       8.26288996      -0.18680510      -0.24138194      -0.07310445
Cl       8.79226003       0.49868699      11.54569999      -0.06587476       0.05115281       0.39035027
Cl       5.27844997       2.72959999       6.13514997      -0.40894817      -0.36881661      -0.26889348
Cl       0.88014206       1.72327006      11.37299995      -0.19477860      -0.44504707      -0.41317276
Cl       3.55065998      11.67550002       2.90634997      -0.12569811       0.44551034      -0.31327209
Cl       9.34907995       4.61155001       0.98981005       0.03923597      -0.51689160       0.06173893
Cl      10.95850004      11.47550000       8.97546004      -0.20877611       0.17905611      -0.38278026
Cl       9.45453005       5.94215999       5.02158997       0.04305422       0.08682060      -0.38373152
Cl       6.29030002       5.10255999       8.37203003      -0.04811896      -0.08326588       0.33686428
Cl       3.86237996       7.88355001       4.72098002      -0.98004912      -0.27973233      -0.07394024
Cl      11.59830006       9.47218000       3.94922002      -0.56946998      -0.36799550      -0.09848625
Cl       1.13822000       5.22250003      11.37359994      -0.55858547      -0.66308834       0.30658516
Cl       8.40082005       9.78965006       5.29623006       0.07406253      -0.31023598       0.17777724
Cl       4.31873001       1.74576999       0.71043306       0.67446040       0.39042693       0.59576323
Cl       1.93153995       3.35542004       2.63019004      -0.05816810       0.77772445       0.48061158
Cl       4.67682006       8.51860002      10.27359996      -0.38470463      -0.25379693      -0.23099090
Cl      11.66590004       8.34286997       7.27005003      -0.26671089      -0.27269143       0.42817701
Cl      12.10400002       0.82351395       2.97274996      -0.18388452       0.27944944       0.06151289
Cl       7.15024000      12.70202897       2.64303000       0.47000364       0.10346509       0.11277056
Cl       9.12631006       3.03772995       8.66827005       0.49647471      -0.02655699       0.01907738
Cl       9.20231004       8.43199005       0.83419906       0.04474716      -0.18274983       0.46695819
Cl       3.50985002      11.12350002       6.98786001       0.20635675       0.22985464      -0.04073579
Cl       0.92371502       9.08298999      11.20470001      -1.61512244      -0.17336646      -0.88647642
Cl       5.99501995       6.04595006       2.86056996       0.18146401       0.18325348      -0.22786187
Cl       3.46702004      11.52579994      11.72310000       0.16190430       0.05462302      -0.03980125
Cl       2.57779994       7.85079994       0.92173003       0.64075746      -0.06370005       1.46308532
K        1.47904998      12.23500004       9.06957996      -0.04806371      -0.37826031       0.30967592
K        1.66101003       0.50329503       1.08862994       0.35852297      -0.24783772       0.31945266
K        1.57076994       9.57835997       3.19978995       0.56367456      -0.11890529       0.07018468
K        6.42066006      10.99680002       9.92124994      -0.29470633       0.03312096       0.05180011
K        4.02226002       5.07733999       0.79059198       0.17341232      -0.16459006      -0.45912073
K       11.01970003       2.35569995      12.57819994      -0.16291169      -0.10356030      -0.12169478
K       10.73109996       8.51280995      10.65799997       0.02097670       0.15061455       0.12620096
K       11.30219997      12.63549999       5.69908005      -0.13636302      -0.44454081       0.27596640
K       10.11059999      11.26799997       1.73358006      -0.42194069      -0.10325487       0.11093392
K       11.25050001       4.97896997       7.79653996       0.04549030       0.09550405       0.01294506
K        7.46839994       3.41349006      11.12249995      -0.18250395      -0.10929629       0.06638170
K       11.77440001       4.75406000       2.66503002       0.00639597       0.08261439       0.16960361
K        6.95931994       3.46771999       3.18591999       0.20518674      -0.79159853       0.19478834
K        5.92801003       7.32491000       6.64549006       0.43621161       0.32283421      -0.20842467
K        5.54419995      10.68499996       4.65937995       0.33921019      -0.08512636       0.18877830
K        1.91851001       7.66940003       7.41553999       0.19643395       0.12496157       0.07046289
Li       9.26224995       8.06007003       3.77977001      -0.09595140       0.49362565       0.04701720
Li       1.28097995       2.25013996       4.58571003      -0.07007153      -0.01240124      -0.22885801
Li       4.08200995       0.87020095      11.51179998      -0.17216914       0.11494374      -0.26460811
Li       1.95596005       7.03252000      11.89720006      -0.47913529       0.37835452      -0.99891921
Li       6.50246004       6.94570999       9.91950001      -0.17495189       0.38187846      -0.05907278
Li       7.82882005       6.28837004       1.19086005      -0.30352616       0.57491150      -0.27299787
Li      11.34880001       7.09068998       5.34922002       0.22191732       0.69361633       0.17697115
Li       9.61506995       9.84859995       7.65030002      -0.01959375      -0.16206985      -0.20495448
Li       4.21036998       3.42927001       8.12159000       0.01581087       0.50208470      -0.05495469
Li       1.88309003       3.35757005      10.34220001       0.55313039       0.57196480      -0.42608071
Li       2.83837003       9.28658002      11.75980005       1.87778883       0.53805711       0.23930843
Li       5.46553006      12.48660961       1.27736994      -0.63109771       0.05901052       0.30262627
Li       3.71256005       0.83835698       6.05044006       0.42469270      -0.52633943       0.22587987
Li       9.09032995       0.46329694       9.31880001       0.50737510       0.10140207      -0.05964103
Li       2.51593998       5.76563998       3.64235001       0.15504754       0.17288569       0.55084792
Li       6.97955003       3.01046995       7.68218995       0.36192258      -0.37764257       0.00860826
64
Lattice="12.07389472 0.0 0.0 0.0 12.07389472 0.0 0.0 0.0 12.07389472" Properties=species:S:1:pos:R:3:forces:R:3 energy=-549.45747314 stress="-0.005536429769878216 -0.002295848168202156 0.00208123594908969 -0.002295848168202156 -0.0031141309111780043 0.004456481743214312 0.00208123594908969 0.004456481743214312 -0.004081574768413947" free_energy=-549.45747314 pbc="T T T" config_type=wetmd 
Cl       4.37930002       1.34474995      11.65389995      -0.03729784       0.12108978       0.04048081
Cl       6.88204996      11.55309995       9.49619994       0.15720976       0.23648601      -0.12031473
Cl       1.97681000       0.76825600       4.72371994      -0.24291263       0.38161946       0.24985709
Cl      10.38500002      10.90910002      10.59550004       0.12630458      -0.01456174      -0.12615864
Cl       3.06327000       4.51258000      11.06239996       0.13575679       0.36996536      -0.41216405
Cl      11.67359995       7.69550000       3.54410996       0.19421922      -0.74827871       0.10504348
Cl       3.53115999       4.40852995       5.96731999      -0.84437648      -0.04913275       0.04040160
Cl      11.73019996       4.30596994       7.10451002      -0.25019751       0.04929540      -0.07983129
Cl       6.45703003       2.54780996       7.01530000       0.45583710       0.26040769      -0.37560921
Cl      11.58869995       2.51430997      10.30100000       0.69322059       0.63103519       0.20062783
Cl       5.20042000      11.23739996       5.59126996       1.03750670      -0.12954667      -0.09476568
Cl       8.25829998       4.31263002      11.21129994       0.28131240      -0.15600335      -0.25084708
Cl       0.04120530       0.26447806       7.72032997      -0.06927799      -0.29510666      -0.19899369
Cl      10.54790004       1.45214000       4.23731995       0.20966527      -0.12968661       0.17425958
Cl       5.86338995       6.24469997       0.17757198      -1.47510610       1.00505760      -0.21168187
Cl       4.09315004       7.84303998       5.85547998       0.45197206       0.23462802      -0.25929878
Cl       1.04851006       7.97076005       7.83743999       0.16603526      -0.29605258       0.18600729
Cl       1.61164001       7.38972995      11.61399995       0.26347531       0.38843370       0.79384974
Cl       7.14687998       6.29154994       7.17206998       0.62015379      -0.12432733       0.05228768
Cl       4.94591003       1.87941002       3.25160996      -0.36927407       0.42799555       0.59246175
Cl       3.42348994       5.86763996       2.47501005      -0.00449914       0.09953409       0.74774591
Cl       4.44486006       9.18051999       9.61220000      -0.13465792      -0.50464813      -0.26935223
Cl       1.78845000      11.19950000      11.13489996      -0.03183961      -0.05864665       0.15176375
Cl       7.65210003       0.95358594       1.48307005       0.06940888      -0.30819604      -0.48461886
Cl       8.08474003       8.81658998       3.13731002      -0.05927569       0.29489374       0.15427253
Cl       9.83395000       9.44327004       6.79714006      -0.52498439      -0.30295174      -0.52022706
Cl       9.73445000       7.61644002      11.95449996       0.00577391      -0.54069303       0.41967865
Cl       3.69449998       0.67192999       8.06975005      -0.16413081       0.30233799      -0.15677302
Cl       1.85563000       9.86187003       3.05254005       1.09085364      -0.53975015      -0.85961264
Cl       8.47426006       5.33753996       2.59237000       0.03904715      -0.00879518       0.50232826
Cl       1.23017001       2.79577999       1.63289996       0.10872183       0.53074331       0.44774071
Cl       4.94865998      10.14249995       0.76245003      -0.57116066       0.03430477       0.06183816
K        0.17651696       0.07590532       1.79378002       0.06858749       0.11295397      -0.11521329
K       10.95330001       4.76265004       1.11654005       0.11446073      -0.36399861      -0.03061314
K        2.57314003      10.33870001       6.39434998      -0.15287670       0.28256422       0.41902984
K        6.68086000       9.26939001       7.49155997       0.08535029      -0.12672802      -0.01973343
K        5.34362001       5.82313003       9.38680997       0.07594283      -0.08892163      -0.05972284
K        9.06662996       1.49314994      10.79429998      -0.97976633      -0.76746492       0.47417108
K       10.00360005       6.54999999       5.91812997      -0.09573656       0.14290370      -0.29015228
K       11.75209995      10.59810003       4.68260000      -0.68929402       0.25969223       0.54823500
K        7.81541998      10.01690005       0.23200532       0.20439917       0.09680365      -0.20709044
K        8.92325005       3.64852005       8.46898002      -0.06696628       0.05044667      -0.68665378
K        5.82395999       3.46544999       1.03961003       0.38964752      -0.08712225      -0.25984352
K       11.56360001       6.22483998       9.90789005      -0.18451732      -0.02782582      -0.16515847
K        7.74219000       0.48851099       4.35622994      -0.02302964       0.11837616       0.06579980
K        5.77523000       5.49196001       4.63627005       0.63548051      -0.00254625      -0.09320770
K        5.03596003       9.15800000       3.39692001       0.17940109      -0.04042501       0.17917370
K        2.10814005       3.37569000       8.43526005       0.16469984      -0.65470961       0.05334168
Li       9.81448000       7.52285997       2.38034999      -0.71226889       0.10693682      -0.34398054
Li       2.62442003       6.55348005       6.62385999      -0.50881245      -0.42987156      -0.01458384
Li       2.42220994       2.56247998      11.86149994       0.10438996      -0.41435930       0.00868932
Li       2.54099002       9.42524999       0.44446699       0.13540246       0.72158971      -0.05252192
Li       3.68417994       6.40951998       0.42020522      -0.29352916      -0.19082814      -0.90423203
Li       7.79847994       6.00526003       0.55896796       1.79504989       0.24908472       0.11174342
Li       1.88875002       7.45085996       2.83281002      -0.72172984       0.54188609       0.28561808
Li       0.06450527       0.25982804      10.06280005       0.11542447      -0.14063637      -0.07389584
Li       4.23407002       1.21051999       5.45593005      -0.38321545       0.30202619       0.05436953
Li       0.00400527       2.01807000       6.08984997      -0.08783280      -0.30719205      -0.49146761
Li       4.26821004      11.72379995       9.97577999       0.14693583      -0.26970757       0.37653334
Li       5.13392001       0.32915900       1.54827995       0.17455003      -0.07453290      -0.37414209
Li       6.16521003       0.48147903       7.56023000      -0.61834627      -0.21223713       0.43560572
Li      10.99060001      10.31559999       8.30453997       0.24264916       0.52523819       0.79790760
Li       2.84442004       3.89697002       3.37594005      -0.23296800      -0.95167524       0.23615980
Li       2.48215997       8.21168001       9.74019005      -0.20896499       0.47882977      -0.36456117
64
Lattice="12.64201123 0.0 0.0 0.0 12.64201123 0.0 0.0 0.0 12.64201123" Properties=species:S:1:pos:R:3:forces:R:3 energy=-543.96408219 stress="-0.0008372859162869144 0.0009930909921813285 0.000531420848954133 0.0009930909921813285 -0.0025837373272448645 -0.0014907333429989844 0.000531420848954133 -0.0014907333429989844 -0.0034756706019211936" free_energy=-543.96408219 pbc="T T T" config_type=wetmd 
Cl       0.85435306       1.53191998       8.57866996      -0.03325783       0.09873024       0.54909096
Cl       3.43811000      11.22660002       7.87941997       0.43950532       0.07087787       0.11544972
Cl      11.89850004       3.50041994       1.94176994      -0.61354680      -0.04039326       0.10492680
Cl      11.59649996       9.54154002       8.07040005       0.20662648      -0.72447859      -0.46667204
Cl       4.57286995       4.85221996       3.37852997      -1.65141118      -0.62845218       0.10990360
Cl      10.79629997       9.29208002       3.83314997       0.43431573      -0.11480375      -0.21842794
Cl       6.31549003       2.43937000       9.13839994      -0.64444666      -0.03114511       0.25235188
Cl       9.95582998      12.12980004       5.81576005      -0.18015933       0.03402164      -0.61384583
Cl      12.56447247       2.34412003       5.49462996      -0.42697639       0.40465596      -0.54391302
Cl       2.44266994       3.06845999      12.28680004       0.41249778       0.59345094       0.26506904
Cl       7.43026005       8.48774002       2.26340003       0.23536246      -0.30681135      -0.34994367
Cl       6.75195003       6.70897996       6.29565004       0.21981479      -0.25893824      -0.08965765
Cl       9.01251003      12.18240004       8.98878995       0.25914097      -0.08030816       0.84704275
Cl      10.80999999      12.52083920       2.02254999       0.02477913       0.22236550      -0.36632982
Cl       5.88248004       5.73903998       0.40182696      -0.53191929       0.06202948       0.30084967
Cl       3.92085000       6.34552998       9.58663003       0.09971016      -0.06964127       0.32706113
Cl       2.50666001       5.75236997       6.56366004      -0.12455684       0.00239329      -0.83011410
Cl       3.66513005       9.63343999      11.52159996      -0.60205518      -0.19609523      -0.21131454
Cl       9.77970995       5.52407004       4.75353996       0.42449907      -0.46371023       0.26271313
Cl       7.18943998       2.75307999       5.98069999       0.00833712      -0.06492501      -0.67290312
Cl       1.70913001       9.72931005       5.39363002       0.19810573      -0.33515224      -0.72903657
Cl       8.84503006       6.63285003      11.20169994       0.80748492       0.27392318      -0.16776982
Cl      12.59843599      11.35599998      10.85910004      -0.92080788       0.03846054      -0.32615927
Cl       8.10006996       2.83596999       1.33130998      -0.47867107       0.32845318       0.31920236
Cl       6.01742997       0.31287296      11.88929994      -0.41162364      -0.64856170       0.45404295
Cl       7.15777996       9.44506997       9.05279001       0.13043015       0.22860472       0.01528279
Cl       0.05533674       4.85871998       9.84194000       0.77963006       0.86311876      -0.13958716
Cl       3.29887000       0.59586299       5.10451999      -0.14128983      -0.08857188      -0.69382844
Cl       0.51580898       6.67451999       2.86279002       0.58896329      -0.14861016       0.20695346
Cl       9.53508994       3.24519998       9.99125998       0.98989969       0.16843623      -0.24057055
Cl       6.34286997      11.56180004       4.77679001      -0.13860212      -0.64503898      -0.28852746
Cl       2.45272995      12.20480004       0.92617005       0.27417301      -0.44242725      -0.10958989
K        0.79337596       1.12214006       2.86971999       0.25965175      -0.25430240      -0.07712358
K        6.31730998       8.43835995      11.76979994       0.29376487      -0.36305467      -0.00213873
K        2.17265997       8.58042998       8.28928004       0.28568266       0.08060083       0.23516681
K        8.91745993       9.45539003       6.14186996      -0.13710244      -0.20934631       0.47211844
K        7.22572002       3.98173999      11.26719997      -0.27858997       0.10361347       0.44998612
K       12.11710001       2.65845997      11.49079998      -0.08611958      -0.73459982       0.03673674
K       10.24690003       6.42403004       1.21990996       0.02592903       0.00412694       0.50406549
K        0.20427695      12.14560003       6.52153004       0.35023686      -0.44771262       0.22292303
K        6.49362002       0.10707303       7.68138994      -0.18913480      -0.61088105      -0.27346731
K        2.56223998       2.80580994       6.58807999      -0.31188554       0.14315953       0.57099819
K        5.38810003       1.91358003       3.46572002       0.47995463      -0.36219282      -0.12606728
K        0.01904595       7.32720996       6.22958997      -0.56059932      -0.13246669      -0.46347285
K       10.26549997       1.69785005       7.46714995       0.05804604       0.56826597       0.60265097
K        5.14834997       4.42322001       7.55747004      -0.15132785       0.46856843      -0.03590960
K        7.16270996       5.47062998       3.37908002       0.79156869       0.37794572      -0.48454641
K        2.86883998       0.38562104      10.48939997       0.18324037       0.04531658      -0.10905850
Li       9.84895000      11.52009999       3.70117002       0.22535912      -0.44020619       0.05306055
Li       2.41482996       5.34391999       3.87805995      -0.34531844       0.58764739       0.39117292
Li      10.76819994       5.72979994      10.14529998      -1.05263160      -0.40477015       0.05789594
Li       6.23955996       9.73084997       3.40070001      -0.12239290       0.50079924       0.45835256
Li       2.24942997       4.83985001      10.81809998       0.15441669       0.15720906      -0.42343786
Li       6.22371004       7.85094004       8.11215004      -0.49728340      -0.42791952       0.08565762
Li       0.74249806       8.86994999       3.35606006      -0.45615278       0.26793759       0.43588875
Li      11.02260006       9.68771998      10.12189999      -0.17826607       0.81049207       0.09393162
Li       4.11870999      11.15359999       5.60752994      -0.47739209       0.17858142       0.37087202
Li       9.94240000       1.92152996       1.79914998       0.54533688      -0.03249835       0.04905142
Li       1.43441999      10.33209998      11.78550005       1.21152260      -0.14718744       0.91426949
Li       8.21612995       4.62322004       6.27166005       0.20546534       0.62918638      -0.00218574
Li       4.47979996      11.20889994       0.13095404      -0.06441592       0.93620951       0.03944473
Li       8.01616001       0.17551005      10.91669995       0.01906503       0.19521417      -0.38916436
Li      11.17819996       3.62106999       4.27750996       0.07758331       0.37107842      -0.32121416
Li       4.10097995       4.50581002       1.09054995       0.10783700       0.03972834      -0.40820636
64
Lattice="12.2132837 0.0 0.0 0.0 12.2132837 0.0 0.0 0.0 12.2132837" Properties=species:S:1:pos:R:3:forces:R:3 energy=-547.25724612 stress="-0.00919144210995093 0.0001885466284292444 -0.0030002793622090035 0.0001885466284292444 -0.006898493653266021 -0.0011876531933476084 -0.0030002793622090035 -0.0011876531933476084 -0.007954100774255912" free_energy=-547.25724612 pbc="T T T" config_type=wetmd 
Cl      10.52520002       3.26087994       9.12211002       0.07440483       0.13039396      -0.15687085
Cl      11.53459995      10.39020000       4.66573000       0.08110765       0.20232256       0.43020174
Cl       4.17206003       3.65818001      11.96624769      -0.44244259      -0.39028600       0.62083928
Cl       3.96326002       5.89589004       9.28120001       0.32102992       0.13259008       0.01828115
Cl       5.72590006       2.21706994       3.80968006       0.48064567      -0.83565339      -2.53956017
Cl      11.75600004       1.52846998       5.95610995       0.57141669       0.27217069       0.57275733
Cl       3.76434997      11.04210002      10.46659995      -1.55825635      -1.06538776      -0.63333636
Cl       8.70300997      10.56300001       7.22303002       0.02338325      -0.10499374      -0.68430487
Cl       4.93915000       1.12176996       7.27678997       0.30587569      -0.15842953      -0.38992172
Cl       0.87968594       5.12396996      11.70879997      -0.83810288      -0.27095002       0.40689502
Cl      10.19179997       4.06737998       2.42695998       0.33275505      -0.51609188      -0.24685554
Cl       9.20279000      10.20219995       0.22595405      -0.00754305       0.29750467       0.33262586
Cl       8.65703001       0.88731631       3.94532995       0.58294901      -0.76430463       0.14747328
Cl       0.00901633      11.82070003       9.37649001       0.07689725       0.18910233       0.45767759
Cl      11.25879995       7.72683005      10.21900005      -1.10825053      -0.17950862       0.17123525
Cl       5.61041003      10.97399997       1.46381994       0.17350277      -0.28504195       0.68253266
Cl       8.15259001       3.67674995      11.60759997      -0.05619229       0.44371069       0.06270922
Cl       2.34713995      11.71009995       3.29178004      -0.00326043      -0.01036745      -0.11821158
Cl       0.96810902       1.96338001       0.77759706      -0.95166136      -0.11131521      -1.14323853
Cl       6.63786998       4.37824994       6.90625995       0.27247694       0.03044254      -0.11383844
Cl      11.52210002       7.45892996       1.71684999       0.42068573       0.62294268      -0.33458723
Cl       0.64552297       6.93698002       7.33867003       0.58705234      -1.42855729      -0.57995004
Cl       2.29290002      11.16219996       6.99561001       0.42529088      -0.85665392      -0.76227143
Cl       7.82535998       7.26186997       1.61646999      -0.02312713       0.57723995      -0.57107501
Cl       7.19577999       8.17284000      10.30929994       0.00452810       0.22310756       0.01355193
Cl       5.19744996       7.76423995       5.90198996      -0.40973271       0.56228730      -0.04714542
Cl       3.54766006       4.49697002       6.12037996      -1.20469837      -0.45242556      -0.08619313
Cl       1.47964005       4.15877003       3.30207999      -0.15221057       0.24960038       0.42661653
Cl       3.32852004       7.16110000       2.01286005       0.14938129      -0.38916485      -0.49526562
Cl       6.48446003       0.26663601      10.48809997       0.64766653      -0.14263143       0.22754468
Cl       9.03020995       6.25698994       4.68922994      -0.17854146       0.54918298       0.54524157
Cl       2.11865994       2.51812995       9.10064005       0.25470460      -0.36871881      -1.14641976
K       11.75109995       0.90239703       3.09892997      -0.51174723       0.27983623      -0.16985561
K        3.20987996       2.09905994       2.20247995       1.11808067      -0.24697564       0.59149073
K        2.57508000       7.09428003       4.93564003      -0.41660181       0.14953768      -0.49158906
K        7.50457003       7.34304996       7.21514000       1.28940293      -0.17860211       0.41736136
K        1.43902001       7.73000001      11.71410005       0.57999041       0.79714596       0.29849631
K        9.29380998      11.49629995       9.79864997       0.11176763       0.09499933       0.53953248
K        7.53327002       1.10962006       0.99048595       0.35502515       0.05100746       0.31602703
K        1.32580996      11.33459998       0.08714044      -0.19878945      -0.06212764       0.10003454
K        5.81978003      10.43730004       8.18942002      -0.31593409      -0.05697727       0.27771834
K        7.18606005       2.42610994       8.83705003       0.71338647       0.24123714       0.32799676
K        5.23529001      11.51179995       4.68575001      -0.11942315       0.05049088      -0.20813568
K        9.18508000       9.39742003       3.51639002      -0.37075454      -0.25989907      -0.40922916
K       11.15219996       4.63244001       5.88518998       0.06982465      -0.28476011       0.05794710
K        5.81002003       5.98505995      11.94320000      -0.02902415       0.34618854      -0.42704291
K        7.15884006       4.58325003       2.32955001       0.28929883      -0.35826143       0.53298749
K       11.86109999       9.33052995       7.76511002      -0.47365297       1.03668536      -0.12144712
Li       1.11970005      11.59979996       5.23190998       0.04244851       0.18140543      -0.08347655
Li      10.32460001       6.23430999       2.88577995      -0.56552245      -0.32260555       0.08644882
Li       9.26090996       7.90141003      11.77759996       0.23154166       0.27348620       0.11337883
Li       6.95053005       9.49125005       0.23728200       0.25989064      -0.20522406      -0.00170577
Li       0.09311627       4.17035994       1.48447004      -0.49238313      -0.20103506       0.09015489
Li       4.94723996       5.76340998       7.13104995       0.06121921       0.63715659       0.26308512
Li      10.18179998       0.03341628       5.81080998      -0.76209991      -0.50156612      -0.39399304
Li      10.47439997       4.94120000      10.86890002       0.03664628      -0.29079619      -0.15691989
Li       5.11288995       3.02206994       5.41475994      -0.35759000       0.91207510       2.30086219
Li      12.19649996       1.82937000       8.46765999      -0.08905101      -0.10728448      -0.17088320
Li       2.37943004      11.86729994       8.93236994      -0.22895062       0.72899024       0.52816782
Li       2.17464002       5.49930994       8.09638997      -0.16464955      -0.22091190      -0.09645966
Li       1.86226000       3.47509996      10.91320005       0.66914919      -0.48575068       0.90720635
Li       4.87907994      11.86559997      11.92640002       0.61037891       0.69353957       0.08344809
Li       4.24382004       3.07447006       7.90093004      -0.62697560       0.40826587       0.35774420
Li       2.57787000       4.97359000       1.58310000       0.43336405       0.74861343      -0.52648822
64
Lattice="12.58921055 0.0 0.0 0.0 12.58921055 0.0 0.0 0.0 12.58921055" Properties=species:S:1:pos:R:3:forces:R:3 energy=-548.03614859 stress="0.0072264695787527 0.001493170558690005 0.00018531558640004844 0.001493170558690005 0.0057419881806828575 0.0024628486140496303 0.00018531558640004844 0.0024628486140496303 -0.00023115575099022192" free_energy=-548.03614859 pbc="T T T" config_type=wetmd 
Cl      10.70669995       6.04096000       8.59566005      -0.21790376       0.08841595       0.57455757
Cl       0.18899301      10.50100005       6.97612005      -0.55914086      -0.03150059       0.22557702
Cl       4.27588004       4.22860995       1.15770003       0.02374979      -0.04912743      -0.73029477
Cl       7.19173004       1.68963005       7.89317001       0.14573920      -0.33462614      -0.14222635
Cl       4.25854999       2.61991996       6.57072002      -0.18868043      -0.17566372      -0.42602712
Cl       0.88791702       1.52138998       5.03319005      -0.14668655       0.72804777      -0.07778750
Cl      10.03400001      11.89579998       0.67318500      -0.15121122      -0.05774835       0.19257040
Cl       8.87826995       8.86602996       7.00425995       0.33590481       0.52377838       0.13606840
Cl       7.80374004       2.23268000       4.40484996       0.30907159      -0.33620806      -0.31792286
Cl       0.18350096       4.09119997      11.22740002      -0.00976059      -0.02724930       0.14879290
Cl       9.96408004       5.83959998       0.32434804       0.07195040       0.56642162       0.23023335
Cl      10.83199998       9.34967004      10.87559994       0.60591981      -0.17800174      -0.37582073
Cl      10.37549997      11.73820006       4.14684995       0.28106377      -0.42101026       0.58433240
Cl       1.00314997       1.55779999       8.59192999      -0.40041038      -0.92748914       1.47716473
Cl       7.31219003       7.83284000      10.11500000      -0.58275808       0.00282114       0.37107755
Cl       5.32075997      11.84199999       2.28502997      -0.15952716       0.24143208      -0.15850855
Cl       8.61141003       3.45078004      10.88939998       0.20424956      -0.66438972      -0.12625910
Cl       2.08933006      10.20460006       4.03167000      -0.16106792       0.26011060      -0.42280831
Cl       1.54667994       1.61584997       0.79691302       0.53119340      -0.20259079      -0.10374124
Cl       7.26781999       5.33181997       6.95177994       0.03181768       0.01491898      -0.33778299
Cl       1.84366999       6.91981997       1.23586996      -0.53783440      -0.07581196      -0.23544079
Cl       1.59056996       7.79912999      10.03779994       0.02809284       0.33200276      -0.69187338
Cl       5.29558998       0.17982000      10.60620003      -0.26766830       0.18043165      -0.20703570
Cl       5.73694995       7.92133006       1.41932006      -0.09003168       0.10971713      -0.36048293
Cl       3.04415005      10.56690004      12.37430001      -0.16882729       0.04989005       0.57634999
Cl       5.11246997       9.77246004       5.98803005      -0.16973249      -0.40662050       0.47922686
Cl       1.45733998       5.09378997       7.18395004      -0.34851725      -0.45612388      -0.12391822
Cl      11.47600004       4.16152998       3.11864003       0.38901244      -0.47194199       0.16030417
Cl       4.25415006       6.47719994       3.98011001      -0.26071978      -0.12836013       0.84781165
Cl       9.69751005      12.21860005       9.21559004      -0.09588415       0.42726973       0.25873364
Cl      10.35420004       8.10559003       3.84508003       0.38333211      -0.33977930      -0.35953086
Cl       4.04529996       3.99976001       9.90038002      -0.05359709      -0.04768681       0.00030686
K       11.72320002       0.87666806      11.64749996       0.18674980       0.47960177      -0.83295651
K        2.75639997       3.11894997       3.19610005      -0.18599385      -0.12143174       0.81956801
K        4.29144005       5.79286997       6.82759997       0.43243702      -0.49275221       0.42127207
K        3.99398999       7.65613003      11.45799999       0.16818303       0.16830008       0.17702754
K        2.41991996      11.30639996       9.65238995      -0.25267132      -0.02931816      -0.30280781
K        6.48317994      10.47630002       8.60053006       0.50895850      -0.17649493       0.13260395
K        7.68312004       1.08732004       1.66368004       0.05209314      -0.07956950      -0.11921548
K        0.30556003       9.92728002       1.62136002      -0.14315102      -0.28441055      -0.23850582
K        2.10929000       7.97465003       6.24585998      -0.14714196       0.45698999      -0.26144669
K       10.04709997       0.78807904       6.55144997      -0.06250493       0.29642221      -0.15017264
K        5.94211997      12.37490001       5.22481999      -0.01854540       0.53177964      -0.19165383
K        8.92511994       8.84231000       0.44823595      -0.26850729      -0.17433862      -0.02937074
K       11.79069996       0.99173294       2.46867998      -0.14875603       0.64353784       0.23862584
K        6.39660004       5.27007996      11.81969996       0.36460958      -0.07298274      -0.03927002
K        7.11189997       7.95809005       4.35164002      -0.05063486      -0.10782263       0.15680437
K       11.04649999       4.95197994       5.93371000      -0.03856230       0.14311660      -0.11730534
Li       0.72719699      12.03029996       5.05758000       0.05736489      -1.45215880       0.27111552
Li      11.25820002       6.20898996       2.42370994      -0.44728232       0.24611711      -0.44137894
Li      10.57729998       4.92631999      10.80890004      -0.13592162       0.00851819       0.19236973
Li       3.80747996       9.85080006       2.22520994       0.33636577       0.22804038      -0.05408683
Li       1.74720001       4.60216997       0.37132695      -0.04449857       0.04909064      -0.27955020
Li       4.99731999       1.88934000       8.70767997       0.03646151       0.49715282       0.31569902
Li      10.67889995       9.75367002       5.68630003      -0.17753956      -0.13248607      -0.37650694
Li       8.29208999       6.59184006       8.52580994       0.44572376       0.26565314      -0.19289396
Li       6.83047006       3.29648994       5.98386000      -0.38826977       0.07987840       0.71578466
Li       1.60178997       2.60479994       6.98439997       0.83818741       0.93347396      -1.37263213
Li      10.71149996      10.34550001       8.86761998       0.02283234      -0.50378955      -0.20296124
Li      12.00650006       7.68772001       9.62194004      -0.18205040      -0.10172034       0.30878013
Li       1.67506005       3.57733005       9.60862998       0.27829753       0.31882634      -0.09121015
Li       3.89410997       0.50420795       0.05100330      -0.10029946      -0.50412951       0.10507519
Li       8.35267003       1.33022999       9.87500005      -0.31694137       0.44185905      -0.04186194
Li       3.85083002       6.32122994       1.82702995       0.60986975       0.25171921       0.41541512
64
Lattice="10.81312761 0.0 0.0 0.0 10.81312761 0.0 0.0 0.0 10.81312761" Properties=species:S:1:pos:R:3:forces:R:3 energy=-539.47541799 stress="-0.07822156387316571 0.0015648056384371379 0.0004713157589473172 0.0015648056384371379 -0.07018042864328881 -0.0008660896320576245 0.0004713157589473172 -0.0008660896320576245 -0.06533134299371747" free_energy=-539.47541799 pbc="T T T" config_type=wetmd 
Cl       7.53211003       7.80153997       7.62120004       0.48854116       0.56643277      -1.74370184
Cl      10.39859998      10.63590002       7.85270002       0.59065345       0.63318057      -0.09869829
Cl       5.67685999       4.89486001       0.61457243       1.50129597      -0.33258928      -0.49118150
Cl       6.90031996       0.68297239       7.73199005      -0.93691953      -0.50436091      -0.71485018
Cl       5.66958005       1.92935998       4.72403995      -0.45692086      -0.09612664       0.55584661
Cl       1.14812005       3.37168003       5.50538000       0.23745652      -1.25369268      -0.08365991
Cl       8.60929001       1.33258000       0.48627900      -0.37692405      -0.30137467       0.49428838
Cl       8.77764998       8.98410005       3.44222001      -2.15229900      -0.42727682      -0.21547795
Cl       8.50504995       2.96025999       4.76464000       1.89410684      -0.71947566      -0.53549189
Cl       3.53935996       6.37913997       3.41629002      -0.75386513       0.44116841      -0.18447920
Cl       9.58061997       4.26162995       1.86939999      -0.20549580       0.97836636       0.46856802
Cl       1.03125003       8.66533997       1.50903997       0.05711855      -0.66646698      -0.31455545
Cl       0.14977241      10.45949995       4.85539998       0.39765993       0.49916367      -0.48611978
Cl       0.19807238       7.45537997       9.28256000      -1.55868010       0.51336873       0.27672203
Cl       4.17317003       8.41392005       7.58969999      -0.10963547       0.77947631      -0.33501231
Cl       2.53591004       0.55307234       2.99299998       0.24342098      -0.16804358      -0.17219189
Cl       9.70823996       5.28148003       6.56646000       1.89827158       0.01833001      -1.32408640
Cl       3.18092997       0.30917240      10.01880001       0.23326157      -0.49340335      -1.65910252
Cl       2.80775002       3.37662996       1.12557998      -0.14546705      -0.33161391       0.06412124
Cl       8.91734002       4.86755005       9.65475001      -0.38846021       0.49354514       0.39917452
Cl       1.99354000       6.38961995       6.69322997       0.13063315       0.97113658       0.07845440
Cl       3.04974997       6.68743997      10.16129995       0.35358311       0.03236157       0.59556664
Cl       5.77875998       0.47467241       1.17797996      -1.46487640       0.45503300       0.25554804
Cl       6.50758003       7.78445999       1.74313997      -0.66620862      -0.18732272      -0.11637366
Cl       8.27360998       9.21135999      10.14779998      -0.41718027       0.11823728       1.37241939
Cl       3.03256997       0.56877235       6.32396004       0.58725317       0.19033607       0.76786184
Cl       5.49857995       9.46746999       4.39484996      -0.07964760      -0.54039736      -0.22308336
Cl       6.89575996       4.28765996       7.46285000      -0.69473552       0.11310566       1.18952311
Cl       6.16127005       5.25976003       4.39394998      -0.46210737       0.13718551      -0.17277025
Cl       0.47357239       2.49382005       9.97230000       0.15715047      -0.39656969      -0.09818150
Cl       0.27417237       6.92507997       3.95488996       0.71731277       1.25220208      -0.85352445
Cl       3.71874001       3.93678998       8.60460004       0.00399033      -0.56860058      -0.70334330
K        0.95140395       4.79575001       8.70232995       0.01515407       0.33053783      -0.12775415
K        3.56213003       3.62561001       3.78259997      -0.17295798      -0.45785651       0.61810090
K        6.03339000       2.43922998       9.47550004       0.10578447       0.58089521       1.66140992
K        1.20373002       5.78267001       1.56340005       0.28364338      -0.17518687      -0.55525592
K        5.80972002       7.47430002       9.58944997       0.02297024      -0.37020458       1.53356433
K        4.65114995       5.79279002       6.76028996       0.25068358       0.12681069      -0.49800319
K        6.73562003       3.02968005       2.43470003       0.69171914      -0.38019703      -0.64409750
K        0.23347240      10.62619999      10.79619998      -0.40672408       0.37111375      -1.10901598
K       10.21200000       8.12510000       6.35349999       0.15927289      -0.05213580       0.67827413
K        9.32595005       2.70710997       7.65300004       0.16301823      -0.45361368       0.14088510
K        8.19170000       0.21017238       5.27511997      -0.32802296       0.28319138      -0.31010277
K        3.70110002       8.55514003       1.54429996       0.90033118       0.83652351      -0.14132986
K       10.78490005       2.02021004       2.71122004       0.32833964      -0.54240326       0.40210355
K        8.99760002       7.02957998       0.79767242       0.80423936      -0.35188125       0.06487439
K        2.61249002       8.74747995       4.90594995       0.06431495      -0.03894461       0.09644104
K        8.75276000       5.79137998       4.06584000      -0.81907752       0.07115737      -0.41542884
Li       0.83794905       1.09706997       6.26259997       0.34312829       0.31027106       0.24057009
Li       0.90957240       5.46785997       5.16954005      -0.04498121      -0.90605087       0.69567442
Li       9.31783004       3.23275005       0.04327241       0.62950725      -0.22393051      -0.16549074
Li       4.44276995       0.42667239       4.12779998      -0.85250985      -0.09446450      -0.14620258
Li       3.35146002       1.92496001       8.14072000      -0.93430108      -0.60213818      -0.00603380
Li       7.24147003       9.83391002       1.58200999       0.86069548      -0.07967817      -0.12041628
Li      10.72110000       9.24469999       3.09460002       0.77997468      -0.04323438       0.48603472
Li       8.41957001       5.86407005       7.85739000      -1.21297695       0.41727113       1.19306663
Li       6.72664005       3.49905002       5.62839998      -0.41711554       0.05259927      -0.48794655
Li       6.77665001       8.53971997       5.73208998      -0.12869200      -0.57588519       0.04197483
Li       4.63552001      10.45449996       8.03971003      -0.03545074       0.25785821      -0.08683600
Li       2.06959997       7.94823000       8.64011002       0.90248293       0.18115676      -0.55293756
Li       3.87214002       4.70457999      10.54220005      -0.93349311       0.01228620       0.21868295
Li       3.47760002       1.14577998       1.10577000       0.43883337       0.51466755       0.38617861
Li       8.41851000      10.23909997       8.38895005      -0.01909081      -0.42765928       0.21214297
Li       5.44192998       6.03361999       2.36206004      -0.06098588       0.22380987       0.70466454
64
Lattice="12.20099674 0.0 0.0 0.0 12.20099674 0.0 0.0 0.0 12.20099674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-546.47054139 stress="-0.005097399321631644 0.000999038495019837 0.0005272250693423674 0.000999038495019837 -0.008057415232756342 0.0005604243117413988 0.0005272250693423674 0.0005604243117413988 -0.005142210173985832" free_energy=-546.47054139 pbc="T T T" config_type=wetmd 
Cl       9.39216001       8.12692995       8.34907997       1.15697385       0.30378686       0.06042833
Cl      11.05570003      11.79090001       8.07386001      -0.20427611       0.86679846      -0.83389162
Cl       4.06612003       6.26526002       7.78226997      -0.29212184       0.10280095      -0.01791754
Cl       4.52057996      10.47590001       8.81550004      -0.13147739      -0.21368964      -0.74965087
Cl       7.72579998      11.17789997       6.59960003       0.39898086      -0.09438967      -0.18487828
Cl       4.71533995       4.85172001       3.29825006      -0.59975055       0.45798866       0.36275263
Cl       9.33288001       1.58517997      10.79189997      -0.06878343      -0.39516025       0.03951666
Cl      10.17059996       7.08949006       4.40858005       0.14004887       0.29562432       0.20897193
Cl      10.43779995       2.90044998       5.08725000       0.88935545      -0.28704613      -0.41088048
Cl       6.20906003       2.36529999       7.01403995      -0.27023538      -0.83793454      -0.48436038
Cl       7.73178005       4.24673005       2.46759998       1.03936414      -0.11514076      -0.13146792
Cl       0.99636804       9.67280002       2.98757999       0.13370237       0.46418275      -0.45468993
Cl      10.32650002      11.62940005       3.58450997       0.27849836       0.14097643      -0.55101127
Cl      10.07869997       8.62274003       0.35277206       0.54678585       0.24221111      -0.04308002
Cl       6.23555999       7.85288995       4.63000996      -0.67046964       1.54992643      -0.16704342
Cl       3.75578000       0.13610322       1.22281000      -0.19848926      -0.16463281       0.29596233
Cl       0.38144001       6.87429998       9.57739006       1.02646953       0.47356091       1.10926763
Cl      11.93070001      12.05920005      12.10869242       0.54562753      -1.35695334       0.19946354
Cl       0.47011697       2.81122995       1.19329994      -0.27318168       0.27476721       0.00999734
Cl       9.33597003       5.08657004      10.51570002       0.11268714       0.22826711      -0.02534589
Cl       1.19492999       9.00612999       6.84208996      -0.14171481      -0.04069067      -0.27961456
Cl       3.04899004       9.50200998      11.45160005      -2.39620202       0.28023492       1.02389007
Cl       5.90687002       2.95426004      11.30210002       0.45292793       0.46340828       0.35586695
Cl       2.78488995       6.37367002       0.82890705      -0.34008564      -0.07295490      -0.31819698
Cl       6.30202004       7.38742998      10.25449999      -0.24094544       0.00365193       0.47512089
Cl       3.32895997       1.59848004       4.87994006      -0.85641728      -0.88408099      -1.37930164
Cl       6.57020002      10.86960006      11.91730002       0.35872847      -0.20890138      -0.76371836
Cl       7.93868004       4.93142997       6.19480000       0.08137647       0.62664152      -0.19044610
Cl       6.73153002      12.01779999       3.31673006      -0.00889145      -0.18839111      -1.09888131
Cl      11.84028574       3.25382001       9.01211995       0.52778835      -0.23350248       0.26653644
Cl       1.13387999       5.27310998       4.56880000       0.09374207       0.22809472      -0.12062180
Cl       3.17363006       1.95329002       8.43916005      -1.41539613       0.25407385       0.25620121
K        1.96279997       4.14841002      11.10230003       0.08969820       0.00706369      -0.14194423
K        0.53503103       0.11820106       5.03805998       0.01453264      -0.15952583      -0.07529395
K        6.86273002       4.49666002       8.92357000      -0.66845998       0.82114903      -0.19663639
K        0.00810329       6.89416003       2.31786996      -0.17112271       0.05218900      -0.42582134
K        4.47825006       0.57124396      10.57960006       0.26494538      -0.45616526       0.09162700
K        6.77891003       8.32717003       7.47752995      -0.85934717       0.16914889      -0.02597926
K        5.46925003       2.34814002       2.19404997      -0.30896928      -0.14950184       0.05681243
K        9.14480006      10.88770000      10.44539996      -0.17940967      -0.55869664      -0.10994097
K        0.66226095      10.37990000       9.38563004       1.02038671      -0.74782317       0.96732796
K        9.15399997       2.53527000       7.79677000       0.10836560      -0.32740104      -0.31173885
K        8.41141998       9.52323996       3.78232998       0.02637349      -0.18216231      -0.07490206
K        3.08473006       8.09216004       4.45475997       0.28665773      -0.35834734       0.10627632
K        9.19060004       1.68952997       1.67774003       0.29212403      -0.23931381       0.56778040
K        5.96035003       5.71069995       0.58858694      -0.11954286       0.37588645      -0.05544543
K        3.42458004       4.10704999       5.89298004       0.50558564       0.65525340       0.43926006
K       11.93610005       5.99258995       7.03737997      -0.68819071      -0.15515563      -0.61590037
Li       0.79722301       1.57667002       8.17253996       0.13237306       0.09455991       0.04694542
Li       0.60477803       3.52121998       3.35834997      -0.17419113      -0.26778097      -0.07988777
Li       8.38581997       3.38790006      11.31789994      -0.79516499       0.23327847       0.49360533
Li       2.01364994      10.92739997       1.27966994       0.21887001      -0.08296362      -0.28768997
Li       6.92685004       0.73028602       5.12588995       0.34300071       0.32341027       1.82535196
Li       5.80306003      10.99990000       1.61084001      -0.83739034       0.28804509       0.45694765
Li      10.33499997       9.64345004       6.84801000      -0.21447346       0.20929176       0.18480082
Li      10.30769999       7.07914996      10.18409999      -0.26042991       0.27113607       0.36764087
Li       6.42945005       5.87640998       4.39458002       0.49984042      -1.85215777      -0.03926830
Li       9.61432003       4.91273000       4.46964994      -0.72263932      -0.09595755       0.11645278
Li       2.52065004       7.77992006       8.26222998       0.17157945       0.12083192      -0.13286322
Li      11.42429996      10.63050006       1.63225996      -0.57727674      -0.39697503       0.32808283
Li       4.22637000       1.21837006       6.68092004       0.94405408      -0.46421613       0.88849724
Li      11.56470000       1.67477994      11.13839998      -0.14584082       1.09694145      -0.25651874
Li       4.90327996       9.30689005      10.76170006       2.17051360      -0.22062795      -0.87717795
Li       2.01040997       7.54929999      11.26529998      -0.04107089      -0.16694128       0.31062214
64
Lattice="11.93658117 0.0 0.0 0.0 11.93658117 0.0 0.0 0.0 11.93658117" Properties=species:S:1:pos:R:3:forces:R:3 energy=-548.27950308 stress="-0.010577578626467498 -0.001072542307565296 0.001707879851993906 -0.001072542307565296 -0.010942509029526341 -0.0038225919854840513 0.001707879851993906 -0.0038225919854840513 -0.006854667349044369" free_energy=-548.27950308 pbc="T T T" config_type=wetmd 
Cl       5.77883997       4.04253998       8.18210002      -0.15137399       0.03896347      -0.11667518
Cl       2.28313996      10.27399995       8.33838997      -0.48501032       0.15454555       0.05838566
Cl       4.93497000       9.35906996      10.23219996       0.59345834      -0.41707629       0.90407823
Cl       1.54862996       1.69871003      11.34179995      -0.62586704       0.10198291       0.05625582
Cl       9.71377000       4.13531002       1.40182994      -0.37825698       0.07440047       0.52153314
Cl       7.36311006       3.41385995       4.26076002       0.46631013       0.18483931       0.17146150
Cl       1.60131003       5.22443997       1.57276000       0.36891058      -0.07712107      -1.49374803
Cl      11.28990005       0.92348805       6.65325996       0.02221175      -0.08083630       0.23023122
Cl       2.02156996       6.18750996       9.81503005       0.24540957      -0.52697194      -0.31259917
Cl       7.18589002      11.10090005       8.17443996      -0.14669968       0.04511012      -0.40625369
Cl       7.98988000       6.92491995      11.86750000       0.28254376      -0.61118718      -0.20746627
Cl       4.65076000       9.69629998       5.68388996       0.97192865       0.21345621      -0.26597140
Cl       5.30969998       0.15331882       2.92702004       0.38720308       0.67869761      -0.46217984
Cl       8.58074005       9.95697999       0.18031889      -0.36169099       0.84798978      -0.23661143
Cl       3.40443005       3.87885997       3.97231003       0.23293316      -0.99920314      -0.05445515
Cl       1.73293006      10.62930005       2.66733005       0.51883265       0.18649830      -0.24116602
Cl       3.19350003       6.31660002       5.85953997       0.70872236       0.47895142       0.81975482
Cl       9.57973998       1.16998000      10.16090001       0.25941504       0.23470214      -0.02119662
Cl      10.89659997       4.76464000       8.90447004      -0.63703159      -0.25233314      -0.66121472
Cl      10.67310002       3.87938005       5.40508998       0.00709578       0.36463051      -0.12306979
Cl       8.27159000       0.00211886       4.81276996       0.16345670       0.81653067       0.25909206
Cl       9.20516004       8.33489005       8.52506998       0.27636622      -0.03167044       0.15688477
Cl      10.90890002       1.36189002       2.79202996      -0.14344073      -0.14634095      -0.13086110
Cl      11.88430002       8.83588006      11.01020006       0.13725575      -0.12910247      -0.22238399
Cl       6.23219001       4.30812999       1.21832996      -0.76244959      -0.42863081      -0.29810074
Cl       6.09642000       1.28317997      10.60750003       0.03062761       0.41853155       0.04372705
Cl      10.77420000       9.50478004       4.48879002      -0.11967176       0.42730055       0.04642139
Cl       8.06590003       7.16831997       4.67422994       0.57416939      -0.00970984       0.36053309
Cl       4.92691997       8.45660999       2.05822994       0.80012682      -0.79514073      -0.48699074
Cl       1.86355994       3.20894000       7.36705999       0.23699942      -0.37342444       0.49181513
Cl       0.33595102       7.27334995       6.68375995      -1.02601651      -0.33451542       0.76156841
Cl       4.94572999       1.54683995       5.91356005       1.13953785      -0.30227796       1.03483005
K       11.33349997      10.96269998       8.82025006      -0.16087438      -0.35533059       0.06053620
K        2.56558000       7.82511997       0.10981881       0.31371744       0.14777074       0.51951454
K        6.31418000       8.27017002       7.88803995      -0.40898133      -0.26133782      -0.25576868
K       11.65499997       4.43632994      11.48739998       0.97881673      -0.07228669       0.14389594
K        2.33103000       0.91644797       5.83810999      -0.70869619      -0.79549614      -0.11441627
K        3.64625002      11.83160001      10.84330003      -0.38275898      -0.66358616      -0.02559330
K        1.83855006       1.81265997       2.42300005       0.19066774       0.21768292      -0.26060547
K        3.60129996       3.70893999      10.73240000       0.37828331       0.39127850      -0.01004664
K        8.03876006       1.69063003       1.62991999      -0.59023740      -0.17154850      -0.27298652
K        8.31168999       1.60199006       7.23477999       0.29282965       0.79188535      -0.23207597
K        7.93734997       9.95426000       3.06868004      -0.14150564      -1.27117528      -0.42497651
K        1.92731000       9.19198002       5.49292006      -0.18234312       0.16744542      -0.35351270
K       11.21320000      11.17369994       0.69714397       0.37076748       0.21496570       0.16591961
K        5.59214003       5.95068998       4.10955995      -0.68005815       0.10449749      -0.38218291
K        7.90088001       4.25846999      10.21730000       0.07392409      -0.03430995       0.28976905
K        1.08161003       5.59464002       4.10353997      -0.88496268       0.24176223       1.10950693
Li       1.38171000       5.21447997       7.77090998      -0.58629387       1.14982465       0.06456894
Li       5.12586004       2.48856005       3.80891005       0.46078824      -0.19729586      -0.00116445
Li       9.70841000       3.21236998       3.50554996       0.13206113       0.05020071       0.16876616
Li       4.16426005      10.32910005       2.52617997      -0.92597123       0.30822129       0.54601104
Li       6.34295003      11.19599998       5.44583001      -1.01674934       0.23169075       0.36542910
Li       6.58236001       8.64452998       0.07691885      -0.63997192       0.12436727      -0.12869368
Li      10.47870002       0.19800998       4.62970996       0.25666716      -0.68703834       0.29550779
Li       7.48249998      11.36680005      10.43390001       0.23585867      -0.02405256      -0.05974465
Li       3.78613004       4.27636006       6.55759005       0.33559528      -0.38113022      -0.05475062
Li       8.83593998       5.08675998       5.36641999      -0.26205521       0.09824730      -0.04537336
Li       0.97271904       7.94232000       8.89509994       0.07016817       0.33180520      -0.23186353
Li       9.83036999       7.94377006      10.80980002      -0.45435976       0.16449049      -0.20005308
Li       5.66805000       0.86878102       8.27941001      -0.28303356       0.18808315      -0.15953936
Li      11.33790003       2.53710004       8.53260996       0.19210740       0.05746101      -0.24474008
Li       9.95771003       8.23316006       6.35716005       0.34594913      -0.10226409      -0.37880679
Li       7.97767998       5.46505996       1.74365997       0.09464573       0.28358349      -0.06815922
64
Lattice="12.57516967 0.0 0.0 0.0 12.57516967 0.0 0.0 0.0 12.57516967" Properties=species:S:1:pos:R:3:forces:R:3 energy=-548.00821974 stress="0.005147374467293188 -0.0025873588068774296 0.0030520845870028565 -0.0025873588068774296 0.0007522501416842546 0.0006259573925746301 0.0030520845870028565 0.0006259573925746301 -0.0010368867192497733" free_energy=-548.00821974 pbc="T T T" config_type=wetmd 
Cl       6.95362002       4.60637997       6.14502001      -0.71023418      -0.08342279       0.40029271
Cl      11.16219996       2.10640002       3.16518995       0.30126894      -0.94248162      -0.23444079
Cl      10.77299997       6.69388002       5.78541002       0.55501740       0.03000563       0.09104770
Cl       8.28860003      10.01010002       3.95308004       0.68700543       0.22204497      -0.69583755
Cl       9.03164002       4.57592002       1.20496999       0.17537323      -0.08718438      -0.28005024
Cl      11.60369996      10.52050000       8.13521000       0.25170620       0.14050791      -0.57477882
Cl       7.70777005       7.87391998      12.15050003       0.04414827       0.06703801       0.24414159
Cl       8.29418001      11.48880001       6.98656998       0.25691236       1.36050638      -0.13563049
Cl      10.85550000       8.48864005       1.15433003       0.67661243       0.64468863      -0.12741112
Cl       5.56745995       1.57113994      11.75369998       0.46522420       0.36771327       0.32504772
Cl       7.72935998       6.80557997       3.27599002      -0.05854276      -0.01651650      -0.18502036
Cl      10.32400002       8.05370001       9.70889000      -0.97822196       0.27332222       0.41345238
Cl       5.35037995      11.21280006       1.49778004      -0.05414277      -0.20618351       0.63873453
Cl       7.97269001       2.26330997       9.33732001       0.16358225       0.02938327       0.08262654
Cl       4.94572998       4.55802995       3.02439998      -0.00993497      -0.31149987       0.29944906
Cl       2.35621004       7.33816997      12.11079997      -0.16127647      -0.27401300      -0.44785539
Cl       5.18181005       1.03351006       4.70009994      -0.41240514      -0.55128498       0.68812290
Cl      11.88089996       3.50407002      10.22300003      -0.42075524      -0.32531849       0.21645473
Cl       3.08415002       4.01324003       6.06000998      -0.17835371       0.27343316      -0.25920435
Cl       0.99043897      12.28249995      12.10479998      -0.37719507      -0.10865074       0.22354745
Cl       7.61875998       8.44650002       7.10063998      -0.33240812      -0.96074492      -0.06031556
Cl       0.89586402       6.65702999       8.30387999      -0.00123234       0.06036775      -0.03360771
Cl       3.07234005       9.53550003       9.28379003       0.00627250       0.04200005       0.16037543
Cl       9.34956999      11.81119994      11.49309996       0.23590166       0.35457481       0.25022814
Cl       6.25259002      11.19280001       9.55185995       0.11058384      -0.45953297      -0.20970759
Cl       4.67858006       5.00496003       9.81356005       0.36374240      -0.36211066      -0.11706456
Cl       1.63786002      10.83259999       3.62216005      -0.51222436       0.67270420       0.52432545
Cl       4.00634996       1.18683005       8.24111996      -0.08652614       0.38267884       0.10833077
Cl       4.52490004       8.42360001       3.75501005       0.17636696      -0.17397770      -0.21263583
Cl       4.28093005       7.27563000       7.20347003       0.09935861      -0.70603956      -0.40340601
Cl       4.62768998      10.43330000       6.37517995       0.39015187       0.92449802      -0.67909116
Cl      12.33580773       1.74760000       6.86473998      -0.01507312      -0.64091308      -0.84454169
K       10.83200003       0.82181802       9.09168004      -0.28086417      -0.15237547       0.34190066
K        1.48057998       3.37156005       8.35907003       0.48990227       0.33470358       0.55913019
K       12.05289999       6.23513003      10.95170005       0.53496052      -0.15905640       0.41543261
K       10.87259997      11.91109998       5.52406002      -0.34767436       0.06696336       0.21787895
K        2.02351997      11.63660000       6.78777994       0.02767035      -0.14674822       0.75259934
K        2.10320995       8.41539999       2.11711998       0.03884115      -0.07166205      -0.40079517
K        1.46923994       1.63000997       4.39818005       0.17934596       0.40346966      -0.24380768
K       11.03300003      11.63219995       2.15730003       0.15315414      -0.20457950      -0.62297864
K        0.53754198       9.55894003      10.89430006       0.01954700       0.13000052      -0.20715904
K        9.38672006       3.96866004       4.35734005      -0.25393091       0.55233627       0.11847078
K       10.38820003       2.28519001      12.44389999       0.11088023      -0.06217642       0.12376252
K        1.72864004       7.00594002       5.28720997       0.25466230      -0.19719904       0.64886269
K        7.74578001       5.34322002       9.21589996       0.31006293       0.40984017      -0.23595001
K        6.17005994       5.55254995       0.51567803      -0.32552393      -0.08895277       0.11541339
K        4.02025005      11.76329999      11.41969995      -0.51046824      -0.31705355      -0.23337489
K        6.01316005       1.66904002       2.17867996       0.12530258       0.18284117      -0.78602981
Li       9.39460997       6.91914997       1.22041996      -0.91641809      -0.42438546       0.01263715
Li       6.70338999       9.02198003       2.41470998      -0.23827895       0.08110841       0.14693489
Li       9.18356002       9.59953997      11.75429994       0.02333697      -0.60212703       0.01124187
Li       5.85417998       6.48891997       5.01843005       0.01673203       0.16430038      -0.38286748
Li       3.92771994      11.15180005       3.55396000       0.71440123      -0.34973185      -0.05678745
Li      11.24469999       8.16679002       7.71448003       0.52470494      -0.35971770      -0.22532902
Li       8.84927001       9.78455001       8.35240003       0.06942906       0.14891781       0.29125856
Li       7.38646000       0.18608900      10.58060000      -0.12508566       0.32320459       0.06960303
Li       4.69018002       5.07921000       7.37915999       0.01653983       0.01459757       0.22925776
Li       3.34101006       7.03948001       9.49393998      -0.51149087       0.39224939       0.01063693
Li       5.62705996      12.55570004       7.23143997       0.11225026      -0.39240584       0.14099063
Li       6.87851997      10.28389994       5.64560997      -0.08271993      -0.26911535       0.36665169
Li       5.78679002       2.68238002       9.84068004      -0.57836034      -0.18790177      -0.20711144
Li       9.29774998       7.68184005       4.57810998      -0.61987433       0.66929433       0.02718562
Li       5.29138995       9.12507995       8.07664995       0.05953693       0.34370044       0.36170032
Li       5.02723996       3.16004004       5.43358997       0.35872690       0.13206845      -0.52493681
64
Lattice="12.757831 0.0 0.0 0.0 12.757831 0.0 0.0 0.0 12.757831" Properties=species:S:1:pos:R:3:forces:R:3 energy=-547.18528462 stress="0.002716563244960315 -0.00103486759104755 0.0012632009378525568 -0.00103486759104755 0.005436069061881046 -0.00027918335231770725 0.0012632009378525568 -0.00027918335231770725 0.002909311732231214" free_energy=-547.18528462 pbc="T T T" config_type=wetmd 
Cl       2.96417002       8.08668003       9.81478004      -0.82800795      -0.50407534       1.08373635
Cl       9.93589000      10.92130002       4.69397996      -0.49918014       0.10114708       0.31647497
Cl       6.29176995      11.34509998       5.47809998       0.33935191       0.17582042      -0.10259235
Cl       5.11791005       6.51632002       2.68580002      -0.13922668      -0.13920517       0.02719185
Cl      10.17139994       3.60363002      10.47760001       0.59006839      -0.51400523      -0.23069369
Cl      10.40260004      10.24940005      12.44180001       0.01262699      -0.35559430       0.12963327
Cl       7.96352997       9.01472995       2.46220002      -0.11081068       0.16263199       0.09497814
Cl       8.96910999       6.90199997       9.66954999       0.71697242      -0.60565520       0.07837030
Cl       0.56837502       0.30905106       5.73846996       0.17246900      -0.00374996      -0.09916003
Cl       7.85893004       7.39707002       5.80831998       0.02402251      -0.08189058      -0.59642456
Cl       4.83351006       4.23949996       5.85275002       0.13938867       0.02918858      -0.28487503
Cl      11.82929998      10.31560005       9.22696999       0.01930374       0.29269920      -0.40972098
Cl       9.40430997       2.57239004       3.59381006      -0.53246961      -0.47501436       0.49334853
Cl       5.98640003       1.31192999       7.81024999       0.13920143      -0.36699392       0.44142897
Cl       4.89397006       0.33736898       2.59710005      -0.15434217       0.52283026      -0.34543076
Cl       1.09172000       9.62602002       2.61148999      -0.17489071      -0.24050824       0.22464573
Cl       4.78242005       1.97297994      11.59499999      -1.17180559      -0.92328477       0.45273068
Cl       1.39665003       3.61458006       7.52881006      -0.66404603       0.04595880       0.11961818
Cl       3.55092997       8.37985001       5.45450998       0.17777725      -0.07072992       0.47817177
Cl       9.62819000       0.75055200       7.02573996      -0.24805788       0.28553791       0.03262474
Cl      11.42930001       8.17136001       6.30112003      -0.08867989      -0.64827908       0.33060568
Cl       5.75521997       6.80187995       8.15132001      -0.34725106       0.57407374       0.32262632
Cl      11.94859999       6.49975997      11.73679997       0.45891198       0.13431976       0.22205890
Cl       0.37364395       0.89959396       0.36816498       0.15857890       0.19509138       0.05343607
Cl       7.23447006       7.94330000      12.15760006      -0.83760328       0.87199856      -0.67637330
Cl       8.39688006       5.36769001       0.98542903       0.86291300      -0.66966947      -0.25630482
Cl       6.85924005      11.81390001      11.67520006       0.34146558      -0.08399350      -0.03387416
Cl       6.47574004       4.02116002      10.27099995       0.51447673       0.17828221      -0.40677383
Cl       3.78848997      10.56449997      12.57800006      -0.57133374       0.30943983      -0.44791153
Cl       4.65078998      11.01709998       8.98933000       0.33772525      -0.73471884      -0.35436262
Cl       8.22602004       9.72476002       8.82712005       0.04253808       1.35468895      -0.87346771
Cl       0.07103752       4.84372002       2.46549001      -0.12806056      -0.23620599       0.32375095
K        4.24517005       1.01434006       5.52665998      -0.41000842       0.01092081      -0.13623387
K       11.87430004       2.98687998       5.04662006       0.47167149       0.02551398       0.19561306
K       12.45560002       6.20400002       8.84627006      -0.01067686       0.09815050      -0.07266414
K       10.85940004       7.78371995       3.32847001      -0.17526410       0.15792711      -0.08669111
K        2.93226996       2.47598001       1.19628995      -0.27438759      -0.12912197      -0.01546245
K        2.23075995       6.43144000       3.49823005       0.19531214       0.33822400       0.16091484
K        4.19503994      10.20690001       2.55079001       0.16058739      -0.40173645       0.85306157
K       10.64209999       3.20664000       1.11165003       0.32385287       0.14149212      -0.82599734
K       11.99079996       1.71442004       8.85499004      -0.12752143      -0.10041196       0.02493377
K        3.80460005       4.68924004       8.80403003       0.22471327       0.00190815       0.23482679
K        1.02080994       9.95911997       5.93607001      -0.19356755       0.20287532       0.01395935
K        2.65300001      12.55410005      10.21329998      -0.35275979       0.15991623       0.38801338
K        7.50727995       3.76525005       7.44675999       0.16791321       0.32279195       0.20284339
K        6.66341998       4.04370999       3.42538998       0.20457827      -0.02608693      -0.26393165
K        0.92342801       8.92824002      12.30010005      -0.12583670       0.20658656      -0.10997123
K       11.94090000      12.27109997       2.99515994       0.27842303      -0.12035073      -0.32113246
Li       9.85672001       6.89124996      12.00559994      -0.60484326       0.20096970       0.19934026
Li       7.73538002       9.66065000       4.81042999       0.31928171      -0.35836449      -0.27272137
Li       6.81559003       8.23391995       9.67651998       0.51292051      -0.93321155      -0.05908936
Li       7.04498004       6.90810995       1.57727004      -0.29467805       0.94237582      -0.04065582
Li       4.97761997      12.63599601      12.58963201       0.24759701      -0.00239381       0.49812360
Li       9.30580994       7.76799005       7.51415999       0.04292911       0.28944731      -0.16971514
Li      10.00850005       9.42883996      10.30410001       0.16960363       0.20490643       0.11527791
Li       8.25376003      10.35300001       0.36001999      -0.18265861      -0.28570668      -0.01346537
Li       4.03593001       8.72168002       8.19492002       0.71606644       0.22212182      -1.12026284
Li       6.38875995       1.32105005      10.13979995       0.12509698       0.26979238       0.10223644
Li       5.25661000       9.46053998      11.33199999       0.00597820       0.30730997       0.16367482
Li       9.89242994      11.32299998       7.54646996       0.43371059      -0.48023796       0.03117728
Li       6.48835996      11.70180001       7.73086004      -0.10408608      -0.02012095       0.20065537
Li       8.39668002       0.05052764       4.98100998       0.31112605      -0.16794806       0.13461483
Li       8.48389995       4.84875005      10.88939996      -0.69642297       0.09315064       0.03187629
Li       5.33792995       6.64120005       5.87419006       0.08932366       0.24917594      -0.15061483
64
Lattice="13.34318018 0.0 0.0 0.0 13.34318018 0.0 0.0 0.0 13.34318018" Properties=species:S:1:pos:R:3:forces:R:3 energy=-542.49501664 stress="0.003197745313148936 -9.403732899608169e-05 0.0027605834479044722 -9.403732899608169e-05 0.002138079120321664 0.003126659854453919 0.0027605834479044722 0.003126659854453919 0.0006320267421542942" free_energy=-542.49501664 pbc="T T T" config_type=wetmd 
Cl      11.86279997       6.25792001       7.64664005      -0.05128163      -0.18178118       0.45620948
Cl       8.46969997      11.68830000       3.54838006      -0.35259619       0.35073846       0.84927442
Cl       5.98946003       0.47186302       6.60723993       0.42085895       1.09540682      -1.13333114
Cl       4.91478002      10.68189997       4.32426998      -0.41586989       0.32595665      -0.31917529
Cl       8.15934000       7.23764996       8.71316004       0.56224021      -0.20956771      -0.58570587
Cl      11.99559997      12.00850003       2.39356998       0.35364744       0.32461135      -0.03401876
Cl       7.36068996       8.86131003       1.27323000      -0.35288812       0.16627358      -0.35107291
Cl       8.44530997       5.67917999      11.93730002      -0.10016683      -0.13998355      -0.63968300
Cl       2.13850001      12.35749998       6.53063007      -0.38788522       0.01033774      -0.76376667
Cl       9.09565004      10.25740004       7.25634002       0.12488885       0.35500822      -0.89793458
Cl       7.68384003       6.30729005       5.25027000       0.11914425      -0.15695452       0.25659597
Cl       8.89583004       0.06081982       8.91729001       0.96497433       0.37053865      -0.40620523
Cl       9.64104999       1.92350002       0.27831205       0.51986941      -0.08634883      -0.56016864
Cl       7.78167997       3.77960003       8.86587007       0.23386918      -0.03472871      -0.82646820
Cl       6.59920000       3.61424000       0.69629304      -0.44602878       0.08468633       0.13568135
Cl       1.61540999       8.13972006       4.51182999       0.45004421       0.51050172      -0.20564359
Cl       2.78911001       4.96593003       0.84064904      -0.14192783      -0.44100976      -0.22609262
Cl       1.75711003       8.90157001       8.18071004       0.32356218       0.32614970       0.10173591
Cl       5.45921006       9.06028007       6.94796004      -0.38893317       0.09168197       0.55144606
Cl       1.11094998       2.25570998       3.63348993      -0.00938172      -0.10173827       0.37747360
Cl      10.58399999       9.12961003      10.46250006       1.74641592      -0.19247504       1.13916143
Cl       4.77653000       6.57977006      10.82330005       0.23030513      -0.58992924       0.05783943
Cl      12.41650005       5.41856006      10.99240004       0.26284817      -0.51848587       0.36142883
Cl       9.41193998       1.81075001       6.02561004       0.82959025      -0.17442907      -0.96683726
Cl       3.87682004       9.69086996      11.71150005      -0.43023880       0.18865251      -0.00936770
Cl      11.52520003       6.91763006       3.80153995      -0.13581658      -0.25373098      -0.47673367
Cl       7.24403000      12.15149996      12.49279996       1.02520803       0.91375998       0.32592001
Cl       6.53447997       1.80676000      10.88690006       0.01107274       0.33011541       0.34767419
Cl       3.47031005       1.67167004       9.72476003      -1.15396851       0.16209585      -0.40671886
Cl       5.58286998      12.27239998       9.04208998      -0.72730797      -1.50682564       0.61521097
Cl       7.05480996       9.80143995      10.19169995      -0.77230862      -0.57393624       0.48702332
Cl       5.93043994       0.19282897       1.65797006      -0.46321490       0.31172019       0.51775086
K        2.40564996      11.78100001       9.30043997       0.50235097      -0.21824942       0.47696825
K       12.47469994       8.69117995       6.23571002       0.11399562      -0.00924126       0.03020139
K       10.45389998       2.88747994      10.84390006      -0.73399304       0.39812661      -0.22685755
K        0.82463802       5.24761004       2.96188004      -0.27821194       0.54219314       0.31320349
K        4.10859001       2.43487006       2.71556000       0.33331220       0.10238753      -0.43664250
K        4.78319998       7.09149997       1.17994997       0.38319526       0.21759313      -0.25201791
K        2.25992002      11.26439997       3.19002000      -0.30519973      -0.08673283       0.06029115
K       12.11190007       0.35460302       5.10182005       0.03997334      -0.21253008      -0.31563192
K        8.87894999       1.09744001       2.86995007      -0.47851256      -0.00493983       0.14325154
K       10.69709999      12.32349995      12.54378011      -0.50743093      -0.11019807       0.08457910
K        1.58588994       7.25548005      10.69190002       0.12286356       0.21094549      -0.02317243
K        2.09712001       1.93284998       6.51681000       0.47527433       0.01613223       0.28614855
K       10.30009995       4.90745995       5.70963006      -0.01219562       0.02247471      -0.21376582
K        9.43933006       5.28431005       1.08313999      -0.05466154      -0.06185856       0.59775472
K        1.81202001       3.18945999      11.53730003       0.09817732       0.46111778       0.28052029
K       10.04710004       9.83577996       2.21980001       0.07398379      -0.78655486       0.02593735
Li      10.86579995       6.78605002       9.83049006      -0.07400550       0.22551860      -0.21333136
Li       6.18306998      11.39789996       2.55791006       0.58562184      -0.01415323       0.05556785
Li       8.92491004       9.37420000       9.37180997      -0.59547228       0.10014881      -1.09296051
Li       7.76804004       8.43441994       6.48767997      -0.26847089      -0.07547665       0.21446980
Li       5.48642001       0.99090499       9.06172006      -0.09799741       0.65117235      -0.20777975
Li       5.65993005      11.53300006       6.76617002      -0.20790756      -0.42430205       0.16809832
Li       7.45229996      12.92879998      10.39160001      -0.70404636      -0.38406060       0.12815574
Li       7.18649994       6.97376002      10.67060003      -0.45019895       0.43472428       0.01968793
Li       6.11271005       4.23123999      11.71249999       0.48323068       0.00319027       0.02908916
Li       8.50852996      12.47799997       6.27427995      -0.05984144      -0.10952537       0.31258856
Li       3.20055004       9.59951000       5.87092002       0.13997382      -0.56021756       0.29190770
Li       6.86854997       1.24426997      12.96149998       0.10117746      -0.16260331       0.73768779
Li       4.51991996       8.95709005       9.49819003       0.54208857      -0.05314110       0.06219996
Li       6.68824998      10.14379994      12.30920007      -0.45546621      -0.84274478       0.26762239
Li       7.64630006       2.04467998       7.27729001      -0.13515307      -0.17046030       0.67013932
Li       7.82848998       5.49046005       7.44365999      -0.42517822       0.14495435      -0.04541241
64
Lattice="13.47590508 0.0 0.0 0.0 13.47590508 0.0 0.0 0.0 13.47590508" Properties=species:S:1:pos:R:3:forces:R:3 energy=-545.19656727 stress="0.007522135495887022 0.00157004286377863 0.0012804913287123158 0.00157004286377863 0.0063904299545250245 -0.0004725218556877846 0.0012804913287123158 -0.0004725218556877846 0.00810308670807937" free_energy=-545.19656727 pbc="T T T" config_type=wetmd 
Cl      13.01959112       3.93326996      11.30750002      -0.07282070      -0.33513132      -0.06306400
Cl       8.30701995      11.45529998       7.15874994       0.03834936       0.40233256       0.17655951
Cl       6.00924001       2.02481996       3.55421000       0.18022055       0.21578094       0.09209295
Cl       3.87800999      12.33879999       0.60082700      -0.15989763      -0.95692176       0.30199020
Cl       8.57290994       6.75708994       3.69820004       0.47094811      -0.17368868      -0.36770900
Cl      10.48060003       5.25367000       8.21320003       0.15407011      -0.06924801      -0.26437803
Cl       5.37100996      12.18249997       4.13044994       0.67395537      -0.44204134       0.38408417
Cl       7.59525997       9.06170999       0.85671705       0.15806930       0.65632847       0.00878043
Cl      11.80120005       9.35809999       8.78084005      -0.38412197       0.02599535      -0.22120152
Cl      11.69029995      12.92250006       7.58788003      -0.01204632      -0.28465148       0.12034371
Cl       8.03725996       8.11040003       7.16856997      -0.22053166      -0.31070268       0.08212440
Cl       8.42990996      10.55009998      10.80529994       0.15690350      -0.12039276      -0.02025287
Cl      10.88149998      10.31099997       4.31330005      -0.08195394      -0.17526665       0.45293959
Cl       5.30461000       1.19936000       7.17602996      -0.33241800      -0.00017366       0.56914974
Cl       7.73814001       5.54299000      13.41682792      -0.08767623       0.09664019      -0.34780012
Cl       4.60379003       7.90809004       3.71477999       0.09641096       0.14204724       0.30722318
Cl       4.49276002       7.20500005      11.96560003       0.14576996      -0.58146632       0.16884507
Cl       2.38067994      11.90219993       5.83143002      -0.18521405       0.23994896       0.02487823
Cl       7.25642006       4.96986002       9.55503996      -0.09659875      -0.32617398       0.50330663
Cl       2.74525007       3.45417000       1.35711002       0.08700194       0.16065953       0.26780899
Cl      12.07999995      11.62419996      12.33840002      -0.35903340      -0.15694173      -0.08024063
Cl       5.08728003       5.40048001       6.61291002       0.21511777      -0.16213378       0.35708572
Cl      11.28770001       7.63030002      13.04220005      -0.27275749      -0.08118420      -0.27965423
Cl       9.29873997       1.50500997       9.42832993       0.10290673      -0.02812657       0.07074485
Cl       1.89802005       7.24229004       9.26528995       0.17266071      -0.05088612       0.15123898
Cl       1.35262996       8.94269996       0.94733605       0.00637747       0.32569937      -0.00505227
Cl       2.04228002      12.68476811      10.37069998       0.05692159       0.43945981      -0.36285824
Cl       3.98254002       3.14746002       9.96306005       0.44187072      -0.51748974       0.21971021
Cl       1.48774006       3.16620001       7.51613000      -0.27696067      -0.77581972      -0.33482816
Cl       4.76146998       9.63066998       7.85150000       0.19068657      -0.05606998       0.14945153
Cl       4.69181006      10.26029997      11.55910002       0.28871898       0.32101537      -0.66282133
Cl       6.98461995       1.57961002      13.12360005      -0.10630503       0.14405107      -0.70290006
K        0.91839506      10.78629999       8.04296997      -0.09421505      -0.14054120       0.41613560
K       12.62640006       6.68148998      10.46429998      -0.32729662       0.33600412      -0.74445721
K       10.00299993       3.96038995      11.12500002      -0.20823923       0.20983210       0.06709796
K        5.33280995       4.98106996       2.69633994       0.08139286      -0.06545505      -0.03636246
K        7.51119997      12.78579994       1.65116007      -0.70952859       0.43934137      -0.06977946
K        7.90458994       9.51557995       3.85301003      -0.47690737       0.16867519       0.59633331
K        4.55833998       9.37289006       1.18691999      -0.22994468       0.12411418      -0.46228284
K        2.19381994       9.86430996       3.56394000       0.14645023       0.16642929       0.20681958
K        3.68838002       1.28051999      12.91947202      -0.02587170       1.01398691      -0.14596051
K        6.54832998      12.85329104      10.40050005      -0.15885831       0.20429377       0.27775850
K       11.24730006       9.86169995       1.36127003       0.50930496       0.28309243      -0.06645234
K        2.95310000       2.05016005       4.74412002       0.38505875      -0.06396244      -0.24279382
K       11.80020000       2.34880996       7.42213004      -0.02489823       0.58388108       0.02438845
K        1.13273000       6.53175004      12.90799998       0.43983995      -0.49069966       0.16102492
K       12.59219996       0.75035901      10.62239997       0.10175049      -0.28486928       0.27385451
K       10.88179996       7.39677000       5.95247006      -0.20485515       0.07022178       0.00159802
Li       8.82554003       7.25585003       1.27985994       0.03446899      -0.88265730       0.10619587
Li       2.70303006      11.12040002      12.05829997       0.10007517       0.43109769       0.44397863
Li      10.69080002       9.99188999      11.32880004       0.22993456       0.09887284      -0.19515000
Li       5.58909996       7.69309006       6.76966997       0.00898104      -0.19875947      -0.29167572
Li       3.02983005       1.14377998       8.58557998       0.15324248       0.37491702       0.09126192
Li       6.51476002       0.77052207       5.32221007      -0.50452903      -0.27089432      -0.39198939
Li       3.94841000       8.48932995       9.94814006      -0.08164606      -0.13240727       0.33880771
Li       6.61569994       7.94941997      12.56029994      -0.14030022      -0.39638490      -0.25343654
Li       2.63723004       4.47145004       8.86103004      -0.17526198       0.82606980      -0.01046236
Li      10.61980006      10.80230007       7.01906005       0.12621466      -0.00250568      -0.07926265
Li       4.52212995      11.33690000       6.27154998       0.14522863       0.18144867      -0.42801826
Li       6.72785006       4.02380998      11.73350007      -0.15794940       0.07782756       0.36780801
Li       7.54775000       9.88817000       8.80389005       0.05690156      -0.27580291      -0.41916390
Li       8.18769998       5.76916002       7.65584993       0.14158861       0.23334208       0.09472199
Li       9.44985001      13.05371104       8.37586997       0.25345118      -0.14598366      -0.13060979
Li       5.72841993       3.77694003       8.31712001      -0.38220639      -0.03797315      -0.19552537
64
Lattice="12.65096557 0.0 0.0 0.0 12.65096557 0.0 0.0 0.0 12.65096557" Properties=species:S:1:pos:R:3:forces:R:3 energy=-547.12439058 stress="0.0034697826118722007 -0.0007136163361496981 -0.0004205713223199718 -0.0007136163361496981 0.004826192905086236 -0.00010284182646338114 -0.0004205713223199718 -0.00010284182646338114 0.0031688864411620805" free_energy=-547.12439058 pbc="T T T" config_type=wetmd 
Cl       2.03328001       5.28888000      12.01969997       0.06713412       0.53296848      -0.59009928
Cl       4.36663005       0.49252005       6.17514997      -0.05420326       0.22174516       0.71550762
Cl      11.11279995       2.21779004      12.59343581      -0.49760732      -0.45995553       0.34750507
Cl       1.70694001      12.37139998      10.35760005      -0.31496962       0.53806790      -0.10183887
Cl       7.59897996       8.60970001       3.46859999       0.09179860      -0.17261951      -0.08914809
Cl      10.59840005       3.66484999       8.09766002      -0.54775909       0.03907691       0.10760531
Cl       6.74432994       3.06352999       5.15759005       0.82234545      -0.11364261       0.57172345
Cl       5.93880994       6.69041001      11.10960001      -0.33273235       0.42936312       0.43549717
Cl       0.61163699      11.28779999       3.01698000       0.06848036       0.12899295      -0.54097123
Cl       6.70834996       9.95221997      12.34809994       0.47938763       0.11287797       0.32170878
Cl       9.74291999      10.94510001       6.71755999      -0.04394225      -0.28405341      -0.56377322
Cl       8.25844001       8.55952995       9.53032001       0.27486840      -0.73447792      -0.75030227
Cl      10.09839998      11.50149998      10.10699998       0.52584260      -0.02786807       0.64126209
Cl       6.03445997       2.84338004      10.89610004       0.20009681       0.21699824       0.45788934
Cl       5.12001997       6.70268005       7.74265002       0.30207432       0.23802518      -0.01051766
Cl       6.33628000      10.19290004       6.63111000       0.10545290      -0.23730378      -0.27058912
Cl       3.43986003       3.98700000       3.44829001      -0.07108214      -0.32622264      -0.02968727
Cl       4.51997000       9.48516998       2.58547998      -0.01592534      -0.09320317      -0.48259733
Cl       6.39537001       4.61932005       1.77485001       0.67682254       0.16141795      -0.52115609
Cl       8.78577995      11.86729999       3.06190004      -0.07325198      -0.22345595      -0.34997774
Cl       1.28194005      11.61159994       6.75983003      -0.37730800      -0.56255584       0.10036530
Cl       8.97546005       6.21355995       6.82128994      -0.43712043       0.43190682      -0.15847719
Cl      11.51009998       8.47603004       2.96121999      -1.10396699      -0.52991673       0.05257363
Cl       6.80959994       0.48866594       8.54263003       0.33987372      -0.34232937       0.22160943
Cl       0.84695899       8.12157996       8.63930998      -0.03618057      -0.00420671       0.56751839
Cl       2.43878002       7.16233998       4.64697000      -0.12583179      -0.15130530       1.07119186
Cl       1.28450997       2.94633005       7.93676998       0.58700735       0.07833652       0.52743454
Cl       5.18618996       0.67401802       2.21632000       0.39756545      -0.08719645      -0.26955004
Cl       9.42975002       5.14758997      11.37790004      -0.38248706       0.30397785      -0.06880268
Cl       4.16492002      10.33529994       9.60653006       0.47279922      -0.88395828      -0.38406471
Cl       1.01104999       9.45269002      12.04439997      -0.09038769      -0.65441490      -0.22382752
Cl      10.91849996       3.28793003       4.32814999      -0.55702013       0.12512438      -0.06499346
K       11.49839998       8.20944003       6.55965001      -0.31001812       0.28055601      -0.56931535
K       10.75920002       8.47210001      10.98560005       0.34035765       0.08071441       0.13711306
K        9.07217997       1.92513994      10.07270005       0.06606709      -0.19857120      -0.14335721
K        4.06388004       4.19433996       9.09779995      -0.07615568       0.01411462      -0.09157128
K        5.26761006       5.96024005       4.91774001      -0.17348991      -0.08591390      -0.45907830
K        8.33617994       1.57226997       1.18124001      -0.23717279       0.19797800       0.08107557
K        1.56360001       8.21545000       2.27213998       0.35863260       0.32347726      -0.72193517
K       12.02050002      11.92830004       0.24585596       0.29991203       0.08975129      -0.22963221
K        4.20616001      11.40449996      12.18210004      -0.55754208       0.33436882       0.48994051
K        3.24889004       9.06689996       6.95384005       0.02283698      -0.12264702      -0.17977034
K        9.32506999       5.71284004       1.99277997       0.22640628      -0.18889930       0.22571213
K        3.25351005      11.72940004       4.07745997      -0.28826662      -0.03364484      -0.26362505
K       12.53210001       3.73871999      10.65039994      -0.05585180       0.00209311      -0.45400491
K        3.58612000       2.98305998       0.48556696       0.19130415       0.12080885       0.33027136
K       11.37979997       0.14051503       4.50727994       0.02628151       0.21392385       0.55973505
K        0.55914598       4.60152002       5.79038995       0.13930239       0.17580970      -0.54106368
Li       6.25825998       8.03020002       0.76066701      -0.47477004      -0.07635666      -0.00122752
Li       0.54989395      10.63669996       9.15535994       0.44463125       0.39166379       0.03143298
Li       8.44605003      10.63310000       8.87843005       0.14150815       0.89503244      -0.67731576
Li       8.23038004      10.70230002       4.86543004      -0.14542081      -0.44069680       1.02428904
Li       1.89260001       0.83732794       7.76445004       0.19440151      -0.23505525       0.29275165
Li       5.55086998       3.08914997       3.28921006      -0.53277478      -0.30013773      -0.10954000
Li       2.05355002       7.46360995      10.70870002      -0.25125029       0.20378932       0.32908037
Li       9.52677002       9.36164001       2.79025003       0.27914268       0.39770962      -0.01453773
Li       6.89708997       4.84210002      11.69430006       0.12350572      -0.41836206       0.40721325
Li       6.59429999       0.77634396       6.34689998      -0.19465461       0.43753603      -0.08103032
Li       4.94674994      11.72619998       8.05275998       0.40324189       0.37753026      -0.27143962
Li       7.18288996       8.00963005       7.17512998      -0.04742616      -0.13731863       0.23300778
Li       6.22855994       8.94399001      10.16809997      -0.88996796      -0.07529294       0.41650616
Li       6.37280005      10.79490003       2.49910994      -0.01357523       0.05651812      -0.27569581
Li       9.13214997       3.78665994       5.98371999       0.30041032       0.05836377       0.03426186
Li       8.71238006       5.60868996       9.11957997       0.34062119      -0.00903619      -0.17726870
64
Lattice="12.7303992 0.0 0.0 0.0 12.7303992 0.0 0.0 0.0 12.7303992" Properties=species:S:1:pos:R:3:forces:R:3 energy=-547.81177842 stress="0.0017837585774862906 -0.001142543472570437 0.0022191690128549406 -0.001142543472570437 0.005754408421835836 -0.0013442361922149453 0.0022191690128549406 -0.0013442361922149453 0.004706853509218302" free_energy=-547.81177842 pbc="T T T" config_type=wetmd 
Cl      12.54429999       6.47381995       9.86825996      -0.17531597      -0.15574502      -0.01480729
Cl       4.48628994       0.22487206       5.51978996       0.06824998      -0.24409747       0.46127667
Cl       9.67516004       2.39520997       0.76412095      -0.03925636      -0.08030512      -0.08377143
Cl      11.60289995       1.28226004       9.57343995      -0.10154516      -0.23350378       1.19570480
Cl       8.55634000       7.03027003       1.82568997      -0.27047102      -0.00522719       0.02212033
Cl      10.09200003       4.24023004       7.58099002       0.26829291      -0.43019155      -0.44701096
Cl       6.26594004       2.69748006       7.61924997       0.05400945       0.20813081      -0.55843047
Cl       5.07329998       6.25730005       0.61378499       0.01461640      -0.07295723       0.14164341
Cl       1.67541003      12.32529995       2.73644005      -0.90720200       0.28324954      -0.42024206
Cl       6.28351003       9.21572999      11.38850004       0.19108793       0.12775951       0.39529780
Cl      10.17260001       8.17985003       5.10598999       0.07981314      -0.56191815      -1.79798800
Cl       8.98440005       8.04159000       8.10280005      -0.20848714      -0.43402408       0.51864389
Cl      11.21010005      10.06170003      10.29869996      -0.46372519       0.70080846       0.56789125
Cl       4.76463006       3.11948999      11.13760004       0.23269441       0.21679062      -0.04234848
Cl       5.09361998       6.84895006       9.11419004      -0.31182007      -0.73867496       0.14917537
Cl       6.03230004       9.74730003       7.65362001       0.05953035       0.11245033      -0.41672792
Cl       4.25936001       3.53250997       3.83679999       0.17149919      -0.63244328       0.14795548
Cl       6.12085003       9.05928001       3.81874001       0.25607675      -0.57303742      -0.20332681
Cl       8.05151996       2.52370005       4.47144005      -0.24356626      -0.09060180      -0.14205356
Cl       9.72461993      10.78439995       2.12530998       0.34961806      -0.30562044      -0.14157297
Cl      11.56199998      12.59904121       6.59418995       0.17812047       0.07611187      -0.40694419
Cl       7.40261994       5.79754995       5.34366005       0.68059438       0.34254238       0.16125701
Cl      11.92069998       6.95194001       1.44929001      -0.36077162       0.17892173       0.20008455
Cl       7.33764004      12.64360499       9.54173005      -0.43397009       0.04692233       0.09775332
Cl       0.15614306       9.42839997       7.69920998       0.28877527      -0.16159368      -0.14886760
Cl       1.60126004       7.82874994       4.77590003       0.50105576      -0.37432404      -0.08857705
Cl       1.18502996       3.21481000       7.67432995       0.11887389       0.45245044      -0.33357367
Cl       5.55057003      12.03619997       0.91988502       0.02722616       0.27594110      -0.12599046
Cl       8.58207004       5.50116004      10.56549997      -0.26753587      -0.07581888       0.46705073
Cl       3.83230005      12.54520003       9.62065000       0.11200011      -0.24939707      -0.05035220
Cl       1.97552002       9.78399999      11.72770000      -0.19710476      -0.04959050      -0.18379487
Cl       1.24530000       3.53609001       1.59552003      -0.34304414      -0.03269590      -0.17746093
K        0.58082803      10.49359995       4.94439004      -0.46523998       0.42055546       0.02010177
K        9.94445000       7.98616006      12.14189996      -0.04145068       0.10484523      -0.43957582
K        8.82756001       2.30200995      10.55470001      -0.35044708       0.08938343      -0.48253812
K        2.68327001       5.17280001       9.86180004      -0.01600827      -0.22794960      -0.11748019
K        4.84445997       6.16075996       4.46226004      -0.73355781       0.72537596      -0.06399062
K        7.90321005       0.45134294       2.45426998       0.22837870      -0.70637796      -0.03689313
K        1.96563003       6.80268995       2.04840996       0.21184613      -0.36052677      -0.43512940
K       11.37890005      12.57539997       0.07914986      -0.02475168      -0.46769557      -0.02776607
K        2.90148000       0.11564295      12.59680003      -0.15869335       0.03224661      -0.01696707
K        3.42064006       9.60127000       9.10131998       0.17607319      -0.18542025       0.01046861
K       10.18830003       4.28656996       3.14837005       0.04549928       0.31482987      -0.23892487
K        3.88039003      10.98329996       3.47588999       0.94846803      -0.54086527      -0.01975989
K       12.04689999       3.56316006      11.55719998       0.16761268       0.43096926       0.27076627
K        6.05041998       3.22297006       1.53476000      -0.19152845       0.31502393      -0.35439908
K        1.75718999       1.97767999       4.53183001       0.10229945       0.11730952       0.02425975
K       12.54543223       6.17509999       6.62040999       0.08095165       0.10545900       0.16035849
Li       6.30675994       8.23386995       1.20648005       0.13130124      -0.04423495      -0.26380950
Li      12.07700000      11.53249995       8.56718999      -0.27344514       0.12678923       0.13797821
Li      10.29920001       9.26129005       6.82916995       0.43724351       0.89385439       1.16635570
Li       8.10954003       7.79181002       3.81397999      -0.19810631      -0.00816870       0.38063231
Li      11.84979993       2.29964999       7.62518997      -0.15179691      -0.17461979      -0.14860132
Li       5.67998994       2.06106003       5.28226999       0.07943957       0.57338771       0.09722706
Li       0.36390597       8.94103000      10.12770002      -0.04717607      -0.18769640       0.18492326
Li      10.51329999       8.52419994       2.62589002       0.03572121      -0.01776994      -0.08376660
Li       5.82175999       5.51777002      11.09660001       0.11040034       0.01701319      -0.05349047
Li       5.04424997       1.59161001       9.02519996      -0.01511027       0.39820761       0.89758975
Li       5.74806995      12.18719994       7.67613996       0.19760155      -0.47824005      -0.00941275
Li       7.24419000       7.84442998       6.46129998      -0.06342636       0.32169051       0.44012132
Li       6.93149995       8.09282005       9.45375001       0.09772617       0.50027080      -0.01923733
Li       5.82078993      11.64460003      11.13099997       0.31680266      -0.22940434      -0.03679105
Li       7.96666994       3.69857001       6.46048002       0.17729587       0.26405122       0.14612206
Li      10.12650005       5.99838002       8.97044995      -0.14224185       0.35739511       0.16961500
64
Lattice="11.34724315 0.0 0.0 0.0 11.34724315 0.0 0.0 0.0 11.34724315" Properties=species:S:1:pos:R:3:forces:R:3 energy=-548.77062346 stress="-0.024564824370204668 0.000973906702758448 -0.0017831736107679946 0.000973906702758448 -0.027229434597676537 0.0053289407354707545 -0.0017831736107679946 0.0053289407354707545 -0.02948930395477158" free_energy=-548.77062346 pbc="T T T" config_type=wetmd 
Cl       9.40925997       6.18310996       7.58478997      -0.34268079       0.16568716      -0.22412045
Cl       7.63667002       1.46296000       8.19184002       0.22072749      -0.24535593      -0.17399388
Cl       8.94971002       2.43022999       2.53106000      -0.34795360      -0.44813513      -0.24277009
Cl       0.29065680       0.72397397       3.77344004      -0.19550288      -0.19502053       0.64038091
Cl       8.80922003       7.81862000      10.63869995       1.06203390      -0.64322901      -0.21099430
Cl       6.65516004       4.91059005       8.50594997      -0.05383681       0.30294032      -0.13931674
Cl       0.02113367       0.89797498       7.64665003       0.08583084      -0.74387142       0.08134240
Cl       7.69732001       8.14968001       2.34432001      -0.11327482      -0.08533867      -0.33911996
Cl      11.25650004       9.23675998       0.97311098       0.39785599      -0.37720773      -0.00934467
Cl       3.56210002       0.26785689       5.45488996       0.45617773      -0.56005102       0.14078874
Cl      10.56330002       7.26001995       4.41421001      -0.75920047       1.00667473       0.24652494
Cl       5.82219999       8.27271000       9.41699006      -0.19219547       0.49430463      -0.22600294
Cl       9.00182995       9.40208999       7.31785004       0.89352610       0.18265521      -0.45376325
Cl       5.87704996       2.91411002       0.18615686       0.91661460      -0.54818810      -0.87813144
Cl       0.63529504       4.13899999       7.94656005       0.27541709       0.23981399      -0.48396351
Cl       2.58109000       9.69619000       9.21938996      -0.39306617      -0.20674947      -0.28843061
Cl       3.27887998       2.54568002       2.80123003      -0.52371307      -0.22889886      -0.27262039
Cl       6.67452002       7.02488000       5.35203004      -0.49210716       0.11228345      -0.10177499
Cl       7.28809995       3.61827001       5.04597004      -0.54668373      -0.09905895      -0.35665974
Cl       7.08499996      10.99139996       4.91548003       0.22103049      -0.00850930      -0.49188231
Cl       9.85995999       3.54361002      10.57730002      -0.29102637       0.78812522       0.10748280
Cl       4.14839006       4.16573999       5.64914001       0.36435444      -0.23338442       0.82573117
Cl      11.21610000       4.32872998       4.48314996       0.25917591      -0.98351758      -0.08495330
Cl       7.96988998       0.10945687       0.26785689       0.06863727      -0.35241754      -0.47243517
Cl       2.05656005       6.56229999       6.33229999      -0.06598550       0.97729683       0.67521400
Cl       2.33709000       8.50113001       2.89283996      -0.65091039      -0.40767138       1.40409544
Cl       4.07740999       1.96319006       8.39591996      -0.45355131       0.57838970      -0.52568920
Cl       4.91635003      10.06079995       1.35835000       0.04699873       0.04403837      -0.29405032
Cl       1.01995682       5.50537997       1.17497004      -0.48304738       1.14109333      -0.10399032
Cl       1.46962004       1.58796997      10.51650002       0.19557119      -0.23320158       0.51349941
Cl       3.16357996       5.98384000       9.57708003       0.15111241       0.44553437      -0.78302881
Cl       4.99612001       5.24509997       2.04264005      -0.20344026       1.14333221       0.29554312
K        2.51016995       5.29328003       3.75120001      -0.23147567       0.52938777      -0.57518255
K        9.44594005      10.63440003       2.63198000      -0.38444373       0.28023711       0.42889136
K       10.31729996      10.28809998       9.89851997       0.13084691       0.66411747      -0.45067196
K        5.05700001       0.04135684      10.30350001       0.37231193       0.09646804      -0.43337101
K        4.76616994       9.09440995       3.91913002       0.88177072      -0.15574683       1.16215081
K        9.61904996       2.31721996       5.80265006       0.01143849      -0.78302476      -0.19734442
K        0.24525682       6.55285999       9.42308001       0.06057650       0.40493942       0.70495929
K        2.07411004      11.23689995       1.72500995       0.35524446       0.11465949      -0.07584775
K        6.65997002       5.98986005      11.30529999      -0.01255879      -0.02930447      -0.28503654
K        3.29221004       4.11964999       0.05655682      -0.11203776      -1.55870569       0.62155702
K        9.16112005       5.23268995       2.74002005      -0.49544800       0.45776537      -0.27306726
K        5.87151999       1.17151003       2.69302000       0.25008352       0.38750711      -0.13535479
K        0.34485690       2.86723002       1.72252002       0.14556750      -0.50185165       0.16728207
K        2.94327006       8.11208002       0.31830197       0.29239797      -0.41585122      -0.63529748
K        1.78111004       2.39599002       5.85899003      -0.05390538      -0.05484234      -0.72947525
K        0.55531104       9.66042995       5.60282998       0.38775224       0.08970379       0.16654550
Li       7.57968995       9.27912003       0.29467304      -0.73277242      -0.06038932       0.34554351
Li       8.34903996       8.18217999       4.41327999       0.02243903       0.03295707       0.59317354
Li       8.05664000       8.02075003       8.61464998      -0.81043265      -0.62335371      -0.06578276
Li       7.57533000       5.33008004       6.35815003      -0.25676173       0.21109262       0.49005850
Li      10.96170003       5.61007996       6.21512995       0.98359202       0.32346793      -0.24795208
Li       5.26403001       2.17424004       5.82638996      -0.08526513      -0.38585822       0.17588326
Li       2.28956003       0.38989003       8.36476996      -0.17979935       0.36087477       0.04308926
Li       5.53343002       4.98589002       4.03678005       0.69700210       0.02681453       0.90573959
Li       8.51379001       2.25763002       0.31114901      -0.91746502      -0.11872924       0.30938311
Li       7.38836000      10.75780005       7.02769003      -0.29723299       0.50201274       0.32267054
Li      11.29850005       2.65428006       9.25489004       0.32157490      -1.04510771       0.06575959
Li       0.38795680       7.45885996       2.59122002       0.15505657       0.21112157      -0.82563726
Li       6.05872999       2.88182995       8.80161000      -0.06156592      -0.26907860       0.66168158
Li       3.05374999       4.46537995       7.69101003       0.02730798       0.40192401       0.12265395
Li       8.86961005       4.41313996       8.74667005      -0.35578294      -0.34431566       0.27461327
Li       3.41664005       7.72289999       8.25797005       0.38509662       0.22874570      -0.40518119
64
Lattice="11.57405219 0.0 0.0 0.0 11.57405219 0.0 0.0 0.0 11.57405219" Properties=species:S:1:pos:R:3:forces:R:3 energy=-548.15777945 stress="-0.021522260924505435 -0.0010763271774237588 -0.0014092158821245484 -0.0010763271774237588 -0.021527337349847315 -0.0037885341173991 -0.0014092158821245484 -0.0037885341173991 -0.021173896385443997" free_energy=-548.15777945 pbc="T T T" config_type=wetmd 
Cl       7.85129002       1.72452996       8.87400000       0.72416163       0.56659870       0.45106822
Cl       5.04296998       0.87739302       7.50343003      -0.18789005       0.54975631      -1.54473956
Cl       0.71485004       2.13382004       7.20567006       0.15441951      -0.14325463      -0.25652809
Cl       2.92415003       6.45883003       2.82507996      -0.28380481       0.06160395      -0.18912369
Cl       9.80582000       4.52615996       8.83734000      -1.47145705       0.01747762      -0.71909703
Cl       3.72740997       6.82139000      10.13160006       0.60363519       0.34554923       0.31670493
Cl       3.43255994       3.86714998       5.20200000       0.35723244      -0.32034067       0.05591897
Cl       8.12438996       9.09875004       0.42644804      -0.01524793      -0.79676433       0.61173054
Cl       1.23864002       1.34715000       1.50496996       0.27892634       0.09083429      -0.08901209
Cl       5.45089004       9.33006002       3.91794005       0.63481595      -0.37883300      -0.23217062
Cl       8.49055999       6.21488999       5.57549004      -0.86366612       0.43561712      -0.21719931
Cl       7.33050998       7.44651995       8.67600998      -0.11414527      -0.51224863       0.11591894
Cl       7.92665006      10.23339998       6.81886002      -0.21048424       0.38520479      -0.18358291
Cl       4.95875995       0.52016800       1.93196000      -0.17857155       0.18001128       0.91314653
Cl      10.64330001       8.00225999       7.28412998       0.48552667       0.17270111      -0.21758883
Cl       2.69570995      10.74470005       5.90646997      -0.34699390       0.05981944       0.59877394
Cl       6.64878997       3.49961005       4.28959004       0.24187118      -0.26131076      -0.89092760
Cl       3.96058001       7.51093997       6.72440002       0.47222899       0.43469612       0.09298866
Cl       5.73768001       4.56681995       7.77825995       0.54964045      -0.22268731       0.72820541
Cl       9.15836995      11.55390003       2.41489995       0.13076249       0.45354079       0.86233249
Cl       9.11435001       2.43393996       5.77589996       0.01294496      -0.84226834       0.78752895
Cl       1.55216003       5.25143000       8.12868995      -0.33736391      -0.23201295      -0.23157383
Cl      11.50870000       4.95835000       4.75480004       0.42892471      -0.23613065      -0.42237224
Cl       5.81812997      10.36979995      10.12169996      -0.80086686      -0.28530384      -0.45293627
Cl      11.42260005       7.82417004      10.83390000       0.00425052      -1.40089607      -0.61364169
Cl      11.35740005       9.22238002       3.62377000       0.14869396      -0.51637743      -0.20495138
Cl       3.46393998       1.86399995       9.98409999      -1.40817611      -0.19533089       0.86938689
Cl       2.53129001       9.81379001       0.21454786       0.02608702       0.30860966      -0.20249034
Cl       9.80437996       4.57395003       1.65509004       0.00323670      -0.74899125      -0.02178400
Cl      11.27919997      11.38460000       9.11147004      -0.20561956       0.06950618       0.05207152
Cl       7.03745000       3.47855002      11.53810006      -0.54615631      -0.14745929      -0.24007066
Cl       6.63188005       6.20724995       1.81321995       0.22124780      -0.28271468       0.07391288
K        1.46173994       7.16597997       5.30995998       0.25038460       0.64803062       0.28093668
K       11.44420000       6.69219996       2.25403995       0.85428058       0.20631633      -0.29416602
K       11.11620005      10.10200000       0.69140598       0.16638389       1.22549962       0.28959398
K        2.46461004       9.39968003       8.68620997      -0.40810652      -0.09255793       0.52137293
K        8.23580005       8.15059003       3.36977002       0.18238093       0.65407959      -0.41112602
K       10.92129995       2.27789002       3.61982996       0.38938711      -0.26643609      -0.88113200
K        9.15398003       9.36884999       9.44533006       0.75022661       0.94855792      -0.00297839
K        2.77386003      10.19180006       3.13999997      -0.41165737       0.23027747      -0.45938095
K        8.90545006       6.30554005      11.08649999      -0.47540023       0.23705889       0.46480223
K        7.18826997       0.25161202       0.43674779       0.88987443       0.65828480      -0.28331165
K        0.17889098       3.60717999      10.49790006       1.13824086      -0.79179491       0.88162320
K        7.09420997       0.30294781       4.53617001      -0.20070442       0.36975070      -0.28939920
K        4.57050004       3.40658997       2.17378003      -0.72972901       0.28925745      -0.11998769
K        4.59862001       7.99713997       0.99708596       0.12882534       0.36241546       0.32145633
K        5.38047999       6.11500997       4.45462005      -0.27015747       0.25710368       0.41289050
K       10.99190005      10.83190001       5.83383006       0.01507359       0.45554440       0.74745540
Li       3.50993005       0.32914776       0.37584778      -0.96936570       0.05936785      -0.57499901
Li       8.43700997       8.12165999       6.81994000       0.19507084      -0.03810600      -0.18550675
Li      10.08200003       1.87583997       7.92563999       0.00337234      -0.30694250      -0.02347247
Li       4.74828998       9.59482005       5.93010997      -0.35676319       0.01102240       0.49905957
Li       9.71220004       4.48324997       5.66461001      -0.24257860      -0.34538679       0.28352246
Li       6.63051003       0.07964777       8.54696995       0.34269322      -1.07145054      -0.24542612
Li       2.84928003       1.16487997       7.80271997      -0.49651354       0.11914758      -0.18219041
Li       7.62093003       4.19796000       2.24025005       0.20184341       0.04938457      -0.11782887
Li       5.61860998       2.97726995       6.15113004      -0.66256406      -0.19534657       0.20695299
Li       5.66411001       8.22828004       9.76108999      -0.71944709      -0.27454727       0.07129115
Li       1.44100005       3.89745999       6.06796005       0.05232311       0.08616774       0.35649076
Li      11.15279998       6.13394002       8.33604998       0.45801768       0.79619688       0.14380938
Li       3.63079996       5.81245996       8.24580003       0.52594819      -0.08115957      -0.36298169
Li       7.83502998       5.68815001       7.62700005      -0.12974079      -0.59158228      -0.49770462
Li       5.32522998       2.62750001       9.68057001       1.09420441       0.36716056      -0.33059109
Li       7.58412004       3.95563997       9.37752000      -0.07396599      -0.58391596       0.18102666
64
Lattice="11.07115743 0.0 0.0 0.0 11.07115743 0.0 0.0 0.0 11.07115743" Properties=species:S:1:pos:R:3:forces:R:3 energy=-536.92220528 stress="-0.06699603838708068 -0.0033272761509515595 -0.0017260896421139441 -0.0033272761509515595 -0.06227113935177951 -0.005332300901840747 -0.0017260896421139441 -0.005332300901840747 -0.05404137470609633" free_energy=-536.92220528 pbc="T T T" config_type=wetmd 
Cl       7.62184002      10.51960001      10.27680000      -1.11513985       0.34384155      -0.79757364
Cl       3.70091002       2.41402004       6.96816999      -0.25737488      -0.34122535      -0.03869707
Cl       7.21103000       4.05458002       6.48552000       0.25535911      -0.24793164       1.41021703
Cl       4.07017995       7.25850002       3.73561001       0.76107413      -0.88864641      -0.36941314
Cl       9.62139999       5.13185003       9.60205005       0.56793393      -0.56551955      -1.05290281
Cl       2.58217996       4.80185005       0.33454259      -0.64715168      -2.04478854      -0.11312998
Cl       2.45858001       5.21255998       4.84363005      -1.51280051      -2.08331923       0.80988242
Cl       6.64962998       7.93314004       1.89345998       0.08450087      -0.38157844      -1.47792987
Cl       3.17954995       1.30729998      10.18070003       0.54906465      -0.28827056      -0.35312259
Cl       8.82603996       7.97253997       7.58775004       1.12074037      -0.00129211       0.22963234
Cl       4.91910002       8.25240001       7.71328003      -0.55568440       0.66391631       0.01148642
Cl       6.86668003       8.80878003       4.87867004       1.59263657      -0.57147180       0.88144003
Cl       0.27404259       2.68466999       5.87217002      -0.59566543      -0.41374692       0.08114689
Cl       5.22068001       1.99774995       1.96955005       0.63534034       1.06144829       0.23321959
Cl      10.32870004       9.85541005       5.50587004      -1.46186748      -0.25971310       0.08328257
Cl       2.03828002      10.75760000       3.91662997      -1.02868402       0.67395481       0.68547849
Cl       5.06411004       4.20597998       4.21098005       1.29959993      -0.79528395      -0.00132908
Cl       2.26340005       8.75785005      10.03510003      -0.44490914       1.03342030       0.91560184
Cl       5.12418004       6.33681997      10.25119994       1.42773191      -0.23676718      -1.81756289
Cl       9.52040004       0.14884252       2.09752001      -0.14264279      -0.03118350       0.35349701
Cl       6.00557005       0.81020402       5.00476000       0.65802975       0.16138651       1.19511831
Cl       1.82651003       6.07431995       7.89519996      -0.65168579      -0.63597545       0.11317617
Cl       9.70782001       6.12968005       4.97539000       0.88488805      -0.16195609       1.78132605
Cl       8.58067001       3.22762003       2.95745002      -0.23713150      -0.15874887       0.57495461
Cl      10.10980001       8.77389005       0.19694261       0.22092591       0.71795718      -1.09293858
Cl       1.30745996       7.86162003       2.25756001      -0.60834285      -1.43958348       0.96784292
Cl       2.19694996       9.82987996       6.82063995       0.27823011       0.51331263       1.30882556
Cl       4.03103997      10.00469996       1.79354001       0.35689781       0.31579630      -0.16948304
Cl       0.82851903       2.33767002       2.09533999       1.50553249       0.44424832      -1.95154059
Cl      11.01189995       1.23296004       9.98602004      -0.22614231       0.26494103      -1.06743751
Cl       6.83063001       3.71902996      10.84369995      -0.47510534      -0.90480606      -1.03512103
Cl       9.52951005       6.09296001       1.60536997      -0.85642330      -0.65717959      -0.68229495
K        1.47417997       7.67160997       5.14303001      -0.55205526       0.52829106      -0.32276860
K        3.61825995       7.28714996       1.03499003      -0.76666040       1.20836097       0.97548116
K        9.70379996       8.45680003       3.02977003      -0.48296872       0.28844321       0.09374645
K       10.87789997       9.80748002       8.56032000      -0.19921483      -0.06435261       0.34254864
K        7.40420996       5.98605005       3.61049995      -0.77831898      -0.34408312       0.21226119
K        0.32737202       4.85848001       3.11672999       0.49521453       0.02521962      -0.14453051
K        8.00817005       7.41275999      10.17279999      -0.84529396      -0.04859267       1.13754880
K        4.31207001       9.50674000       4.83121994      -0.32615491       1.59788208       0.61131595
K        0.64564256       6.46689998      10.81409999      -0.40874956       0.77963470      -0.10835000
K        5.10980005       9.03108001      10.47710005       0.65671350       0.90266431      -0.29776928
K        4.34649002       3.96683003       9.26775003      -0.20365097      -0.26206102       0.22233563
K        6.81105001      10.59420001       2.42111001       0.04349285       0.35598668      -0.05337095
K        3.04801995       2.30928003       3.78053998      -0.08116934       0.07018527       0.50737249
K        4.91791995       5.06899995       1.66551005       1.06956331      -0.68327843       0.49179412
K        4.72821998       5.92386004       6.16178995       0.24491025       0.28932207       0.83237171
K        1.22243004      10.29610002       1.31502998      -0.25014543       1.42423637      -0.94662999
Li       4.60189000       0.66108095       0.67109304      -0.51692731      -0.59698663      -0.89699131
Li       7.99873001       3.98762000       8.95639000      -0.58974632      -0.31351849      -0.37129438
Li       9.29753996       0.56644260      10.95539995      -0.30997693      -0.32374432       0.79061499
Li       0.71504255       0.13854258       5.74756005       1.23880268       1.14206001      -0.40391990
Li      10.42350003       1.73183005       3.21624995      -1.39075480      -0.32433906       1.14197108
Li      10.15949998       6.27719005       7.58339997       0.42880177      -0.33796887      -0.26340520
Li       5.88855002       2.21427998       6.90849999       0.25167455      -0.18402459      -0.78942357
Li       8.53331003       4.31296999       0.71281702       1.19247242       0.17507875       0.87199271
Li       3.18243996       0.38994255       8.10748996      -0.16585989      -0.05390553      -0.01736330
Li       8.18041999      10.44200005       5.65502001      -0.24762953      -0.00774026      -0.22938461
Li       1.96952005       3.88977001       6.88272003      -0.30014224       0.52773727      -0.73586313
Li       9.33753994       4.00279003       5.85474003       0.41157681      -0.14827386      -0.67587358
Li       2.73150995       7.99531998       8.27447999       0.61372498      -0.12879233      -1.15697770
Li       6.90079004       8.24495000       7.23279999      -0.56453507       0.37028005      -1.11063087
Li       6.36886001       2.56721995       3.77375004       0.68046167       0.22485218      -0.34964239
Li       1.41382998       2.51270004      10.74599997       0.27081048       0.82619179       1.02718286
64
Lattice="12.42178532 0.0 0.0 0.0 12.42178532 0.0 0.0 0.0 12.42178532" Properties=species:S:1:pos:R:3:forces:R:3 energy=-546.10141278 stress="-0.004840848218174175 0.0011741219510872044 -0.001346181470881191 0.0011741219510872044 -0.002143947462099929 -0.00022070114830625797 -0.001346181470881191 -0.00022070114830625797 -0.0037742060716006677" free_energy=-546.10141278 pbc="T T T" config_type=wetmd 
Cl       6.52448995      11.95870005      10.44760005       1.52776826       1.16603412       2.08255811
Cl       3.64906005       4.38490003       8.77908994      -0.18522747      -0.17802209      -0.32125227
Cl       1.22556998       4.81551004       5.89832005       0.06338407      -0.09959705       0.70795822
Cl       3.43240002       6.11959999       3.01340997       0.95361735      -0.55574057      -0.35271356
Cl      11.40169999       3.47593999       2.04726003      -0.30885939      -0.29338300      -0.48102755
Cl       2.29215006       4.29110002      12.08949995       0.54636797      -0.19042788       0.50174117
Cl      10.23620002       6.31170998       3.87651002       0.73964984      -0.28902702       0.67379093
Cl       6.03514005       8.18060000      12.26570000      -0.29144992       0.24603957       0.18864673
Cl       0.38743399       1.75410006      10.36980005      -0.20107816      -0.00460576       0.18152845
Cl       8.28325004       8.44636994       5.53112002      -0.33180434       0.47193922      -0.00951725
Cl       6.10830995       9.20417996       8.69925004       0.12731216       0.24332442       0.76862816
Cl       7.86040998       5.81790998       1.91246999      -1.34992643      -0.17179679      -0.30133624
Cl       3.92546005       0.46396499       7.72199999      -0.23357625       0.04250815       0.53943190
Cl       2.78129997       0.78450903       1.11078002       0.49171675       0.22901625       0.27529763
Cl      10.74499995       5.81616000       8.69879006      -0.94169008      -0.31646185       0.19520608
Cl       3.97366006       8.49767005       6.26376003       0.18968532      -0.10882116      -0.96378522
Cl       4.51870999       2.83380002       4.44424996       0.57670761      -0.05274670      -0.12125804
Cl       2.81897002      10.17410003      11.31700006      -0.20704761       0.45799929       0.12305087
Cl       6.69241000       3.61158005      10.76629995       0.17950898      -0.56018461       0.53407745
Cl       0.30453398      10.18429994       4.43743996      -0.24183541       0.09065855       0.05341537
Cl       7.73845997      10.30969997       2.08470003       0.27695079       0.07916959      -0.29518906
Cl       7.30869999       5.79186994       7.64068002       0.70292230      -0.55148435       0.40165817
Cl       9.92593003       7.49139998      11.98580003      -0.58807110      -0.10921408      -0.13601965
Cl       7.07462995       1.27092006       1.73104000       0.22042676       0.21906804      -0.31297963
Cl      12.32100005      10.73280001       8.72790001      -0.66802213       0.54380105      -0.44297045
Cl       0.39112997       7.87293002       1.28292994      -0.36158995       0.00035330      -0.24506594
Cl       6.09831998      11.48809996       5.58698998       0.28303694       0.32841075      -0.25637689
Cl       3.29963001       9.64377005       2.52476004       0.33704885       0.07812053       0.56827120
Cl       0.81307603       1.31936999       4.87314004      -0.86267075       0.14619758      -0.11679583
Cl       1.62971004       7.30613004       9.61606002       0.35364883      -1.21893333      -0.37058400
Cl       9.81391000       0.20691465       3.91117003      -0.38726395      -0.20953843       0.11583513
Cl      10.88739994      11.28379998      12.13090003      -1.08906633       0.21587993       0.45498622
K        1.15239995       7.25918998       4.07950000      -0.28369527       0.40205502       0.38062010
K        3.05239003       7.59748997       0.23177300      -0.10321822      -0.27642798       0.20483022
K       10.42330005       9.07608999       2.77996003       0.04947074      -0.25989440       0.09660772
K        2.91255004       9.67605998       8.53593995      -0.45977677       0.42746759      -0.08789361
K        5.25651000       4.12011999       1.60611001      -0.09077223       0.16918732      -0.11611754
K       12.00160005       4.95545002      11.35079998      -0.09949140       0.22633556       0.21877495
K        8.98772998       9.72054997       9.97915999      -0.48709062      -0.27328320      -0.21493214
K        5.94228000       8.35029998       3.48020998      -0.47420124      -0.36618090       0.04212435
K       12.07800136       8.77963998      10.70419997       0.23069288       0.09814498       0.66758168
K        3.64013003       2.05218999      10.47690006       0.44677806      -0.37536651      -0.55582168
K        5.31707999       6.50842001      10.13819996      -0.11012118      -0.25726770      -0.74642772
K        5.00790995      10.89729998       0.68223699       0.14547278       0.40512100      -0.25872758
K        3.26981996      12.12209994       4.79901999      -0.05922055      -0.32874313      -0.13903998
K        1.81027000       3.42777998       2.70758002       0.36946878       0.20767968       0.60511017
K        4.75780998       5.70691996       6.35597004      -0.48353921      -0.24362729      -0.50593991
K        0.92511805      10.89610003       1.38329995       0.26422787      -0.15359385       0.12729057
Li       7.25215006       1.41374003      11.74859996      -0.57609736       0.37262535      -0.27148836
Li      11.09639996       1.97714998       3.64720001       0.75164236      -0.00597160       0.30370320
Li       7.70526002      11.36429998       4.13885005       0.44988209      -0.20067261      -0.04860014
Li       5.38392994      11.49939994       8.88860997      -0.83738535      -0.40244759      -1.53315426
Li      11.65209995      11.89899995       5.38284005       0.44825221       0.05605129      -0.11584105
Li       7.95958998       7.64483002       0.54107906       0.36850236      -0.29775183       0.24174638
Li       8.87844000      12.07730002       1.00949005       0.14379960      -0.30121749       0.54118879
Li       6.69499001       2.27125003       4.11285995      -0.45656086      -0.38484977      -0.06918574
Li      11.40169999      12.17940002      10.21089995       1.05439020       0.51338806      -0.42619160
Li       9.31149996       6.25387005       5.95617004      -0.36189293       0.52792567       0.32328578
Li       9.63438005       4.78677994       2.39225996       0.56242099       0.21345543       0.11053916
Li       8.38706995       4.43810999       9.57383005      -0.01567875       0.74398104      -0.79892909
Li       0.35680895       5.82100002       8.15578997       1.16553676       0.16389312      -0.55764047
Li       6.07560004       9.45236996       6.57812995       0.23142476      -0.38312539      -0.48202533
Li       2.46004005       3.19386000       7.23111997      -0.06980851       0.00819194      -0.35002495
Li       1.74718994       2.07817003      12.22683931      -1.03398549       0.32638247      -0.22463213
64
Lattice="13.79712798 0.0 0.0 0.0 13.79712798 0.0 0.0 0.0 13.79712798" Properties=species:S:1:pos:R:3:forces:R:3 energy=-543.2524462 stress="0.00312603306962448 8.213894666262751e-06 0.000616769934831894 8.213894666262751e-06 0.005419586977660634 -0.0006177558311304002 0.000616769934831894 -0.0006177558311304002 0.0058658604226213915" free_energy=-543.2524462 pbc="T T T" config_type=wetmd 
Cl       7.55074002      11.05159996      13.03619995      -0.17822384       0.24097401      -0.08566281
Cl       2.21377002       3.21796004      10.74680001      -0.29604996      -0.15041395      -0.40716387
Cl       1.61012994       3.66102003       5.20903999      -0.10675042       0.47561908      -0.43369539
Cl       4.87471006       4.18325995      12.60910006       0.47616105       0.15205635      -0.33190008
Cl       1.62058996       7.93322000       5.52446993       0.17688977      -0.49921312       0.28889742
Cl      11.88149996       8.83491005      12.48729998      -0.54627466      -0.36711715      -0.42572484
Cl       7.38221003       6.87635006      10.07500005       0.50918069      -0.42335181       0.00843730
Cl       7.21011997       7.64477007       2.50047006       0.00443166      -0.87304583       0.08854344
Cl      12.91329997      13.05748299      11.06610005      -1.00444756      -0.02004062       0.47892835
Cl       5.16251001       6.54985993       6.85873996      -0.13717293      -0.09430879       0.07131464
Cl       4.57047000      10.05130004       4.88355002      -0.00762866       0.32726493      -0.12357726
Cl       5.86713002       3.80572003       2.11209995       0.57061848      -0.01224083       1.02831598
Cl       1.01192993       0.76098998       7.34437996      -0.25855476      -0.42175582       0.08840186
Cl       3.36419000       0.29060504      12.90089994       0.15978156       0.14687178      -0.73103145
Cl      10.57449996       4.37876001      10.79830000       0.19857236       0.28367914       0.12001747
Cl       2.06512997       6.61623005       1.96699997      -0.42111160      -0.30710516       0.41102485
Cl       5.17276997       0.91920702       5.10925006      -0.76208005      -0.01435208       1.16603507
Cl       4.16260000      10.33149998       0.68985405      -0.18690808      -0.09508149       0.32319274
Cl       5.95705005       3.53654000       8.29945993       0.38432630       0.14147666       0.30100044
Cl       0.01449664      11.07099996       5.25068994      -0.17008779       0.41757431       0.03877216
Cl       6.93779999      13.41993395       2.37121001       0.38615976       0.58135675      -0.16069433
Cl       3.87434005       8.95929999      11.23469998      -0.12194984      -0.54463026      -0.54596179
Cl       8.86782006       5.71840002      13.64229896       0.22349125      -0.50244945      -0.17374253
Cl       4.52628001       0.17787395       9.12465995       0.11412949       0.09319879       0.06650217
Cl       0.73039305      10.46870000       8.93699997       0.00630720       0.41658222      -0.36795933
Cl      11.45299994       6.90858002       2.68828002       1.14748150      -1.03684133       0.70962900
Cl       8.94731001       1.37010006      13.00430003      -1.40411135      -1.82411671      -0.39005720
Cl       1.47145004      13.39898895       2.95682994      -0.07059288       0.49965314       0.56160098
Cl      12.38490004       3.03955007       0.15716805      -0.12059290      -0.35765200      -0.18833531
Cl       0.45273302       6.77630998       9.62729994       0.42323978       0.03779870      -0.18985114
Cl      10.78909994      11.41479997       1.36255993      -0.35655934       0.50559901      -0.14596177
Cl       0.16321795      10.86410002       0.69258202       0.24099594      -0.09174715      -0.08689906
K        3.94294006       5.47292994       4.18381005       0.08764456      -0.03122961      -0.09208641
K        4.63715994       6.65620999       0.48934702       0.36951446       0.15746733      -0.08361894
K        2.19155002       9.70422004       2.92562000       0.01087173       0.01505186      -0.05925490
K        2.88776000      12.66660001       5.79727006       0.27367071      -0.63915123      -0.14925932
K        7.75113999       3.86622003      11.26270001      -0.48341294       0.29350148       0.28239434
K       12.12639995       5.95580996      13.54798096       0.16286609      -0.07549769       0.09943400
K        9.89175005       8.17987995       0.97735295      -0.77480790       1.31122471      -0.32598557
K        6.64156006      10.46180005       2.33742002      -0.10764754       0.20455508       0.11726001
K        0.99364005       9.11943001      11.74520007      -0.07950166      -0.01616496      -0.01557872
K        1.76501001      13.21720006      10.52899993       1.03506054      -0.12542790      -0.48710594
K        3.68604996       6.20475996       9.88695996       0.07259768       0.04937322       0.21586658
K        6.38890001      13.40412493      11.55149998       0.02613163      -0.08905704       0.30875543
K        3.94986001       0.70681597       1.79614006       0.52417021       0.06286565       0.52083906
K       13.06820005       2.57929002      10.68079993      -0.15401443       0.15989637       0.13966529
K        2.92823001       3.13942002       7.85655005      -0.04019726      -0.06170946       0.03660245
K       13.69136996       0.02338972       0.19228602       0.08905962       0.13611945       0.35884798
Li       5.00242993      10.19959998      12.49460004       0.72049743       0.22382799       0.48144491
Li       4.02495005       2.36540004      11.77860002      -0.57232646      -0.19468073       0.16866549
Li      13.06269996      11.09310006       2.93787006      -0.24919617       0.25618801      -0.18438212
Li       8.86676003      13.00338900       0.68840204      -0.19639638      -0.32199404       0.15410307
Li      13.56621193      12.33269999       7.52025996       0.35172518      -0.63268371      -0.21324076
Li       7.99584006       5.32686002       2.55832004      -0.51413330       0.54028701      -0.76503315
Li      11.98039998      11.15780004      12.50071796       0.06540535      -0.06956641       0.49926154
Li       6.63687993       1.82638005       3.98183996       0.34427712       0.06149423      -1.32434189
Li       9.79421001       6.93316001      11.17939999      -0.40574423      -0.38840425      -0.03964626
Li       0.87820003       8.15746996       7.77262005      -0.23565672       0.26891344       0.18721959
Li       0.29583402       5.59957998       3.48310993       0.11158492       0.51219005      -0.13311457
Li      10.11069998       2.90728003      13.30772495       1.57894034       1.84865064       0.28598577
Li       7.11179998       5.54546999       8.24912001      -0.48168798       0.55729164      -0.12471707
Li       3.86419999       8.28332999       5.97610002       0.04556486       0.05577627       0.16555093
Li       5.86091994       1.42223003       7.88278004      -0.18565736      -0.45993416      -0.53387639
Li       1.25894005       1.50213002       5.17861995      -0.26187227      -0.29341457      -0.45305011
64
Lattice="12.20918528 0.0 0.0 0.0 12.20918528 0.0 0.0 0.0 12.20918528" Properties=species:S:1:pos:R:3:forces:R:3 energy=-549.03319258 stress="-0.0037261074731068755 -0.0014302029253527853 0.0008883106278815575 -0.0014302029253527853 -0.005165058672412754 -0.0011400522865500048 0.0008883106278815575 -0.0011400522865500048 -0.004591518497084788" free_energy=-549.03319258 pbc="T T T" config_type=wetmd 
Cl       8.21797001       2.87119003       6.68874001      -0.77255594      -0.37089959       0.25055851
Cl      12.15479995       3.80727998       8.58679998      -0.34960940      -0.28946947      -1.20918259
Cl       1.01576002       6.81244006       5.95125003      -0.44888592      -0.82641180      -0.36541371
Cl       6.67410999       4.75628994       1.25438000      -1.24829722       0.10383633       0.31711438
Cl       4.95214005       8.26533005       2.94468004       0.47584304      -0.18938195      -0.53732176
Cl       8.18270000       0.62109505      10.62110005      -0.25894541      -0.22519128      -0.64097080
Cl       6.02626998       4.06980005       9.59475002      -0.15056190      -0.05087864       0.00965905
Cl       6.53026002       9.72104001      11.77619995      -0.67473407      -0.48575291      -0.01427792
Cl       1.46503997      10.91609997      10.82490004       0.12664254       0.31179257      -0.35529605
Cl      10.09599996       7.36534998       2.92906999      -0.38510441      -0.34030334       0.14096508
Cl       7.25901006       9.68318005       8.18617998      -0.65076849       0.75010458       0.61196165
Cl      11.75289994       2.49162001      12.14929996       0.28469695       0.30000715       0.31478875
Cl       1.28344995       5.28428996      10.78400000       0.87742505      -0.33514654       0.96136018
Cl       3.46901999       3.06248000       0.58435700      -0.19928743       0.83931044      -0.40451209
Cl      10.71680003       3.82055002       4.47349005       0.63381324       0.00994297       0.07783208
Cl       9.65764003       0.98091806       2.35020004       0.10820412       0.23260348       0.39280991
Cl       9.56082998       6.65820997       6.97721998       0.26138285      -0.60376114       0.01970482
Cl       4.75226006       2.12013003       3.72677994       0.39318255      -0.02342888       0.33666801
Cl       1.26534995       9.06880994       1.61896996       1.18775814      -0.18957651      -0.19365534
Cl       1.40616996       0.53562001       3.31739998      -0.32072556       0.15019986      -0.63134827
Cl       7.38358001      11.81620005       5.18597000       0.10398989      -1.04586102       0.05331749
Cl       9.74004995      10.02260004       0.15931473       0.47725647      -0.27445957      -0.31145312
Cl       9.66361996       5.62439000      11.34460000       0.21369308       0.26233636      -0.24196870
Cl       4.87265996       1.49490998       7.41472002       0.29392568      -0.46644989      -0.02290840
Cl      11.14640000       9.83977995       5.56141002       0.57253815       1.29632593      -0.42549062
Cl       1.16256998       5.34006994       2.67006006       0.42759758      -0.27804875      -0.34889595
Cl       4.36677005       7.53201000      10.80109994      -0.15231004      -0.64511033       0.17136158
Cl       3.45616994       9.89609005       6.94425995       0.51366714       0.17101229       0.33499892
Cl       0.74473295       0.38313498       7.69383995       0.41211998      -0.14694778      -0.47294843
Cl       5.51513000       5.41127000       5.64292000      -0.10963783       0.38764068       0.08820920
Cl       0.06301478       8.49899994       8.74282995      -0.26682644      -0.00046725       0.10406733
Cl       4.24431998      11.86480006       0.91303999      -0.13733943      -0.60574816      -0.23325247
K        2.36778005       6.54411000       8.54803997       0.22432392       0.08998035      -0.20375960
K        7.84567997       4.27392005       3.75955000       0.32710517      -0.10555822       0.73973104
K        7.22415002      11.65220005       1.47045999       0.22999285       0.39934853       0.49014930
K       10.36670006       0.58517197       5.51558003       0.02161096       0.33296194      -0.10860450
K        2.61249998       8.70935004       4.47754997      -0.41428920       0.19324332      -0.53745154
K       11.14299998      10.04149999       2.54993999      -0.35679739       0.80657570       0.60910004
K        7.85175001       7.22219997       0.85805898       0.31489907       1.00985979      -0.04200672
K        8.55598998       9.01924004       5.84905000      -0.71061046      -0.05743710      -1.03855811
K       12.02970000       7.39463994      11.64989996      -0.46534358       1.29688537       0.41773771
K        4.21369995      10.32999998       9.82293994       0.41761349       0.11224542       0.34190151
K        8.23692001       3.27001002      11.85379995       0.56196812      -0.88353908      -0.42498704
K        2.22000996       2.09682001      10.01659996      -0.28198101      -0.03571218       0.08099260
K        4.04091996       4.93150005       3.11294997       0.13723740       0.37525178      -0.13037638
K       10.97049995      11.87920006       9.53993994      -0.05266390      -0.14515887       0.63726235
K        2.26084004       2.06370003       5.54629004      -0.02208379       0.04078482       0.48376929
K        6.76757997       6.75928004       8.30578995       0.12611888      -0.01904875       0.29474185
Li      11.41830002       4.28143004      10.71530001      -0.05148505      -0.13792087      -0.26061877
Li       1.23374000       4.45027001       0.65850900       0.17218234      -0.66157463      -0.27564891
Li      11.63399994       2.44500998       2.62213998      -0.23716887      -0.37232895      -0.31533941
Li      11.32610004       4.97346998       6.66560995      -0.19432261      -0.06298915       0.26299880
Li       1.49646006      10.01309996       8.07667006      -0.42546785       0.78823442      -0.01650679
Li      11.35470005       8.01429004       6.50551005       0.39982628      -0.78009609       0.87765606
Li       8.35146000      10.41930004      10.83730005      -0.46098062       0.21567970      -0.64625490
Li       6.17455994       1.26587995       5.30079006      -0.41513873       1.09010612       0.18792381
Li       7.04300002       1.48471995       8.65775000       0.14808067       0.47798903      -0.03662756
Li       5.98877997       3.95062998       7.12836994       0.41389867      -0.86219025       0.50262780
Li       2.07630003      11.09000003       0.76822306      -0.26769138      -0.09308116       0.24178578
Li       4.48819003       9.08877001       0.80281400       0.11594987      -0.10324529       0.04481543
Li       4.92775000       4.96284006      11.97089995      -0.14992494      -0.10309897      -0.54659721
Li       5.54209997      11.12210006       6.83181005       0.28301839      -0.18281984      -0.09614910
Li       3.41421002       1.37216994       2.03952999      -0.25741692      -0.15814482       0.35095865
Li      11.62370003       5.94104999       3.74636995      -0.36860677       0.11298007       0.33885379
64
Lattice="12.49376436 0.0 0.0 0.0 12.49376436 0.0 0.0 0.0 12.49376436" Properties=species:S:1:pos:R:3:forces:R:3 energy=-547.50675725 stress="0.0009651901044641682 -7.433062525936467e-05 -0.0008072498270223168 -7.433062525936467e-05 0.0022042496277573944 0.0010420286617129496 -0.0008072498270223168 0.0010420286617129496 0.0012038460834841811" free_energy=-547.50675725 pbc="T T T" config_type=wetmd 
Cl       8.30026996       2.95273004       6.87525006      -0.47640775       0.03379208       0.30184942
Cl      11.55500002       3.20899002       8.80941997       0.48687057       0.33944663      -0.27104529
Cl      11.13880000       7.01481003       7.56361000       0.05336584       0.16445255      -0.10747444
Cl       7.08366004       3.77690994       1.87064998      -0.12438153      -0.07460397       0.47679066
Cl       6.62806006       9.67265000       3.38835999      -0.05505188      -0.24277641      -0.14821026
Cl       8.22635997      12.32560004       9.45537994       0.30761440      -0.98205183       0.20117312
Cl       6.30509000       3.05088006      10.49460002       0.01212064       0.04470915      -0.26685298
Cl       7.64783996       9.87257997      12.43428954       0.04822375      -0.25616063       0.03018733
Cl       2.69589998      11.70320006      10.45809999       0.27733701       0.53804243      -0.59565340
Cl      10.31289995       5.57922004       4.67482005      -0.04175152       0.03767060      -0.05633526
Cl       4.11114000       9.65592997       7.52635997       0.20257092      -0.22560694       0.33259405
Cl       0.19357901       2.51632997       1.32414999      -0.21104749       0.34995794       0.15642461
Cl       1.35294999       6.72203003      10.21780004      -0.00562871      -0.23584883      -0.18298783
Cl       3.04064004       3.77705999       0.14309296       0.49524094       0.09549726       0.55233233
Cl       1.57772006       5.34213999       6.35039002       0.50849417      -0.20013678       0.84267350
Cl       9.85719002       1.00983999       0.21518897      -0.41912054      -0.47235408       0.03906308
Cl       8.41956005       5.71793006       9.41066001       0.75904147       0.24972677       0.25827739
Cl       3.69181004       2.17913002       3.80976005      -0.12706547      -0.07592959       0.02752647
Cl       3.20527000       8.83174995       0.77621497       0.08410430      -0.12438790      -0.00784314
Cl       1.33927994      11.87689999       1.72216996       0.19371676      -0.32685659      -0.33774747
Cl       3.05269003      10.81599998       4.57029996       0.61327564       0.86078727      -0.41019316
Cl      11.40829999      10.86289995      11.26029998      -0.24810670      -0.30198415       0.33288636
Cl      10.74960000       5.73263996       0.96077298      -0.36058063       0.44607149      -0.04943110
Cl       4.60849003       1.04315998       7.31047996       0.07751391       0.26468496       0.20269896
Cl      11.88339999       9.39052006       4.14090003      -0.85080484       0.12699949      -0.11567666
Cl       1.75580005       6.08840003       2.90246001       0.19554901       0.05896367      -0.05691216
Cl       5.52950997       6.33766999       0.13327598      -0.42350483       0.04211891      -0.08712100
Cl       0.77841199      11.81279998       6.97839995       0.53782076       0.19310884       0.02262452
Cl      11.34169998       0.58910298       3.60251998      -0.58080053      -0.47373192       0.54059282
Cl       5.11271000       5.65080006       7.66194005       0.20124512      -0.12376867      -0.56412476
Cl       8.56725995       9.99955997       6.08868001      -0.08651422      -0.62149839       0.22154212
Cl       4.82512003      11.92370000       0.68333695       0.74939469       0.72117862       0.60163664
K        3.97707004       5.16933998      10.35389999      -0.04714976       0.41793161      -0.59579014
K        9.92062999       3.27707004       2.54322005       0.47558294       0.07637967       0.20578904
K        8.37331000      11.91849997       1.99050004      -0.38927208      -0.07149613       0.84612198
K        6.09134006      12.01750006       5.26060006      -0.21135244      -0.22236432       0.16205677
K        1.71334000       8.46110006       5.18785999       0.49542866      -0.69950480       0.50371753
K       12.37000001       8.46414005       1.25674001       0.17340154      -0.21843168      -0.21289446
K        7.75098998       7.22797002       1.75223996       0.58656472      -0.37796850      -0.23814887
K        5.58063995       7.75805995       5.63600994      -0.02750597       0.61130279       0.20006077
K        1.22408006       9.70347999       9.17006997      -0.41913629      -0.68199467       0.09153715
K        5.68296001      10.62030003      10.28770003      -0.35118655       0.22526801      -0.21320405
K       10.12240003       3.54264999      11.47219997      -0.12466234       0.69252431      -0.20797548
K        1.31017996       1.83238995      11.31039998      -0.14129900      -0.37848384      -0.22413289
K        5.72781999       4.21082000       4.73337994       0.08371358      -0.42795708       0.09325857
K       10.45300003      12.14260000       6.72813998      -0.30515156       0.37441262      -0.04759997
K        1.74641999       2.40114996       6.97784998       0.02937609      -0.16624887      -0.17093936
K        8.97583004       8.50732000       8.84587002       0.09646189       0.35984074       0.23529733
Li       0.28728699       5.42907997       8.36177001      -0.07751100       0.40819424       0.28932648
Li       2.94349003       6.41608998       0.80936405       0.20843351      -0.00639106       0.04470986
Li      11.53200000      12.23129998       1.22648998       0.72271782       0.55361960       0.02537239
Li       9.79819997       4.70625998       7.71888001       0.14240200      -0.00942299      -0.03838302
Li       0.86400502      11.63410004       4.45570003      -0.37273775      -0.08864512      -0.35406166
Li      10.06300005       7.77031996       5.35795997       0.56498108       0.32338034       0.15979277
Li       9.03133996      11.48349996      11.66190004       0.70918467       0.35917990      -0.92952746
Li       3.27932004       0.33160400       2.52390994       0.06082397      -0.62267850      -0.05464367
Li       7.26717995       1.60712001       8.86335005      -0.46705903       0.80248696      -0.28315337
Li       6.88640999       4.57609994       8.59297000      -0.54020920      -0.69179969      -0.15970156
Li       3.05797002      10.96020001      12.43741798      -0.85860569      -0.32198435       0.63582567
Li       5.51034004       9.90909000       1.45040998      -0.43341318      -0.24253365      -0.22034875
Li       5.51736003       3.97767999       0.19339698       0.16554695      -0.06484862       0.07081255
Li       3.26771996      11.75849996       7.43298994      -0.26999403      -0.20716549      -0.15590581
Li       2.14016997       3.01116000       2.35677998      -0.23153103       0.53477408      -0.45375659
Li       0.38383006       5.63979005       4.67268998      -1.03957578      -0.06888748      -0.88677621
64
Lattice="11.61623939 0.0 0.0 0.0 11.61623939 0.0 0.0 0.0 11.61623939" Properties=species:S:1:pos:R:3:forces:R:3 energy=-544.24430402 stress="-0.034427220740780896 0.0009098012360660706 -0.0034083637091604233 0.0009098012360660706 -0.03194867917523416 0.0015108250167770768 -0.0034083637091604233 0.0015108250167770768 -0.03301108524701299" free_energy=-544.24430402 pbc="T T T" config_type=wetmd 
Cl       7.55453997       1.76826996       6.46459996       0.08304183      -0.81700764      -0.75638871
Cl      10.05479994       6.24138997       6.35575998      -0.09919848      -0.31260305      -0.13042709
Cl       2.03882995       5.99167997       7.28423996      -0.07433764       0.24718319      -0.34588098
Cl       9.44840994       5.35633998       2.28237997       0.49002414      -0.42611172       2.15137751
Cl       7.29091999       8.39868001       7.04497005       0.07245837       0.22248535       0.32143429
Cl       8.27392996       7.96482996       0.10826056       0.14261051      -0.89317325       0.40526844
Cl       7.00917995       4.99848001       8.36430001      -0.03858699      -0.05055125       0.19482124
Cl       5.13671000      10.58449999       0.21691201      -0.12908228      -0.25982720       0.26449764
Cl       3.22691998      10.47610003       8.80061002       0.11642083      -0.02986161      -0.10664380
Cl      10.98060005       3.20723998       6.41404005      -0.31026458      -0.16469686      -0.81808283
Cl       4.31120997       7.54840997       5.10581998       0.03441224       0.97971312       0.66415872
Cl       8.08553001       2.09228997       2.59841998      -0.34649478      -0.27000806       0.96858827
Cl       6.91433998       1.75721002      10.15249995      -0.30124169      -0.18157195       0.94578544
Cl      10.86370002      11.38919999       7.70844004       0.80605281       0.65742096      -1.17432798
Cl       2.87592996       4.22226001       4.07466000       0.09252669       0.22894194       0.20451203
Cl       8.89144994       4.09456002      11.01989999       0.55298624      -0.56478278      -0.08339266
Cl       0.14906063       8.34876003       9.69000995      -0.57088797      -0.13521563      -0.01381811
Cl       0.45826064       2.71369001       1.89251005      -1.01260303       0.35658356      -0.07731343
Cl       4.40825005       1.88804001       2.29068001       0.18645983       0.30035709      -1.03354135
Cl       1.83014003       7.35771000       1.99477002      -1.46117534       0.16778318       0.32899795
Cl       6.18638000       4.90055999       4.54638004       0.87308214      -0.72734699      -0.05018574
Cl      11.15290001      11.60999996      11.53200005      -0.09981147      -0.06737970       0.16961455
Cl       3.77864001       7.20226996      10.41200000      -0.78623016      -0.45979001      -0.53050714
Cl       5.87638996      10.94329996       4.60349000      -1.10809881      -0.15901198      -0.13775655
Cl       8.60182004      10.43449996       2.90623998       0.56094057       0.61024900       0.27331337
Cl       1.57529995       2.59678000       9.30537001      -0.65015097       0.04794732       0.48826080
Cl       5.07527996       6.43716996       1.89462003       0.21638334       0.03376722      -1.13262479
Cl       2.07536000       0.59211399       5.34408996      -0.22875106       0.05968725       0.99220142
Cl      10.77459998       8.50915997       4.24496000      -0.55978175       0.12573603       0.02082948
Cl       4.69806001       2.26598005       7.82016004      -2.04677695      -1.23905169      -0.07607268
Cl       8.40446002      10.51270002       9.92395996      -0.16672679      -0.44646559      -0.91841830
Cl       2.29280996      10.75050000       2.41880004      -1.16745539      -0.01134461       0.06830471
K        6.12769998       8.55564003      10.10769995       0.08591608      -0.09049735      -0.79807205
K        6.50415001       8.67282001       2.56454005      -0.05417234       0.05377160      -0.08778313
K        8.57157995       3.83099997       4.90527002       0.97622333       0.54911264       0.18570629
K        6.12985003      11.31499998       8.23055005       0.09599079      -0.19127605      -0.54703907
K        1.82713003       8.81310004       4.49716005       0.71126455       0.55533458       0.50218086
K       10.66850004       8.92904997       1.28941001       0.28331817      -0.05154619       0.23319611
K        1.95103000       9.67582001      11.41860000       0.62632218       0.08714406      -0.07278069
K        4.53172998       4.78733000       6.81611004      -0.08530679       1.02869835       0.04907200
K        0.45446062       5.71897005       4.13466996      -0.39146512       0.00083836      -0.37703708
K        3.99269001       1.42120995      10.64609998      -0.55176680      -0.14982739      -0.06365382
K        9.18197999       2.48224004       8.65465999       0.60974160      -0.20331373      -0.22529811
K        6.30946997       4.02975999       1.40551002       0.20689299      -0.11535532      -0.20498689
K        4.82729997       2.06825005       5.10886994      -0.23645841      -0.06865253      -0.43809952
K        7.71458004       0.24576059       0.54943500       0.37203823      -0.69559191       0.74408171
K       11.16180002       0.59734397       3.74828004       0.00350988      -0.44121881       0.17477427
K        9.22205997       6.91332995       8.90483998      -0.27675835       0.22363572       0.59612604
Li       1.91210003       7.13334001       9.07892002       0.24266306       0.30852634       0.34355954
Li       3.28563995       6.70396001       0.80205800       0.51520720      -0.39215099      -0.57816333
Li       0.88653896       2.05060998       7.17237000       0.88285846      -0.84669228       0.27866909
Li       7.51749997       0.60106058       4.19422003       0.73489073      -0.15939945       0.27545225
Li       2.49741004       3.10332006       2.19086004       0.66368495      -0.00117071       0.50317636
Li       1.60380004      11.08160000       7.39720998      -0.14067645       0.06064862      -0.07910856
Li      10.51640002      10.56190002       9.56728995       0.22883328      -0.51376870       0.61109551
Li      11.52848323       2.11063004      11.49220002       0.60139061       0.22170611      -0.90145171
Li       5.99822003       3.08150999       9.00824995       1.00188024       2.09824682      -0.11359643
Li       9.03922001       5.90959998       0.44441397      -0.30044629       0.99690408      -1.02378366
Li       9.40507997       3.13285005       1.45928996       1.11893107       1.19656986      -0.46845877
Li       4.20689997      11.33230005       2.04572000       0.67784357       0.12617150       0.33435388
Li       4.62339001       5.93770001       3.85450996      -1.34540517      -0.35849607      -0.22685835
Li       5.88087999       9.04515997       5.57697001      -0.45987853      -0.34403097       0.23540071
Li       9.03342002       8.05822999       5.71315996       0.36794359       0.35271458      -0.38222725
Li       0.17576056       5.09933998       6.98310998      -0.23475370      -0.05908839       0.44497006
64
Lattice="12.45981227 0.0 0.0 0.0 12.45981227 0.0 0.0 0.0 12.45981227" Properties=species:S:1:pos:R:3:forces:R:3 energy=-546.16169351 stress="-0.001994139565215156 -0.0009641055299063817 0.0013308788883308615 -0.0009641055299063817 0.0006530455858715275 -0.0020918559267994533 0.0013308788883308615 -0.0020918559267994533 -0.006316835259365183" free_energy=-546.16169351 pbc="T T T" config_type=wetmd 
Cl       8.52889999      11.33610005       2.18714997      -0.03082563      -0.21094345      -0.15831369
Cl       9.02969996       5.50398003       4.99481005       0.02504690       0.62291137       0.19515072
Cl       2.17086001       9.96585002       6.55765003      -0.45210277      -0.81901897       0.30934301
Cl       0.13013800       7.37376001       8.61504003      -0.19020626      -0.25883639      -0.65440636
Cl       4.74771004       0.57662504       8.26179002       0.13966398      -0.01086456       0.08438800
Cl       6.20804004      11.60039996      11.42900004       0.87115321       0.31966023       1.18622758
Cl       4.14464005       6.51110005       8.99450000      -0.21342797       0.50406305      -0.29489858
Cl       3.53314997      10.48549994       1.43680998       0.20026450      -0.31183260      -0.20742583
Cl       1.89298003      11.46749999       9.94204006       0.16208050       0.03927034      -0.45576218
Cl      12.10310006       2.99649003       7.41479005      -0.55899201       0.45936816       0.45334406
Cl       6.17042000       7.40239004       3.49423000      -0.07968092       0.05534232      -0.27706617
Cl       3.67231997       2.25496997       1.91229997      -0.29418549      -0.08247279      -0.29406950
Cl       2.41102999       3.34878998       9.90916996       0.22472433      -0.05249541       0.01333294
Cl       8.11335005       8.67698996       9.15746998      -0.22308483      -0.19526884       0.66413448
Cl       6.78914998       2.19822001       3.45290006       0.62544760       0.24586058      -0.06989425
Cl       5.96156003       2.79675999      11.87349998       0.88236156       0.00789375      -0.90927005
Cl      12.45184248       4.05393997       0.11038771       0.77971014      -0.18275402      -0.29755572
Cl      11.51149995       0.55531701       4.18341000      -0.03131723       0.30858924      -0.11507679
Cl       0.40252894       5.01389998       3.98781002      -0.39444108      -0.30886121       1.10983775
Cl       3.16663998       5.96310006       2.04948001       0.03613831       0.39394537      -0.44755745
Cl       9.29226995       6.28474999       0.95981198      -1.15175448       0.71909322       0.25957212
Cl      12.43479994       8.54754996      12.03890000       0.31791782       0.20658633       0.43710872
Cl       8.83113005       4.18464004       9.42433000      -0.05038652       0.02719329      -0.14722106
Cl       5.77279001      10.27489996       5.91688998      -0.35204504      -0.37063159       0.52328698
Cl       0.68171495       9.51128006       3.56370006      -0.23389179      -0.15938067      -0.50022399
Cl       0.08164292       0.47155206       0.30104701      -0.03685053      -0.57511968      -0.06865059
Cl       5.30388005       7.93691998      11.93340003      -0.09586949       0.34913596       0.31831788
Cl       5.86708002       4.21434996       6.43763002       0.47018474       0.05120192       1.01034055
Cl       9.46560998       9.99186997       6.25583999       0.38529184      -0.14690106      -0.48932467
Cl       9.12187005       1.32065002       7.27647006      -0.48891229       0.32227147      -0.40058947
Cl      10.03770002      11.61589996      10.09759995       0.79813381      -0.36420814      -0.19103297
Cl       2.81980005       1.73356994       5.54099003      -0.73608660       0.01446446       0.50396620
K        4.67215997      10.09730004       9.85665995      -0.42168129      -0.67112384      -0.50963569
K        9.08164006       9.44836000      11.95300006       0.22250214       0.07361109       0.07953547
K        9.60178003       2.89283000       4.27921001       0.37769973      -0.65853566      -0.10630321
K        6.67718000       0.44399096       5.70035003      -0.03202332       0.02544398       0.23099940
K       11.64990005       7.62489002       5.58745006      -0.00367162       0.11051882      -0.17229556
K        3.80097999       9.24385000       4.08773995      -0.25483091      -0.19918153       0.24009707
K        1.69125006       6.24506998      10.71970006      -0.45187738      -0.10211530       0.41656496
K        4.34404004       3.73182006       4.26201996      -0.36493023       0.56095729      -0.67327116
K        4.39497998       5.05098997      11.76959997      -0.68840001      -0.19140922      -0.04107790
K        3.47879005       0.82773598      11.76610001      -0.07273695       0.00506321      -0.15911762
K       12.22469997       1.84001000      10.16710003       0.11840882      -0.17683718       0.21310246
K        7.20452997       6.35156997      10.74119996       0.56934821      -0.48508583      -0.47209126
K        1.59011003      12.34143421       2.75673994       0.24556887       0.36316825       0.19986792
K        8.09901005       1.13287005      10.07429997      -0.80358140       0.49305180       0.24151008
K       11.74929995      11.91639999       6.85293002       0.22430884      -0.07246757       0.27641193
K        7.37759003       7.51026996       6.67132003      -0.37716237       0.01468745      -0.61131142
Li       0.33571295      10.69800005      11.22260001      -0.40777233       0.16183919       0.41226704
Li       1.02025005       4.37622996       2.09405000       0.71941264      -0.07359497      -0.59131005
Li       3.41323998       2.61914001       7.93899005       0.21049295      -0.35181330      -0.13628521
Li      10.54520001      11.38270000       2.98316999       0.42178272      -0.03430337       0.19166272
Li       0.73684402       3.02436998       5.61487996       0.59897641       0.00565196      -0.87959888
Li       2.29221995       7.64259006       7.92136004       0.09629413       0.29411991      -0.11796128
Li       9.00492998      10.53380003       8.31644000       0.03237647       0.03972549       0.20565536
Li       1.67061998       8.86603996       1.46708994      -0.38943552       0.15703916      -0.03977718
Li       7.74504996       3.33146000       7.17568999       0.20472781       0.01946993       0.36069199
Li      10.58939995       4.80326000       0.42018773      -0.17695261      -0.18472087      -0.15315473
Li       6.02125997       2.46361999       1.46633002      -0.59371589      -0.34542298       0.45006067
Li       6.59056001      10.99779995       1.31492000      -0.75871627       0.18340089      -0.54781381
Li       5.00785996       7.37658004       1.51701005      -0.37026426      -0.04632352       0.65904291
Li       3.77397995      11.19260002       7.18032006       0.59673899       0.72200380      -0.21075454
Li       7.84156005       6.15391997       2.83685006       0.60828059      -0.07674335       0.38134330
Li      10.53140002       4.74525995       8.15498002       0.61677475      -0.15733538      -0.22706546
64
Lattice="12.06214131 0.0 0.0 0.0 12.06214131 0.0 0.0 0.0 12.06214131" Properties=species:S:1:pos:R:3:forces:R:3 energy=-548.16294293 stress="-0.012876286485630387 0.0022543554581370157 0.001559447939486498 0.0022543554581370157 -0.007972899394588395 -0.0006937865373700003 0.001559447939486498 -0.0006937865373700003 -0.008603067390358965" free_energy=-548.16294293 pbc="T T T" config_type=wetmd 
Cl       6.10293002       9.77188999       3.62161004       0.46959843      -0.06390393      -0.06738076
Cl       9.07062002       2.03854000       5.89066998      -0.34469688       0.27840561       0.33936901
Cl       1.61369003       8.88195003       5.48642999      -0.16891958       0.53013778      -0.17009577
Cl       4.59484994       8.56335004      11.03939995       0.00334116      -0.28803064      -0.70864816
Cl       8.14255006      11.91679999       8.82459998      -0.10828958      -0.18646326       0.22345007
Cl       5.70347001       0.22275868       0.03275873      -0.42917606      -0.57418824      -0.60679807
Cl       1.04286994       7.53640997      11.37880002       2.38187405      -0.46270691       1.16244875
Cl       4.83457005       2.80206003       2.04737998      -0.38988448       0.97473889       0.79177274
Cl       3.13207998      10.03419995       1.91056997       0.64098912      -0.06984287      -0.53513795
Cl      11.49389998       4.94205000       4.97117006       0.14524507       0.17381573      -0.07388670
Cl       7.23102996       5.32874005       5.65018997      -0.63373050      -0.04257706      -0.28799025
Cl       2.95197001       2.66968997      10.52199994      -0.15718864      -0.36372101      -0.37677919
Cl       2.19240998      11.40429999       8.90397997      -0.15807211       1.27558956      -0.01779086
Cl       6.97974999       7.89336998       8.30654006       1.38328918       0.15214875       0.01979786
Cl       6.09245996       3.77159999      10.01149997       0.86663965       0.07668489       0.15613081
Cl       5.12037006       1.88432998       6.77863996      -0.10001302      -0.19177434       0.07009297
Cl       0.92204299       3.02914999       1.87908995      -0.33203085       0.43673403      -0.19522814
Cl      10.13619995      10.07310000       6.70246005      -0.18586642      -0.24635061       0.29067108
Cl       2.95652999       4.36176004       5.38888997       0.09778565       0.32177785       0.15178371
Cl       3.35373003       6.45335995       2.46985998       0.07649575      -0.42317684       0.09239018
Cl      10.23019998       5.26842006       0.46885399       0.33099259      -0.15555375      -0.24221401
Cl       9.58000002       9.30755002      11.25779997      -0.13819902       0.44691514       0.28854161
Cl      10.85820005       6.51552002       9.02557998      -0.10591264       0.25188856       0.12965431
Cl       4.55973995       9.40443001       7.25317002      -0.32578717       0.95019265       0.00279075
Cl      11.98490006      10.44790004       2.57770999      -0.76796012       0.19218619      -0.20743932
Cl       8.49018001       2.34001006       1.04175998       0.14238509      -0.37511747       0.01992919
Cl       6.57240002       6.91715001       1.54555003       0.19788711      -0.28365442       0.06650459
Cl       3.25723000       6.03593001       9.15823000      -0.11586593       0.35380759      -0.40054351
Cl       9.86166996       7.61606003       3.58787006      -0.04607876       0.51919461      -0.19846248
Cl      11.85489997       3.10717998       8.73499998      -0.49175489       0.20997507      -0.26428370
Cl      11.49139999       0.89000896      11.33590005       0.10020275      -0.02471809       0.39887502
Cl       0.44283498       1.73238005       5.21832997       0.73866647      -1.15309016      -0.17590300
K        6.62272001       9.63355002       0.57763906       0.56447815       0.71165088       0.22665945
K        8.63020000       4.67257995       2.89786998      -0.01141332       0.09536960       0.43719002
K        4.14899002       4.98964998      11.82299995       0.32476771       0.47855053       1.05359066
K        6.79397998      11.36959998       5.97036998       0.56078343       0.35165524       0.08277437
K        2.09639003      10.09589998      11.20620006      -0.02300432      -0.02959200       0.94426917
K        4.80370001       7.61829997       5.10586003      -0.06471784      -0.63706707      -0.40372302
K        1.17286002       6.30776001       7.06523004      -0.19938953      -0.05929621       0.00992198
K        0.55740795       7.17915998       2.36764997      -0.53078437       0.01863269       0.09042869
K        2.18462001       2.31439996       7.53861999       0.69336924      -0.27612888      -0.33240405
K        5.13409002      12.01649998       9.04296997       0.25382931       0.14423506       0.50405145
K        0.87951803       4.65216996      11.10530001      -0.70214005      -0.04037908      -0.11656604
K        7.81163004       6.54951005      10.68789998       0.40692895      -0.49692812       0.37231134
K        2.79184002       1.14756004       0.84534695       0.09920162      -0.62700710       0.17885121
K        9.03668005       2.43069999      10.12180005      -0.13302903       0.19268755      -0.24567694
K       11.54109999       0.10677202       8.43141000      -0.90203260       0.03390179      -0.45226146
K        9.60670995       6.84869000       6.33642002      -0.22255832       0.11042828       0.54922159
Li      10.65270000      11.39840003       0.57759395      -0.08221247      -0.48701459       0.34417152
Li       4.06307006       8.07527998       1.07008997       0.04667347      -0.03003169       0.48798925
Li       2.57690002      10.32910001       7.24726006      -0.01524828      -1.04278566      -1.37401245
Li      10.76410003       2.67565000       0.94344895       0.21382045       0.29611822       0.07200170
Li       1.19897998       3.59391006       4.06998999      -0.32904435      -0.05858918       0.20672333
Li       4.18963003       4.51011002       3.55836003       0.18571084      -0.17505311      -0.35042679
Li       8.47994998       9.69662995       9.23704005       0.03507581       0.00614392      -0.53364707
Li       1.91753995      10.74769998       3.45215999      -0.36578376      -0.07554678       0.71732792
Li       6.96821002       3.16619003       6.49008000       0.50870412      -0.02877207      -0.24511584
Li      11.32519996       7.96392000      10.85850003      -2.51331162      -0.20454822      -1.04347192
Li       4.04949002       4.06754005       9.24453004       0.62708110      -0.53366920      -0.60361932
Li       6.24592996       2.17719998       0.60260504       0.70152462       0.22312267      -0.30482523
Li       7.76071996       8.24788005       3.23254000      -0.15229410      -0.19337443      -0.09879089
Li       4.87966002       7.68559996       8.61410994      -0.47235844      -0.08941688       0.70172196
Li      11.35370003       9.62285006       4.98524995       0.13170735      -0.09437564      -0.65397342
Li      11.41020006       3.10350006       6.39882001      -1.21029923       0.27775621       0.10368804
64
Lattice="11.72278051 0.0 0.0 0.0 11.72278051 0.0 0.0 0.0 11.72278051" Properties=species:S:1:pos:R:3:forces:R:3 energy=-547.1146951 stress="-0.016837748516471178 -0.0012847739339575314 -0.0009352613067414447 -0.0012847739339575314 -0.021726537660135607 0.0019016951317630912 -0.0009352613067414447 0.0019016951317630912 -0.01697305589593584" free_energy=-547.1146951 pbc="T T T" config_type=wetmd 
Cl       6.21719997      10.17769999       2.39159997       0.18387493      -0.27732482      -0.19112837
Cl       6.46936003      10.91980006       6.04774003       0.47315355      -0.26597093      -0.27386130
Cl       1.48151000       7.41416995       1.64243001       0.03022616       1.11646737      -0.31834550
Cl       5.48363995      10.88199995      10.64520002       0.07166673       0.42307711       0.63186839
Cl       8.38482004       0.94466198       9.25310002      -0.18070640      -0.91914807       0.31105653
Cl       5.22665995       2.14550001       2.42692997       0.73075926      -1.60998037       0.35347530
Cl      11.38830004       7.01260997      10.00660003      -1.37144513       0.00745301       0.63630065
Cl       5.71553003       2.52895005       6.48884997      -0.35855720      -0.80744419       0.95323952
Cl       2.58889999      11.14919998       2.72449001       0.70045560      -1.29766929      -0.12102431
Cl       1.76910005       5.45800996       4.74223996       0.27740015      -0.22295553       0.62585903
Cl       5.45261995       5.83892003       2.78140997       0.06975384       0.03257367      -0.14092146
Cl       4.59222002       4.57096006      11.28219997       0.06226408      -0.03579527      -0.37762060
Cl       6.64966003       8.82411003       8.57964996       0.81605286       0.19324496      -0.60447961
Cl       9.18579004       9.61298997      11.27310004       0.06376353      -0.22752565       0.28727491
Cl       6.61782002       7.43869002      11.56150002      -0.51199372      -1.13980515       0.03948581
Cl       6.82595001       5.69712995       7.81173000      -1.24899049       0.62515524       0.57825106
Cl       2.52773006       0.51677205      11.24209997       0.44392223       0.29480824      -0.21142681
Cl       9.73611996       3.90612999       6.63970997      -0.06024821       0.26465360      -0.49938149
Cl       2.21230004       3.54795005       1.80441000      -0.07852022      -0.09597476      -0.36567808
Cl       3.44746003       7.80975998       9.17639998      -0.48226210      -0.26573302       0.36174575
Cl      10.54050000       3.54810995       2.60492996       0.16129843      -0.53172581       0.92108866
Cl      10.45480002       0.60966102       5.51756005      -0.53578467      -0.23955257      -0.54438541
Cl      10.35230002       9.63883999       7.55319005      -0.81148979       0.01449648       0.54123807
Cl       8.04913998       7.40043003       4.93835001      -0.30868982       0.04382351       0.29839376
Cl      10.94040003       2.27513004      10.92270004       1.57576052       1.26556158      -0.25933776
Cl       9.93252999      11.54882148       1.63479004       0.26223736       0.75948706       0.47150869
Cl       9.21439996       6.46420998       1.87033001      -0.18784104       0.55936374      -0.49812526
Cl       1.84866994       3.68773002       9.15142999       0.54022015      -0.14272479      -0.25301328
Cl       0.27325204       8.53223002       4.65732999      -0.04118694       0.81753575       0.42262316
Cl       7.94236995       3.66473004      11.69185828      -0.44157602      -0.68458915       1.00807027
Cl       1.91517996      11.60219999       6.91263998       0.09806171      -0.15864619      -0.23829519
Cl       4.37656998       8.03495999       5.37726005      -0.94945161       0.25767732      -0.39070006
K        4.14610000      10.33480002       8.03433001       0.47888247       0.07444710       0.07254574
K        4.26064000       0.60076202       4.91558999      -0.30205520      -0.04633249      -0.44311914
K        9.45935003       6.70095001       7.37287001       0.18495027       0.49310853       0.58328741
K        8.99589002       9.85440000       3.80194003       0.36356901       0.36759481       0.34184269
K        0.64585897      10.30460002       0.26611954      -0.56307210      -0.18973263       0.06083598
K        3.93006006       9.03010999       0.77435905      -0.03367011      -0.54228360      -0.11926249
K        0.91239503       8.04545000       7.86419999       0.59420056       0.16409735      -1.00691923
K        8.18407001       3.70950004       9.05947005       0.61023967      -0.15516152      -0.64225868
K        3.85234998       5.64053999       6.93476004      -0.32714703      -0.47589326       0.15585678
K        4.80916004       2.22231997       9.38498998      -0.29750648      -0.13364315       0.30012890
K        1.94559002       5.85971003      10.89619999       0.63713960      -0.38113979       0.51161617
K       10.66399996       5.97343999       4.29278996      -0.05716812      -0.45760046       0.12477092
K        0.55247296       1.18261004       3.09091002      -0.66356586       0.68042015       0.10656201
K        8.10151995       1.65276001       3.15720000       0.18894994       0.09078740       0.09526170
K        0.52321946       2.41031996       6.95622996      -0.21735108       0.29607349       0.10422125
K        6.64078002       4.65880999       5.28997997       0.76795569       0.63432658      -1.34760234
Li       1.43367003       2.53679001      11.56120003       0.04383753      -0.05986883      -0.41831666
Li       7.06795005       7.50432001       2.94679004      -0.28853871      -0.22053502      -0.60966601
Li       5.49707003       7.13911003       9.46426997       0.84230279      -0.30029196       0.29005654
Li       9.78762001       4.30652004       0.83035702       0.25799016       0.34536190      -0.40153832
Li       2.44234003       8.49516998       3.87119001      -0.10163254      -0.03349680       0.13555081
Li       4.60340004       3.96251997       1.82444998      -0.97123701       0.94168208      -0.47168730
Li       7.84130997       0.50826295       7.23011995       0.10323187       0.05438037      -0.69548751
Li       4.68180997       0.04906324       0.94348103      -0.13825878       0.69983677       0.28170807
Li       9.41354995       1.11637000      11.40189999      -1.22350464      -1.00185068       0.42502575
Li       0.07361953      10.53369996       6.13930995      -0.19387130       0.22608468      -0.43533575
Li       8.65349000      10.07710001       9.32844995      -0.31045599       0.21260971      -1.24557584
Li       1.71707001       5.55050997       2.55189000       0.14761722      -0.79031571       0.48380640
Li       6.49963001       5.19203004       0.46871944      -0.03816178       0.73850920       0.33025610
Li      10.04140004       7.71520005       0.14201949       0.01429145      -0.57742822      -0.15121653
Li       6.25264005       8.42147003       6.26499000       0.95130661       0.40648125       0.37486547
Li       6.86266002       9.46172003       0.14834897       0.54860417       1.18695963       0.05603203
64
Lattice="12.15646469 0.0 0.0 0.0 12.15646469 0.0 0.0 0.0 12.15646469" Properties=species:S:1:pos:R:3:forces:R:3 energy=-548.2411019 stress="-0.0060400418557898855 -0.0029731255706511935 -0.0005201061351050768 -0.0029731255706511935 -0.007019093384588727 -0.0007777247425928736 -0.0005201061351050768 -0.0007777247425928736 -0.010316536956922246" free_energy=-548.2411019 pbc="T T T" config_type=wetmd 
Cl       4.83670999       8.83251003      11.35539998       0.20702617       0.51163365      -0.16224377
Cl       9.72676996      10.11580005       6.09358997      -0.16702764       0.38066175       0.01426889
Cl       9.14645000       8.40617005       1.31396005       0.02497855      -0.02759580       0.32168649
Cl       5.19064996      11.95419996       0.45020105       0.10148908       0.58559751       0.25265283
Cl       9.11284005       1.26666995       1.07802994       0.49084176      -0.13495293       0.10516518
Cl       2.62327998       5.57735998      11.11640000       0.94752533      -0.29360761       0.50345347
Cl      11.77520003      10.14150003       0.44778800      -0.16252537       0.71572262       0.11069377
Cl       4.78554999      12.14570002       5.40500004      -0.33463722       0.12796948      -0.36423689
Cl       1.46753997       0.83024897       3.61170000      -0.47713610      -0.96894136      -0.67897933
Cl       2.24763003       4.94118994       3.64406003       0.15758778       0.30825089       0.08541515
Cl       5.54625998       2.86904006       3.23770005       0.25705408      -1.04594860       0.36717737
Cl       5.82778997       3.23492995      11.96179994       0.09737787      -0.35635790      -0.36933400
Cl       5.47610004      10.13649996       7.96354004       0.72585793       1.39211734       0.52005192
Cl       7.53245004      11.11349995       3.71489003      -0.12399439       0.45447255       0.17763623
Cl       8.57784000      10.59360005      10.74920000       0.06967153       0.39822479      -0.11997599
Cl       7.84343004       3.34494997       8.23242998       0.00874640      -0.18597461      -0.68257119
Cl       1.69728001       1.95645000      11.36540001      -0.03618365      -0.10152875       0.01404537
Cl      10.52290000       6.06385003       6.11805996      -0.58897687       0.19286886      -0.09774045
Cl       1.23355002       7.39578001       1.41399001       0.01206102      -0.22589987       0.32341964
Cl       3.53573000       7.53795996       8.25835996       0.07809417      -0.51721827      -0.39379929
Cl       8.19319000       4.86081006       1.67599003       0.09432530       0.18500399       0.30853244
Cl       0.59680899       0.77569100       7.86699996      -0.54111142      -0.09160761       0.06499499
Cl       0.00403534       9.37117003       8.82909005      -0.48969355      -0.38787122       0.60684454
Cl       5.06204003       6.66920003       2.06878996       1.05799057      -0.58306300      -0.14236003
Cl       2.11698001       4.16895004       7.39869003      -0.28268547      -0.16619780       0.19555868
Cl       9.38406002       2.35636000       4.89542000      -0.33760686      -0.08743722      -0.99584659
Cl      10.66750005       6.27019994      10.85819997       0.00273804      -0.04787035       0.39936865
Cl       4.32945998       1.60724996       9.27767004       0.20131204      -0.12587283      -0.05306553
Cl       1.21173002       9.78080995       5.61324003      -1.14081296      -0.30055897      -1.57584772
Cl       7.30992997       6.66583999       9.99700003      -0.19723677       0.09040654       0.27249573
Cl       4.00900998       9.53934001       3.31694998       0.50207291      -0.18087750       0.64038032
Cl       6.76535998       7.85326000       6.21917999      -0.25099987      -0.74278554      -0.28760328
K        2.50132998      10.25570005       7.76582000       1.26412792       0.74376338       1.70378487
K        5.04859997       4.79238995       9.13774001      -0.40576345      -0.26444500       0.04438605
K        9.16504003       8.05997995       8.04757999       0.34074657      -0.09657834       0.60153497
K        8.77687001       7.81525998       4.29073994       0.51365438       0.14103592      -0.35697715
K       10.49759996      11.54039998       3.65649998       0.67143350       0.30968276      -0.03109834
K        2.62117996       9.93208001       0.98903003      -0.58618120       0.52731694      -0.74282782
K        1.07432003       6.74369995       5.71621003       0.61260704       0.14215670      -0.05880813
K        8.80591995       4.02242999      10.77159999      -0.22359577      -0.09515291       0.30280440
K        3.01156999       2.52713998       4.99539999       0.41973230       0.27318576       0.80169348
K       11.49290005       0.50046402      10.91779996      -0.11881020      -0.52529343      -0.39050544
K        1.00812006       6.48869999       9.08159003      -0.44558597       0.13424987      -0.03066145
K        7.14941005       4.45061994       4.99107995       0.05690353       0.69395887       0.88255068
K        1.24080999       4.07257006       1.07667996      -0.20198500       0.31424464       0.13991645
K        6.54875998       9.71284996       1.59631996      -0.40247071      -1.10293493      -0.47285650
K       10.78010003       3.39640999       7.04150003       0.67051705      -0.17039847       0.55064190
K        7.57237005       0.75840001       6.53797999      -0.39204329      -0.53204057       0.31306902
Li       3.90350998       1.57679996      11.67089999       0.35082005       0.22827666      -0.66634072
Li       5.61129998       4.32288005       1.69701001       0.09385573       0.87352035      -0.35867130
Li       5.72457003       8.07304997       8.31867997      -0.13824603      -0.68770919       0.18727060
Li       8.47786000       3.01811004       2.88881996       0.26642775      -0.71350125      -0.37723369
Li       2.77575998      10.96449999       4.56840004      -0.15340986       0.64852108      -0.21799256
Li       3.05267999       6.89881997       2.72440001      -0.72476637       0.03648961       0.40973749
Li       5.71311998       9.89818000       5.50722995      -0.04187664       0.12011323       0.07341972
Li       5.44689000       0.29913534       2.77415995      -0.07730834       0.02958391       0.82958359
Li       7.06831999       1.25364004       0.36161203      -0.74328544       0.19836305      -0.42974707
Li      11.50799996      10.72180006       7.27167005       0.49098743       0.23993065      -0.29292381
Li       2.18972004       2.15108995       8.86925003       0.03986870       0.20538318      -0.00974599
Li      11.33699996       7.70788995       0.43965897       0.09748588       0.38111658      -0.16522767
Li       4.19630998       6.97680004       0.05023525      -0.49181873      -0.60536532      -0.49848528
Li       9.60326004      10.88080005       0.53919294       0.10509078      -0.44322556       0.00206560
Li       8.41792000       6.60420999       0.15613532       0.01380988       0.28182762      -0.54107542
Li       6.45460999      10.24579995      10.47209995      -0.76704386      -0.05683801      -0.56151809
64
Lattice="12.16795474 0.0 0.0 0.0 12.16795474 0.0 0.0 0.0 12.16795474" Properties=species:S:1:pos:R:3:forces:R:3 energy=-548.9245253 stress="-0.005085048298814872 0.0005377183381753664 0.0021563120352330136 0.0005377183381753664 -0.005155923674554221 0.0015567118116819297 0.0021563120352330136 0.0015567118116819297 -0.004848078775560673" free_energy=-548.9245253 pbc="T T T" config_type=wetmd 
Cl       7.02985005       7.65724001       2.28391999      -0.51479719       1.52807690      -0.01747050
Cl       5.84521995      10.26999996       6.10498997       0.03888062       0.06593575      -0.17456701
Cl       8.48349001       0.39704523       5.51080002      -0.24450480      -0.02323989       0.97564745
Cl       0.68090402      12.03510002       1.55417003       0.15488307      -0.15239621       0.01207144
Cl       8.84082001       0.92260597       0.42811099       0.08310003      -0.05002692      -0.94296061
Cl       3.31689004       5.31630999      10.14340006      -0.10881466       0.92397518      -0.80292214
Cl       9.88092997       9.93297000       2.30290006       0.05724984       0.01419150       0.63077744
Cl       4.95628004       1.57656004       4.38978996      -0.36971969      -1.23151816      -0.20583133
Cl       0.45500996      11.60500006       6.44800997       0.07372205       0.10850598      -0.49236179
Cl       3.54952004       2.84459002       1.11114003      -0.03523510       0.18210715       0.39510789
Cl       7.24620005       3.05813994       2.08426004      -0.10494301       0.76760656       0.09342365
Cl       5.76153995       1.91894998      10.91479996       0.35631899       0.09306110      -0.54505668
Cl       8.67541005       6.29767002       9.71569000       0.38244596       0.39907681      -0.07471075
Cl       5.94626995      11.29959997       2.12507002       0.21020467       0.05809763      -0.54908689
Cl       7.59028998       9.78806998      11.34099997       0.11147201      -0.02124787       0.09388238
Cl       7.21580000       3.91446000       7.56652000      -0.21946204      -0.27798570      -0.01997442
Cl       0.04724525       4.84518004      10.44089998      -1.02639551       0.03237017       0.41586118
Cl       9.89796000       9.77483003       7.54525005      -0.09261896      -0.20087750       0.14674602
Cl      11.64369999       7.38507000       5.13495003      -0.62777736      -0.50199553      -0.52342758
Cl       5.47703005       6.86726001       7.39000995      -0.38180712       0.18603425      -0.12182053
Cl       9.82412996       6.17922994       1.32952999      -0.09542928      -0.20966686      -0.23466741
Cl      10.77800002       1.05325999       9.39425997       0.28035873      -0.25451925      -0.40952220
Cl       4.22317999      10.08809999       9.30717002      -0.22218694      -0.11848277       0.19534761
Cl       4.56734001       5.01567998       4.45043005      -0.09549383      -0.18407791      -0.67429901
Cl       1.38189004       3.15015000       6.77523000       0.00793980      -0.08752644       0.14274800
Cl      11.19750000       3.32110003       3.48923001       0.90237342       0.27377947      -0.42536920
Cl      11.97550004       8.53804005      11.23219996       0.34599279      -0.00175345      -0.26880470
Cl       2.42203005       1.78899002       9.72847000      -0.09709679      -0.30351820      -0.08625458
Cl       1.64709998       7.97001997       7.73695995       0.25352481      -0.20213237      -0.33021030
Cl       6.14145003       6.00978996      11.59890002      -0.27074818      -0.13976379       0.66524629
Cl       2.78750005       8.40007004       4.31434998       0.65105267      -0.20990890      -0.16770232
Cl       8.46191002       5.86855006       4.52269006      -0.40012740      -0.19219966       0.55408186
K        3.76896995      12.12500003      11.70840005      -0.14704126      -0.34408039       0.42203818
K        4.57084000       2.84434995       6.63982001      -0.60571947       1.11464464       1.10315877
K       11.03069997       6.98928002       7.87627999      -0.07711461      -0.00521509       0.78089449
K        8.78429001       8.90447995       4.76757003      -0.41282099       0.15747163       0.34819358
K        0.65484525       2.63649999       0.64856403      -0.42478574       0.37197502      -0.36218630
K       10.50490001      10.90729999      11.94940002       0.31995267       0.20257762      -0.77515423
K        0.30239801       9.70832997       3.80162996       0.11629549       0.65209262      -0.21914094
K        9.04173996       3.42380000      10.80000005      -0.12620242      -0.03702956       0.02040415
K        1.58391995       1.38928000       3.95464005       0.14454311       0.07085893       0.31070619
K        1.08722002      10.47579998       9.13822004      -0.20161705      -0.46866327       0.27735798
K        7.28931002       8.93335999       8.63505004      -0.15789623       0.08353420      -0.21504074
K        9.52255000       1.03217000       3.05649994       0.30034300      -0.11849165      -0.17811681
K        1.83570000       5.69150997       5.31200995      -0.03128306       0.22767161       0.09742423
K        4.08229004       7.04079001       1.78719001      -0.04383278       0.11878675       0.02259878
K        9.78871999       3.62508997       5.87355997      -0.26644972      -0.33174312       0.63225665
K        6.01802000       0.57093200       8.11894004       0.30524871      -0.42980483       0.13693801
Li       3.27447997       7.76038996       9.12383995       0.48054701      -0.23904596       0.34950918
Li       5.27523998       3.14125997       3.00796003      -0.37812447       0.45581669      -0.48726227
Li       6.34514999       5.91622995       9.27882002       0.26377064      -0.59383859       0.06374218
Li       6.61848995       1.09546004       0.72859997       0.20520769       0.16123882       0.30449151
Li       0.99081903       0.81658901       8.01888002      -0.27100217       1.40581844       0.08444147
Li       6.40626999       5.55050004       5.47519002       0.49376412       0.13298546       0.65410683
Li       4.14191996       8.53137006       6.26884997      -0.06393606       0.32489496      -0.18007809
Li       6.25955001      11.90560001       4.24848995       0.08987307      -0.24173127       0.49935260
Li       3.99550004       3.55172998      11.02990005       0.52151603      -0.89767002       0.61523570
Li       9.93515001      11.99730003       7.57054005       0.22802357       0.10377949      -0.31572398
Li       1.63633001       4.00074005       9.25430999       0.17675027      -0.21407971      -0.41915425
Li      10.38150004       6.30277995       3.54664998       0.24442019      -0.28668383      -0.36906086
Li       7.05417002       5.62325005       1.87105995       0.68526559      -1.33143318      -0.32460537
Li       7.89730001       9.99381002       1.36065002      -0.76031852       0.13444502       0.33265531
Li       7.73869997       7.61706994      12.04729998       0.13516056      -0.32965950      -0.00603153
Li      10.95650002       6.60939002      11.67110004       0.25510126      -0.11940298      -0.45787170
64
Lattice="12.85055285 0.0 0.0 0.0 12.85055285 0.0 0.0 0.0 12.85055285" Properties=species:S:1:pos:R:3:forces:R:3 energy=-546.15537727 stress="0.0017027685178914829 -0.0018671221207224348 -0.0009769410748350872 -0.0018671221207224348 0.00014825907887820305 0.0008631653352359292 -0.0009769410748350872 0.0008631653352359292 0.003392962011445174" free_energy=-546.15537727 pbc="T T T" config_type=wetmd 
Cl       2.53422000       9.63254002       9.08175003       0.15929324       0.07381614      -0.22898118
Cl       5.65534005       8.84863998       0.27213397      -0.60841733       0.27267135      -0.08472052
Cl      10.56910001      11.44640005       7.64935995      -0.06198341      -0.25647528      -0.16170187
Cl       4.09404003       1.12969994       7.89560006      -0.05400686       0.05668684      -0.05761683
Cl       6.68938998       3.31219003       1.44696994      -0.11875648       0.02623803       0.14886619
Cl       6.37824006      11.38250004       2.64454997      -1.17583407       0.51725559       0.35604496
Cl       7.30438994       7.16994000       2.69350004      -0.47092909      -0.28254814       0.17197520
Cl       8.21156997       3.74899998       6.16847997       1.29211167       0.69722092       0.43110849
Cl       7.11704996      11.79070003      11.20520006      -0.45356244       0.27044637      -0.46774922
Cl       0.13176905       8.06541999       1.45584003       0.50842762      -1.06067810       0.33748525
Cl      10.33599997       6.11049995       3.45512994       0.39834191       0.05985069       0.08676847
Cl       0.33101199      12.15159997       4.08853999      -0.02457181       0.10647740       0.14518739
Cl       9.02715999       2.43282002      10.79339998      -0.28556803       0.31107207      -0.04085943
Cl       8.39111995       0.25288706       1.19820996       0.74625579       1.29701127      -0.28218250
Cl       4.33525004       0.75436896       0.44565704       0.13962485       0.01137164       0.19355254
Cl       2.23100003       3.32302999      12.26563783       0.10412504      -0.37538449       0.08043881
Cl      12.37730001       3.78693006       8.32843996      -0.16092235       0.01588568       0.16681873
Cl      10.22720000       7.93518002       7.02203001       0.06424093      -0.21870760       0.03433767
Cl       7.61134005       8.90254998       9.59100999      -1.63230070      -0.37480147      -0.44352044
Cl       7.95752006       0.73862498       4.67127003      -0.12239397       0.04210432      -0.03683761
Cl       6.74046001       5.72294000      11.73199999      -0.08011835      -0.34283851       0.03281852
Cl      11.12469996      12.34030687      11.62959998       0.11490702       0.95643417      -0.28004907
Cl      10.50400001       8.04867006      10.41630000       1.10343395      -0.12082047       0.34157329
Cl       3.84561995       5.55635006       7.72678003      -0.20666782      -0.12836010      -0.14206058
Cl       0.08512823       8.61069002       4.67718000       0.13502455       0.12320490       0.80360027
Cl       9.07985998       9.78906001       0.65417705       0.32465526      -0.41594492       0.68864523
Cl       3.76711001       5.29800999       2.67322996      -0.23030595       0.49206124      -0.60841742
Cl       2.07120996      10.72130003       1.07533002       0.50778977       0.46401914       0.14086287
Cl       9.29489997       9.55751001       3.99873994       0.39426901       0.21195507       0.32724545
Cl       3.85811005       2.34459005       3.89480994      -0.38275387      -0.86032930      -0.39463952
Cl       3.89877999      10.27960005       4.56441999      -0.15992674       0.33966639      -0.12044579
Cl      10.78319998       5.00056994       0.19423906      -0.60409501      -0.55707850       0.03285541
K        5.62305997       3.33962005       5.92587002      -0.70042078       0.01995741       0.07838326
K        4.45203998       2.92317000      10.29359996       0.33738416       0.20535807       0.08361430
K       11.98189994       2.50101996      11.20190004      -0.01819404       0.01892268      -0.16875539
K        1.88697004       3.49566997       6.66836995       0.15882070      -0.16284821      -0.04916245
K        1.57161002       0.87662501       1.98745995       0.26905598      -0.19349818      -0.10045651
K        9.52471001       1.49746002       7.72750994       0.10254127      -0.10170729      -0.10621574
K       12.22119998      10.10509996      12.81500000      -0.67036637       0.26504272      -0.96892200
K        0.79050202       5.07846999       1.04220001      -0.23050985       0.94125887       0.47988215
K        2.34349994      11.94669996       6.53405006      -0.40655183      -0.22936253      -0.04242030
K        0.54302196       7.60794994       8.35766006      -0.68514114      -0.10986631       0.07498876
K        3.00135996       7.64366998       4.72365004       0.05511446      -0.71374082      -0.11183416
K        9.57434000       3.05087995       3.01140999      -0.48961967      -0.03057402       0.30557725
K        6.17453001      11.68749994       5.98841006       0.25592233      -0.07428807      -0.00695612
K        9.33883999       5.58914004       9.05583998      -0.00748319       0.12830996       0.08832348
K        4.82508999       7.55557006       9.79489005       0.38750257       0.13851139       0.26598968
K        3.47492995      11.59590005      11.04599996       0.23868209      -0.08769104       0.20017143
Li       6.41001999      12.49919997       0.30112996       0.14366850      -0.03553869       0.24885935
Li       4.28741001      10.75460005       1.99314002      -0.28571496      -0.35754790       0.00669683
Li       3.95465998       3.33435004       1.27173003       0.41411499       0.11612695       0.22246809
Li       5.76372996       1.41291996       2.71089005       0.41918722       0.03567003      -0.00110181
Li       8.94741999       0.30338498      11.77600003       0.20517660      -0.25785306       0.05665087
Li       5.74508998       6.35005006       1.11384004       0.17658112       0.09147876      -0.03376369
Li       9.51457002       9.50121997       8.96768005       1.04435534       0.23955880      -0.43094965
Li      11.44559998       8.34011996       2.94462001      -0.67277598      -0.39970806       0.57506748
Li       8.45433002       3.91758999      12.72833587      -0.25986531       0.17725537      -0.50946073
Li      10.91210003       9.86260000       5.83216006      -0.15649416       0.15172846       0.11969949
Li       7.79573995       9.56195001      11.73499996      -0.28407415      -0.04173904      -0.07915231
Li       0.91190697      10.11830004       3.17831002       0.23873198       0.13697242      -0.21248979
Li       9.17681997       7.23992000       5.17467000       0.01760458      -0.00091207      -0.53831839
Li       8.61377004      11.46939997       2.66508001       0.57579820      -0.06979717       0.16507144
Li       6.99582003       9.41465003       2.17194994       0.54685454      -1.19213982      -0.61745914
Li       9.23980001       6.88554995       1.50658005       0.12072844       0.04117800      -0.16442846
64
Lattice="13.03321114 0.0 0.0 0.0 13.03321114 0.0 0.0 0.0 13.03321114" Properties=species:S:1:pos:R:3:forces:R:3 energy=-544.42020769 stress="0.005293791189990631 -0.0014897084996835326 -0.0008859230883616699 -0.0014897084996835326 0.006030569267185752 0.0006034688544620162 -0.0008859230883616699 0.0006034688544620162 0.0034920963065896713" free_energy=-544.42020769 pbc="T T T" config_type=wetmd 
Cl       0.05976431       8.33157002      10.31440001       0.48533731       0.14312494      -0.05515520
Cl       3.84616994       7.64280000      12.67578718      -0.09530228       0.08643818       0.04380915
Cl      12.84233611      10.06549996       4.80097999       0.30816794      -0.13679115       0.26667261
Cl       0.73346299      12.50778219      10.80009996       0.21956066      -0.01148887      -0.73847214
Cl       7.09269005       6.73927003       2.68641004      -0.42170375       0.35596587       0.15424987
Cl       6.36907001       0.43749401       4.05536002       0.57806055       0.16048948       0.39190459
Cl       5.97544006      10.44670001       1.58902996      -0.03011669      -0.97065397       0.40101684
Cl      10.10759997       2.24183001       3.96025003      -0.21302258       0.26183226      -0.03903787
Cl       7.17640002       0.81296805       9.62821005      -0.01437826       0.23025327       0.01895322
Cl       0.37170796       9.42132998       1.37497002       0.05319533      -0.23618007      -0.02412921
Cl      11.57510005       5.47784000       3.33443994      -0.21477726      -0.22153737      -0.86314602
Cl      12.67939999       0.49153596       1.59520001      -0.68021339      -0.43954370      -0.16956761
Cl      11.18750004       3.29062997       0.04598964      -0.38184985       0.46327012       0.17994970
Cl       8.55650005      12.40370000       0.19412603       0.10881770       0.17825749       0.19117367
Cl       5.99647005       2.03424002       0.86325800       0.45497336       0.09913175      -0.49378531
Cl       2.50453002       3.44677996       1.22673002      -0.25373135       0.17473074      -0.08836457
Cl       0.53170197       3.64431001       6.48006996      -0.20687997       0.22208684       0.17512213
Cl       7.22525006       8.73900997       6.07651000      -0.67856244      -0.07174672       0.12835546
Cl       6.09220003       5.93633000       9.38115002       0.24090785       0.31424232      -0.32460816
Cl       4.73787996       2.97974005       5.86575998       0.00440554      -0.19468240       0.15202237
Cl       8.91445002       4.59944002       6.78649001       0.07051625       0.19217632      -0.31582016
Cl      10.29339999      11.75730004       7.85717000       0.57566656      -0.38773794      -0.61492032
Cl      11.11320005       7.08784001       8.05612001      -1.07691712       0.46753128       0.67869319
Cl       2.10376998       3.75724995      10.38460002       0.97584158       0.52535299      -0.42701971
Cl       2.32285996       7.65303003       6.81934999       0.07203748       0.24633269       0.27063243
Cl       9.71851000      10.00889998      10.73389998      -0.03244783      -0.71564152      -0.40231544
Cl       3.05558005       7.61875998       3.62183006       0.21614114      -0.19216302       0.47904780
Cl       5.10136006      10.96400002      10.92810004       0.40914974       0.19025428      -0.18042826
Cl       9.61531994      10.76190001       3.70922999      -0.54542933      -0.11360864      -1.13769504
Cl       3.77498997      11.94849999       6.39081996      -0.35359656      -0.53547859       0.13947221
Cl       2.64758997       0.63326105       3.11328003       0.39986270      -0.53502027       0.33153139
Cl       9.84109999       7.29353001       0.03261235       0.35771575      -0.50260960      -0.16575073
K        2.45313003       1.91455995       8.11222994       0.28724687      -0.19872231      -0.43804552
K        5.66970999       3.52954998      10.89570000      -0.14842130      -0.43113080       0.49455570
K        0.66403403       2.14834005      11.99659996      -0.12682797      -0.55583863       1.19518579
K        0.65314100       5.88577000       0.95424402       0.41375890       0.18609613      -0.14472273
K        0.43221895       2.47549997       3.72313995       0.06787815       0.04099459      -0.28671496
K        8.41250001       1.78471997       6.91869994      -0.17681951      -0.56945648      -0.10239084
K        2.48311006      10.77550004      12.42290001       0.15645245      -0.39593096       0.29357181
K        7.21707003       8.79167000      11.99930005      -0.42937187       0.03024659       0.21930759
K        0.48056095      10.72530002       8.03630002       0.25281884       0.01026430       0.06316081
K        0.14958881       5.19237006       9.02378002      -0.38633662       0.35919376      -0.16886102
K       12.37979996       6.59295999       5.69827996       0.91168369       0.43493140      -0.02318863
K        6.80746005       3.70386996       3.55822004      -0.10342606      -0.39177945      -0.28172440
K        6.41539004      11.29090006       7.68657999       0.18020590      -0.04959215       0.23692056
K       10.90820002      12.59109999      11.09950006      -0.49166442       0.16557384       0.23429710
K        4.78373002       5.85067000       5.84728996       0.11766679       0.29784164       0.15561048
K        3.20382996       7.29615999       9.68720996       0.21434057       0.05466317       0.57548648
Li       6.82055999      12.76170003      11.73620006      -0.13998317      -0.16303017      -0.10454237
Li       6.97585996      12.20869997       2.39225998       0.44861676       0.46866734      -0.48733932
Li       4.06445994       1.60965996       1.70096999      -0.63137287       0.39044950       0.09087165
Li       4.26923006       0.40347798       4.66987997      -0.29634225       0.16503182       0.18178271
Li      10.33400001       5.10912003       1.26759995      -0.11191014       0.40764368      -0.25447531
Li       4.91589004       8.05437004       2.67666003       1.11202341       0.01627844      -1.17433703
Li       8.17510997       6.01178004       8.42706006      -0.05432490       0.20112708      -0.34757299
Li       1.44844006       8.97381995       3.28993999      -0.74660601       0.68557262      -0.19306952
Li      10.98510001       8.13124005      11.01160004      -0.16887170      -0.14931259       0.91495621
Li      10.60159998       1.53886995       1.59033002       0.15507031      -0.16824430       0.10457015
Li      10.65599996       9.29821996       8.74492001      -0.36585293       0.34284672      -0.22683137
Li       3.72804005       9.13246006       5.59369000      -0.09563894       0.22750369       0.20869258
Li      10.22849994       4.42952996       4.82913004      -0.15195692      -0.51111636       0.03423449
Li      11.93779998      10.67409996       2.58511006      -0.10624437       0.26465963      -0.07051913
Li      10.87450005      11.11349994       5.30466994       0.15439984       0.18565761       1.10440087
Li       7.92581996       9.44956995       2.63467002      -0.07161931      -0.39767637       0.23433929
64
Lattice="11.7019813 0.0 0.0 0.0 11.7019813 0.0 0.0 0.0 11.7019813" Properties=species:S:1:pos:R:3:forces:R:3 energy=-546.50961993 stress="-0.019247774658328106 0.00036820672723674786 0.002962721929889242 0.00036820672723674786 -0.020897735739822374 -0.00015196517464998826 0.002962721929889242 -0.00015196517464998826 -0.02294714728869423" free_energy=-546.50961993 pbc="T T T" config_type=wetmd 
Cl       9.56818001       5.52574005       4.46149996       0.09697465       0.02853111       0.32433193
Cl       6.21740005       4.72379005       2.41397001       0.13399325      -0.23208917      -0.69362198
Cl       0.48389401       7.89178003       2.02838001      -0.72864902      -0.20556419       0.11013428
Cl       8.29403997       8.22173003       1.45340000       0.58395430      -1.11719566      -0.60826295
Cl       2.04480995      10.25659996       4.02540000       0.37490659      -0.78617281       0.82034796
Cl       6.99528995       8.57038003       8.42181004      -0.25732063       0.59415937      -0.65024465
Cl       6.40853997      10.84430003       3.20990999       0.10606131       0.76529263      -0.08873713
Cl      10.77780001       9.53065000       6.17891001      -0.18343406       0.37613894       0.18845533
Cl       7.49118997       1.30173004       0.27671874       0.72893131       0.27012234       0.23090723
Cl       1.86791999      10.76300004       0.59174895      -0.03398490       0.09569450      -0.62116743
Cl       8.72549997       4.58131994       9.28957994      -0.29887030      -0.01719332      -0.33469832
Cl       1.75466002       5.01575003       0.14521866       0.51286735       0.02575472       0.30082761
Cl       6.15856003      10.04430004      11.47240001      -0.09617285      -0.80281081       0.48747552
Cl       0.13741871       2.03332000       1.94030002       0.41184956      -0.79829004      -0.31836027
Cl       6.77897005       7.39028004       3.95209996       0.85322059       1.07546866       1.24990149
Cl       0.13291871       1.20349003       5.44835999      -0.39101060       1.08919623       0.09073596
Cl      10.51589995       7.15238999      10.77009999       0.71961129       0.73477133      -0.41127724
Cl      10.07440000       4.77138996       0.93123805      -1.13926211      -0.44449838       0.36145083
Cl       5.08357998       4.86240001       6.57508000       0.11939482      -0.07898005       0.28189254
Cl       7.21011001       1.27697005       7.10373994       0.42989092       0.01773552       0.02547971
Cl       1.00464002       5.08618999       3.56073001       0.65953637      -0.37276414       0.24996119
Cl      10.28729999      10.86539999       2.41168005      -0.14993302      -0.17556565      -0.04937196
Cl       4.65158004       2.14936996      11.69359999      -0.95529525       0.05528238       0.12433463
Cl       5.09540998       5.72986999      10.47959994      -0.50812500      -0.42672194       0.18193589
Cl      10.99079994       2.12963000      10.14669999       0.50150715       0.09352550      -0.19165430
Cl       4.28687001       8.24579001       1.81607998      -0.59108419      -0.76679702      -0.19219765
Cl       0.51902301       5.39294994       8.10036995       0.35407838      -0.76261630       0.43171097
Cl       3.52589005       1.29862000       7.79286997       0.22095224       0.42153263       0.14154193
Cl       9.62873004      10.64319996      11.11200005       0.30151930       0.02246028       0.49250862
Cl       3.58222994       2.18300999       3.33723001       0.03580199      -0.24700320      -0.11352359
Cl       8.88253003       2.47562003       3.35358001      -0.30379942      -0.41279090       0.26446031
Cl       2.48249997       9.20803995       8.57047997      -0.07993768      -0.34478456      -0.24469008
K        1.69619002      11.06109994       6.69768996      -0.10574813       0.26108633      -0.01412169
K        2.44985004       3.57679004       5.97983005      -0.54615127      -0.58461928      -0.17954585
K        6.13964003       3.04536995       9.11863997      -0.05633074      -0.02095916       0.31267957
K        9.82680000       8.48366004       3.85690996      -0.17139693      -0.34795521       0.29402962
K        0.75746199       7.32865998       6.18797003       0.23586635      -0.01824892      -0.69193723
K        6.37862994       2.97806004       4.71954000      -0.09067233      -0.54923138       0.07073022
K        6.71208995      10.35479995       6.06598004      -0.04874910       0.01235504      -0.21452629
K        7.68536995       6.85856003      10.46450005       0.02865502       0.19403443       1.09245738
K        1.72308995       7.95256000      10.94090000      -0.00860509      -0.30441570       0.40528988
K        2.63284995       3.20073997      10.00649995      -0.37696816      -0.37777028      -0.81853325
K        7.80113999       6.41283998       6.66552999       0.22975902      -0.35744706      -0.10066760
K        4.37203996       6.36549997       4.23384003      -1.14762994      -0.12466479      -0.61831447
K        9.91409994       3.14619001       7.21182002       0.47026466      -0.61589182      -0.44152409
K        9.88832995       9.52033997       8.76664999       0.19809306      -0.62993618      -0.52508591
K        4.30008003       7.10322002       8.16697002       0.10916690       0.12323977       0.08743442
K        4.07447999      11.13839996      10.07720005      -0.48660237       0.54268865      -0.02551161
Li       7.60887000      11.24780002      10.59409997       0.21064015       0.89085145      -0.42665625
Li       6.40271005       9.04638000       1.98828002      -1.41489200      -0.58781415       0.31455902
Li       8.07520004      10.40279995       1.28137994       0.35450120       1.39246170       0.06354395
Li      11.00070005       4.61179003      10.30209996      -0.24945347       0.01677070      -0.13439538
Li      10.39240005       8.86010997       1.08089001       0.33291486       0.28836811      -0.89584965
Li       2.21239999       9.03299996       2.24705997       0.82137694       0.48846857      -0.15279064
Li       8.46766999       3.23330998       1.21455004      -0.42575877      -0.58194891      -0.14327801
Li       4.55251002       5.20912001       0.95215394      -0.02161702       0.02298901      -0.36824396
Li       1.96662995       3.18754002       1.87955000       0.40267235       0.47055640       0.28122227
Li       1.94978003       0.02621864       2.56229005      -0.22138957       1.20227632      -0.09440131
Li       5.22889004       0.78961096       1.89539004       0.17816947       0.25170112      -0.22713208
Li      10.71540001       3.65010997       2.94227994       0.15841197       0.75138682       0.43508630
Li       8.23326994       6.03651000       2.60722999      -0.21676192      -0.14445083       0.13672008
Li      10.52179998       0.90692894       3.70403996       0.02398427       0.16837764       0.05175877
Li       0.13971873       5.85253005       1.31622002       0.30050503       0.23720805       0.53274744
Li      11.12439994       0.52627695       0.15681872       0.10557321       0.25670555       0.15366993
64
Lattice="10.87153474 0.0 0.0 0.0 10.87153474 0.0 0.0 0.0 10.87153474" Properties=species:S:1:pos:R:3:forces:R:3 energy=-539.65037904 stress="-0.06489131467171638 -0.0005233102887129584 -0.0020114293194409844 -0.0005233102887129584 -0.059176878284903756 -0.004991119952809637 -0.0020114293194409844 -0.004991119952809637 -0.05881287941459894" free_energy=-539.65037904 pbc="T T T" config_type=wetmd 
Cl       7.57396995       6.62132998       2.52979004       0.58994906      -1.25182437       0.89081877
Cl       8.90701004       8.19342000      10.69130002       0.60072896       0.36764487       0.48395301
Cl       4.15789000       8.59863004       4.09829996       0.21423978      -0.84775054      -0.49513456
Cl       7.46430998      10.11240004       2.48609996      -0.09968713       0.12843583      -0.34737555
Cl       4.48445003       0.83386498       4.31395001       0.01694040       0.34608641      -1.52392871
Cl       5.57825003       8.83957999       8.78177996       1.19483962       0.12683814       0.35301757
Cl       5.35387003       2.99685999       1.75526005       1.45156497      -0.09674255      -0.03899223
Cl      10.33869995       8.11668001       6.62347004       0.44055233       0.07616205       0.25277111
Cl       7.68969005       1.42146002       0.31616521      -0.54838345       0.31002919      -0.08781555
Cl       2.15482005       6.59356005       2.06959004      -0.13064088      -0.30343690      -0.29730000
Cl       9.95954996       4.02068003       8.87017999       0.36381486       0.54541142       0.62348395
Cl       2.88689996       4.40432997      10.62060004       0.23205089       0.10849153       0.77533322
Cl       2.45659004      10.42680004       2.21215000      -0.62136490       0.16125244      -0.83253751
Cl      10.76069999       0.64228299       4.02320005       1.34633138       1.11531548      -1.34382456
Cl       6.96195005       8.29185000       5.10774001       0.58101997      -1.05318627       0.63233208
Cl       7.49704004       0.72616525       7.73945004      -0.25204931      -0.43237413      -0.23055068
Cl       1.29278997       8.63508001      10.11189995       0.22453425      -0.17091918       0.20089175
Cl       8.38404997       2.06439997       4.04480005      -1.49335569       1.74832297      -1.09127615
Cl       7.24097995       4.64331000       6.78538002       0.90791102       0.38902081       0.79595166
Cl       4.20761998       1.61632999       7.35176002       0.67041061       0.42185566       0.29895018
Cl       0.09226530       4.05943999       5.26076001       0.17849362       0.86498721      -0.58260338
Cl      10.51279997       8.24765004       2.99359005      -0.44184551       0.14008614       0.21191638
Cl       4.53664002       0.62516521      10.59209999       0.64779832       0.34290295       0.66233853
Cl       6.60934998       5.44415998      10.50199997       0.64626033       0.25663442       0.54224797
Cl       2.30949003       2.78738997       2.52299001      -0.69089194       0.37011370       0.39172186
Cl       4.95964003       8.07143997       0.87410705      -0.35285449       0.13762024       0.00469152
Cl       3.58781998       4.62293001       7.48550001      -0.93018168      -0.09015914       0.08122827
Cl       0.96486001       0.84446527       7.07282003      -0.16650049       0.32721112       0.22842700
Cl      10.04409995       4.29409000       1.39782997      -0.20059809      -0.05268069      -0.20602845
Cl       4.71148996       5.08568003       4.15363999      -0.84788521       0.30168129      -2.08565741
Cl      10.62189995       0.70426530       0.28656528       0.61614264       0.07516997       0.33527655
Cl       3.25240998       8.14807004       6.88465996      -2.05419397       0.45376985       1.13313874
K        1.80854003       9.98203001       4.97987000       0.52996620      -0.84966935       0.65845626
K        2.60170003       2.79626995       5.45308996      -0.17179596      -0.20122128      -0.04001236
K        5.66579002       3.22968999       9.31609002      -0.35950469      -0.89936061      -0.57195604
K        8.69611998      10.31200000       5.02178998      -0.21479637      -0.52516554       0.94924357
K        2.24845005       6.30540002       4.90808003      -0.68609373       0.17576907       0.31686660
K        5.94475001       3.02947002       5.15088000       0.13867592      -1.44008297       0.57366436
K        5.32908000      10.08629998       6.33429004       0.06483463       0.19763487      -0.00400571
K        7.97774995       7.14774002       8.33048005      -0.08162790      -0.45965237      -0.68515344
K        1.29263005       6.34436002       8.44635995      -0.63977268      -0.37497375      -0.36334167
K        1.57667998       2.34213996       9.53281004      -0.18817549      -0.37114371      -0.58628896
K        9.04735003       6.29615998       4.95438005      -0.07447672      -0.40548762      -0.01715160
K        5.14337005       6.44577002       6.32801999       1.55084055       0.93808345       0.34844687
K        9.33016996       2.34240001       6.80360996       0.59472189       0.68499464      -0.72459302
K       10.03329995      10.23189995       8.58540003      -0.19268274      -0.40411806       0.53294520
K        4.08422002       6.61278995       9.55816996      -0.04767964       0.58034707      -0.19655328
K        3.04018001      10.50729995       8.67744997      -0.82414974      -1.48513379      -0.13219260
Li       5.93450000       0.84926527       2.49245002       0.29651138      -0.17267359       0.10215981
Li       6.13487000       8.46328998       2.56635004      -0.50860076      -0.05048105       1.93312541
Li       7.87848001       3.10516004       2.03660004      -0.21015861      -0.45215636       0.06897922
Li       9.39220000       9.90550995       1.45420997       0.13097143       0.04945177      -0.11900978
Li       1.07897003       8.69090002       1.44030995       0.06012950       0.24160166      -0.47581038
Li       3.26572000       8.57210001       2.21022998       1.05789809      -1.04616995      -0.21396445
Li       8.73114002       3.10218004      10.50249995       0.81209089       0.66240862      -0.68849114
Li       5.90747000       5.16852004       2.22042998       0.62151241       0.68601784      -0.28069868
Li       1.58667995       4.56139005       1.51481997      -0.85577758       0.17058835      -0.53364618
Li       3.66057001       1.25990999       1.54231996       0.02429223       0.18428341       0.29013238
Li       3.85302998       4.38036998       2.11183998      -1.09697410       0.52060137       0.03824686
Li      10.34100004       3.15990996       3.21380005       0.20281336      -0.72420383       1.27898126
Li       6.62558999      10.80569999       9.48249005      -0.66159996      -0.33697194       0.89019824
Li      10.05249995       6.56060995       1.46483005      -0.47077607       0.56637670      -0.08833329
Li       7.07237995       7.48482000       0.78036529      -0.15947614       0.06445624      -1.81903280
Li       0.98317801       1.08929995       2.16616004      -0.73428987      -0.33991924      -0.17667603
64
Lattice="11.91659244 0.0 0.0 0.0 11.91659244 0.0 0.0 0.0 11.91659244" Properties=species:S:1:pos:R:3:forces:R:3 energy=-541.36583046 stress="-0.025679688871914914 -0.0010370173790018146 0.001780524021487457 -0.0010370173790018146 -0.02127536599116002 0.0023665610462514125 0.001780524021487457 0.0023665610462514125 -0.013411845966938729" free_energy=-541.36583046 pbc="T T T" config_type=wetmd 
Cl       7.71785998       7.95414003       2.07439000       1.00841314      -0.22475936       1.08121975
Cl       0.29490754      11.68539994      11.54729998      -0.76894092      -0.89110389      -1.20003207
Cl       2.23726003       6.62864006       2.81219999       0.18040938      -0.09932446       1.04274795
Cl       8.19763999       5.52355998      11.30730005       0.52380966      -0.42256812      -0.54633664
Cl       5.39815000       1.77410999       3.30692995       0.12776209      -0.33822099       1.08245853
Cl       5.64578001       6.61973002       6.34107004      -0.32877415      -0.39500522       1.65733499
Cl       4.46022003       9.31305997       2.52805003       0.23414099       0.03445568       0.40567514
Cl       8.47998994      10.27660001       6.97811999       0.23575694       0.11539097      -0.11906618
Cl       9.40633996      10.82419996       1.78161005      -0.46418259      -0.62486403       1.45869744
Cl       2.50347003       3.46052994       1.91198997       0.00426305       0.10464909      -0.61750047
Cl       9.13843005       1.23529995       0.04130756      -0.27862480       1.25675832      -1.72515181
Cl       3.67728001       9.34478003      10.99519996      -0.61132168       1.29259638      -0.50081880
Cl      11.89220001       1.75631995       2.95851000      -0.74520010      -0.23496799       0.22445764
Cl       5.77497005       0.04950760       0.58869099       0.06636382       0.09527063      -0.26958087
Cl       2.30835001      11.50860001       2.16785005       0.24110723       0.45931425       0.31126349
Cl      10.22549999       7.88116997      11.35310004      -0.85800358       0.88189568      -0.27943620
Cl       1.27151996       7.45441999       0.11290757       0.33656094      -0.06149206      -0.64650501
Cl       8.42455002       3.39145005       2.23343004      -0.45621167       0.18951775       0.63223705
Cl       8.89596005       2.44099003       8.00191997       0.10198483      -0.50651678      -0.56066173
Cl       5.33441994       1.79075997       7.94496998       0.08007732      -0.20003052      -0.07760290
Cl       9.86987002       6.50838996       6.80771999       0.30919149       0.49017585       0.41808938
Cl      11.89630003       9.49875003       2.27666999       0.64153417      -1.33885565       0.37859736
Cl       3.06253006       0.92107395      11.24230004       0.43190665      -0.30940929      -0.40097808
Cl       4.93928004       6.85647994       0.08670751       0.76726474      -0.08244048      -0.37515373
Cl       0.11350757       3.24438000      11.28020005      -0.23160866       0.64262363      -0.24953909
Cl       7.09424003       9.32558002      10.88580004       0.38966155       0.06682143      -0.93671768
Cl       2.14507006       5.35899994       8.23227997      -0.54248195      -0.24165770      -0.71908690
Cl       1.46017999       2.10500004       7.09308996      -0.67090507      -0.69511794       0.42139422
Cl      10.84840006       5.54577001       2.21284996      -0.35462185       0.62523649       0.05828034
Cl       5.44497994       5.03082998       3.02842000       0.74610424       0.68795296       1.11554098
Cl       5.05671996       3.65646005       0.15210756       0.95757126      -0.46841463      -0.85833168
Cl       1.51828994       9.33773006       7.37342994      -0.47077010      -0.02197194       0.04372076
K       11.35119994      11.72240001       8.02810001      -0.11982922       0.24272839       0.40314589
K        1.91412995       3.16688997       4.57747001       0.06391150       0.28029413      -0.29873108
K        7.48125997       0.01360756       9.51721003      -0.07527335       0.17966723       0.39169340
K        6.37286005       8.10317001       4.32690006       0.05556328       0.75447274      -0.49101415
K       10.96509996       9.37005000       4.95711000      -0.18413966      -0.10996928       0.14332447
K        5.58001996       3.79511997       5.82426006      -0.31007670      -0.13778662      -0.74269066
K        7.72933995       7.59426001       8.47173996       0.20533969       0.29454771       0.32188756
K        6.94654996       3.86236995       9.49555996      -0.67850042      -0.38022688       0.35157742
K       11.05020004       4.21910995       8.19248999       0.77873643      -0.26132519       0.34737935
K        2.77219003       2.93151999       9.54194006       0.13979399       0.77972692       0.22589014
K        9.19752003       5.17876005       4.49240997      -0.30761960      -0.43088709      -0.81372064
K        3.02146000       8.19399994       5.17584001      -0.00223267      -0.30829731      -0.75363906
K        3.09397997      11.70029997       7.88017005       0.40364963       0.15964325       0.44345822
K        0.17530761       7.05769006       9.50451004       0.09999752       0.17237792      -0.42835205
K        3.92504003       7.26964000       8.76074998       0.42653462       0.72317842       0.81075417
K        7.81827002       1.01152005       5.58675999      -0.19575420      -0.14914835      -0.48649434
Li      10.15769994       7.96207005       1.67829999       0.14221853      -0.34422536       0.15612356
Li       3.73993996      11.09650006       0.58920805       0.39501409       0.22996056      -0.04723988
Li       6.63034997       2.33884005       1.44333005      -0.25649698       0.08800884      -0.11866966
Li       0.01140752      11.66369995       1.80582004      -0.49777326       0.42466164       0.80331258
Li       1.46672995       1.56025994       0.83498395      -0.46915989       0.37458549       0.16696129
Li       3.12450003       8.13531001       1.12627004       0.17950219      -0.80404382       0.31531350
Li       7.79908002       0.00337251       1.10500000       0.07772748      -0.17296060       0.09818522
Li       4.02476999       1.82958006       1.35311001       0.18865219       0.03708134       0.03797444
Li       0.71336297       4.77037998       1.26957004       0.52866173       0.05133331      -0.27676161
Li       9.78787004       3.78606003       0.48135705       0.36871551      -0.28854566       0.02296792
Li       3.92833997       5.66254999       1.58763998      -0.43428434      -0.82815508       0.26797840
Li       7.65703996       7.51212001       0.14970755       0.16867684       0.05665427      -1.68375891
Li       5.51502996       9.20490998       0.49023396       0.15767236      -0.13054610       0.23553129
Li       1.68891005       9.84990997       0.30852499      -0.86162182       0.06268286      -0.05735697
Li       6.92490001       5.17928998       1.15447995      -0.69039005      -0.34227238       0.66813331
Li      10.62369996      10.05279996       0.15805596       0.10054822      -0.00915334      -0.26237831
64
Lattice="10.66279799 0.0 0.0 0.0 10.66279799 0.0 0.0 0.0 10.66279799" Properties=species:S:1:pos:R:3:forces:R:3 energy=-535.93403833 stress="-0.08625401539125993 0.012284333090675443 0.0015583776891921555 0.012284333090675443 -0.08207894159904597 0.006439659932653537 0.0015583776891921555 0.006439659932653537 -0.073952366793892" free_energy=-535.93403833 pbc="T T T" config_type=wetmd 
Cl       7.38626998       7.89402005       3.69469000      -0.55072634      -0.20043302      -1.04365027
Cl       9.82350997       0.39340201      10.27310002      -0.11433710       1.92417833       1.46892304
Cl       3.01934996       7.36620995       4.22256002      -0.94328277      -0.14165905       1.04876490
Cl       7.43013001       5.79810998       0.42890199      -0.16400757       0.58998366      -0.61285565
Cl       4.19876002       2.13610999       2.92958999       0.45927005       0.18003398      -1.10566797
Cl       7.26026002       4.16989998       6.93168003      -0.64169508       0.04877414       0.26814399
Cl       4.50288999       9.46083003       2.85281998       0.45669488       0.32234690      -1.55089974
Cl       6.92774002       7.38244001       6.74019996      -0.20906940       1.05085796       0.41713022
Cl       7.38546995       0.59280199       3.63400002      -0.30050123       0.10132538      -0.37941063
Cl       1.90974998       4.09904004       3.49973001       0.32146350       1.33527935       0.07106784
Cl       7.22204999       2.28419002       0.79810201      -0.46355716       0.95868403      -0.45379323
Cl       2.36981997       8.97682996       0.80330204      -1.06280294       0.52956620      -0.52784957
Cl       9.99842997       2.57624001       2.85607000       0.03888393      -0.36759234      -1.21225554
Cl       4.83741001       0.47180205      10.56179997      -1.00156778       0.32792453      -1.11954868
Cl       1.84065996       0.44710200       3.56642997      -0.32591227      -0.93921892       0.54673962
Cl       9.65829002       8.11015998      10.24039999       1.47831327      -1.78112847       0.20902613
Cl       1.89421002       5.88999995       0.70063102      -0.24893731       0.52401917      -0.61513386
Cl       7.27104000       4.32722999       3.68715001       0.65003106       0.07848170      -1.15891977
Cl       0.02890205       4.61874002       6.65440005       0.89582052      -0.46185483       0.57022851
Cl       6.90415999       0.55040201       6.88692998       0.22282306       0.53078904      -0.18736719
Cl      10.32229998       8.11087001       6.92140995       1.46673487      -0.79461707       0.56008278
Cl      10.06999995       9.51078002       2.61050000      -0.39383842      -0.58878995       0.02950667
Cl       1.93084004       1.70300995       0.47120205      -0.02797516      -0.26954092      -0.76433747
Cl       4.76668005       7.60585996      10.26589997      -0.20633149      -0.84676817      -0.52319874
Cl       9.91066000       4.35205000      10.40029995      -0.09363572      -0.87591762       0.03388732
Cl       7.23738000       9.57880995       0.59020197      -0.20862218      -1.02998528       0.11366998
Cl       3.70707004       3.83331000       7.14160003      -0.54148246       1.67629225      -1.35545748
Cl       3.28893002      10.66040003       7.30986997      -0.00435913       0.36588533      -0.84138736
Cl      10.06360003       6.49772004       2.70791000       0.13262073      -0.70040221      -0.52966263
Cl       4.94566002       5.85033999       2.32634998      -0.18493497      -0.58075655      -0.16485695
Cl       4.12182004       3.92181005      10.41049998       0.69481045       1.97214379      -1.55883384
Cl      10.49590004       1.09110205       7.16989003      -0.16486711      -0.51802710      -0.27383085
K        1.57685999       3.67582005       9.12445000      -0.27131505      -0.05476631      -0.45523366
K        1.75375005       2.28887995       5.67641003       0.42800825       0.22307351      -0.03496408
K        8.49569999       9.56891999       8.53110997      -0.94071819       0.31530053      -1.15923704
K        5.30835999       5.79798000       5.02323997      -0.31013293      -0.19056635       0.26970798
K        9.12380000       9.68524003       5.24287996      -0.18610712       0.82748691      -0.53784448
K        5.77014999       2.51371997       4.98515001      -0.44630867      -0.32021241       1.09886282
K        8.86692999       6.10963002       8.47235998       0.46118164      -0.31683793       0.02725341
K        8.46229995       2.28478000       8.54543000       0.39109814       0.46590908       1.38553752
K        2.50930003       6.84603996       7.07052001      -0.77461998      -0.13471667      -0.07955116
K        5.15027005       2.22887996       8.49569999       0.98869053      -0.97243607      -0.04526606
K        8.97708000       6.12456999       5.19962003       0.10902633      -0.05075676      -0.23353497
K        5.52088001       9.44464999       5.12577003       0.02476099       0.10794402       1.27490431
K        5.42112996       9.29406004       8.15588003      -0.01958788      -0.14439428       0.95542643
K        1.10848998       9.94868002       8.85751005       0.72490363      -0.70208668       0.16607511
K        5.67206004       5.74897997       8.54423001      -0.44740872      -0.87986738       0.63938888
K        8.83663005       2.54339998       5.36176995       0.51732328      -0.20161489      -0.27586137
Li       0.34820199       7.93400000       1.19584996       0.52735094      -0.61498954       0.10597628
Li       3.40126003       0.27580201       1.62109002      -0.95784574       0.54667377       0.44599404
Li       6.10951998       0.38650201       1.61568996       0.30129574       0.57707769       1.49463007
Li       0.31550206       0.41220202       1.67146001       0.87572811       0.96351823      -0.63460006
Li       1.73016000       2.27860997       2.44209998      -0.20743687       0.39776563       0.79429407
Li       3.42731000       7.23838998       1.91835998      -0.47282074      -0.07634103      -0.27990405
Li       8.65209999       0.68050201       1.60526995      -0.09142377       0.01550191       0.26626672
Li       4.64482996       2.47558000       0.86730197       0.66554402      -2.20685623       1.00674981
Li       0.19790206       4.64957000       1.72651001       1.04286113       0.01059833       0.45480176
Li       8.60483000       4.37069998       1.67730003       0.04585059      -0.40992421       0.39664519
Li       3.23872999       4.46414000       1.57989995      -0.40848847       0.24894856       1.33101857
Li       6.41600004       7.38333995       1.54327004      -0.60186635       0.21172481       0.38871787
Li       4.74204003       9.25426999       0.79030206       0.17291910      -0.23234010      -0.28485521
Li       2.01080004       8.94101000       2.98034001      -0.35627660       0.42233247       0.91293936
Li       6.15904996       4.30157999       1.34589995      -0.03565238      -0.13551437       0.34809205
Li       8.59903999       7.97723999       1.44540998       0.28644434      -0.10950846       0.89931627
64
Lattice="12.17983276 0.0 0.0 0.0 12.17983276 0.0 0.0 0.0 12.17983276" Properties=species:S:1:pos:R:3:forces:R:3 energy=-546.50182051 stress="-0.014575232228978486 0.0011382130011917348 -0.0035120868679199245 0.0011382130011917348 -0.013604385750627477 0.0004694681099668185 -0.0035120868679199245 0.0004694681099668185 3.0493273566559336e-05" free_energy=-546.50182051 pbc="T T T" config_type=wetmd 
Cl       7.07126000       8.15065005       2.42292999      -0.48099964       0.52690309       0.13416745
Cl       0.96594405       2.30236000      10.93080005       1.17135471       0.10705294      -1.02611219
Cl       0.46136902       5.55000997       5.87385004      -0.05841598       0.08186539      -0.18784437
Cl       7.27596998       5.74737003      12.10360004      -0.33955967      -0.32110885      -0.07862304
Cl       3.98027995      10.40129996       2.31358006      -0.36355309      -0.37213131       0.18423258
Cl      10.77400005       1.91045999       7.96718000      -0.48474033       0.14023581      -1.39626389
Cl       0.61367405       9.57041004       2.92171996       0.65764396      -0.44073393       0.02424115
Cl       8.93508999       6.85452998       6.89269001      -0.07013538       0.37024148       0.26085544
Cl       7.04751006      12.10370004       2.26437000       0.74501937      -1.44804172       0.99616042
Cl       1.10864005       3.98846004       1.91204995       0.46229814      -0.18062049       0.26740103
Cl       7.43257998       2.21522998       0.52655804       0.25221096       1.24995134      -1.11887000
Cl       1.05855000      10.49400006      11.45270003      -0.15741977      -0.39053419      -0.38249477
Cl      10.32689994       2.88407003       2.30681002      -0.02775351      -0.49739647       1.35434164
Cl       4.16077995       0.11609999      11.69560000      -0.28472276       0.06802662      -0.70070933
Cl       1.19578005       0.72638001       1.84544003      -0.09344338       0.47673565       0.83780584
Cl       9.53981004       8.87881003      11.87220003       0.52940704      -0.16882679      -0.95088382
Cl       1.00272994       6.87663005       0.44482199      -1.20753922       1.10384525      -0.29758152
Cl       7.36577006       4.65164999       3.48156001      -0.37975828      -0.57966748       0.04439640
Cl       2.67008998       5.72670000       8.67278998      -0.27622213      -0.06464169      -0.38264824
Cl       7.75218001       0.04446723       7.10805004      -0.11736767       0.00911513       0.09576976
Cl      10.25010001      11.07130002       1.97832005       0.12000614      -0.09791259       1.89683433
Cl      10.59909996       0.63911699      11.68200000      -0.80474287       0.06530010      -0.61367747
Cl       4.42826004       1.85589995       2.65091003      -0.17426539       0.72690246       0.11211679
Cl       4.17553996       7.60917001       0.17656726      -0.53680730       0.71741051      -1.01843724
Cl      10.63200000       4.47483000      11.68559999      -0.45351345       0.47700057      -0.44221154
Cl       7.41990004      11.28129995      10.99670000      -0.61905327      -0.12029239      -0.81231258
Cl       3.28940000       1.54726006       6.58126996       0.13605579      -0.14802624       0.27664631
Cl       5.02098003       8.67802001       7.67673995       0.45345453      -0.64427000       0.02317568
Cl      10.02440003       6.79142006       2.40434003       1.06219524      -0.41911594       0.91479827
Cl       3.74329998       6.22800998       3.15659001       0.17052728       0.34261965       0.32306853
Cl       3.92003995       3.96316996      11.78280005       0.50068422       0.32544130       0.54369201
Cl       0.70699800       9.67563003       6.71864994      -0.09750557       0.52332720       0.35264756
K        0.34891202       0.05226719       8.71820006       0.92418721      -0.55498018       1.15962826
K        2.11146000      11.67020006       4.62729995       0.27250842      -0.00496701      -0.75325803
K        8.18996997       9.07014996       8.90447001      -0.02222315       0.08009238       0.30333568
K        2.85491005       3.78704994       4.47161001      -0.35552695      -0.12923158      -0.24758848
K       10.29300006      11.87520004       5.87396003       0.21213390      -0.00380789      -0.45837635
K        6.73639998       1.69547998       4.74713001      -0.34805558       0.07162131      -0.65290592
K       12.16419994       4.21620002       8.59586996       0.31770859       0.57754555       0.55072256
K        8.61931004       1.96938006       9.68181995      -0.34039385      -0.22322144       1.00254600
K       11.17970004       8.13720997       4.79505997      -0.22895779      -0.43083162       0.19430534
K        3.94474005       3.04009003       9.22778002      -0.50371014      -0.61314047      -0.36501130
K        2.95394000       7.65681995       5.91412997      -0.57781807      -0.33713484      -0.25796539
K        6.51099001       6.93340000       5.12503003      -0.12436525       0.30948153      -0.40389549
K        5.03477004      11.41500004       7.73313002      -0.20479405       0.60680370       0.37817076
K        1.05535998       8.14798998       9.81315996       0.08959390      -0.31870323      -0.01369131
K        5.07754001       6.45851003       9.82206000       0.56196788       0.24237628       0.60159666
K        9.72009994       4.71031001       5.15293999       0.63079473      -0.29415868      -0.40034353
Li      11.56039996       5.42736003       1.52897996       0.21917149      -0.24160105      -0.46751463
Li       2.27974997      11.31740000       0.93631198       1.45256571      -0.34378243      -0.02422643
Li       9.10317997       1.04329001       1.76045001       0.06017343      -0.15114063      -0.31528860
Li      12.03920003      11.58850005       0.78627203      -0.64468647       0.31533546      -0.26149313
Li       2.57514002       2.23632996       0.64286302      -0.10413507      -0.15076687       0.07526407
Li       2.27359002       8.19279995       1.82749999       0.75978123       0.22024201       0.11572921
Li       8.84582997       4.13784996       1.34420995      -0.50582565       0.42754045      -0.47581374
Li       5.65934005       0.87084805       0.91692400      -0.30538981       0.20174282       0.25156218
Li      11.57260001       2.59555001       0.33398904       0.18095302      -0.09291343       0.13144910
Li       8.61282002       7.42621004       0.99929499      -0.85673439      -0.17283472      -0.36689400
Li       2.38243996       5.30122994       0.60761300       0.58288492      -0.30208188       0.27020541
Li       5.91889996      10.33750005       0.36082998      -0.57852893      -0.01752469       0.57562589
Li       8.78426006      10.90539998       0.49487403      -0.22787152      -0.07803234      -0.39094772
Li      11.43719998       8.83401005       1.18075001      -0.26681642      -0.19052722      -0.07251401
Li       5.84008000       3.73372006       0.84808894       0.04743559       0.18326504       0.31309027
Li       5.57116001       6.66972002       1.40867999       0.65063437      -0.00331880       0.77081545
64
Lattice="12.27244874 0.0 0.0 0.0 12.27244874 0.0 0.0 0.0 12.27244874" Properties=species:S:1:pos:R:3:forces:R:3 energy=-546.96851202 stress="-0.009053457310316534 -0.0005732798357408163 -0.0016919056331295584 -0.0005732798357408163 -0.01072206675405259 0.0035274676378550737 -0.0016919056331295584 0.0035274676378550737 -0.0029059883096254455" free_energy=-546.96851202 pbc="T T T" config_type=wetmd 
Cl       8.18214994      11.37949997       0.05115120       0.02500932      -0.16515591       0.07219482
Cl       0.67239605       5.14697001      11.73190002       0.36271875      -0.65634828      -0.52262698
Cl      11.46099995      11.04740002       7.72740994       0.29518135      -0.08751004      -0.63593885
Cl       7.29030005       7.60404004      11.49159995       0.09779487       0.26620110      -0.19689883
Cl       8.50057004       2.20455004       1.61152998      -0.82174853       0.00706955       0.35171111
Cl       7.38664000      11.34049997       7.06032994      -0.06507200      -0.25488818      -0.21131346
Cl       2.01764003      10.69509999       2.37640997      -0.21348519      -0.03344420       0.83545735
Cl      11.72480004       3.57463996       7.68999996      -0.01252818       0.46797014      -0.47760959
Cl       6.35825997       4.77348994       2.35230001       0.17062899      -0.10745460       0.46384878
Cl      11.79550002       7.78632002       3.38166000       0.06715338      -0.27560951       0.77939147
Cl       8.16378999       4.14602995      10.85169999       0.26555239       0.11897007      -1.21460877
Cl       2.45099995       1.96821998       0.39608003      -0.47033712      -0.36283162      -0.19265737
Cl      10.11799999       4.84312001       1.35170996       0.64856466       0.49609416      -0.09568825
Cl       4.72769996       5.23028006      12.03190003      -1.03109279       0.06966793      -0.74075003
Cl      11.74400004       1.86745999       1.99437000       0.06762374       0.20818092       0.47865362
Cl      10.08499999      11.28159995       3.05840001      -0.00832614      -0.45673123       0.25047025
Cl       4.27183004       9.83877000      10.86500001      -0.41960993       0.11008412      -0.64691552
Cl       4.33282006       8.14835002       1.49547998      -0.31878974      -0.36345865       0.56509538
Cl       4.15744002       2.17550999       7.82536997      -0.22904413       0.87370500      -0.37446190
Cl       9.77365005       7.28410995       7.79714003      -0.32125033       0.37958469      -0.44422085
Cl      11.59839996       1.88285995      10.70380005      -0.90748896       0.27243185      -0.09492535
Cl       0.37210605      11.25339995      11.93420005       0.78737135      -0.69517714      -0.14263494
Cl       2.37224004       4.94450001       2.65308006      -0.32944265       0.13158752       0.11458822
Cl       4.16499997       1.99656001       3.41747002      -0.39708516       0.05183632       0.14086584
Cl      10.48470002       8.48154001       0.29579400      -0.18384223      -0.60162723      -0.08221441
Cl       5.49940001       2.12732995      12.25879994       0.30618448      -0.43953102      -0.45369391
Cl       2.88231001      11.34779999       7.37873003      -0.59902414      -0.73326209       0.07233936
Cl       7.56962000       3.12405001       5.95072005       0.24191450      -0.11258584      -0.10504549
Cl       7.94871999       7.61362004       2.51424995      -0.12307759       0.85402244       1.04898830
Cl       5.44310997      11.43519995       2.69949004       0.26649282      -0.39580650      -0.59931952
Cl       1.22582998       8.11626996      12.21550004       0.64461982       0.38049557      -0.20379592
Cl       2.40340003       6.93988997       7.26616996       0.14821702      -0.07132974       0.10513137
K        1.54680005       9.33687998       9.02398998       0.02379185      -0.13810603       0.41977495
K        0.63988106       5.20732997       5.55017997       0.03773245       0.06264038      -0.33984830
K       10.63499997      10.27960004      10.40709998      -1.11276442       0.18032506      -0.53804265
K        0.34561106       0.21025122       4.24601997      -0.05004995       0.08766081      -0.00267172
K        8.77755000       5.11513994       4.18922995       0.12824836       0.10613061      -0.45600131
K        4.62356996      12.23770004       5.47006996       0.53838703       0.19083904       0.08503915
K        9.11740000       2.38635004       8.22093002      -0.14560550      -0.41055095       0.45511599
K        1.05391004       1.28994003       8.28153996       0.08524631      -0.13554104       0.26378717
K        7.56028005       0.65615003       4.13876000       0.36460997       0.07668889       0.30759548
K        4.24485998       0.29165597       9.93499004       0.34399356       0.35904168       0.34842802
K        5.13313000       4.19222995       5.05006001      -0.60872744       0.16474929      -0.15691647
K        1.46462005       8.97292002       5.40727994       0.20073676       0.28568425      -0.30315628
K        6.69020001       8.62837998       8.74695994       0.15636248       0.26144291       0.05619420
K       10.54929998       5.70234004       9.90557004       0.27859329      -0.37929174       0.33109078
K        3.63844000       5.01803002       9.36454994      -0.16665887      -0.37096487       0.05193832
K        9.59512004       9.17589994       5.61451006      -0.10137052       0.47129381      -0.26223664
Li       0.41554904       0.98874603       0.19772498       0.23360842       0.80709725      -0.06083185
Li       3.92718998       3.51965006       1.28644999       0.40970117       0.00858405       0.21106342
Li       9.80324997       3.05660001      11.80781579       0.49906758      -0.19079989       0.57873594
Li      11.85929994       6.67706996       0.59285500      -0.21112440      -0.05242367       0.59035050
Li       2.67018000       6.48028002       0.71865803       0.47689210      -0.13986971       0.12342449
Li       6.50740004       0.67668000       1.26234997       0.34122771      -0.20169202      -0.27154580
Li       8.87957995       6.61184005       0.89623901       0.07909392       0.13667176      -0.64136459
Li       7.21373003       3.71441002       0.43379805      -0.86031126      -0.22660595       0.62754394
Li       0.01889994       9.39505998       1.92706003       0.00473127       0.21988566      -0.63367607
Li       8.94975001       9.45317997       1.45219996      -0.56838121       0.56213716       0.32389416
Li       2.44699005      10.01059999       0.12909401       0.01057177      -0.21356349       0.22916807
Li       9.81510000       0.61876803       1.34702005       0.50207209      -0.95127325      -0.11824511
Li       0.74145803       3.83052002       1.33060994       0.08874042      -0.31076673      -0.02224576
Li       3.32412995       0.22355603       1.88576999       0.46502518       0.61748732       0.17317344
Li       6.03787996       6.61567998       0.84030500      -0.20992105       0.14941631       0.63703570
Li       5.57353002       9.36373996       0.26889905       0.82269832       0.09852355       0.15001291
64
Lattice="11.25829669 0.0 0.0 0.0 11.25829669 0.0 0.0 0.0 11.25829669" Properties=species:S:1:pos:R:3:forces:R:3 energy=-540.56793435 stress="-0.046897039342942336 0.002202443927959731 -0.002253515107589816 0.002202443927959731 -0.05845736635030544 0.0005911134937964013 -0.002253515107589816 0.0005911134937964013 -0.03881445098665118" free_energy=-540.56793435 pbc="T T T" config_type=wetmd 
Cl       7.35713004       9.95750003      10.93919997       0.76982463      -1.25472251      -2.03294203
Cl       0.75530325       4.35363996      11.24549995      -0.94743867      -1.21843574      -0.78784330
Cl      10.52269996       4.58467000       7.26859997      -0.85271455      -0.80076029      -0.72407076
Cl       5.74175000       7.04504994       0.42870333       0.75454826      -0.53486323      -0.06058491
Cl       8.30121995       1.49091000       2.41629999      -0.81021496       0.28179319       0.41067810
Cl       8.44440004       0.26120329       6.82972995       0.65873846      -0.13347714      -0.51647645
Cl       1.87205997       9.54518000       2.63059998       0.59605287      -0.83736247       1.52138395
Cl       2.84144998       6.96159005       8.42458004      -0.00551781      -0.53916111      -1.36999662
Cl       5.68183999       3.10761998       3.17988001       0.42208198       0.39673934       1.48073720
Cl       0.10360335       7.06075999       2.38116003      -0.24212859      -0.05177203       0.72078739
Cl       7.91846004       4.27770005       0.60630330       0.75999535      -0.23489200       0.10051803
Cl       2.56680000       1.47333996      11.07219997      -0.35432034       1.41685282      -0.70870050
Cl      10.42379999       4.22253000       2.96614000      -0.28140662      -0.37065230       1.23449957
Cl       4.78664002       4.07189996       0.36820327       0.10693317      -0.02790254      -1.18685569
Cl       0.09900332       1.28748001       2.13859001       0.85802765      -0.46300933       0.14925047
Cl       8.93576998       9.93659000       2.61453000      -0.04780211      -1.17486693       1.28679009
Cl       3.16427995       9.75837994      11.14480000       0.78040558      -1.19363057      -1.24527580
Cl       4.57784004       6.26569998       3.37382004      -0.03310113       0.79302654       1.38998700
Cl       4.88631996      10.36600001       7.12550004      -0.66520405      -0.36668797      -0.15805652
Cl      11.20120001       8.27856995       5.43517003       0.21210798       0.48711793       0.92705853
Cl       9.25141997       1.35046005      10.81059994      -0.23225424       0.63288171      -1.22779613
Cl       0.08060332       9.85798997      11.17340001      -1.01018312       0.97671680      -1.17459144
Cl       2.65752003       3.76529995       2.70090005      -0.50702364       1.15482975       1.12592963
Cl       3.36969995       0.79316096       2.92053996      -0.36768289       0.44681484       1.68026894
Cl       9.56553995       7.21169998      10.97110002      -0.62330029      -0.13428211      -1.12650699
Cl       5.46546003       0.73782497       0.55430325       0.30029966       1.56265360      -0.88381579
Cl       1.61510995       1.18183001       6.45292005       0.43721883       0.54746482       1.06371495
Cl       6.21958003       3.38344003       7.93924004      -0.52839099       0.00440605      -0.65765582
Cl       8.12116005       6.74008002       2.66516003      -1.08681175       0.05014342       0.09836235
Cl       5.52782998       9.39555003       2.48534003       0.08629625       0.60869293       1.52700355
Cl       2.52435003       6.78538003       0.33853698      -0.29089907       0.00485990      -0.19994097
Cl       7.38269999       7.22298000       7.13835004      -0.25907306      -0.13676570       0.37930235
K        5.15464998       8.23151004       9.40636002       0.21460007       0.70435988      -0.45369801
K        0.84457096       3.61388003       5.16216996       0.38057893       0.18459872      -0.71199151
K       10.59969996       1.84956995       8.50225001       0.19175738       0.06631389      -0.12059902
K        0.40800326      11.09059997       4.48016002      -0.83924335      -0.78549041      -0.53556777
K        9.24738004       6.34255002       5.07845000       0.43838017      -0.55811057       0.08033627
K        4.46034002       1.50980998       5.52984004       0.02407847       0.19107792      -0.51787772
K        6.55200995       0.61854197       8.80919002       0.21664416       0.30553532       1.45259522
K        7.99378998       5.34102005       9.34073001      -0.22084903      -0.02264321      -0.16736158
K        7.87363998       2.40981004       4.94683995       0.26101204       0.55036759       0.28235328
K        2.70141996      11.22300002       8.84968994      -0.29441802      -0.66347325      -0.29761232
K        4.90973001       5.51049997       6.25854004       0.20492872       0.09128820      -0.12415726
K        2.87183995       8.36039998       5.43472004      -0.06752188       0.06210894      -0.36731956
K        9.82445995       9.17014002       7.95538996      -0.05259709      -0.12678427       0.65780947
K        0.10050326       6.07887001       9.23418002       1.10548441       1.25002819       0.45329440
K        3.30111002       3.79330001       9.22694004      -0.15331870       0.29240061       0.32219000
K        6.78225000       9.31053999       5.37595004       0.51995399       0.21693410      -1.26503887
Li       1.73674999      11.14430002       1.13229002      -0.70325768       0.00155813      -0.07356136
Li       6.55963002       2.61360997       1.17009999       0.54006407      -0.21618444      -0.10045816
Li       1.54143003       2.71577001       1.27774001      -0.53212691      -0.29465042      -0.32582058
Li       1.28618001       5.34349001       1.81101996      -0.02345838       0.23672997       0.31467554
Li       9.55145999       8.09500004       1.64592999       0.72148182       0.24324143       0.32130264
Li       9.68907995      11.24449999       1.14469002       0.73822674      -0.00690980      -0.46134812
Li       7.26513996       8.64195005       1.41873002      -0.19713444      -1.09309574      -0.06839044
Li       9.82481999       5.56314996       1.35618005      -0.39711092       0.22130275      -0.25888909
Li       4.07277000       8.01401000       1.54553998      -0.38014228       0.33702013      -0.01038838
Li       1.11494999       8.42012997       1.00204999       0.38723387      -0.62092535      -0.18883845
Li       3.76677997       5.62468995       1.52198999       0.16960754      -0.89105653      -0.08811981
Li       9.91136995       2.69240994       1.44280003      -0.72953892       0.36213262      -0.69224383
Li       4.14794998       2.40410996       1.61686005      -0.11939109      -0.41984606       0.06777282
Li       4.03781997      10.72850005       1.47163005       0.67821749      -0.33780177       0.54819472
Li       6.22440005       5.29483998       1.82708994       0.50629103       0.08956927       0.25455525
Li       7.14628995      10.97259996       1.46147000      -0.18549493       0.73865445       1.03903984
64
Lattice="11.49615927 0.0 0.0 0.0 11.49615927 0.0 0.0 0.0 11.49615927" Properties=species:S:1:pos:R:3:forces:R:3 energy=-546.48131511 stress="-0.029864808691383946 -0.00013694475200271255 -0.00076417536250695 -0.00013694475200271255 -0.027341844876082717 0.0018627319368259255 -0.00076417536250695 0.0018627319368259255 -0.026005608507254037" free_energy=-546.48131511 pbc="T T T" config_type=wetmd 
Cl       6.49354004       1.60038999      10.15390002       0.35167767       0.88136785       0.81581932
Cl       9.77403001       5.76714004       3.00917004       0.91213443      -0.54660166      -0.79319559
Cl       0.49747698       3.76223998      11.46940000       0.01888790       0.63033479       0.50400815
Cl       7.32611005       9.58222004      10.69289997      -0.16804063       0.51195991      -1.39214629
Cl       8.53977005       2.39945997       1.38689999      -0.33209653      -0.59535447       0.08631214
Cl       8.21723001      10.08709997       5.91072005       0.08892299       0.11126421      -0.21064806
Cl       2.76695999       9.70451998       2.95470998       0.19000241      -0.06452106      -0.39411992
Cl       5.14869001       6.00613001       9.11491002      -0.26361528       0.47559567      -1.38778166
Cl       7.72097002       8.57546999       2.13878996       0.21776678       0.63424677      -0.48126079
Cl       0.95325198       7.63964998       5.65324000       0.29252782       0.25083494       0.36416447
Cl       5.45957995       3.24210005       7.10669999       0.36088992      -1.28879645       0.55123938
Cl       2.54175000       1.23832995       0.00794074      -0.47250036      -0.14544020       0.44378914
Cl       8.69534999       2.92527004       5.09219995       0.34333378       0.63869051       0.92779401
Cl       7.37611996       5.47536004      11.45780004       0.86846026       0.01315617       0.24083095
Cl       0.35064068       2.28421005       3.11202997       0.50093119       0.01495051      -0.40562626
Cl      11.14829998      10.16570002       2.59581000      -0.43252263       1.00649324       0.64978111
Cl       4.78357004       7.27014997       0.95146100      -0.33842279       0.95346453      -0.72702174
Cl       5.35826005       7.73891000       5.58832004      -0.14893086      -1.45194810       0.36524866
Cl       4.28527005      10.42290003       7.40832001       1.05990895      -1.11434558      -0.09713150
Cl       9.81271999       6.28447997       6.61170998      -0.02687102       0.16281902       0.21687266
Cl      10.20520002      11.43630003      11.26640002      -0.04567572       0.14590120      -0.09582956
Cl       2.29433001       9.08764998      10.51700000      -0.28775290       0.05076275      -0.18476418
Cl       2.44007004       5.75704997       3.18019001      -0.06845887      -0.54966295      -0.09388162
Cl       3.59330001       1.84751005       3.67456004      -0.09018644      -0.31746676      -0.24150850
Cl       9.91469001       7.37290000      10.62790000       0.38177679       0.59429808      -0.23075953
Cl       4.70689997       3.89014004       0.94491198      -0.44708941       0.30661646      -0.08059318
Cl      11.36430005      11.42710000       7.24860996       0.26706089      -0.04946927      -0.10448823
Cl       1.86279005       3.45702994       7.39457003      -0.53731679       0.31924688      -0.05051160
Cl       9.34757998       3.34636998       9.29249004      -0.58200045       0.05679530      -0.14177932
Cl       5.59187005      11.33179995       1.51926998       0.12166192       0.21048071       0.18418169
Cl       0.48149502       7.52131001       1.47589003       0.10647171      -0.29606092      -0.35663752
Cl       6.50160999       5.23530000       3.35788005      -0.39686914      -0.32340715       0.16966027
K        6.84724996       8.59492000       7.95449000      -0.36448981      -0.30203170       0.07622440
K        0.08734069       1.71844002       9.35519998       0.51326157      -0.24432885       0.22594211
K        4.52323997      11.35749995       9.91798998      -0.71099518      -0.99611933       0.93160657
K       10.27059994       0.75709796       4.75835999      -0.20793294      -1.21826274       0.01452477
K        8.05350999       7.27610004       4.39033000      -0.45871084       0.12681189       2.11122802
K        2.69564000       0.75036501       6.52158997      -0.98667619       1.01445124      -0.86566253
K        7.72325005       0.88345995       7.82216001       0.46302168       0.31529164      -0.74434423
K        7.63128997       5.03190995       7.54823999      -0.73100899      -0.58531420       0.15346795
K        6.51754999       2.42745001       3.62058005      -0.63848043      -0.71130526      -0.17715620
K        3.06996001       7.61456996       7.82787004      -0.02417184       0.28466762      -0.28595866
K        3.99500996       4.27215994       5.16496995      -0.43068719       0.91724821      -0.23663563
K        0.11304070       4.45608998       5.12963995      -0.16770967       0.36793738      -0.08429602
K       10.48549995       8.77460003       7.81825994       0.18395623       0.32080113      -0.05420462
K       11.24980003       5.49919997       9.16960001       0.56837552      -0.42501825      -0.73794215
K        3.57530001       3.42076002       9.64414997       0.48948359       0.03170010       0.04356155
K        5.08455995      10.14099995       4.49037004       0.44217619       0.92876215      -0.37757948
Li       2.01304003       3.27879004       1.89038003       0.23707744       0.37622742       0.03225208
Li       4.58158999       6.13888996       2.65975003      -0.01721872      -0.58225635       0.75386545
Li       7.68305005       0.13784067       0.38254068       0.13379070       0.17343884      -0.17742052
Li       9.92173002       8.45287001       2.64196995      -0.05457415      -0.73767448      -0.29557289
Li       2.66949004       8.09933000       1.07760996      -0.04805887       0.26216914      -0.02190660
Li       1.46697005      11.34830004       1.97395998       0.38813333       0.26725851      -0.05405176
Li      11.17300005       9.33788999       0.18084068       0.19335930      -0.00286226      -0.20119169
Li       8.25643996       4.41225996       2.01677996      -0.41225796       1.10487464       0.39738157
Li       1.15306995       8.24312005       3.54275002       0.24035441      -0.06062865       0.19958298
Li       4.25155997       1.89912999       1.34850006       0.14751366      -1.28560616       0.28489517
Li       5.22724005       5.59903998      11.08010005       0.12022397      -0.11700535       1.16181478
Li      10.70170005       2.20209000       1.24133999       0.19035660      -0.33015340      -0.51654277
Li      10.90670003       5.59633999       1.00669004       0.01577550       0.14242951       0.05297651
Li       7.72765998       3.37508003      10.98640002       0.06114453      -0.45963366      -0.58817034
Li       7.99771005       7.66504005       0.03814069      -0.11150303      -0.36474236       0.32145275
Li       5.98870000       9.09036998       0.79588301      -0.46759401       0.56266865       0.60784253
64
Lattice="11.25228793 0.0 0.0 0.0 11.25228793 0.0 0.0 0.0 11.25228793" Properties=species:S:1:pos:R:3:forces:R:3 energy=-543.33139707 stress="-0.041334648228066324 0.006025411845779943 -0.004569613196792443 0.006025411845779943 -0.04251878586019123 0.002269179491699646 -0.004569613196792443 0.002269179491699646 -0.043701866873477734" free_energy=-543.33139707 pbc="T T T" config_type=wetmd 
Cl       6.47679004       4.12130000       2.32434000      -0.14466970       0.05696849       0.27654247
Cl       0.73201602       5.33322002       2.65155000      -0.37067985      -0.45788156       0.27829371
Cl       2.66166997       2.70032001       0.94659501       0.08781516      -0.53431659       0.37031732
Cl       5.41883001      10.09370004      10.21190004       0.42578388       0.58050789      -0.80946064
Cl       9.66399002       2.49041004       1.28121003      -0.56482302      -0.06273511      -0.35821886
Cl       7.51260005       0.29931210       6.04962000       1.98420981      -1.89655310      -0.00539290
Cl       0.61578798       8.69990997       4.30325006       0.87355951      -0.19309996      -0.30987386
Cl       5.05702001       6.82373003       8.03521999       0.22246768       0.01114277      -0.05383257
Cl       9.80235997      10.19610003       2.40172997      -0.61172607       1.00605059       0.51759486
Cl      10.58440005       8.68809000       7.24255999      -0.30472408      -0.20484946       0.57680142
Cl       5.88170998       3.22551998       7.18765997      -0.44887647       0.55342042       0.33116087
Cl       5.45915000       2.46864001      10.52030004       0.76732690      -0.13363782      -0.25221283
Cl       8.79311998       3.76007995       4.82428995       0.67501426      -0.20496690      -0.48769581
Cl       8.75958996       5.67614002      11.03639996       0.68565090       0.50185895       1.91362149
Cl       0.65962195       1.62626999       3.39155998      -0.16876517       0.09124448       0.52176795
Cl       0.96148201      11.10140004      11.06030004      -0.71882267       1.07175163       0.59173617
Cl       6.25655002       8.44505003       2.21482001       0.84630136      -1.06166818       0.63395869
Cl       8.57298000       7.07554003       3.71700000      -1.22511726       0.56790363      -0.93774038
Cl       4.45288996      10.48619999       6.87738004      -0.71417707      -0.22964235       0.40388375
Cl       8.57752997       5.90445997       7.13172001       1.03202403      -0.00484383      -0.34749967
Cl       9.00673004       1.82531003       9.40921999      -0.38118067       2.35158105       0.66788226
Cl       2.30016997       8.62720995       9.40623003      -0.30071256      -0.11637080       0.34351212
Cl       3.95930002       6.82576996       4.56196997       0.20274457       1.08983612      -0.75422466
Cl       3.23042002       9.40382002       1.77764995      -0.96934674       0.07111188       0.64860103
Cl       8.41369002       8.81243003      11.02509996       0.26379561       1.40556252       0.58494874
Cl       3.99781998       5.88422003       0.73704995      -0.02183513      -0.12302764      -0.51819745
Cl       0.85638800       1.38043001       7.51182004       0.31548109      -0.85419844      -0.11362599
Cl       1.48325004       5.13406003       7.17163997      -0.30142067      -0.22871733       0.18264646
Cl       0.80818298       4.10850997      10.21719998      -0.42123221       0.10098500       0.21986576
Cl       5.94647995       0.40241209       1.85718000       0.30844892       0.30064488       0.59355010
Cl      11.20939995       7.63622995       0.72676997       1.15523603      -0.28410586      -0.02024751
Cl       3.81275000       2.08570001       4.39281005      -0.49735118      -0.44497329      -0.57286860
K        7.73884001       7.95384997       8.61938994      -0.49284276       0.72435505      -0.22340712
K        2.97251004       0.57715404       9.17514000       0.77391346      -0.10778142       0.21538973
K        2.02867004      11.19080003       5.14090998       0.56699286      -0.22542535       0.40709542
K       10.08890004      10.57000005       5.31350995      -0.28422029       0.88562930      -0.35228829
K       10.55690002       6.28054001       5.03924004       1.15641883      -0.61536892       1.40566623
K        2.16484995       7.77176005       6.69116998       0.46920005       0.73664721      -0.09874264
K        6.62393002       0.94368798       8.39959000      -0.86740350      -0.91633356       1.13707879
K        6.21315996       5.52747997       5.66395998       0.39667593       0.05877215      -0.80638057
K        6.44404003       2.19581996       4.84147005      -0.09243071       0.82649960      -2.21307179
K       11.09280003       6.57941001       9.19875000      -0.16328935       0.39084836       0.04751360
K        2.50256003       4.57674997       4.70080003       0.10045100      -1.34218324      -0.40966069
K       10.36689997       3.35430006       7.21854997      -0.61247396       0.61679226       0.04381324
K       10.15980003      10.92670005       9.09613003       0.88849138      -2.86032661      -0.55556217
K        7.56439996       4.51364005       9.15418002      -1.46503489      -1.52056565      -0.25596306
K        3.93600002       4.25254995       8.82775002      -1.09497925       0.41351562       0.50767739
K        6.22890000       9.23386996       5.14149003       0.00725230      -0.66720182      -0.61653047
Li       4.73880002       3.40045998       0.99731897      -0.51264951       0.98878342       0.58973657
Li       4.34489995       7.37555000       2.24733001       0.04976976       0.09035459       0.55918985
Li       8.03314000      10.86260004       1.17341998      -0.07736344      -0.78471530      -0.26131917
Li       9.43736995       8.23096997       1.81602003      -0.62874210      -0.59893421      -0.13346585
Li       1.92546000       5.14049994       0.78804600       0.27956111      -0.58754588      -0.42311222
Li      10.94280005       0.57791211       1.71022995       0.55085438       0.31519192      -0.15813002
Li       1.54826002       9.07596998       0.32681213       0.27389201      -0.07231939      -0.61487620
Li      10.49240000       4.74241999       1.03754005      -0.33593213       0.04578888      -0.78185807
Li       1.44623001       7.63688000       2.61141996       0.00609930       0.01108616      -0.19064370
Li       3.63058997       0.89303401       2.15741996      -0.26914388       0.35165669       0.21429121
Li       7.41902996       6.19138003       1.99177998      -0.13363555       0.08702450      -0.39674135
Li       0.04571208       1.97767996      10.52610004      -0.08291230       0.41662465       0.08253084
Li      10.30470002       3.17859997       3.31356002       0.06600148      -0.16648447       0.25385248
Li       7.01111000       2.25286996       1.28465999       0.44858275       0.39436473      -0.52797919
Li       4.44993994       8.75230996       8.91799000      -0.35979351      -0.08968705      -0.46304048
Li       5.22363995       9.64112998       0.94610598      -0.24170865       0.47595567      -0.09665577
64
Lattice="12.37024713 0.0 0.0 0.0 12.37024713 0.0 0.0 0.0 12.37024713" Properties=species:S:1:pos:R:3:forces:R:3 energy=-548.04428179 stress="-0.002195147135678389 -0.001352250277449561 -0.0007655619512083197 -0.001352250277449561 -0.000483998755151477 0.0005931238526783027 -0.0007655619512083197 0.0005931238526783027 9.711775716856098e-06" free_energy=-548.04428179 pbc="T T T" config_type=wetmd 
Cl       6.45669997       8.24098998       4.31933997      -0.57114806       0.54902331      -0.11308982
Cl      11.05379999       3.19724995       2.93550999       0.22967505      -0.07258854       0.67379394
Cl       4.91842003       1.75101999       1.08002995      -0.60332215      -0.13680638      -0.40188130
Cl       1.61866997       9.55245996       7.65373996      -0.34885246       0.29432468       0.01479762
Cl      10.59659998       4.86578005       0.04245456       0.13909555       0.16541661      -0.00621503
Cl       4.43128997       9.12771998       9.72104997       0.14965878       0.06138909      -0.21215117
Cl       0.93069298       7.71533996       2.50073997       0.15886134      -0.53182871       0.11361316
Cl       1.02712995       8.13852995      11.47380006      -0.91726891       0.03269902      -0.50015487
Cl       1.12055005       1.83588000       1.62855998      -0.25952990      -0.59535116      -0.94109564
Cl      10.10339996       8.61490000       5.69960002       0.05470646       0.26874844       0.31992966
Cl       7.94547999       1.16046995       8.09842004       0.51088651       0.24193597      -0.26896981
Cl       7.57660999       3.11373000       0.18955288       0.51699157       0.45420602      -0.41066736
Cl       4.45433994       5.51177996       2.03743995      -0.08098889       0.60181720       0.56289770
Cl       7.60934995       6.15532005      10.49289995       0.02111715       0.12961250       0.12677622
Cl       7.76624006       1.48924997       3.35681005       0.18163552      -0.05966315       0.80196128
Cl       3.57640000       2.69360004       9.72571999       0.30148505      -0.17450076      -0.43297501
Cl       2.68331999      12.04100001      11.19929995      -0.26086992      -0.39837869      -0.17199222
Cl       8.03236997       5.01223005       2.83298996      -0.34681864       1.11474420       0.60203954
Cl      12.20990003       0.47819701       5.91246006      -0.32269714      -0.22174299       0.09595569
Cl      10.42240006       4.98973005       6.84781997       0.19358607       1.07941714       0.46287303
Cl      11.87430005       1.65078004      10.92670003       0.22312968       0.40138959      -0.88665810
Cl      11.82969999      11.20969999       1.76386995       0.21729544      -0.36556321      -0.02404112
Cl       5.25335004      12.23517813       6.31884000      -0.43432920      -0.42246913       0.18565366
Cl       2.86442004      10.71239997       3.12111998       0.08998018       0.26619725       0.51548162
Cl       9.79533999       9.44958997      10.48630006       0.16089375       0.26768624      -0.89648719
Cl       3.76857006       8.54186000       0.52691204       0.59294435       0.69877133       0.15463246
Cl       2.59956995       2.49792004       4.45731004       0.30512898      -0.24537562       0.52949321
Cl       4.85942001       5.66002995       7.04752994      -0.13895627       0.31820658      -0.16886938
Cl       2.19396996       4.61075999      12.31199997      -0.69949162      -0.29873200      -0.35425550
Cl       9.03829002      12.35280001      12.33340000       0.23505163      -0.16825128      -0.20124650
Cl       9.49351004       8.12080004       1.13499999       0.12534924      -0.39955161       0.13143207
Cl       6.21584000      10.83010003       1.39806999      -0.17084232      -0.17403038      -0.21320582
K        7.74744001       6.74359000       6.34566995       0.21983151      -0.47006797       0.15465748
K        6.46023996       1.24187002      10.67340004      -0.33856973      -0.06281823       0.02694889
K        0.38712404       9.65726997       4.58331004      -0.18495534       0.53780215       0.26771875
K        7.80669003      10.89899995       5.69501004       0.09686667      -0.00917556      -0.45785739
K        5.35190998       2.77110001       6.82679006      -0.00145359      -0.04106491       0.08088660
K       10.83900005       6.30414996       3.30260994      -0.46963540      -0.11245848       0.25896612
K        6.94303995       9.20805001      11.40319997       0.10649412      -0.35647214      -0.00728143
K        5.02672006       0.15636697       3.39443997       0.13370426       0.00500716       0.96749483
K        9.88476005       2.60678997       5.78740998      -0.31915494      -1.00535465      -0.84681943
K       11.48519999       8.09738997       8.59280996       0.16773044      -0.44639535      -0.18802367
K        2.24728003       5.43545999       4.71148002       0.36100119      -0.03065875      -0.23626020
K        2.37299997       0.50359004       7.60710994       0.19655211      -0.02481554       0.13418109
K       10.40879996      11.82450003       8.34291995       0.17604595       0.02839652       0.45104011
K        9.75881003       4.02199003       9.63593995      -0.25823925      -0.18195339       0.28151966
K        4.52285998       5.82186000      10.16499996      -0.15638345      -0.07005792       0.12594458
K        4.48970994       8.89731002       6.76525006      -0.09128319       0.06581528      -0.07533384
Li       9.11987996       3.45618000       1.91368997       0.03687713      -0.95025742      -0.32682367
Li       1.72868996       9.88153995       1.52720003      -0.57653601      -0.51313319      -0.63057821
Li       2.32313996       1.93562997      11.76379997       0.28227273       0.29082257      -0.29906151
Li      10.34929994      10.10209997       0.16858198      -0.11209202       0.35941699       0.47109980
Li       2.44024995       6.79345001       0.69541200      -0.28592965      -0.39462868       0.07361728
Li       0.48201596       1.07188006       3.76613003       0.00645709       0.32494226      -0.16030314
Li       4.15500000      11.34230000       0.32482797       0.24397011      -0.32407726       0.40454174
Li       8.46192000       5.92834000       0.71424706       0.02806124       0.11349034      -0.53749909
Li      11.35569995       6.97027997       0.06251651       0.28324955       0.61889971      -0.08237093
Li       6.20273001       4.22668002       1.62708001      -0.09304731      -0.43871569       0.08162924
Li       4.88027996       8.01492001       2.40147999       0.35486607      -0.19957358       0.31706155
Li      11.37500001       0.71059301       0.41176805      -0.36347936      -0.60859223       0.69716329
Li       3.10028997       2.09848996       2.29472006       0.30713564       0.66122835       0.09326441
Li      12.36329579       3.25227998       0.12143402       0.24079339       0.75868424       0.23855544
Li       2.12006998       9.91946997      10.14080004       0.47264466      -0.40425719       0.00941686
Li       7.42247003       0.36550505       1.51631001       0.28384858       0.19927102      -0.37487020
64
Lattice="12.9072679 0.0 0.0 0.0 12.9072679 0.0 0.0 0.0 12.9072679" Properties=species:S:1:pos:R:3:forces:R:3 energy=-545.40152171 stress="-0.0034478418722910377 0.0017148976051267568 0.00015535985656544665 0.0017148976051267568 -0.005906600912248189 -0.0013072087638841172 0.00015535985656544665 -0.0013072087638841172 -0.0028218419812807696" free_energy=-545.40152171 pbc="T T T" config_type=wetmd 
Cl       5.64776003      10.03210002       4.73987997      -0.04194996       0.33228980       0.19356242
Cl      10.16430000       2.38210005       2.88127005      -0.24646612       0.50130795       0.53698951
Cl       3.56853999       1.02734005      11.98470002       0.10826086      -0.36314638       0.98608565
Cl       0.66175304       7.25218003       7.14805994      -0.33950812      -0.03377317      -0.49123129
Cl      12.30009995       8.39009006       1.65232003      -0.92941783       0.25050202      -0.31429418
Cl       4.71595997       9.87205002       9.21479000      -0.63342870      -0.26120606       0.72208013
Cl       2.31948006       9.80092995       2.69585999       0.04712211      -0.22321678       0.47982573
Cl       2.65112998       7.17680997      12.55580003       0.49136629       0.07939287      -1.18270217
Cl       0.21639796       2.78153998       1.08025998       0.03304202      -0.05243201       0.30568142
Cl       9.69012996       8.95205998       5.96838005       0.03138741       0.04909039       0.13241061
Cl       7.28525993       1.13013005       6.60501000      -0.05944958       0.34884448       0.12761411
Cl      10.41790006       5.00036994      12.51051888      -0.18955205       0.25801245       0.42218801
Cl       3.41298005       4.03802999       0.59012506      -0.17032294      -0.47060789       0.07604011
Cl       7.05627997       4.05267999       1.08389002      -0.29893786       0.64116832       0.71627731
Cl      10.23959997       1.38883997      12.45030002      -0.04301486      -0.30059717      -0.25821334
Cl       0.45502701       4.84626994      11.18479997       0.18511086      -0.32368790      -0.72576065
Cl       1.83452999      10.42449993      12.01780006       0.30557328      -0.08130903      -0.94573175
Cl       6.91707999       0.89448606       1.00552999       0.03238216      -0.56685598       0.24585657
Cl       8.79678000      11.68219999       9.36266999      -0.09841740      -0.22845673      -0.23853221
Cl      11.04379994       3.64091995       7.45189999       0.12722300       0.15581091      -0.54347246
Cl       0.29070497       0.97172805      10.52250004      -0.39086225       0.14589548      -0.30086357
Cl       0.39989904      12.42262090       1.09145006      -0.34508404       0.17342754       0.88267245
Cl       3.12038997       2.75156001       9.17605994       0.09440249       0.07411600      -0.52145930
Cl       4.92208000      10.18019994       0.48618503      -0.81347454      -0.27760275       0.30635056
Cl       9.47487997      11.79499996       2.05646995       0.61930125       0.18018631       0.01882792
Cl       4.60141997       7.00805002       2.83734004       0.25822891       0.06819843      -0.04989761
Cl       4.05017998       4.94690003       6.01990999      -0.04064839      -0.62214728       0.89264308
Cl       3.48527004       0.19244504       2.74115998       0.15093498       0.58039754       0.11025288
Cl       0.72363900       5.75217002       2.63912003       0.02257200      -0.20732434       0.83743804
Cl      11.31320005      10.50520005      12.13079996      -1.11810194      -0.19623136      -1.16694499
Cl       9.58993006       6.09123001       3.35049997       0.74300731      -0.45302232      -0.03078134
Cl       8.45467002       8.42516001       0.87870499       0.02776881       0.08257208      -0.15221406
K        4.41412002       3.98369000       3.47655996       0.08499832       0.15000840      -1.25538831
K        2.71118001      12.43849994       9.70174004      -0.06364455      -0.19485131       0.33811195
K       11.05749997      10.10580000       8.15456004      -0.02367774       0.21387923       0.43115494
K        7.50007004       7.81048997       4.40489997      -0.11391795      -0.07867475      -0.59617778
K        4.39510000       1.80846996       6.83713005       0.20957980       0.26521634      -0.23210615
K       12.19509997       7.69605994       4.43562998      -0.33971260       0.02927297       0.06492906
K        6.44811003      11.05339998       7.39308996       0.69827400       0.09852309      -0.03890851
K        7.06438005      10.93959996      12.12030003       1.56060657       0.75468262      -0.47896232
K        8.91325002       3.62735002       5.22145995       0.05906400       0.19481025      -0.24300147
K        1.38385996       7.26839001       9.77300004       0.59674721       0.28040998       1.26474483
K        3.28035994       7.57247001       5.36935994      -0.15226319       0.67185315      -0.14979044
K        1.18014003       4.08341994       7.37878006      -0.03037776       0.14745377      -0.00362798
K        9.67893006       1.46722994       8.56711001      -0.16451752      -0.55867515       0.70327791
K       10.88010003       5.64570997       9.39798995       0.01357661       0.21043116       0.69425888
K        5.62327998       5.69636002      12.34490004      -0.38607915       0.40650451       0.13599079
K        8.02518004      12.66580002       4.17301006      -0.40054007      -0.05445628      -0.36842539
Li       8.67564000       2.72343998       0.79117499       0.26832996      -0.67348877       0.02840884
Li      11.07189997       0.70501304       1.82105997       0.08314729      -0.39026364      -0.54302883
Li       2.38351004       2.88638004      11.30160003      -0.22757231       0.05161960       0.44170751
Li       0.01430835      10.20930003       0.52751797       0.85414503      -0.27103478       0.36147691
Li       2.62760003       7.70927995       1.70058004      -0.10420951       0.05174106       0.64919745
Li      11.34709996       4.64829994       2.23278994      -0.03613054      -0.30541002       0.00057040
Li       2.64139997      11.52299995       1.10474003       0.23341141      -0.48073005      -0.14049740
Li       0.99428699       4.92044000       0.63733804       0.68948861      -0.11148470      -0.47698265
Li      10.35249997       7.11679995       1.04609005      -0.25155986      -0.13978872       0.01176897
Li       4.80537003       1.47363994       1.28873004       0.09510356      -0.02429048      -0.79954850
Li       4.71038996       9.88014004       2.65779994      -0.30799481      -0.29240011       0.23725093
Li      12.11509995      12.58489998      12.11109999      -0.19485473       0.46013423      -0.45209088
Li       1.98699000       1.10222001       1.21646999      -0.13469783       0.70075902      -0.33315352
Li      11.78059997       2.99567995      12.20009999       0.17251189       0.19104075      -0.24222062
Li       3.83532005       9.27804000      11.59080002      -0.38582734       0.03139903       0.21549202
Li      10.14769996       9.98472002       1.18970006       0.17954607      -0.59378584      -0.29512821
64
Lattice="12.40692598 0.0 0.0 0.0 12.40692598 0.0 0.0 0.0 12.40692598" Properties=species:S:1:pos:R:3:forces:R:3 energy=-548.54024817 stress="-0.0007118875567105018 0.0032995635695647276 -0.0017499582028603273 0.0032995635695647276 0.001652647501920158 -0.00043614996681893913 -0.0017499582028603273 -0.00043614996681893913 0.001221932091995235" free_energy=-548.54024817 pbc="T T T" config_type=wetmd 
Cl       5.55484999       9.68493997       3.23784999       0.38128108      -0.32965788       0.55088100
Cl       0.62039196      12.36899999       8.74427004      -0.08603818      -0.42720798      -0.36246269
Cl       3.48212003       2.52443003      10.21419995      -0.13570478       0.22946364      -0.24374954
Cl      10.40209999       9.45045999       7.50275003       0.10702842       0.15715906      -0.05683278
Cl       1.75978002      10.17040003       4.22546003       0.62226268      -0.81989233       0.67311756
Cl       6.84959001      12.15080001       6.80921006       0.11593713      -0.40231540       0.05501120
Cl       3.17016003       8.27797000       0.78825295      -0.40734313       0.07912991       0.21892278
Cl       2.68922999       8.01919006       9.51970999      -0.20766400       0.12096780      -0.08405944
Cl       0.87703096       4.22879005       2.90302998       0.07878920       0.39776465      -0.35551097
Cl      10.33439999      10.76029998       3.02138995       0.15869180       0.16560150       0.45893081
Cl       4.75030997       2.35957995       5.60523998       0.04395991       0.46859895      -0.03460469
Cl       8.22836996       2.39113995       3.43775001      -0.22260857       0.39026998      -0.49585770
Cl       0.48686105       5.55050000      11.91750005       0.04691373       0.01150248      -0.12505277
Cl       6.34222999       4.30574004       9.84629998      -0.39528081       1.11205102      -0.17435837
Cl      10.59690002       2.81181005       0.90744406      -0.63178655      -0.02067178       0.06280678
Cl      11.58040002       7.19271000       2.43297995      -0.50475296       0.30444392      -1.36282481
Cl       0.67872399      10.87390003       0.07032010       0.34380848      -0.56488789      -0.18505489
Cl       6.69779003       1.73177002      12.31054352       0.59331972       0.16061843       0.43178813
Cl       9.69565000      11.87240000      11.57800002       0.49547490       0.48709343      -0.05440557
Cl       9.05898003       3.06565005       9.84128994       1.18922555      -0.60929452      -0.48819908
Cl       0.78322194       1.74873996      11.73050000      -0.05587881       0.48763948       0.30219265
Cl       3.79313995       0.05987396       1.59712001      -0.89536988       0.04958677      -0.94222308
Cl       4.29351996      11.31639999      10.50370006      -0.50680246      -0.20952169       0.20640604
Cl       6.76609996       9.47385994      12.37851834      -0.02932551       0.05025372      -0.32933501
Cl       0.33351604       0.79521200       2.61816994       0.87740200      -0.02437028       0.72376440
Cl       6.19904004       7.88346002       8.05983006       0.62339382      -0.19996537       0.02428753
Cl       1.19026006       5.32215996       7.12962004       0.05853415      -0.63641934      -0.10261465
Cl       3.92775001       4.60465998       0.73399796       0.26888240      -0.39870788       0.00246990
Cl       3.76647995       6.73205002       4.46292996      -0.06635644      -0.13775770       0.06611360
Cl      10.83919996       8.65812999      10.97539997      -0.23597053      -0.31806862      -0.20854701
Cl      11.42530005       2.12464997       5.47441006      -0.51482251       0.04224509       0.54866778
Cl       8.53504001       5.61273996       1.10190004      -0.39368359       0.23718222       0.10072501
K        6.20379996       5.03009000       3.48224000      -0.22892762      -0.12619673      -0.17476943
K        4.06052000       9.00974997       6.72670996      -0.54872994       0.12912610      -0.18315982
K       11.86490001      11.42730004       5.60855995      -0.16184387       0.17079228       0.03452552
K        9.01379004       8.71696004       1.60025995      -0.14421729      -0.11695776      -0.26007729
K        1.82060001       2.69867997       5.07741994       0.24233328      -0.07046794       0.28489465
K        0.61017299       6.96316004       4.63778002       0.72907954      -0.06613663       0.87066904
K        7.81649004       9.54238997       5.61931998       0.09313650       0.02482428       0.10642161
K        7.39767006      11.19869995       9.91984998      -0.07103522      -0.15013358      -0.05900014
K        8.32600006       2.27887997       6.24203997      -0.00613797      -0.07251676       0.58627317
K       12.09519998       7.17516003       8.67465999       0.29088264       0.38213046       0.43249865
K        4.33535996       4.90408005       7.73088995      -0.09247411       0.20780988       0.08066920
K       11.88349998       2.75103001       8.69542000       0.06508385      -0.19633552       0.01960960
K        4.35181006       0.68246604       8.07360001      -0.17887442       0.07095816       0.07733379
K        9.08782005       5.83736996      10.48959996      -0.29672307       0.31613532       0.20324576
K        5.28083000       7.15508004      11.37650001      -0.06144257      -0.25871430      -0.44166342
K        5.75170002       0.13474803       3.47552004       0.73518422       0.52174486       0.54552010
Li       9.13673994       1.72280006      11.70880004      -0.18237420      -0.31685952      -0.24219167
Li      11.61639996       0.56423399       0.79708097      -0.41199363      -0.38152841      -0.96882192
Li       2.50702001       0.28344702      11.55429994       0.29809158       0.04498795       0.05314806
Li       0.99708298      10.82130000       2.35955998      -0.29173714       0.63013325      -0.54354951
Li      12.06520797       8.58333000       0.40615400       0.27507519      -0.02985257       0.16408977
Li      10.98999995       2.13127006       3.18019004      -0.41510812       0.08653228       0.14256281
Li       5.01547005      10.86250005       0.29840704      -0.03399334       0.13122190       0.30837703
Li       2.36975003       6.08510005       1.22759994      -0.41238684       0.10214409      -0.12683650
Li       1.76136004       3.78258004      11.17799999       0.32305190      -0.07551476       0.11512333
Li       5.32517000       3.32407006      11.50940002      -0.36426702      -0.20161406      -0.00675343
Li       3.57885001       8.59086001       3.10964997       0.08081497       0.30513684      -0.05211423
Li      11.35520005      10.75829998       9.37654002      -0.11357526       0.02527145       0.36771723
Li       1.74382000       2.60116005       1.51725998      -0.07353625      -0.46267425      -0.17845338
Li      11.56090005       4.88225999       1.41779998      -0.03370274       0.37114482      -0.10485646
Li       2.47164005       9.69106006      11.14460005       0.06411258      -0.20298084      -0.04708879
Li       8.01719999       3.44043003       1.12416005       0.21071810      -0.64444369       0.17626456
64
Lattice="12.0236877 0.0 0.0 0.0 12.0236877 0.0 0.0 0.0 12.0236877" Properties=species:S:1:pos:R:3:forces:R:3 energy=-547.02271182 stress="-0.011784310565318668 -0.0036013469583140736 0.002134714204163227 -0.0036013469583140736 -0.008135493977868436 0.0012276680576064488 0.002134714204163227 0.0012276680576064488 -0.011629388082505217" free_energy=-547.02271182 pbc="T T T" config_type=wetmd 
Cl       4.78743001      10.68960003       4.54428002       0.37881868      -0.33916716       0.54115619
Cl       1.16294995      11.42519999       7.03584001      -0.07208706       0.03427602      -0.33984255
Cl       5.09759005       0.49686098      11.40680002      -0.76895743      -0.18985590       0.60233785
Cl       8.34770995       6.04831999       3.00326000       0.37435645      -0.31432267       0.59666254
Cl      11.91630006       6.93863006       5.63764998       0.84118886       0.52361580      -1.37392404
Cl       9.12262003      10.46290001       5.64088002      -0.06335465      -0.53346870       0.18686161
Cl      11.78750003       3.39661001       2.11887004      -1.45304700      -0.35790076       0.67800030
Cl      11.62380005       5.69185997      10.99549996      -0.05580426      -0.01921772      -0.24450801
Cl       2.12278002      11.91889994       3.22075997      -0.32659581       0.49675313      -0.07485674
Cl       6.53940996       4.31616001       0.52739201       0.63968482      -0.04473776      -0.06474433
Cl       6.72206998       2.91431994       9.55551006      -0.54133533      -0.70803836      -0.91857302
Cl       5.35517003       1.75573002       2.55189004      -0.21179833      -0.29351458       0.39046253
Cl       9.39824996       8.10879999       0.38673903       0.04999359      -0.01617851      -0.08945078
Cl       1.29910006       1.09630001      11.43410004       0.15234565      -1.15673565       0.48180796
Cl      11.36319996       2.49121996       9.27022005       0.25721407      -0.16794990      -0.84650199
Cl      11.56689999      10.24259996       1.51811995       0.15609829       0.49798704      -0.00062644
Cl       1.22635999       6.92250004       1.54611999      -0.06495811       0.26211976       0.65837824
Cl       4.58561999       2.11711999       5.92487002      -0.37478115       0.13517834      -0.57840635
Cl       9.23794006       1.68427000       0.58976801       0.26547916      -0.26754932       0.27282603
Cl       3.00119998       2.03033998       8.93151998       0.12595206       0.18213979       0.27702780
Cl       1.40000994       8.94455005      10.54620000      -0.10263251       0.46919744      -0.23358356
Cl       4.54045998       9.49350005       1.25608003      -0.70994319      -0.87531718      -0.16418939
Cl       3.44556001       5.56557999      11.13169997      -0.41913910       0.30817545       0.45444782
Cl       7.76425004      11.10200002       1.80985994      -0.38414715      -0.01381374       0.53198704
Cl       4.74237004       6.35531997       3.39556997      -0.04661892       0.05264142       0.07008159
Cl       6.06595994      11.70100006       8.13948000       0.36848326      -0.54802322      -0.15867257
Cl       4.21596000       8.05198001       8.35300001       0.36134997      -0.68057649      -0.29474190
Cl       0.89241097       3.04465996       5.67205997       0.34216052      -0.02019580      -0.19910158
Cl       8.32934004       5.66376999       7.36824003      -0.70996805       0.74128377       0.56578189
Cl       8.70100004      10.90109995      10.43589998      -0.27682660       0.15015918      -0.89588499
Cl       9.17700004       2.68623996       4.46279994      -0.55143892      -0.15416630      -0.13089032
Cl       2.68736995       3.44413003       1.52991001       0.92867290       0.10670070       0.07750373
K        7.06529997       8.81635999       6.89361001      -0.42951453       0.02003618       0.37041579
K        3.29659999      10.60950003       8.96214997       0.18049832       0.92056959       0.36443990
K       10.15239994      11.98973737       3.57591999       0.54037747       0.64847989      -0.53128648
K        6.95745002       0.47334000       4.72297006      -0.02272686       0.22621873       0.38227401
K        2.10077006       5.30403004       4.08937005      -0.17559334      -0.29235797      -0.15990187
K       10.72579999       7.83339995       3.21276999      -0.17194786       0.13195499      -0.55726456
K        6.64999999       8.70357996      11.50370000       0.20725403       0.25356911      -0.21117844
K       10.23720001      11.96220000       8.08416995      -0.00593204       0.14827919       0.01666655
K        1.55106004       4.56445000       9.14138997      -0.10109012       0.06656013      -0.03973235
K        0.64549203       8.05802997       7.81464997       0.51755106       0.99376918       1.43960691
K       10.53959996       4.76733999       5.97784002      -0.58533090      -1.50129076       0.14113082
K        5.70855006       5.66853005       9.61535003       0.76703132      -0.27169789      -0.43138329
K        2.67462003       9.06475002       3.76555002      -0.06343560      -0.62000413      -0.32089220
K        9.15082002       3.65324000      10.61920002       0.21981688       1.03848536      -0.00777005
K        7.12051996       8.57557999       3.22706003      -0.62992536       0.26525299      -0.12756028
K        6.47584000       4.55146995       5.38928003       0.02914891      -0.19117939      -0.44964291
Li       6.93038998       0.54299503      10.26800000       0.36033290       0.10611659      -0.54098595
Li      11.46060001       1.38447005       0.31684605      -0.73692290       0.71880025       0.27215639
Li       1.35056998      11.56939995       1.22033000       0.02518324      -0.10122211      -0.68066137
Li       9.43561994      10.57329995       0.38434595       0.26355317      -0.43490803       0.43969151
Li       9.50894003       4.19994998       2.62829000       0.21212207      -0.55733865      -0.12029719
Li       7.17490995       1.98222996       1.42878996       0.01133041       0.31220586      -0.57524706
Li       3.19986004       1.91062001       3.18168996       0.17272285       0.31635784      -0.05770078
Li       0.81271700       4.60825001       0.78364397       0.26178441       0.76997649      -0.64396960
Li       5.00433000       1.61543006       8.07973994       0.42173324       0.38061402       0.19299948
Li       3.22335998       2.06863002      11.69789999       0.72373290       0.10863872      -0.25559039
Li      11.82589996       7.96680998      11.68690000      -0.81652796      -0.37977929       0.53380034
Li       2.59882006       0.32806500       5.34990004       0.43392300      -0.03313313       0.69523389
Li       4.59376002       4.95575995       1.17240995      -0.38260000       0.08296096       0.36843621
Li       1.26402997       2.06167997       7.55376000      -0.39989510      -0.73172618       0.40725961
Li       2.50077999       7.57330005      11.83269996       0.57616523      -0.23595572       0.17001586
Li       4.95083998      11.57450004       1.56362997       0.48881648       0.58224910       0.14011292
64
Lattice="12.77266485 0.0 0.0 0.0 12.77266485 0.0 0.0 0.0 12.77266485" Properties=species:S:1:pos:R:3:forces:R:3 energy=-545.06432019 stress="0.0029544923877596004 -0.0015934740070824532 0.002290216030095251 -0.0015934740070824532 0.004320011383354222 0.0021227594360363295 0.002290216030095251 0.0021227594360363295 0.0032546597436906004" free_energy=-545.06432019 pbc="T T T" config_type=wetmd 
Cl       4.50502005      11.60420001       3.56218996       0.59601266      -0.23220761       0.62156989
Cl       1.34644004      12.65386591       7.20573004      -0.35353205       0.44302411       0.29400776
Cl       5.39919996       0.20071106       0.41016501      -0.33061437      -0.37451127      -0.09493982
Cl       6.08902004       7.32983998       1.73074003      -0.12063287       0.24156577      -0.00267680
Cl       1.66349003       9.10280005       6.08048994      -0.58572806      -0.34412461      -0.11584576
Cl      10.42510001       8.74628994       5.54073003      -0.97757432       0.21755762       0.70035158
Cl      10.70129995      12.46301088      12.42379995       0.71918657       1.13626036       0.06930597
Cl      11.71320002       6.88177004       0.62332303       0.11701665       0.41694009       0.23923375
Cl       1.18050001       0.25066802       2.37843994       0.14005690       0.06392615       0.44764369
Cl       8.93392000       2.93815996       0.49376606       1.07750939      -0.08081004       0.53766198
Cl      10.21559995       4.32960998       9.61617994       0.31442389       0.20081492      -0.09243075
Cl       5.67300004       3.32816000      11.46450001       0.03920833       0.46538403      -0.14346741
Cl       0.95132404       3.02193995       5.50271998      -0.14407055      -0.59955321       0.10467674
Cl       0.87426400       4.94210997       9.42931994       0.03736351      -0.09309107      -0.29191625
Cl       1.98857006       1.76038998      11.12140005      -0.14294152      -0.17616447       0.16616599
Cl       8.60154997      11.55170002       1.97697005      -0.40579798      -0.64081028       0.83174478
Cl       2.35781005       9.63269002       1.17533998      -0.19251520      -0.12174513       0.02511354
Cl       3.60732000       3.00221002       2.34682006      -0.65654258      -0.07820080      -0.18176029
Cl       9.61982002       0.35768200       8.42553997      -0.10070069      -0.28775081      -0.39016568
Cl       5.53386996      12.69904206       9.00461006       0.03758273      -0.31843025       0.25797847
Cl       0.62718702      10.19519997      10.14710003      -0.75904273      -0.56803229       0.55539094
Cl       4.01317002       9.00075003      11.07370002       0.43425609      -0.25525361      -0.56874009
Cl       2.81840000       6.14515003       0.05395940      -0.58237022      -0.52636120      -0.40783054
Cl       8.46937997       4.55424003       5.87835997       0.49538500      -0.55579665      -0.95726265
Cl       1.64495996       5.98232001       3.93368994      -0.07411966       0.28600748      -0.45882963
Cl       6.85757006       0.66704706       5.66879004       0.19328385      -0.19541894      -0.13374360
Cl       5.63208000       6.99883995       6.05812999       0.61121976      -0.18092076       0.59206506
Cl       3.90629002       3.10690998       8.06266997       0.40949436      -0.00013107      -0.27627699
Cl       8.54090996       8.00992997      11.00379995       0.10012828       0.40534979      -0.46049963
Cl       7.29004994       2.50467998       3.01408004      -0.40427195      -0.15832961       0.58446601
Cl      10.92260004       1.15343001       3.85622002       0.06253204       0.42778597       0.27166669
Cl       0.12490798       3.69092003       0.61385504      -0.18141935      -0.52282554       0.30983745
K        7.98415997       7.36266994       4.07820996      -0.16219572      -0.27547717      -0.00282430
K       12.20849995       0.44473512       9.70788001       0.52270371      -0.35171000       0.22475160
K        9.61394996      11.75729994       5.21747994       0.53272414       0.14835810      -0.52540879
K        7.65789004      11.16919996       7.11631998      -0.85026984      -0.28566171       1.22010014
K        4.40476996       3.99791997       5.00540005       0.07322528       0.35275183       0.01035987
K       11.12100001       9.74142001      12.27024186      -0.07217944      -0.93982952      -0.05187798
K        2.72295001      10.30230004       8.35060006       1.00290598       0.50447844       0.05426305
K        8.42518004       6.24502000       8.01930996      -0.26755642       0.51477274       0.67713814
K        8.28504002       5.69491998       0.06893509      -0.16618469       0.12172485       0.03134086
K       12.56759997       7.60215000       8.28487001       0.05715740       0.14173231      -0.30946920
K       12.38689997       8.59952001       3.62974995       1.08379161      -0.32871961      -0.51270567
K        3.78877997       5.80894002       9.77199994       0.21365460      -0.25941982       0.33482949
K        3.92310996       8.37983005       4.35537998      -0.45765889       0.27074907      -0.78601560
K        8.55006004       2.27862004      10.70009996      -0.72274758      -0.68946061      -0.43640123
K        6.70878001      10.53089996      11.72559998      -0.14102968       0.01624638       0.19024323
K       10.63469995       2.75142002       6.96902995       0.09295196       0.20578145      -0.11324255
Li      12.11139998       4.34205004      11.12780005       0.06293951       0.22716639       0.20642373
Li       6.78553006      12.38744588       3.21596005      -0.58458448       0.44767639      -0.16229114
Li       5.57567004       2.07199996       1.67065996       0.09657062       0.16860698      -0.45693195
Li       1.86480000       8.69965004      11.57159996      -0.03204993       0.29490123       0.60886749
Li       9.30371994       3.03743997       3.84322001      -0.43538357       0.01285166      -0.12265899
Li       4.32525999       1.71278000      10.75679999       0.10234191      -0.30861125      -0.11378134
Li       0.75308296       0.46032697       5.18600004       0.14484565       0.34914208      -0.30833088
Li      10.00539995       0.43234398       1.86889006      -0.32794815       0.55984395      -0.59251374
Li       2.24400995       3.05953004       0.36777202       0.54597091       0.15501245      -0.33009143
Li       3.47743004      11.83969998       1.67469000      -0.13715636      -0.03340635      -0.41951295
Li       1.33344003       2.52643004       3.16625996       0.20878457       0.32341797      -0.06416275
Li       5.36154998       1.38344003       7.29876996      -0.01858020      -0.13378933       0.15938516
Li      12.70956559       0.80631700       0.66314194      -0.19185893       0.29564426      -0.55595119
Li       1.69692005       2.93653004       7.85314998      -0.00843806       0.06000307      -0.10865243
Li       1.09822004       5.98715995       1.64957000      -0.15491800      -0.10840564      -0.12848559
Li       3.96190999       7.88572002       0.48888805       0.61738617       0.54948230       0.35111255
64
Lattice="11.64481647 0.0 0.0 0.0 11.64481647 0.0 0.0 0.0 11.64481647" Properties=species:S:1:pos:R:3:forces:R:3 energy=-547.31213935 stress="-0.023475090056687964 -0.002613446380155793 0.0028410440465216407 -0.002613446380155793 -0.02206035339746233 -0.00039295183928326116 0.0028410440465216407 -0.00039295183928326116 -0.017918971246543857" free_energy=-547.31213935 pbc="T T T" config_type=wetmd 
Cl       5.51281996       1.62497999       2.59231000      -0.55546106       0.11284126       0.15799960
Cl       6.78703001       3.07176995       8.71937004      -0.71645540      -0.28102617       0.34776433
Cl       1.02907002       9.44360997       9.18165004      -0.32881444       0.99685333       0.47372044
Cl       3.72200998      10.91170005       1.17253998      -0.14538202      -1.29476530      -0.54935046
Cl       4.75329996      11.33880001       8.99089002      -1.47188604      -0.09610824      -0.33529772
Cl       9.54231004       6.44191003       8.97970994       0.76685698       0.01011202       1.23508617
Cl       7.77727004       0.71246900      11.32920002       0.37638446      -0.79685272      -1.27316512
Cl      11.08250004       6.58694994       1.72520005       0.00810485      -0.11892590      -0.66275762
Cl       4.57909002      10.05870001       4.97565005       0.28962821       0.11151521       0.24671149
Cl      10.07240002      10.86740002       5.40896997      -0.16945901       0.59331026       0.16271012
Cl       5.63275004       6.38002004       6.31814996      -0.18534766      -0.41086316       0.66085017
Cl       7.94066999       4.15311005       0.12668349      -0.03512081       0.03268532      -0.17086540
Cl       2.87514000       4.40327995       5.03784001      -1.03770760       1.18837925       0.73880247
Cl       1.07972997       9.01929999       4.26121005      -0.09830895       0.13402708       0.31108455
Cl       5.22517005       6.11988998      10.54169998      -0.38581082      -0.50269485      -0.06591921
Cl       6.39805996       9.13737005      11.62999995      -0.00788704      -0.29762703      -0.56657309
Cl       3.93474005       2.71034000      11.23320004       0.21052443       0.81677704       0.40994922
Cl       6.31205996       5.96354003       2.71657999       0.35412287      -0.22850270       0.09513161
Cl      11.07890005       3.79522001      11.64020000      -0.19283922      -0.38065517      -0.32844184
Cl       2.06758002       1.66743000       7.84750004       0.20221698       0.33235147      -0.66070931
Cl      10.18189995       9.32355005       0.01748353       0.52072676      -0.16344347      -1.39838885
Cl       1.77630997       6.51404000       8.88339998      -0.17232498      -0.60427224       0.22386441
Cl       1.71796001       1.70125004       3.21894995      -0.04756998      -0.41742041      -1.05105371
Cl      10.12519994       2.38387000       8.42758995      -0.93639535      -0.98435899      -0.04199381
Cl      11.20540002       3.33075998       5.15944997      -0.44162035       0.23747794      -0.06915033
Cl       7.38699006      10.43330001       2.85203005      -0.43816388       0.72172074       0.24594949
Cl       8.37218997      10.28860001       8.51463996       0.26341345      -0.34050035       0.14432884
Cl       3.10684996       7.39978002       1.49082996      -0.50724075      -0.07858125       0.32993861
Cl       9.29697996       6.94137996       5.50544006       0.22408283      -0.04703861      -0.39338697
Cl       7.64158999       2.13839005       5.30081001       0.38791087       1.09667689       0.08282225
Cl       9.44783005       1.57728003       2.57842996       0.47033234      -0.50460631      -0.49291470
Cl       0.86510494       0.86344102      11.03710005      -0.18899739      -0.16900486       0.17322599
K        6.90701005       8.09134995       4.49087995      -0.05042709       0.54700553       0.04022381
K        6.73723002       0.29198353       7.04738005      -0.61063894       0.11674328      -0.25182734
K       10.66819995       8.58989005       7.42415996      -0.23966178       0.42132477      -0.66489494
K        0.93255405      10.22569995       1.61581005       0.27944163       0.20488883      -0.01670996
K        9.33247999       4.33712005       2.52517997      -0.28402125       0.64501765       0.96783721
K        9.64105005       8.97063002       2.54071997       0.14148039      -0.39125595       1.46910416
K        3.47679996       8.75402001      10.59869996       0.53411106       0.13965656      -0.10508068
K        6.89774998       7.71559001       8.73610003      -0.28406792       0.12894925       0.32800420
K        3.50129005       7.31350998       4.46542997       0.21657247      -0.01164074      -0.24441053
K       11.64470002       4.45508006       7.74260004       0.74120728       0.93426484       0.17118615
K        0.24148357       6.38483005       4.45138003       0.28553795      -0.81099954       0.00329330
K        1.93538003       5.00697996       0.15128352       0.65470194       0.25491767       0.11453830
K        3.76763996       4.33376995       8.31381998       0.53055742       0.04853768      -0.15035369
K        5.31421005       3.80649999       4.32463005       1.19840747      -0.11512305       0.04722153
K        2.23722997      10.14579997       6.73127999       0.35276571       0.56331441      -0.22794104
K        8.19974002       4.85414000       7.10787999      -0.33159020      -0.69800185      -0.62393337
Li       9.68608998       5.64387003      11.32480003      -0.17997306      -0.06671352      -0.01553753
Li       6.50588001      10.94690000       9.97353005       0.89515120      -0.54152264       1.26883393
Li       8.99986002       2.28664999      10.47680004      -0.13316550       1.00666827      -0.03245660
Li      11.55070004       7.83069005      10.33360000      -0.05562961       0.06309823      -0.00553287
Li       7.34543995       1.30455004       1.60593000       0.41527837      -0.02253523       0.60250643
Li       5.96196996       3.89054005      10.87889998      -0.15367696       0.01160551      -0.40152652
Li      10.31609994       1.47006003       6.14483003      -0.47418704      -0.10950907      -0.26195468
Li       8.33720999       0.46318352       4.15044001       0.31932284      -0.70836415      -0.14429115
Li       9.46782001      10.86959996      10.32219996      -0.16672289       0.21175222       0.39817109
Li       1.72634998       2.65253001       5.19981999      -0.30045914      -0.58598343       0.09101683
Li       3.51667996       1.25025003       1.47831003      -0.24454640       1.44325966       0.40300649
Li       5.14191998      10.94940002       2.93417002       0.07026170       0.02136111      -0.01591519
Li       0.20928355       1.20207996       8.84290000       0.40344731      -0.46815777       0.76820902
Li       3.14935005       1.12799005      10.11750004      -0.41674590      -0.92051126      -0.55888471
Li      11.39659999       2.15785995       1.58506005       0.60631352      -0.39916231      -0.06234406
Li       5.25425997       6.97102999       1.15225995       0.26944313       0.41963497      -0.86952920
64
Lattice="12.69170496 0.0 0.0 0.0 12.69170496 0.0 0.0 0.0 12.69170496" Properties=species:S:1:pos:R:3:forces:R:3 energy=-547.44681686 stress="0.002428526717645636 -0.0010340620244307088 0.0005602692976207483 -0.0010340620244307088 0.0013904556845222443 0.001150777021748937 0.0005602692976207483 0.001150777021748937 0.006028514150441909" free_energy=-547.44681686 pbc="T T T" config_type=wetmd 
Cl       5.73200002      10.03410002       2.87486003      -0.31938579       0.14198691       0.06584457
Cl       4.14758001       1.96262000       7.03945999       0.18253381       0.32477062       0.09592235
Cl       1.00481002       9.58989999       7.05591999      -0.44569116       0.16764302      -0.42249986
Cl       2.72424997      11.97029995       4.08449005       0.15617127       0.23159157      -0.07429838
Cl       6.79108003       1.08817003      10.81250005       0.11442878       0.09701402      -0.71169413
Cl       6.58747995       5.87676998      10.10659998      -0.33473611      -0.09520725      -0.34025947
Cl      10.58879999       1.52838004       9.84417995      -0.50690948       0.38147881      -0.36262546
Cl      12.59939997       8.13652996       1.23561997      -0.14860846       1.52555331      -0.86263350
Cl       9.22771998       8.56194004       5.86305000       0.59286679       0.03792324       0.37409540
Cl      11.52600004       0.20098305       4.34478994       0.33556905       0.43683088       0.13316029
Cl       5.67165997       4.06610003       4.36466997       0.46472554      -0.26723808       0.18042794
Cl       5.82215999       5.02225005       1.04701997      -0.49688334       0.73827023      -0.93072274
Cl       5.84924003       7.36570002       6.69208003       0.26897595      -0.83804904       0.23375462
Cl       3.34425994      11.22199994      12.26149995       0.07051150      -0.46105064      -0.09625927
Cl       3.31595998       7.68259006      10.47509996       0.08533376      -0.33318995       0.07880398
Cl       6.87109006       9.27606002      11.87180001      -0.21962014      -0.00888257      -0.46302707
Cl       3.28605997       3.75821005      10.95080004      -0.39759697       0.15122157       0.18649888
Cl       2.32000001       7.46975004       3.72975005      -0.43769838      -0.14003339       0.09218076
Cl       0.81430804       4.17525999       7.04566002      -0.11043340       0.04413343       0.22971605
Cl       2.56873001       0.53803602       9.79930005       0.31586413      -0.28958906      -0.60980495
Cl      11.87759999       8.26311004       9.58959996      -0.28077353      -0.69371627       0.31668342
Cl      11.56839998       5.14759003      12.26989995       0.39537462       0.29731115      -0.22922930
Cl       0.64563896       3.49804000       3.04772003      -0.12878609       0.14035397       0.11256906
Cl       9.34134005       4.63622004       7.46256996       0.16590181       0.04359559      -0.09530668
Cl       9.03866002      10.84139995       1.69514003       0.92236301       0.79005297       0.16331894
Cl       8.24131001       2.08862997       2.30554999       0.98720240      -0.33051862      -0.06053375
Cl       7.87983997       0.91289099       6.89988995       0.21586595       0.48872182       0.44811050
Cl       9.67774004      10.73879995       9.04035005       0.12569439       0.48420562      -0.58002644
Cl       9.92086006       5.78984005       2.92847994       0.66741002       0.61394227      -0.21900046
Cl       4.97456998      10.17689997       8.54731006      -0.13314998       0.48141864       0.01205479
Cl      12.53879999       0.11171696       0.78258398      -0.52075108      -0.03722569       0.29875671
Cl       5.28470994       0.68128400       1.31685006      -0.14488624       0.24536649       0.19290648
K       11.33230000       6.53218004       5.78964003       0.27846540      -0.23593202      -0.01160069
K        1.47035001      10.13780000      10.01799995       0.20801452       0.26735105       0.07388334
K        9.23845005      11.42969995       5.42176005      -0.22152915      -0.12835602      -0.29629235
K        3.76483005       8.93029000       5.67596995      -0.08747350       0.97200404      -0.18184160
K       10.25569998       3.37881006       4.15855999       0.17930616      -0.88109520       0.18227459
K        0.39708804      10.30970001       3.55910995      -0.14273206      -0.18920636      -0.16893103
K        0.51678605       1.84894002      11.36470001      -0.06510141       0.44818585      -0.00278618
K        8.17222994       8.23974004       8.86307003      -0.10683391       0.11891174       0.02082649
K        7.48236001       6.80755005       4.00961001      -0.64028947       0.31819993      -0.15337520
K        9.08204002       4.29276004      10.99040006      -0.40694967      -0.30270746       0.01314369
K        1.03428004       5.80727998       9.68329000      -0.01008746      -0.15027995      -0.12805581
K        2.57897996       7.35717005       0.86459905       0.88857198       0.00877296      -0.08670447
K        1.39214994       1.09778006       6.31497001      -0.29661190      -0.12480901      -0.24132363
K        2.91806995       4.86774999       5.02009005      -0.11169577      -0.15176904      -0.28188278
K        6.23937999       0.80386201       4.25236006      -0.38713491      -0.09861062      -0.24511467
K        6.39387002       4.04680000       7.44091004      -0.01201313       0.16556100      -0.15966569
Li      11.97649997       6.30947006       1.74228997      -0.91856319      -1.81721210       0.52324731
Li       4.74517998       5.30126995      11.56560006       0.85040621       0.30604301       0.26028645
Li       6.49922996       3.37501004       2.17237999      -0.35825185      -0.20412120       0.26527509
Li      11.39710003       7.43115000      11.72290003       0.11886917       0.26944015       0.29525829
Li       8.48687000       0.14679505       9.41424996       0.17374464      -0.24544779       0.04578215
Li       3.44249996       2.47030000       9.24675005      -0.04279946      -0.02290623      -0.58189566
Li       4.58628999       0.12408198       8.17414005       0.09955839      -0.82893739       0.47067855
Li       7.03002003      10.69969998       0.94381800      -0.45914429      -0.17728872       0.20763769
Li       9.58225996       2.45957005       7.77932002       0.13445524      -0.46560422       0.28272809
Li       3.85097004      11.57830001       1.79764002       0.40958698      -0.01883833       0.44760511
Li       0.23444206       1.33647994       2.66693995       0.01566002      -0.26650056       0.14524801
Li       4.95578994      10.04909996      10.90009997       0.07104877      -0.07809418       0.23381893
Li      10.02240004       0.41418503       0.84392299      -0.19784317      -0.68052627       0.52539200
Li      11.38829999       9.65463999       7.52153994      -0.18120754      -0.04415259       0.59053730
Li       4.79419002       0.97919994      11.80640003      -0.17407796      -0.30599752       0.37946696
Li       5.07046000       7.48589998       8.79554001      -0.04823028       0.17523751       0.41949643
64
Lattice="12.41465662 0.0 0.0 0.0 12.41465662 0.0 0.0 0.0 12.41465662" Properties=species:S:1:pos:R:3:forces:R:3 energy=-548.55952723 stress="0.0016828013310129061 0.001472265316680372 0.0018320324937299197 0.001472265316680372 5.674448048967561e-05 -0.0037540744209566238 0.0018320324937299197 -0.0037540744209566238 0.0005572438633851772" free_energy=-548.55952723 pbc="T T T" config_type=wetmd 
Cl       8.67887006      10.25699998       4.31177995       0.28647945       0.14486621      -1.01305094
Cl      12.34894199      11.43849999      10.61090000      -0.07211822      -0.38267609       0.14359294
Cl      10.88659998       5.66145996       2.34147004       0.31245511      -0.04371752      -0.10369856
Cl       0.62714997       8.77081002       2.60166994       0.50027034       0.18967571      -0.19653250
Cl       4.45056005       0.75859399       5.85461997       0.33551874      -0.49343442       0.51132662
Cl       0.89028805       2.21968995      11.38409996      -0.28871096       0.01516781       0.37528807
Cl       8.71151998       3.92630002      11.70939997       0.27343322      -0.49059019      -0.26762643
Cl       7.19958004       7.47919002       2.53412999       0.27864418      -0.33212532      -0.03889056
Cl       7.73348005       6.54634999       9.09729004      -0.39336979      -0.21789392      -0.27030099
Cl      11.31010004       0.38454337       1.83012001      -0.00733236      -0.61122882       0.22846952
Cl       5.53111003       5.70269995       6.41273998      -0.03810966       0.07538023       0.01990289
Cl       1.72380003       4.18510998       7.98874997       0.76141143      -0.93675652       0.40664780
Cl       4.15501003       7.42706001       9.69225005       0.02833989       0.00576624       0.28101518
Cl       4.65145005       9.57422006       4.36688998      -0.40847791      -0.10291720       0.24244619
Cl       6.93363004      10.94349995       8.72693005      -0.27966377       0.67774116       0.14276790
Cl       6.67946006       2.58404001       8.33061994       0.08891511      -0.21581731      -0.13701287
Cl       4.91164002       3.89664997      11.45890000      -0.08968895      -0.04879646      -0.58865213
Cl       0.40529397       1.85227000       5.12115995       0.19468242      -0.00046321      -0.24121483
Cl       3.82785999       0.11234333      10.41710001       0.08043548      -0.11937002      -0.14620963
Cl      10.05370004       9.39705000       7.23426002       0.41855550      -0.05263900      -0.36351797
Cl       9.23179999       7.61360996      11.72770004       0.91605065       0.50828198       0.15812744
Cl      12.08307765       6.99916999       9.63043995      -0.02059229      -0.57077821      -0.10544706
Cl       1.77899000       5.96788000       4.97986005      -0.33053340       0.83211040       0.13607916
Cl      10.07130005       5.75235995       6.39993004       1.02751567      -0.02683326       0.56428048
Cl       5.88927002       4.12035998       2.77949003       0.26929580       0.06562584       0.18209398
Cl       8.68115994      11.82109997      12.11970002      -0.07516854       0.10501933      -0.30936115
Cl       1.56864003       9.72787999       6.96596004      -0.57460069       0.15098554       0.11564392
Cl      10.30960001       0.67942101       7.38440002       0.08063334       0.02783694       0.41508246
Cl       2.35482994       5.28862001       1.61559003       0.35979189      -0.24054131      -0.55113080
Cl       9.06269002       1.87367994       4.03185005      -0.07120027       0.33164546      -0.23818917
Cl       5.77333004      10.54109996       0.75066897      -0.44419840      -0.23902282       0.37212399
Cl       3.51914001       1.74047005       1.80426004      -0.34376798      -0.20647052      -0.16945362
K        9.43807994       9.96433996       9.77842999       0.06455744       0.41232863       1.33927173
K        2.79656999       9.64690005      11.83680004       0.22118049       0.05233543      -0.30376763
K        6.02635998       8.66200996       7.34581005      -0.52616196      -0.50376064      -0.33181125
K        3.47899001       3.42176006       5.44099005      -0.05054020       0.33463281       0.03748519
K        6.98407005       6.16886994      12.10739995      -1.42644550       0.12002537       0.33911310
K       10.20779995       1.63568005      10.31429995      -0.05431038      -0.31534148       0.08882872
K        1.26598002       0.62893197       8.09884997       0.08267803      -0.01889641       0.00537904
K        8.55566998       5.08460996       4.23514999      -0.91352098      -0.17377484      -0.69282610
K       11.23480006       8.50548994       4.74946997      -0.21509400      -0.38673621       0.31305241
K        7.84006000       0.03580101       5.84747000      -0.83232083       0.19515839       0.96946824
K        2.45286998      11.95010005       3.85427006       0.13749088       0.04827619       0.19105221
K        4.43034998       6.62877996       3.69224998       0.34902299      -0.11614538      -0.16973864
K       10.08860000       9.49174006       1.31480003      -0.04826297       0.08888884       0.04774886
K        1.91378996       5.00183002      10.92170006       0.24033993       0.43654472      -0.26419833
K        0.19507895       2.92321998       2.04070003       0.26384233       0.56299378       0.37698649
K        6.82008001       1.57657995       1.52707005       0.00573597      -0.22125293      -0.28475670
Li       0.91589601       6.30685003       2.89572002      -0.48281588       0.35034491       0.04649627
Li       7.69490995       4.21572999       9.30944994       0.37796458       0.15601805       0.35324241
Li       9.90436004       5.61628004       0.21594339       0.30199172       0.26633317       0.07241983
Li       9.36973999       7.40391995       7.71112994      -0.09574857      -0.81080092       0.24813528
Li       2.29930999       8.56343994       5.30225006       0.33596022      -0.42708495      -0.24493247
Li       0.02398524       5.24801998       7.60511995      -0.88526888       0.93435491      -0.24590332
Li       5.55002004       0.59210401       8.18456002      -0.41463608      -0.01280943       0.21450823
Li       5.32006000       5.65048006       8.78079004      -0.22861549       0.16838803      -0.30769170
Li       6.57291003       9.52987006       2.95112005      -0.21889497       0.28948626      -0.13578293
Li       6.56133001      10.86339996      11.09419997       0.05604625       0.46884355       0.14352635
Li       0.26674504       0.27364336       0.16584343       0.01874907      -0.18658816      -0.91303235
Li       3.07319002       1.70431994      11.93199997       0.51332539      -0.02677098      -0.26549802
Li      10.61020006       2.10169001       5.73300003       0.41604632       0.01621858      -0.09794927
Li       4.44722001       3.94025000       1.12848000      -0.63389162      -0.02850392       0.60065698
Li      11.94919998       8.80572997       8.52884998       0.73179720       0.61988669      -0.59757139
Li       9.79501001      12.23965366       3.44428000       0.13490446      -0.09062278      -0.08651056
64
Lattice="12.45582229 0.0 0.0 0.0 12.45582229 0.0 0.0 0.0 12.45582229" Properties=species:S:1:pos:R:3:forces:R:3 energy=-548.55450511 stress="-0.0021587319307362096 -0.00272555320887129 -0.001712220890247558 -0.00272555320887129 0.00023608090711692902 -0.00020891895790669125 -0.001712220890247558 -0.00020891895790669125 0.0013816137504832078" free_energy=-548.55450511 pbc="T T T" config_type=wetmd 
Cl       9.23884000      12.25670003       3.50205994       0.31560646       0.31026700       0.12768418
Cl      10.18900002       0.29823997      11.24140004      -0.33464191      -0.53858872       0.27328403
Cl      11.64019997       2.43110996       8.75949998      -0.15710470       0.36946937      -0.16270868
Cl      11.16919999       7.95375999       5.60862996      -0.35820207       0.17306381       0.23946607
Cl       7.47042002       1.48531994       6.81640005       0.22057211      -0.68083697       0.35235830
Cl       2.49922001       2.91991005       9.45129000      -0.54397207       0.29618502       0.37594976
Cl       6.42488005       6.00013999       8.39688994      -0.04415708      -0.23734822      -0.44008037
Cl       8.45640000       2.54811995       0.84043095       0.33593717      -0.90333217       0.18681566
Cl       7.83611001       9.50236995       9.16538005      -0.25673002       0.22329976      -0.49132226
Cl       0.00253401       0.98422794       2.32789005       0.31603627       0.27519475      -0.36712451
Cl       1.46250997       5.32801000       5.03365002       0.24926742      -0.10376954      -0.07115661
Cl       5.04776994       3.74183003       5.44561999      -0.16705536       0.42575884       0.10133377
Cl       2.52678001      10.67970000       9.06368997       0.50391441       0.55952951      -0.18391758
Cl       1.75478995       8.67872995       2.63779004      -0.20544951      -0.54294178       0.08875126
Cl      11.65909994      11.46309998       7.67371001      -0.51616592       0.22595170       0.22427481
Cl      12.38940000       4.47892001      11.70490000       1.38737737       0.22005430       0.81621722
Cl       3.20797000       3.23962000       0.85280805      -0.30896504       0.69619723       0.30200176
Cl      10.02439994       3.91957997       4.39772000      -0.32613247       0.15692782      -0.02123947
Cl       6.08043994       1.21611001      10.42100005       0.25139627      -0.22889886       0.24874559
Cl       8.96280005       5.68552000      11.58760003      -0.61632859       0.24009834       0.77676216
Cl       7.29182994       5.87413004       3.11798005      -0.08041996      -0.10572104       0.49084480
Cl      11.04940002       9.10614003      11.16310001      -0.49280237      -0.23089828      -0.31942653
Cl       2.46952994       6.46662000       8.72898994      -0.05834539       0.04261931      -0.35938341
Cl      10.81950004       5.91893002       9.15407004       0.64245624       0.04943745      -0.75350132
Cl       6.55596998       9.84059996       4.01310999       0.20560769       0.06291983       0.25057143
Cl       7.43246003      11.01690004       0.25631703       0.44991549       0.20867577      -0.08395357
Cl       4.47239004       7.20705997       5.62080004      -0.69860701       0.76659105      -0.47074111
Cl       1.86257005       0.90360701       6.19774003       0.60752553       0.13446695      -0.41731998
Cl      10.95799994       6.52484001       2.34683997      -0.45450912       0.44389793      -0.07573667
Cl       5.39538005       0.92348301       2.21840998      -0.14791897      -0.36977867       0.28973073
Cl       6.01874002       7.78899001      11.92340003      -0.56869673      -0.24432689      -0.10498493
Cl       2.66360000      11.75949997      12.39400006       0.86993923       0.42739809       0.03885125
K        5.11565006      10.66200003      10.79430005      -0.01552529       0.03745960       0.10126567
K        3.97109999      10.39890006       2.75867006       0.26436515       0.49426434      -0.13829998
K        8.72392005      10.78209994       6.29002995       0.29224669       0.08385469      -0.18139422
K        2.99780005       2.36008001       3.87977004      -0.00881604      -0.09746911      -0.21182775
K        0.70858595       8.77409995       8.10509997      -0.78033392      -0.30904787      -0.17879605
K        0.38815394       1.32387006      11.38609995       0.94385975       0.67755608       0.24490896
K        4.52741999       1.91827996       7.88700998       0.54452705      -0.34224024      -0.26245753
K        7.33350002       2.27480994       4.12612005       0.13690501       0.29978605      -0.30080650
K        8.18365996       8.21223997       1.41016001       0.31795539       0.09400055      -0.02942606
K        8.73637001       3.84407004       7.96982999       0.10720540       0.22567860       0.05763881
K        5.34033005       9.42384994       7.20042002      -0.09921087       0.00443218       0.11467588
K        4.37019999       6.26125003       2.41499997      -0.19624368       0.07437608       0.00163531
K       11.69499999       1.67244002       5.13462999      -0.18339810      -0.33797138       0.53256634
K        4.14678999       5.27500997      10.74889994       0.39091030      -0.27341230       0.16099309
K        0.45349606      10.36420001       0.32778094      -0.63756243      -0.53474904       0.80950761
K        0.33539394       4.36610003       2.47617998      -0.08790997      -0.26422759      -0.44424172
Li      11.23950003       6.76436996      11.29720001      -0.38205931      -0.04385120       0.05912688
Li       7.65873998       7.23817997       9.74535004       0.13913760      -0.06793049       0.69283953
Li       8.62258994       4.46768996       1.75497006       0.37485990       0.95449768       0.08791096
Li       0.86423403       4.90332998       9.19576005      -0.30953227      -0.50371170       0.13897238
Li       3.33287998       5.52544001       6.57329005      -0.34809096      -0.10749756       0.08288762
Li       9.72132998       6.47151004       4.49971999       0.53724989      -0.31671181      -0.45755762
Li      10.70370001       0.56722706       9.15953005      -0.11372093      -0.42898438      -0.81057290
Li       6.00828996       5.84429000       5.41072002       0.83661457      -0.69179842      -0.00228758
Li      10.28699994       1.14664999       1.92436002      -0.42457349       0.05389171      -0.06128054
Li      10.53950001       4.30338994      10.90910001      -0.98304148      -0.19613938      -0.82012868
Li       1.18850006       0.19817774       8.12708001       0.04177139      -0.29896766       0.16797177
Li       8.01380004       0.72478001      11.79900000      -0.79608446       0.27978615      -0.04069636
Li       0.48787774       7.44846004       4.33537002      -0.01401675      -0.12027252      -0.42583196
Li       3.71287000       1.10985998       0.54956296       0.64724222       0.28563340      -0.08280485
Li       9.11097003      10.59699995      10.63829997       0.31857154      -0.25826724       0.54333159
Li       7.40304000      12.14830000       2.30425002      -0.53264923      -0.49352994      -0.20886787
64
Lattice="11.41591345 0.0 0.0 0.0 11.41591345 0.0 0.0 0.0 11.41591345" Properties=species:S:1:pos:R:3:forces:R:3 energy=-546.46381932 stress="-0.03468089832209341 -0.003934540167520587 -0.0005489345672519253 -0.003934540167520587 -0.029502732343203098 -0.0021589843248822423 -0.0005489345672519253 -0.0021589843248822423 -0.031389894239555245" free_energy=-546.46381932 pbc="T T T" config_type=wetmd 
Cl       9.45598000       7.36775999      11.14640006      -1.14042306       0.30357955      -0.52837458
Cl       2.16662005       2.08267005       8.63200996       0.38608637       0.11778702       0.05956825
Cl       1.09274003       1.94412995       0.59877505      -0.20619360      -0.95327935       0.58233154
Cl       6.58671995       7.95743998       4.67113002       0.35450006       0.04628827      -0.44185993
Cl       5.23853003       4.83288004       6.68682998       0.68007904       0.09906937      -0.28722010
Cl       1.48502997       5.36519004       9.79796001      -0.22750946       0.40403412      -0.48397970
Cl       8.93911995      11.19039996       6.97609005       0.03698088      -0.70497720      -0.84500953
Cl       8.83888001       5.22528003       3.01423005      -0.44799177       0.26532341      -0.16198238
Cl       7.80610002       7.64106004       8.00179001      -0.67462823      -0.64788998       0.96411043
Cl       9.88661006       3.53830004      11.22039995       0.18334133       1.11292900      -0.34752719
Cl       0.22898656       6.05487001       6.25364001      -0.42431427       0.41724952      -0.04526247
Cl       2.51333002       9.81114996       0.46508660       0.76115805       0.48295455       0.92430003
Cl       7.31680004       2.43432002       1.16977004      -0.83745508       0.07692865       1.26522753
Cl       6.97996997      11.34670002       3.32399001      -0.70252139      -1.39323254      -0.23678734
Cl       2.16731003       2.54227997       5.25707997      -0.32060843       0.03812616      -0.48118181
Cl       7.25129998       2.54968000       5.12574000       0.34415209      -0.11171635       1.13962034
Cl       2.84189005       7.22116996       4.12704005       1.07841850       0.10349888       0.39286928
Cl      10.06319997       1.35322001       3.56006003       0.46415720      -0.18558360      -0.10125846
Cl       4.05428004       3.46822003       0.15298660      -0.43122866      -0.48770675       0.06478400
Cl      10.50349999       2.81868995       7.39996999      -0.36244643       0.04751207      -0.05703941
Cl       7.96028996       1.73528997       9.30754002      -0.43665336      -0.48392926      -0.29661064
Cl       0.26248655       9.42683003       8.89092002      -0.21105707       0.09780648      -0.03511261
Cl       6.29117006       4.94452996      10.06150003       0.69165090       0.63157317      -1.11635012
Cl       4.45566002       8.11031995       8.91015001       0.40865186       0.42371937       0.45410596
Cl       6.34219999       7.45296003       1.12180003      -0.39832907       0.15506653      -0.52065378
Cl       4.15498997       0.75138595       2.50556000      -1.00253236       0.12745930       0.66337051
Cl       5.39903001       4.77583004       3.02663001      -1.03181475       0.09878881      -0.26881468
Cl      10.55329997       8.22781995       3.10740000      -0.41199914       0.29063983       1.05229363
Cl       9.67334002      11.11319996       0.74968658      -0.58727216       0.33109879      -0.33347391
Cl       3.11584001      10.55309997       6.34769995       0.48004588      -0.42814210       0.05891448
Cl       0.40961702       5.53617999       1.81501996       0.09193349      -0.61230012      -1.41096604
Cl       5.91219997      11.05170003      11.18980005      -0.39134052      -0.30156863      -0.85854558
K        2.72012997      10.83750005       9.30831995       0.48459757      -0.01473472      -0.15186987
K        6.37966005       9.74876005       6.79330997      -0.79448433       0.38343362       0.07815192
K        2.58845997       4.71697998       7.16140000      -0.85708275      -0.57466137       0.01558766
K        4.68366001       9.26955996       2.72995999      -0.10425670       0.05700539       0.21327203
K        8.91779000       9.70692004       9.58446005      -0.19404538       0.59733487       0.18460118
K        0.42832701       0.08618661       5.71238998      -0.22897964       0.32524076       0.19998397
K        5.21185001       2.35410006       9.01979998      -0.53195992       0.25790803      -0.22055665
K       10.92169995       1.10192002       9.77623998      -0.19383511      -0.06686052      -0.50391422
K       11.38090004       8.93872998       0.63218303       0.47180828       0.15899704      -0.18745250
K       10.11450000       5.61900005       9.01902997      -0.13243409      -0.45234352      -0.72249468
K        2.94750004       7.09257004      11.28360004       0.49074771      -0.39103243       0.62487146
K        9.31484004       7.76633006       5.81767005       0.73515677       0.08574181      -1.00579696
K        2.20940004       3.60210004       2.53628000       1.08226193       0.09299132       0.57501998
K        4.71136004       1.23967002       5.24895002      -0.03847936       0.35591894      -0.05703604
K        2.08877003       7.89630000       7.32571998       0.02471835       0.05250682      -0.53727705
K       10.70099998       3.85452998       4.75563997       0.11382304      -0.06108966      -0.09032161
Li       7.46244004       0.17228657       1.19153996       0.84941326      -0.33660812       0.26769199
Li       8.31605001       0.46338654       4.76257000       1.00494668       0.49318611       0.30070818
Li       5.98525999       8.90661005      10.77859999      -0.21232678      -0.75434602      -0.05612234
Li       8.24789998       7.42475999       2.45733998       0.06803351       0.14728462       0.23499407
Li       5.30550000       6.21669001       4.72786003      -0.49444295      -0.38280122       0.06642018
Li       7.66334002       3.35573995      10.76010005       0.71406252       0.41336346      -0.84774659
Li       9.51916000       1.99852997       1.30452999       0.64245594      -0.39723376       0.60650284
Li       5.30459997       1.46229004       0.94090301      -0.27824881       0.80256763      -0.46182844
Li       7.17555996       3.71902000       3.35551997       0.57976092      -0.06027484      -0.48311667
Li       8.25814998       1.90780999       7.02046998       0.77214117       0.65439018       0.52765730
Li       1.01917999       6.77312001       3.23977996      -0.63253097       1.07783738       1.14624319
Li       2.08760001       0.54258661       2.03834000      -0.44762978      -0.43896958      -0.56461639
Li       5.73617001       4.87792004       0.67741505      -0.14279138       0.28252498       1.06601729
Li       9.75380999       5.73469999       0.88035403       0.35668509      -1.53764497       0.86882748
Li       5.71587001       6.37988997       8.17051001       0.67771102      -0.08578076       0.33112599
Li       1.75560002       3.34511002      10.51190005       0.50036738      -0.04495846      -0.18101245
64
Lattice="11.97358704 0.0 0.0 0.0 11.97358704 0.0 0.0 0.0 11.97358704" Properties=species:S:1:pos:R:3:forces:R:3 energy=-548.67920554 stress="-0.007917009738705582 -0.002078778298697791 -0.0015483871864022647 -0.002078778298697791 -0.008557754358663527 -0.0005587907652484452 -0.0015483871864022647 -0.0005587907652484452 -0.005921598172655099" free_energy=-548.67920554 pbc="T T T" config_type=wetmd 
Cl       8.55023002       7.22817000       1.56883002       0.18108349      -1.07877602      -0.12770315
Cl       1.73143996       2.14062005      10.04340003       0.42223855      -0.79076431      -0.72397241
Cl       0.69804803       0.13961298       0.69284898       0.10532329      -0.18535609       0.12659790
Cl       6.45413998       6.94775003       5.35488004      -0.51743419      -0.14472321      -0.16368656
Cl       4.18612001       5.72154001       8.16410004      -0.16509092      -0.07823420       0.46844113
Cl       0.11161299       5.89421997      10.95600001      -0.01173618       0.54521794      -0.33171919
Cl       7.96417000      10.53710000       6.64065997      -0.17373766      -0.23936954       0.65925369
Cl       7.66523000       4.13201999       2.40031997       0.43174773      -0.11715103      -0.41341416
Cl       8.83809002       5.58015003       9.69977005      -0.05441517       0.17375460       0.70696494
Cl      10.37279999       3.17487000      11.92769994      -0.02383150      -0.06252356      -0.02600345
Cl      10.31049998       6.30037997       6.44822994       0.35498681      -0.00174384      -0.06200513
Cl       3.23496999       9.46122998       2.41812002       0.34174314      -0.23189164      -0.39000577
Cl       7.57156997       1.52940004      11.70919994      -0.76849156      -1.84286385      -0.54405523
Cl       6.90763001      10.27859995       2.58847998      -0.03656148      -0.59386047      -0.21038125
Cl       2.53271001       4.31331997       0.37621094      -0.14959347      -0.49366149      -0.47759530
Cl       6.93246000       1.73392004       4.88412003      -0.85303566       0.93084330      -1.95999761
Cl       1.94074999       6.35140002       5.42645000       0.03419511       0.13736139      -0.09272029
Cl       9.98555000      11.53120000       3.93511004       0.25144180       0.36931741      -0.28210613
Cl       4.09311002       7.85209004      11.22850005      -0.98852080      -0.78404901      -0.39980920
Cl       1.38962997       1.50595995       6.62097001      -0.29214740       0.21535179      -0.57080198
Cl       5.36300999       1.33432995       7.89084004      -0.09421726       0.19633499       0.82769843
Cl       0.20433597      10.16400003       8.52051002       0.05104027      -0.46672689       0.76980854
Cl       5.77274003       5.10711994      11.58269995       0.74919157      -0.90384182       0.06616941
Cl       4.26296003      11.22640001      10.77389995       0.69918846      -0.17427672      -0.10006787
Cl       7.15210995       9.01683999      10.95029999      -0.53440148      -0.02728866      -1.44016936
Cl       4.51567994       1.29665997       2.00825995       0.20708153       0.03321953      -0.44058354
Cl       4.05919999       4.41079000       3.42372999      -0.48931238      -0.36526273       0.12792623
Cl      11.91469998       8.40697001       3.04510996      -0.27450863      -0.30670021       0.14951615
Cl      10.14470005       9.78824001       0.27593802       0.08594620       0.31752181      -0.47138696
Cl       3.85715002       9.58434000       6.36905005       0.14422020      -0.94461088      -0.14741504
Cl      11.81200001       4.62144000       2.84700996      -0.67648177       0.05936354       0.29229842
Cl       8.92967994       2.12577999       7.37679000       0.55757823      -0.08010986       0.68288015
K        3.03013005      11.50070004       8.02939994      -0.62026689       0.70952326       0.64090435
K        6.02962005       8.10520005       8.02565005       0.05911564       0.41659036       0.18356785
K        3.13113001       3.77085003       6.20147000       0.28758200      -0.17104727       0.20431279
K        4.75343994      11.40760001       4.30476006       0.03345872      -0.13670387      -0.05376556
K        9.70093005       8.27279004       9.36442999       0.32571323       0.38612142      -0.21454909
K       10.87150001      11.86939301       6.68735996      -0.29425752       0.01768556      -0.47012988
K        6.97434002       4.17811998       8.24820994      -0.68325471      -0.33643536      -0.54789099
K       10.22089995       0.32553896      10.51269998       0.28915769      -0.11669668       0.25636939
K        1.04193005       8.88676996      11.65880000       0.07226565       0.24797185       0.36184102
K       11.17050000       3.50354999       8.92928002      -0.30204115       0.43609053      -0.71887083
K        5.69298995       6.38990995       2.36955001       0.44014206       0.98963201      -0.06325714
K        9.01865004       8.54025998       4.66864994      -0.05210644       0.09766522      -0.28918518
K        2.00771000       6.35575003       2.14281002       0.12393102       0.97570028       0.36714064
K        1.51152994       2.18473003       2.85338003       0.02980716      -0.22801695      -0.00188007
K        1.35779004       7.35559998       8.18601997       0.08128218      -0.07698133      -0.16151342
K        9.50038002       3.05266003       4.51975994       0.28307989       0.03752702      -0.06146836
Li       6.83993997       0.05089732       1.41017999      -0.17101917       0.79063619       0.06193304
Li      11.07579994      10.48030005       2.28802006       0.22590588      -0.00390558      -0.00884655
Li       4.55581996       9.58300004       0.42594204       0.02043375       0.21033717       0.64629639
Li       7.97358998       9.16857994       0.84822004       0.68506114       0.53356730       0.96820436
Li       3.92013994       7.52436003       5.48871996       0.34025555      -0.11451568      -0.13103277
Li       8.00280002       3.45518006       0.18776404       0.28033168       1.42092473       0.41120436
Li       0.59594698       3.43146002      11.21350002       0.02133056       0.84412101       1.28472383
Li       6.11540002       0.52735904      10.25699996      -0.29229114       0.07055870      -0.63050026
Li       5.93112999       3.28112996       3.36017000       0.07242881      -0.86634659       0.45171127
Li       6.94628997       0.62679106       6.53600998       0.72819792      -0.83623089       1.31851902
Li      11.79579999       6.41848995       4.52912999      -0.19434585       0.14321864      -0.00382635
Li       2.65114997       0.39219796      11.48529997      -0.96253961       0.75787472       0.42628557
Li       4.29160995       3.20602994       0.83586797       0.59736754       0.12866725       0.20933218
Li      10.20190003       5.46293999       0.90010195       0.37477315       0.02626047       0.16700441
Li       7.55118002       6.68017999      11.33350003      -0.10550778       0.05108326       0.16954505
Li       3.79719000       5.32323002      10.60270005      -0.20747984       0.53062300      -0.27413445
64
Lattice="11.60236575 0.0 0.0 0.0 11.60236575 0.0 0.0 0.0 11.60236575" Properties=species:S:1:pos:R:3:forces:R:3 energy=-547.34580944 stress="-0.024032783932881115 0.0036984226539526354 -0.002252117671145586 0.0036984226539526354 -0.019690366037327215 0.0031090856247251515 -0.002252117671145586 0.0031090856247251515 -0.021254726481401424" free_energy=-547.34580944 pbc="T T T" config_type=wetmd 
Cl       9.82688995       4.53822998       0.44823420       0.35410592      -0.71396419       1.19540150
Cl       1.08779001       2.58743001       6.78010000      -0.14915058       0.33165673       0.63219055
Cl      10.64040003       0.58953430       0.58551896       0.76164803      -0.59709487       0.46671906
Cl       4.86771001       9.31360999       9.96198998       0.34027845      -0.13279445       0.06116923
Cl       1.91636994       9.79346005       7.69084000      -0.08448198      -0.56452783       0.51784486
Cl       4.14792001       3.86410004      10.44799997       0.22000788      -0.95219826       0.70724675
Cl       9.47312999       3.87500998       8.13079997       0.26824315      -0.20227368       0.28269733
Cl       7.75480001      10.54619996      11.43250004      -0.28967555      -0.09620296       0.01697393
Cl       4.56283001       9.97768995       6.09569002       1.22166812      -0.65802446      -0.07314929
Cl       1.25349999       5.61048001       9.56351996      -0.08023951       0.41158358      -0.21313086
Cl      10.13670003      11.29899997       8.64119999      -0.35582099       0.51451084      -0.15503283
Cl       2.42748003       6.70587003       4.26809001       1.00333948       0.23655166      -0.85726661
Cl       8.61584998       7.05543005       3.07776003      -0.21303555       0.62391449      -0.91557874
Cl       6.60088997       5.79219000       5.55724000       1.64465105       0.43427535      -0.47190033
Cl       4.56564996       1.50509996       1.35495003       0.28929202      -0.12287362       0.97430474
Cl       6.57953002       1.17141000       5.50017005       0.59919375       0.04966546       0.54420009
Cl      10.83479999       6.37653004       5.63637997       0.06812382      -0.51038418      -0.12788577
Cl       8.57275995       9.30614004       6.08213996       0.23022433       0.77444477       0.77588833
Cl       7.49392998       5.45592002      10.13560001      -1.27867537       0.36969032      -0.37548796
Cl      10.63020004       2.08595998       4.32441996       0.54426471       0.02594132       0.67230742
Cl       5.88577004       1.02768999       9.31966004       0.51058154       1.25570994      -0.26401448
Cl       2.55734995       0.42105995      10.10560000      -0.64093397       0.44038301       0.32491356
Cl       4.76498998       6.56015998       7.74660004      -1.18082620       0.08371000       0.68415749
Cl       4.56551004       5.51387001       2.30899006       0.29934490      -0.50586364      -1.03875630
Cl      10.25119995       8.26922002      10.54069997      -0.13656349      -0.84773286       0.15915869
Cl       1.22570002       3.33731005       1.34269004      -0.01418598       0.02759122      -0.42478092
Cl       7.83045997       2.00002996       2.48084001      -0.79148536      -0.22961301      -0.29020662
Cl       2.07906006       9.03618002       0.58603422       0.43967298       0.78145298      -0.27072233
Cl       0.31362100       9.81830002       3.80485998       0.31862369      -0.13877270       0.19838153
Cl       3.06779998       0.42996198       4.31358996      -0.23017548       0.61289951       0.28771822
Cl       6.72486995       9.83008002       3.13946002      -0.22177322      -0.23841233      -0.09546211
Cl       4.17031002       3.78243006       5.88948001       0.00662724      -0.74425452      -0.60107029
K        1.99404999       5.38215996       6.56464998      -0.58740876       0.18601991       1.32972362
K        8.74012999       1.70164995      10.59340001      -0.29300628       0.37490898      -0.58962673
K        1.89272003       3.59022005       3.98995995      -0.13015897      -0.22479703       0.48705511
K        3.60414996       0.90377997       7.37019006       0.02176300      -0.02283897      -0.19933435
K       11.05410002       8.31924002       7.65998002      -0.19039566       0.13483794       0.50453290
K        0.14743428      11.59260004       6.30852996       0.00265323      -0.48333657      -0.76602453
K        6.62021998       3.64161006       7.40144996      -0.08332043      -0.20742912       0.47882033
K        9.59193995       9.56201002       2.23079000      -0.15412105       0.20616272      -0.39310605
K        3.82788001       9.39416997       2.87938997      -0.28714768      -0.27729314       0.72188676
K        7.24070000       7.80658995       8.50824998       0.24739468       0.01859265      -0.24125584
K        6.48494997       7.32473001       0.58590996       0.09668492       0.25775013       0.29447391
K        0.51952702       2.78195005       9.90362997       0.07588163      -0.22463653       0.16613747
K        6.63070005       3.42163001       0.36181699      -0.10232314       0.54297730       0.26693142
K        1.88323997       0.30303430       1.83991998      -0.85069578      -0.06164970      -0.83828136
K        0.63273420       6.79462999       0.83038004      -0.57702328      -1.09392713      -0.04792167
K        9.24190006       4.57064002       3.76265998      -0.21656956      -0.65092790      -0.04297304
Li       7.84685005       7.64103997       5.09726004      -0.20981503      -0.89656762      -0.72344388
Li      10.08970001      10.39659998      10.58410002      -0.03712910       0.35493214       0.50615580
Li       4.80795006       5.96688995       4.42905995      -0.56548249      -0.17396663       0.30357325
Li       4.03353994       8.78780005       7.91307995      -0.13883246      -0.20963836      -0.37922548
Li       0.65526901       7.69639997       4.52908998      -0.93761079       0.72909269       0.02089895
Li       6.74384005      10.52060004       5.33572996      -0.32007789       0.12491604       0.13698387
Li       3.33193004       3.80830995       1.11999006       0.48627859       0.14801819      -0.37532926
Li       2.43098000       9.80606997      10.01100000       0.03926482      -0.10983897       0.12976684
Li       4.75240002       1.82105001       4.62510002      -0.05212035       0.33968821      -0.23820290
Li       4.38222004       1.29796002      10.88470002      -0.33587222       0.18200050      -0.74172381
Li       9.57364998       5.18055005      10.14160006       0.57388880       0.49463881      -1.00076727
Li      10.32609995       2.76132000       6.47348996       0.46117558       0.00150847      -0.02053829
Li       6.32278997      11.47340000       1.79480999       0.43675367       0.78301282      -0.30454705
Li       9.78888999       1.31214995       2.59050000       0.31352023      -0.28190321      -0.77123171
Li       3.47805000       5.32029997       9.18048003      -0.21416447       0.94890295      -0.36140419
Li       6.68881003      10.72709999       9.33145002       0.07514843      -0.62820320       0.36116935
64
Lattice="12.2766937 0.0 0.0 0.0 12.2766937 0.0 0.0 0.0 12.2766937" Properties=species:S:1:pos:R:3:forces:R:3 energy=-546.6992895 stress="-0.007114495113721236 8.271663578128278e-05 -4.9246037531494604e-05 8.271663578128278e-05 -0.008547562810623183 -0.004173260259322341 -4.9246037531494604e-05 -0.004173260259322341 -0.004218033718795356" free_energy=-546.6992895 pbc="T T T" config_type=wetmd 
Cl       9.73385000       4.11072002       0.48025296      -0.74576709      -0.04859223       0.84533246
Cl       0.11466604       3.28889003      10.04339996      -0.57411697      -0.01402291       0.07902251
Cl      11.11190003       9.81823999      12.18599999       0.59088578       0.39295105      -0.28931227
Cl       6.54197004      10.62580005       8.95594001      -0.18818447      -0.09284853       0.70927652
Cl       1.52444997       9.01220999       8.60487997      -0.77763755       0.10166685      -0.17882282
Cl       1.95548002       4.52343999       6.29015001      -1.20167027      -0.05607570      -0.88373026
Cl       9.98073996       5.06483003       7.17288001       0.33204841      -0.29002485       0.01433690
Cl       8.72762997       0.56201599       1.86709004       0.69187804      -0.80543577       0.03679774
Cl       3.81381002      10.79340000       6.67516996      -0.19558606      -0.20812860      -0.73947305
Cl       0.86460801       6.50900000      11.80070001      -0.83578880      -0.33095171      -0.31065371
Cl       9.70232996       0.40065506       9.26089995       0.63095544       0.76312567       0.92719321
Cl       3.35592004       5.29056995       2.50487004       0.06665881       0.38875189      -0.45264139
Cl       8.61491997       9.09573005       2.37226997      -0.49504213      -0.78493616       0.13070846
Cl       9.33444005       8.01788999       5.67251998       0.25500812       0.29305001      -0.14748320
Cl       5.27902003       7.71078998       5.00980994       0.03452876       1.38841990      -0.34160022
Cl       6.85336003       3.53140003       8.49875004      -0.20641818      -1.50287193      -0.11175932
Cl       0.85036999       7.39632995       3.73535998      -0.21678352      -0.02491936       0.34225620
Cl       7.90924997       0.42425098       6.34406998       0.47688566      -0.29977021      -0.30442756
Cl       6.70831003       6.60656006       8.50211999       0.32356020       0.86730712      -0.52395475
Cl       4.31272000       1.63137997       1.93129002       0.03522449      -1.10674496      -1.03397741
Cl       3.30781001      11.90110004      10.94760006       0.44287619       0.29117060      -0.38113388
Cl       4.20152004      10.19360003       2.28791005       0.01249680       0.45993609       0.51667288
Cl       7.53322994       5.43673994       3.59514001       0.04023484      -0.97740426      -0.52133111
Cl       3.81649002       5.12846001       8.70571005      -0.54368912      -0.00522032       1.17594761
Cl       9.93299995       7.72207999       9.31450994       0.57644315       0.00744534      -0.04397093
Cl       0.69226803       0.94317197       1.20216000       0.12297419      -0.04716557       0.10281974
Cl      10.43079999       2.50911999       4.03402002       0.44759999      -0.29889293       0.28858172
Cl       4.62540996       8.55873004      11.29720003       0.32775578       0.24143034       0.31715670
Cl      11.99410005      10.50119995       5.32925000      -0.26176338       0.24168981      -0.08034382
Cl       1.76229004       0.99216703       7.18417997      -0.52689762      -0.12519465       0.68257850
Cl       6.02521000       4.65517002      12.02899999      -0.12977593       0.60879280      -0.73423482
Cl       5.07872000       2.93595006       4.95678997      -0.00186922      -1.03856583      -0.42574097
K        0.55711096       6.19198004       8.44567998       0.11773094      -0.54203217       0.19687209
K        8.85105997       4.79224999      10.03700000       0.35288147      -0.17323852      -0.02022963
K       11.41760002       2.11698005       7.30740004      -0.23217925       0.57849352      -0.01599339
K        4.57539005       1.27828004       7.74361994       0.27412021       0.21799693      -0.24290694
K        9.86110996      10.44699995       7.77247005      -0.12455791      -0.91337756      -0.66380438
K        8.01085005       3.32855001       5.74491000      -0.19036617       0.03816206      -0.02023166
K        4.57346003       5.33617001       6.02613001       0.48439133      -0.12069920       0.41572220
K        2.16706000       8.65127004       1.06145006      -0.29284653      -0.26232814      -0.21030134
K        5.70521000       7.16853995       1.78855995      -0.11678978       0.13074911      -0.13812234
K        4.36718002       8.23153000       8.22929000      -0.20054961       0.29231786       0.13399596
K        7.51193000       8.23475005      10.64400000      -0.22585703       0.46537289       0.77315640
K        0.42021097      12.25419997      10.52439996      -0.42077552      -0.03446063      -0.20058682
K        7.15748000       3.03017994       1.69656001      -0.01930538      -0.26044790       0.48798712
K        1.97231002       0.44694801       4.47646003       0.25112105       0.04492264      -0.63565692
K        2.78719999       3.22533002      10.92939998       0.66574541       0.33258295       0.25743285
K       10.33630002       6.23070000       3.08694995       0.01263713       0.00672048      -0.21137001
Li       9.68424001       0.32050298       4.54007995      -0.66680353       0.12063728      -0.11234909
Li       9.78658994      10.57239999       1.38405996      -0.48319914       0.62771518       0.27719191
Li       2.05333006       5.41131994       4.20308004      -0.62640188       0.31575224       0.44428921
Li       1.46918005      10.17009998       6.62939004       0.69770862       0.37259476       0.71477082
Li      11.85330000       8.15164003       5.49337000      -0.38873172       0.12786286      -0.33003522
Li       7.41690999       7.24391001       4.53426006       0.21218133       1.32585125       0.42132451
Li       3.02713999       0.16394505       0.73066302      -0.03579721       0.09098075       0.87993011
Li      11.47000001       8.11860995      10.94899997       0.48864273      -0.53261014      -0.08935392
Li       3.78419004       3.27692995       2.98664998       0.29920778       0.38558480       0.95263407
Li       5.48155994      11.06179995      11.29230003      -0.52905795      -0.69177866      -0.33652551
Li      11.58670005       4.28308995      12.00439995       1.64968354       0.33895109      -0.76036377
Li       8.51196001       6.85659997       7.40326997       0.91701062      -0.14536046      -0.07194981
Li       4.43487997       9.99281998       4.68667005       0.41132351      -0.36529379      -0.39454650
Li      10.85709995       1.51752997       1.95539003      -0.27330879       0.28171063      -0.11968096
Li       5.83213002       5.11727999       9.71550003      -0.80006146      -0.66765484       0.52274855
Li       7.58786995       0.21405901       8.78885003       0.28517886       0.62635178      -0.56813728
64
Lattice="11.95642506 0.0 0.0 0.0 11.95642506 0.0 0.0 0.0 11.95642506" Properties=species:S:1:pos:R:3:forces:R:3 energy=-547.56391441 stress="-0.01422431594253357 0.00032716383649280124 -0.0008416501417469691 0.00032716383649280124 -0.008207086596628986 -1.7476025824181095e-05 -0.0008416501417469691 -1.7476025824181095e-05 -0.012463941553477948" free_energy=-547.56391441 pbc="T T T" config_type=wetmd 
Cl       1.79197004       1.62063997       1.68485004      -0.02819096       0.34721992      -0.13754476
Cl      10.14900002       3.99687997       0.62043695       1.51048143       0.07344407      -0.57447744
Cl       8.37807998       1.16204997       9.27828999       0.52328180      -0.38788195      -0.28994247
Cl       7.12445001       3.55549001      11.10699997       0.37456879      -0.57650773       0.09010515
Cl       0.61177596      11.71469998      10.12060005       0.04857026       0.35123517      -0.37417917
Cl       1.52312994       3.60537999       5.41923005       0.07062320      -0.47215661       1.03497873
Cl       1.57801998       7.91142000       5.47505006      -0.16122528       0.39676419      -0.06242990
Cl       7.51505996       5.63311997       2.50692995       0.58535932       0.63913948      -0.10273423
Cl       7.28332998      10.48609995       3.29949996       0.58615044      -0.01273384      -0.17538513
Cl       1.55586998       5.03511997       2.66587998      -0.44959695       0.01522138      -0.38680844
Cl       9.98753998       0.26692504       0.46830997       0.21755223      -0.06054218      -0.25801317
Cl       5.10533001       3.74403996       4.26530997      -0.41730067       0.26032481      -0.46993547
Cl       4.38261003       7.42287999       3.68595003       1.51545072      -0.23943692       0.54548958
Cl      10.26139998       3.13000998       6.50298995       0.02927331      -0.35447905       0.21411171
Cl       4.99127995       9.84764000       6.27073006       0.26803550      -0.70119618       0.06695851
Cl       5.99108996       5.99571996       7.72067998       0.50264630       0.26802017       0.47219422
Cl      10.38010002       8.21020006       7.98789999      -0.07120677      -0.40954119       0.54181363
Cl       5.96405995       1.27006001       5.94934996       0.61561421      -0.86944679       0.01284932
Cl       5.18965999       9.77268003       9.75984995       0.79141414       0.02310359      -0.13587942
Cl       4.85038998       0.09887497       2.11115004      -0.35119742      -0.27011818       0.39427035
Cl       3.68251997       2.44385000       9.47041001      -0.98405754      -0.14576787       0.34317265
Cl       8.67846005       8.63446998       0.67091196      -0.06190263      -0.24146382       0.18831991
Cl       4.49378003       5.13746003       0.62389200      -0.29089730       0.04380744      -0.79087452
Cl       2.40762000       8.13776995       8.69725998       0.01468353       0.16835326      -0.30023935
Cl       0.76979004       8.07615000      11.66669996      -0.57746976       0.01071903      -0.45798841
Cl      11.21559994      11.67330002       3.70606002       0.17782554      -0.04407744      -0.46808562
Cl       9.06866994      10.97020006       6.30651002      -0.17574166      -0.18434017       0.01687369
Cl       2.16612998       9.31803004       2.49866005      -0.74351861       1.07232426       0.00239818
Cl      10.32200005       7.72521996       4.55059003      -0.41492448       0.37048113      -0.56216775
Cl       2.48552005      11.75370005       5.19064999      -1.05619953      -0.26943710      -0.80674531
Cl       0.44474099       5.33638996       9.63347998      -0.70124624       0.23047520      -1.12347192
Cl       8.31957995       2.24923001       2.95254005      -0.35252831      -1.23262262      -0.58043682
K        1.80054005       4.39884004      11.72659997       0.43364900      -0.22222539       0.69033249
K       11.90630002       5.73063000       6.66776001      -0.48619970       0.28987387      -0.19280984
K        0.68275300       2.70020998       8.51226001       0.15671486      -0.40193511      -0.17486928
K        3.57224001       5.75521994       6.41710001      -0.49126999      -0.15502249      -0.53365658
K        7.45791997       8.43057000       6.98135002       0.74350837      -0.02237056      -0.10810575
K       11.07860000       6.89324001       1.71140000      -0.12570534      -0.42599077       0.03433743
K        8.08407006       4.07615000       4.90369004      -0.56907887       0.82474617       0.67825575
K        2.79621003      10.06880003      11.27649999       0.00149787      -0.13758333       0.36774929
K        7.02544998      11.05279994      11.83280005      -0.11270625       0.06968056       0.11291301
K        3.73764005       0.15457493       7.41801002       0.42279826       0.33412277       1.78790889
K        7.15757003       6.29888995      10.83660004      -0.27020082       0.55242506       0.19126841
K       10.37530000       9.71223995      10.61589998       0.12315101       0.32071713      -0.04048746
K        6.03643004       2.83944996       8.18460004       0.94356302       0.81274617       0.52998826
K        0.18657499      10.37539995       7.41418994       0.26221354       0.17915891      -0.38836590
K        4.87672998       2.19942002       0.37027494      -0.28088326       0.68010768      -0.48661544
K       11.23780003       2.77288998       3.24113001       0.32837092       0.18864345       0.19052960
Li       9.40999001       1.03580005       7.01535995      -0.41920800       0.33814040       0.38735003
Li       8.70435994       8.78938997       3.05765006      -0.09433614      -0.44102540       0.04999894
Li       2.90490996       3.39994995       3.75263006      -0.00637363       0.10802100      -0.35250620
Li       5.75521994       1.46846003       3.82018003       0.11365805       0.19380713      -0.72250106
Li       3.27890000       9.44598004       4.84071005      -0.16045056      -0.25937147      -0.63412475
Li       0.00687494       9.60823005       4.23397995       0.31162831      -0.71237621      -0.15012292
Li       6.65195003      11.05329996       5.37464000       0.50109337       0.43526806       0.06906674
Li       0.29447491       7.64209997       9.17093002       0.22039221      -0.57188445       0.79564565
Li       8.16784000       3.93380995       1.23157001      -0.87246108      -0.27271996       0.21650181
Li       2.32299003      11.87280003       3.01610005       0.70691100      -0.54228895      -0.02687076
Li       0.29237489       0.03887488       1.40339998      -0.77938913      -0.28619434      -0.30287590
Li       2.43859001       6.93728999       3.20576003      -0.70908069       0.53528869      -0.12074786
Li       5.32148998       5.59476998       2.47458997      -0.02937937       0.27375280       0.95621743
Li       9.19714998      11.82940000       2.47518002      -0.43544054       0.23416525       0.78930863
Li       4.47805004       8.41925002       8.00500999       0.06656283       0.07553229       0.41285859
Li       9.60691006       2.15741997      11.03990004      -0.48787583       0.20590756       0.10823239
64
Lattice="12.47514806 0.0 0.0 0.0 12.47514806 0.0 0.0 0.0 12.47514806" Properties=species:S:1:pos:R:3:forces:R:3 energy=-546.35477901 stress="-0.0016575598567116479 -0.0005648169610340129 -0.0016449022135175573 -0.0005648169610340129 -0.0051244185150451545 0.00035134516550299177 -0.0016449022135175573 0.00035134516550299177 0.00032462396045967816" free_energy=-546.35477901 pbc="T T T" config_type=wetmd 
Cl       8.77984004       6.75688999       2.60514999      -0.02030561      -1.31287273      -0.55803040
Cl      12.20730002       0.69547903       1.35741001      -0.21307644      -0.70035320      -0.28463021
Cl       3.39363000       2.75315003       9.64515997       0.19020826      -0.11399037       0.18150046
Cl      11.87480002       9.81831004      12.35999109      -0.00852337       0.23894941      -0.12495204
Cl      12.09330000       9.96327001       8.45110005       0.02986227       0.66304469      -0.09006794
Cl       5.77206001       4.10843003       3.14678000      -0.97431821       0.12704050      -1.22584959
Cl       3.10844998      11.54110004       5.50330004       0.31204864       0.02179947       0.87641947
Cl       9.51247006       9.62392004       3.49649994       0.55743192      -0.18326255      -0.04252973
Cl      12.45930001       6.92095004       1.62772002       0.07016148       0.12136744       0.08958074
Cl       8.73003002       3.30206004       4.97344994      -0.18899081       0.67715631       0.25590010
Cl       4.67436999      11.33049996      10.46369997      -0.85122132      -0.85188639       0.62157252
Cl       7.25566999       0.43270700       3.31740996       0.16572610       0.07813274      -0.08592129
Cl       4.93325002       6.88149002       1.40413006      -0.14987664       0.57861390      -0.34250936
Cl       8.56412003       0.28513697      10.16339996      -0.03035485       0.37052552      -0.19668610
Cl       7.94837005      11.55040002       6.25541000      -0.29741342      -0.40695747       0.68910191
Cl      10.80499994       6.98681995       5.59981003      -0.07805325      -0.24165741       0.42036098
Cl       1.32623998      10.36009998       3.23412001      -0.89872778       0.01601233      -1.08598369
Cl       7.93528000       2.57142006       0.98407997       0.16704257       0.13228464      -0.94803538
Cl       1.45172999       3.46818996       0.87350700       0.13692049       0.06182607      -0.56317623
Cl      10.57450000       3.69908998       8.46356996       0.51063433      -0.27447985       0.18534227
Cl       9.93691002       5.53270995      11.68630004      -0.08173372      -0.35556920       0.02369487
Cl      10.73559994       3.94865994       2.60964004       0.52261572      -0.24226962      -0.43217398
Cl       5.70110000       9.95037994       3.51555997      -0.47728109      -0.54479331      -0.11154175
Cl       8.37706005       7.87826995       8.38336998       0.24740881       0.02857911      -0.45442683
Cl       3.37327006       7.02749005       9.54976002      -0.05019506      -0.03200942      -0.13711715
Cl       3.80162996       0.74290106       2.05040997      -0.09897879      -0.07522605      -0.04051921
Cl      11.05899994       0.01693152       4.70615005       0.26087321       0.50564962      -0.20153593
Cl       1.79915001       2.83361998       4.34939001      -0.44795320      -0.19632766       0.34416552
Cl       6.53252994       6.74523995       5.15425001       0.18673806       0.82219900       1.14804249
Cl       7.91740000       9.52270005       0.61116299       0.36842250      -0.12383227      -1.17659179
Cl       2.96403006       7.62024995       4.70493996      -0.62661717       0.09270407       0.66728974
Cl       4.91294996       2.17878997       6.06547999       0.15709680      -0.34390978       0.88010648
K       10.92559994       1.87756006      11.27489997      -0.03573977       0.13551433       0.37719451
K        0.69099097       5.67531998       4.59243995       0.29391856      -0.20960500      -0.72370205
K        1.44003004       2.29659005       7.47659002      -0.00612147      -0.20422532      -0.49058801
K        8.15183997       3.28565996      10.04649996      -0.00693270       0.33750709       0.31884938
K       11.23059997       7.40544999       8.94315994      -0.14012842      -1.29927326       0.20701011
K        6.13428005      11.87909996       0.55067898       0.25662873       0.21218977       0.48140925
K        4.31677997       4.67273001       7.42011003       0.06607817       0.39921774      -0.13856243
K        2.21452004       0.43912696      11.85499997       0.20115450       0.35589219       0.30106167
K        2.44894005       8.70207995       0.35132499      -0.12977445      -0.46402379       0.20394348
K        6.15858002       7.79623999      10.06649999      -0.37178305       0.28142856       0.68385388
K       11.86250003       9.73770998       5.39117004       0.02550005       0.14676269       0.07831742
K        2.41146995       9.42538005       7.92725998       0.54795155       0.06825332      -0.20041150
K        4.62077002       4.19454997       0.28755191      -0.37839876      -0.29654353       0.32875132
K        9.40376998       9.93924999      10.33619997       0.14640491       0.26144014       0.20724406
K        5.91676000       0.26045202       8.56313000       0.27226167       0.52763704      -1.01209748
K        9.65859995       1.32037004       6.92177003       0.01876534       0.01489220       0.12190157
Li       4.84364003       7.22289004       3.73290999       0.47901563      -0.02512672      -0.57641864
Li      10.38770000       8.51947996       1.10741004      -0.16590911      -0.47266927       0.37517111
Li       8.72522996       4.67840994       1.19075001       0.36555149       0.31214861       0.06366387
Li       7.17938995       4.96532999       4.27627005       1.02272437      -0.32855608       0.37199069
Li       6.11128000      11.76889999       4.92887000      -0.22970589      -0.11065534      -0.21314854
Li       7.57842003       8.51627996       2.54244004      -0.71728869       0.68311437       0.31386249
Li       0.10571403       2.51546004       2.59110996       0.47859762       0.19648649       0.23818353
Li       9.06146002       1.82988004       3.20327995      -0.08666542       0.45869936      -0.22707423
Li      12.14210003       4.76980999       0.73373906      -0.31548630       0.72546562       0.21492412
Li       2.14145996       0.06756702       3.67869998       0.16859762       0.52076637      -0.11446877
Li       9.05041003      11.61059996       4.17740001      -0.46057458       0.22852393       0.20994425
Li       3.18945000       9.81486004       3.92421002       1.45166642      -0.25301626       0.64406378
Li       5.09353995       2.30752003       3.91309005      -0.30919237      -0.93346297      -0.33589985
Li       9.85131005       5.49865005       4.02419995       0.23840842      -0.32419706       0.33849169
Li       8.73166002       7.86347006       5.93080003      -0.59428741       0.07285507       0.02066745
Li      12.06569998      10.85569994       2.00414002      -0.47480713       0.44607221      -0.34892708
64
Lattice="12.8967107 0.0 0.0 0.0 12.8967107 0.0 0.0 0.0 12.8967107" Properties=species:S:1:pos:R:3:forces:R:3 energy=-545.92759853 stress="0.004870842632882339 0.0008269635649398187 0.0008087101841200453 0.0008269635649398187 0.003799226696343016 -2.672058089240095e-05 0.0008087101841200453 -2.672058089240095e-05 0.0030097752191591584" free_energy=-545.92759853 pbc="T T T" config_type=wetmd 
Cl       7.35177999       5.74729003       1.18632005       0.50042531      -0.13464016      -0.45042469
Cl       0.82392597       0.81602196      11.23200006       0.19978652       0.18755843      -0.37178523
Cl       1.92864002       5.08427000      11.33450002       0.85832151       0.30146284       0.07461738
Cl      11.46689997       7.25573999      11.88499999       0.01367630      -0.28477113       0.05157778
Cl      12.07169999       8.73411006       7.68168005       0.04502350       0.10579851       0.10241701
Cl       4.90493995       4.61215998       2.88414996      -0.50541086       0.00670308       0.62856287
Cl       4.94052997      11.13830004       1.70186000       0.61001513      -0.68800553       0.50949662
Cl      11.78919999      12.54058067       2.75227001       0.03980829       0.19330283      -0.40937743
Cl      10.55190002       6.15630005       3.66056006      -0.25143598       0.54203975       0.12828195
Cl       6.47608998       4.29484003       8.85119994      -0.59992319      -0.11293642       0.19156914
Cl       4.97884004       8.63427998      11.85209996      -0.92603172      -0.19381057      -0.36676612
Cl       8.57323004      12.81590004       0.67975106      -0.07067298      -0.26145772      -0.47590281
Cl       6.39245004       8.21066997       3.29831003      -0.90586608       0.20422024       0.15203565
Cl       8.97234004      12.84500005       9.38673998       0.49733023      -0.09788483       0.59113365
Cl       7.37748004       1.84742995       3.07440005      -0.81078539       0.29792530       0.12629750
Cl       7.56808001       4.47677999       5.55005006      -0.75031295       0.17465006      -0.14280813
Cl       1.05701995      10.34199999       0.93147306      -0.09880581       0.76241351       0.07875698
Cl       5.44442006       1.64022998       0.23406202      -0.66715950       0.69101497      -0.73784062
Cl       1.59912996       6.35233998       2.92674999       0.28464211      -0.01767362       0.54916834
Cl       0.90662200       3.43235006       7.64789002      -0.16894303       0.13141721       1.14380006
Cl      10.56330006       3.76048997       0.54600998       0.31363545      -0.57427387      -0.25150020
Cl      12.86809999       3.45619995       4.53446994       0.08836817       0.46216813      -0.53833697
Cl       9.17896004      10.38810005       3.71361997      -0.06486974       0.10458281       0.01105381
Cl       9.07318006       0.50298397       5.72735997       0.24904647      -0.17185803      -0.00906135
Cl       3.94781005       6.65789001       6.26423004       0.24420417      -0.46199171       0.16592991
Cl       2.63399995       0.92287404       2.85352002       0.34229570      -0.19322387      -0.24844404
Cl       0.61337904      12.68039997       5.58518005       0.42184549       0.09944350       0.55326371
Cl       4.02959003       1.88943002       6.14100997       0.14142422       0.75072860      -0.08788504
Cl       5.41419004      11.72170003       5.45822006       0.32936045      -0.24043430      -0.31718287
Cl       8.25059007       8.93929002       0.07282166       0.21280271       0.23523773       0.11804336
Cl       2.72650999       9.55129995       5.01970997       0.08340831      -0.21194199      -0.71449892
Cl       4.62033998      12.45084072       9.24130003      -0.17934909      -0.02377434       0.64312662
K       11.28889996       0.75018799      12.80091019      -0.29918593      -0.05907485       0.45607892
K       12.80462586       6.11861006       6.38500000       0.00071572      -0.18923783      -0.29566859
K       11.75779999       0.82522905       7.99167003      -0.06673043       0.04700168      -0.44985356
K        7.61921999       2.29731997      11.29230005       0.30793286      -0.08352713       0.01148360
K       12.37170005       4.26197998      10.39330001      -0.55697996       0.15261035       0.16283861
K        6.75513005      10.93550004      11.37669999       0.32821070       0.47913398      -0.01044552
K        3.18365995       2.50332003      10.09019997       0.10040837      -0.18842079      -0.43632931
K        3.56326006      12.00119999      12.35800000      -0.74719159       0.14861229      -0.55360301
K        1.86240006       7.77475006       0.58052299       0.14384060      -0.33443671      -1.09926895
K        3.96285006       7.05525998       9.25111005       0.15688746      -0.16195308       0.37420692
K       12.03330004       9.43548000       3.72517001       0.03016499       0.10017369      -0.06497522
K        1.39296005      10.63890007       7.43448002       0.33854050      -0.06248329       0.09902492
K        2.56583000       3.66995003       0.96290595       0.09005303      -0.31653134       0.59616584
K       10.79999997       9.95496996      10.31469997      -0.11813771      -0.44922952       0.21381782
K        6.81156000       0.87797595       7.70138003      -0.37890287       0.22546927      -0.45245173
K       10.01270002       3.13118994       4.02445997      -0.30530413       0.11937330      -0.09213617
Li       3.65053996       7.45564004       4.09493998      -0.29052493      -0.15550472       0.24690534
Li       9.71395004       5.75575994       0.55372401      -0.12849455       0.81072818      -0.00499416
Li       6.74157006       5.97608000       4.02425994       0.18558313      -0.04632088      -0.54548956
Li       5.56871998       5.09306994       6.75792000       0.49506404      -0.31607409       0.30569725
Li       5.36346999       0.38766906       2.00990000       0.28099271       0.29567355       0.68558375
Li       7.63173005       9.88704002       2.12152000       0.25950629       0.11244947      -0.33634736
Li       1.82292001       2.81650001       5.71915998       0.02526167      -0.40717909      -0.30834085
Li       6.54642000       3.68002997       1.63892999       0.13436772      -0.49588231       0.12923589
Li      12.42959996       5.54779004       2.92749001       0.27114908      -0.74491927       0.03259944
Li       3.27038001      12.80137551       5.24723000      -0.29410954       0.06604575      -0.37057859
Li       9.87348996      12.87980002       3.63115002      -0.66823753      -0.45341815      -0.07568286
Li       4.71632001      10.08930003       3.78880998       0.07601822       0.29057661       0.27060879
Li       5.57368998       2.97211998       4.46694006       0.34122968      -0.25385312      -0.08123073
Li       6.31240996       7.91121996       0.56704000       0.37601025      -0.45486860       0.24528475
Li       7.65494001      11.43770001       4.87887002      -0.10354419       0.50010024       0.43606984
Li       0.97949602      12.15369999       2.31141001       0.53955263       0.24297698       0.21447656
64
Lattice="12.1358955 0.0 0.0 0.0 12.1358955 0.0 0.0 0.0 12.1358955" Properties=species:S:1:pos:R:3:forces:R:3 energy=-548.09145054 stress="-0.008495396801635817 -8.745709316993674e-05 -0.0016285626104674716 -8.745709316993674e-05 -0.013602651141618757 -0.0014871073819628666 -0.0016285626104674716 -0.0014871073819628666 -0.006475461809459952" free_energy=-548.09145054 pbc="T T T" config_type=wetmd 
Cl       7.18225997       7.18957003       1.58188995      -0.33157582      -0.48245765       0.07546947
Cl      10.28049997       0.46148005       3.39068000       0.31781537      -0.20671656      -0.13457983
Cl       6.07558001       5.57393998       9.70245003       0.18732790       0.57902651       0.15426971
Cl      10.76889998      11.09299999       9.70770002      -0.16391520      -0.28523577      -0.37508104
Cl       1.87794997      11.02100003       0.21250451       0.24206748       0.48504152       0.51367908
Cl       2.34818000       3.61652999      11.81739997      -0.42633684       0.18462111       0.10409283
Cl       5.78022994       0.85434398       3.38430999       0.14739869       0.06860978       0.31384249
Cl       4.93528994       1.19460998       0.03550453       0.03785811       0.56963721       0.32042280
Cl      10.98589998       4.30103005       2.28471995       0.94543350       0.33001544      -0.63704135
Cl       5.38659998       7.14632995       5.07639994      -0.30748318       0.28770276      -1.22004584
Cl       5.00307996      10.41730003      10.52330004       0.32147626      -0.90606433      -0.17882595
Cl       8.33003996       2.17205005       1.33546998      -0.68194795      -0.53423255      -1.36258183
Cl       4.31358003       9.79194995       2.62543995      -0.45516079       0.44746999       0.14759073
Cl       2.10323006       2.62595997       5.99992994      -0.63080534       0.08735032      -0.85897562
Cl      10.76449999       2.65164996      10.72379996       0.02873220      -0.39904498      -0.68749946
Cl       9.43695996       6.48479003       9.53637006       0.00880510      -0.41889087       0.51642717
Cl       7.84715001      10.39679995       4.49994005      -0.24145950      -0.73216103      -0.47311857
Cl      10.64470001       4.55722002       5.95721996       0.99446079      -1.10207761       1.32830463
Cl       1.94099000       6.87986998       1.86454005       0.34792331       0.05157835      -0.66764066
Cl       7.18617999       0.92175803       9.54208995      -0.24891002       0.13490431      -0.00447291
Cl      10.18069994       8.94192004       2.02760001       0.73270231       0.17399595      -0.46455399
Cl       5.34483005       3.40530995       6.98261005       0.47829151      -0.62006190      -0.15114449
Cl       8.66185998       0.95533806       6.47827002      -0.09043452       0.43051281       0.71812061
Cl       1.36247005       7.71591996       9.16895000       0.13751058      -0.11662532      -0.06327335
Cl       7.20936998      10.76729998       0.96024205       0.38051493      -0.37575387      -0.15766772
Cl       8.02484998       3.69331999       4.10875997      -0.18204821       0.60688962       0.00632516
Cl       3.19166006       0.93308398       9.01164998      -0.45381422      -0.29923797      -0.18057047
Cl       4.48090005      11.51020004       6.27489001       0.16725322      -0.37428826      -0.17325121
Cl       4.82939005       4.33909004       2.31564998       0.10586372       0.72537894       0.23155627
Cl       9.34526999       7.07964005       5.30708997      -0.22746778       0.52110350       0.00949614
Cl      11.96050001      10.71229998       5.50559996       0.01411641      -0.25348863       0.34967510
Cl       7.81254996       9.91088003       7.86306004      -0.19630090      -0.22418627       0.33508914
K        1.14435002       9.17084004       2.98554995      -0.54369951       0.75993074       0.42447020
K        3.42164996       5.26458994       6.07231000      -0.28855490       0.18843571      -0.04443840
K        7.11421995       7.15731998       7.20187995       0.37477934      -0.31822860       0.61770424
K        7.72697005       8.63277994      11.10249997      -0.02841847      -0.13662395      -0.16967573
K        4.42960999       3.32548998      10.00429997       0.32399781      -0.69094807      -0.35657524
K        4.09823997       6.07165005      11.90490002      -0.00527111       0.31227045       0.25427167
K        1.92350000       4.22800995       2.48871003      -0.40422231      -0.63884731       0.28169970
K        0.32230099       4.87197005      10.12669994      -0.02014031       0.26397622      -0.27273851
K        9.31768001       4.61876006      12.01280002      -0.64781051       0.53148687       0.30468367
K        1.98887000      10.43719998       7.65783004       0.01297651       0.07086758       0.26720565
K       11.17079994       0.13682106       0.12571999      -0.12538134       0.47501518       0.50628635
K       10.73980004       8.48678998       8.16985997       0.12855013       0.31458382      -0.93272807
K        0.13070444       8.99987998      11.55459994      -0.34401968      -0.60036317       0.06911310
K        8.03007994       3.54121001       8.40244004       0.43567773       0.25946788      -0.12088564
K        2.83411995       0.37474699       3.43903002       0.02571791       0.08512967       0.16608681
K       11.44730006       1.92264005       6.80652998       0.20975617      -0.21602128       0.02358351
Li       9.36173003       8.79529002       4.11002004       0.10295146       0.17437197      -0.67127926
Li       8.17595001      11.79850001       2.63934004       0.05838901       0.50863884       0.24273358
Li       8.69031999      11.79690001       8.56734004       0.66962517       0.12897627      -0.07016964
Li       6.81304999       5.57771000       3.29687002      -0.07283665      -0.23566882       0.19116030
Li       3.54278998      11.95040004      10.97830000      -0.56729269       0.45818772      -0.26648355
Li       9.40101004      11.41840000       5.35510005       1.44162623       0.38666099       0.06147332
Li       7.05746996       2.09014004       5.32247998      -0.54599860      -0.01856192      -0.24651386
Li       3.74344998       1.55784000       6.81974997       0.71881888      -0.19001652       0.49424851
Li       7.09474002       0.24129194      11.64319999      -0.16903539       0.61925442       0.08415132
Li       9.87957998       2.54788005       2.79607003      -0.43352683      -0.04836524       0.63096474
Li       6.09105996       2.66723003       1.80712999       0.30186307      -0.77672987       0.14125916
Li       5.75320002      10.29680005       4.42870004      -0.99733918       0.37104818       0.21849324
Li       5.89348005      11.21899995       8.49373996      -0.16622639       0.17733132      -0.08170781
Li       5.33289003       7.89243000       2.62027006       0.10006979      -0.44313865       0.37888070
Li       5.00469998      11.30060002       0.89360397       0.08804145      -0.53562756       0.26706551
Li      10.26160001       5.30838001       4.03048005      -0.59095791       0.41019261       0.27362336
64
Lattice="12.98457698 0.0 0.0 0.0 12.98457698 0.0 0.0 0.0 12.98457698" Properties=species:S:1:pos:R:3:forces:R:3 energy=-545.14859924 stress="0.004567503560466385 0.0004042238487268782 0.0016198835735751114 0.0004042238487268782 0.005410940409098747 -0.0034414471590821505 0.0016198835735751114 -0.0034414471590821505 0.005174950740362221" free_energy=-545.14859924 pbc="T T T" config_type=wetmd 
Cl       4.83109001       7.58127003      11.47609998      -0.21855324       0.18536416       0.44334105
Cl      10.95040004       9.66693005       8.31509002      -0.49901110       0.74731462       0.13207428
Cl       3.24573004      12.90435865       9.60443995      -0.17529721       0.37421555       0.28366193
Cl       8.33596001       0.11437997       7.01872999       0.72564054      -0.08231021      -0.16168446
Cl       2.92120001      10.78039998       1.84819002      -0.13805357       0.16676244       0.58019704
Cl       2.43074995       2.57903005      12.73119997       0.24553490       0.06024791       0.04185703
Cl       6.10191004      12.21600000       0.75262400       0.45907074       0.38326285      -0.34875707
Cl       7.15494002       3.57041003       0.37020795       0.39881118       0.33101297       0.56882198
Cl       9.21267994       6.54478994       6.66101995       0.30795900      -0.04978954       0.07648318
Cl       1.32860996       1.07823005       3.53778005       0.25023060      -0.49644144      -0.52959155
Cl       7.24589996       0.70425203      10.56360001      -0.02326377      -0.28722841      -0.07574434
Cl      11.23290002       3.71840006       0.94616704      -0.45661670       0.50867200       0.02722816
Cl       3.55464001       5.89479007       2.45268999      -0.19555780      -0.33193180      -0.22067642
Cl       0.89122501      10.03289996       5.76735995      -0.27031421       0.44513102       0.01995882
Cl       0.92008894       8.58811997      10.37600001      -0.73854417       0.53274486      -0.10762872
Cl       8.37517005       7.44093000      10.94010002       0.56451775       0.41450454       0.08490529
Cl       8.12690001       9.78908998       4.92063997       0.07590683      -1.41328560       0.26854044
Cl      10.63700000       3.02663997       5.24357003       0.51882894      -0.38557211      -1.02376687
Cl      12.46360004       5.90738004       4.19600994      -0.34194838       0.29169531      -0.70800653
Cl      12.51949995      10.53949998       1.19299995      -0.12801149       0.23343074      -0.41436747
Cl       4.63972994       7.67297997       5.37413995       0.49929743       0.08738364       0.32336182
Cl       8.19315004       3.71841006       8.81086000       1.07569906      -0.27821990      -0.19336060
Cl      12.24080002       0.23649200       6.69500994      -0.65225580      -0.46587197       0.30488092
Cl      10.86520005       0.64613904      11.01060004       0.43329157      -0.31255768       0.06422426
Cl       9.40224996       7.88411997       1.44516005       0.35258055      -0.29899935       0.52171260
Cl       9.67215997      12.75197802       3.40736997      -0.18282978      -0.29223352      -0.28845127
Cl       4.52406995       3.19083995       5.84859003      -0.30135411       0.25166767      -0.27666250
Cl       4.95750006       4.26704999       9.79429005      -1.09223912      -0.30255968      -0.60841558
Cl       1.57143999       5.43476001       7.09848996       0.94055699      -0.53477409       0.22850781
Cl       7.19430003       5.05115003       4.02846994      -0.00918969       0.34386271      -0.55341633
Cl       6.69130998       9.92929005       8.68423999       0.10483618      -0.12096837      -0.38786001
Cl       5.74691002      12.68256104       4.36922004      -0.67250671      -0.10807975       0.09428824
K        4.63659001       2.80701001       2.29083996       0.13802624      -0.06786944       0.11889804
K        1.74665998       8.82808002       0.10837305       0.11408514      -0.37935696       0.02581791
K        1.70369998       7.86380002       4.28818005       0.75829753      -0.72972246      -0.34563591
K        5.01077994      10.49739996      11.32259995       0.22156722       0.39836752      -0.25003609
K        9.39228001      11.54189998       0.60818097       0.01121269      -0.00865734      -0.20637786
K        0.86818401       2.65066999       5.86192000      -0.16859227       0.26071739       0.34421032
K        0.16817702      11.61189996       9.34800001       0.14584979       0.01410340      -0.15610409
K        0.63799005       0.40503804       0.46889606      -0.26443521      -0.37393658       0.15700094
K        5.67544005       1.05737994       7.82085002       0.02103502       0.17556841       0.15432200
K        0.92158606       3.77378006       2.08359001       0.10314503       0.35741025       0.26824461
K        9.85501995       4.89348000      11.23239999      -0.28399017      -0.19840236      -0.00784157
K       11.32729998      10.17759995       3.68297995      -0.48038408      -0.15906002       0.70533340
K        2.91670995       7.10743997       9.36760997       0.79707979      -0.60259209      -0.29534318
K       12.63229995       7.35839003       7.55016003      -0.72284987       0.51107077      -0.06261242
K        6.82211999       6.53848995       8.70835001      -0.08267690      -0.12063330      -0.00132498
K        6.57935995       6.73385005       1.32225999      -0.25717031      -0.03354052      -0.48527929
Li       6.24242004      10.05569997       6.26363996       0.04450459      -0.22733204       0.37315096
Li       7.77887997       7.15715999       5.01977994       0.00532449      -0.00755884       0.04681372
Li       9.06988998       9.25655002       9.61242001      -0.42778444      -0.34797007      -0.18315117
Li      10.09750005       0.87515594       5.28537998       0.11630432       0.01583301       0.52230634
Li       9.29525004       1.28118003       9.56322002      -0.74622528       0.36653233      -0.14059528
Li       7.67492000      11.70830006       4.36203996       0.45491507       1.28348117      -0.35706832
Li       3.95276999       4.40829998       7.62846001      -0.12387990      -0.06720622       0.11457330
Li       4.84077002       5.58946994       4.26086998       0.21708289       0.02890785       0.56498466
Li       6.89496996       1.53785006      12.55609996      -0.07766241      -0.43235135      -0.11352478
Li      10.14229995      11.89400002       7.59069995       0.38930070      -0.26554354      -0.19515672
Li      10.80259997       6.38045999       2.46759005       0.37061755       0.09231522       0.22966325
Li       1.53600002      11.57439998       4.21588998       0.16348377       0.47566716      -0.24395356
Li       3.26763995       2.12545995      10.66279997       0.36842613      -0.03790475      -0.12827041
Li       4.77263994      11.80600004       2.45191000       0.18748480       0.05403667       0.28201434
Li       9.23450000       3.96127995       1.96212994      -0.61870673      -0.52431181       0.04176903
Li       9.87567997       4.17643997       6.72216004      -1.23060062       0.95348898       1.05751765
64
Lattice="11.7520536 0.0 0.0 0.0 11.7520536 0.0 0.0 0.0 11.7520536" Properties=species:S:1:pos:R:3:forces:R:3 energy=-550.83648347 stress="-0.008632469529541647 0.002309635118849938 -0.002612824987990238 0.002309635118849938 -0.014039688463790122 -0.000793769502993362 -0.002612824987990238 -0.000793769502993362 -0.016347787403689473" free_energy=-550.83648347 pbc="T T T" config_type=wetmd 
Cl       9.17108005       1.75670003       9.10635996       0.69442023       0.19751281       0.31204435
Cl       0.24024641       9.58567005       5.49554995      -0.21438714       1.40677573       0.86210995
Cl       0.69501998      10.23970004       9.55543002      -0.06276942      -0.26448701       0.11942374
Cl       2.55783999      11.57870000       0.81998896       0.08964315      -0.55857375      -0.18534951
Cl       4.20357995       9.06415998       3.05416000       0.33582192       0.75275148      -0.20190031
Cl       1.55664000       2.35464005       9.87432998       0.17439351       0.36933813      -0.45752326
Cl      10.96040001       4.75774004      11.60360001      -0.25748618      -0.12084892       0.44981948
Cl      11.17679998       5.20147996       8.08964996      -0.53471819       0.17028731      -0.61690834
Cl       4.74176994       5.01706004       2.49031998      -0.61693343       0.65884467       0.15110512
Cl       1.49197997       3.27905999       2.78166995       0.35537878       0.79099189       0.57855403
Cl      10.65719997       1.21045999       3.42154001       0.04079654       0.61728229      -0.08346313
Cl       8.86043002       2.81997002       5.63378995      -0.13843556       0.97343574       0.35674346
Cl       5.64270000       7.19901000      11.65829995       0.04772436       0.17127087      -0.23578486
Cl       0.27058304       8.65723995       2.23028005       0.44368118       0.14184962      -0.19230431
Cl       3.35336000       8.78699003       7.00258994      -0.42618168       0.80433461       0.20584758
Cl       6.37115997      10.89769999      10.59239997       0.86387418      -0.84062383      -0.41195382
Cl       2.14985006       6.61310996       4.41457996      -0.66843617      -0.40213195      -0.05095847
Cl       8.31298998       7.68568005       8.96112996       0.23630648      -0.05249649       0.16657862
Cl       2.35426998       6.44927999      10.22949996      -0.25175823       0.60263785       0.04835381
Cl       8.15878001      10.02919996       3.44005995       0.18682212      -0.12878968      -0.63142066
Cl       3.46154001       4.02497999       6.17276004       0.03810722      -0.22892832       0.36309447
Cl       7.92343996       4.08325995       2.12942005      -0.08845001       0.72044459      -0.09675345
Cl       8.58296004      10.69660002       6.51287000      -0.05712827       0.25714803      -0.38992572
Cl      10.29529994      11.25120000       0.47765799      -0.48705942       0.01453735      -0.53081580
Cl       9.41535999       6.71314003       5.29709996       0.66867303      -0.86360834      -0.44705175
Cl       6.75821997       4.92463002       8.33993004       0.24674657      -0.86160167      -0.22059510
Cl       5.13939997       1.67466000       3.91078999       0.25642956       0.09993915      -0.29900646
Cl       5.79382001       2.24615003      11.70650005      -0.12788688       0.58362406       0.35049476
Cl       5.80072998       1.07815996       7.82293005       0.45541184       0.04660627       0.16546300
Cl       9.32573002       7.52556996       1.02880004      -0.97734531      -0.15437632      -0.69858029
Cl       5.96859996       7.56548005       5.62175996       0.48326563       0.32979126       0.12196051
Cl       2.41431004       0.31954645       6.63744000       0.03832318       0.58118575       0.24158832
K        6.68239995       7.32434001       2.71473002       0.45244396       0.19100687      -0.09804432
K        0.50055804       1.78015995       0.82720496      -0.89560429      -0.01850631      -0.67278338
K        1.99666004       6.28116004       7.44831995      -0.07284636      -0.13490772      -0.64262153
K        5.76400000      11.39880003       1.52201998      -0.10742511      -0.05436890       0.52675066
K        9.45075001      10.26220005       9.04621001       0.19952682       0.86228718       0.72226309
K        5.19345002       7.30835005       8.56844003       0.27199710       0.12133202       0.47678825
K       11.40730006       7.52870000      10.48619995      -0.45160710      -0.22701416      -0.00124704
K        3.57897005      11.32629997       9.74788999       0.02917835       0.29136360      -0.14794476
K        5.77529995      10.83049998       5.35877003       0.03219834      -0.04439184       0.22023034
K        3.71098005       4.34591001      11.25079996       0.34543213      -0.87339037       0.25681984
K        2.69300001       7.15176005       1.50775005       0.17927985      -0.06358999      -0.27631797
K        2.33141999      11.36310000       3.77553995      -0.29612498       0.15945344      -0.12242085
K        6.24467004       4.80333002       5.26193006       0.16952756      -0.81510429       0.13118473
K        7.79729001       5.15478999      11.24829994       0.26386117      -0.03795064      -0.55572543
K       11.56989994       2.37743997       6.89177994       0.39261898      -0.28842439      -0.02777511
K       10.76470000       5.30516997       2.67412997       0.11679574      -0.03889990       0.27691451
Li      10.23889996      11.09669998       4.28133001      -0.57818786      -0.85467645       0.67060740
Li       7.55779996       8.49252999      10.95710004      -0.40614064       0.10344607       0.31585741
Li       0.49715606      10.44159997       0.04064636       0.70484206       0.17770742       0.42006118
Li       3.07701998       4.26245997       3.91787001      -0.09243291       0.06634631       0.16831945
Li      10.00970001       9.49295998       1.74551995      -0.59138420       0.10876728       0.44365702
Li       1.41393998      10.26939995       7.49692997       0.18513172      -0.39027658      -0.81690601
Li       3.97273001       1.96114004       7.11696997      -0.41779910       0.34580086      -0.37957021
Li       8.21102000       8.28568996       6.00364999      -0.32970655       0.90103147       0.30253138
Li       0.09574645       7.86807004       4.43666994      -0.04890355      -0.93149900      -0.51192875
Li       3.85841003       7.95531999       4.88632996      -0.12424476       0.01777455       0.39485166
Li       8.54367998       2.73124001       3.49114002       0.79372712      -1.52653312       0.52325045
Li       8.96713996       4.96718996       7.41308999      -0.18004477       0.22841969      -0.10449020
Li       0.17214643       4.25315998       9.81493005       0.72034072      -0.78739185       0.23562349
Li       5.77657998       3.21239999       2.17622002       0.17811349      -0.95823587      -0.20022043
Li       8.07573001       1.66009004       7.25909003      -0.77319768      -0.72546817      -0.02428525
Li       7.23249995       1.65699995      10.13960004      -0.41620885      -0.61823044      -0.24631557
64
Lattice="13.38310356 0.0 0.0 0.0 13.38310356 0.0 0.0 0.0 13.38310356" Properties=species:S:1:pos:R:3:forces:R:3 energy=-543.99760931 stress="0.008553726350817066 0.001222724963382514 0.001494539165603583 0.001222724963382514 0.008933853892371066 0.0005300312768114011 0.001494539165603583 0.0005300312768114011 0.007433372878736242" free_energy=-543.99760931 pbc="T T T" config_type=wetmd 
Cl       7.89994994       3.88034001       7.40911003      -0.29842858       0.26820565      -0.62173576
Cl       9.71421994       0.79520595       5.37664004      -0.14206903       0.61112085       0.69493910
Cl       3.38317002       8.70270998      10.27219993       0.02955529       0.34362526      -0.24335516
Cl      10.31600002       6.71981997       9.46513000      -0.00617415       0.23553745      -0.68106207
Cl       1.71891993       3.25375006      10.88520001      -0.19868279       0.41581676       0.12818974
Cl       7.06245994      10.67719995       3.00568995      -0.18700837       0.01450325      -0.20464766
Cl       0.27925706       8.29819002       6.31200000      -0.06752353      -0.12112719       0.33131044
Cl       1.75627994       0.19699099       8.91716993      -0.27371867      -0.51951947      -0.18629335
Cl       4.91098004       6.91690999       5.88157999       0.36426241      -0.23572772      -0.07737794
Cl       9.36751003      11.87450004      13.33409356      -0.10906693      -0.25438816      -0.08352598
Cl       6.49937001       1.71339994       9.60741996      -0.00436286       0.46920325       0.39868539
Cl       1.11336006      11.65709995      12.50150004       1.21455447      -0.44725959      -0.67362294
Cl       6.00056006       5.17891004      10.67669996       0.07838518       0.53849109      -0.58396066
Cl      12.92224555       0.68032605       1.85495998      -0.14551862      -0.20042465      -0.29800238
Cl      11.01049999      10.92049995       9.42692994      -0.06629297       0.12361041      -0.37561054
Cl       3.91370997       0.56427795       2.70051999       0.03270163       0.50181841       0.60322323
Cl       2.27685001       5.81449999       2.74223004       0.18559900       0.00533982       0.08496914
Cl       7.59924994       7.92049996       0.23919701       0.22156361       0.11919028       0.16889619
Cl       7.65531002      12.11909994       7.77564005       0.52164225      -0.06411239      -0.18124292
Cl      12.14089995       9.89825006       1.31018001       0.17788649      -0.48680816       0.25611453
Cl      13.23778955      12.34270002       5.62783996      -0.08823582      -0.58095779      -0.08234420
Cl       2.96431997      10.06360004       4.20665005      -0.12076436       0.08768857       0.24066970
Cl       3.49646000       8.67934000       0.65332497      -0.76260985       0.24007117      -0.47888636
Cl      12.15150003       5.05242994       3.79495995      -0.44582847       0.02764201      -0.06896184
Cl      13.11476056       3.04609996       6.77688994       0.15483977       0.14964975       0.04031775
Cl      10.99209996       2.44447004      10.61409995      -0.93265734      -0.98662151      -0.58175057
Cl       3.72952996       2.78669005       6.85791995       0.21202050       0.65695426       0.17153806
Cl       8.47419001       4.14164002       1.26649997       0.72739668      -0.05261120       0.60439787
Cl       5.51070996      12.17760003      13.34133463      -0.53449340      -0.55461972      -0.02687480
Cl      12.14179996       5.52949998       0.30808801       0.02310340      -0.15600123       0.26090199
Cl       4.98298006       3.88844000       0.29531397       0.10631719      -0.00920200      -0.30329035
Cl      10.29099998       9.12254998       5.89783002      -0.64272304      -0.12316866      -0.16402292
K        2.65454997       0.95258402       0.17176999      -0.30412000       0.09534488      -0.46484454
K       10.30090000       9.18269004      12.26070000      -0.07461987      -0.03391325      -0.33293005
K        9.00310993      13.31229075      10.31640004      -0.20564647      -0.18875420       0.55413239
K        1.94095004       1.25010005       4.98613995      -0.42876589      -0.41194422       0.08219769
K        5.00495003       4.05274998       3.19470996      -0.18473228      -0.27068113       0.10942700
K        4.33740003       9.48597003       7.22704000      -0.19350791       0.20660753      -0.04479557
K        5.11391004       8.26918000       2.99933003      -0.05611470       0.08482181       0.12961744
K        7.79876003       7.09681999       7.03792002       0.02908387      -0.00549040       0.31383284
K        1.10368996      10.33089997       9.22959996      -0.30835221       0.52353490       0.11050509
K       11.85560002       0.33430805       8.03987002       0.76751461       0.31223721      -0.15486573
K       10.60399999       7.50839994       2.88436997      -0.10014587       0.37960115      -0.23390021
K       10.25129994      12.44099998       3.24063006       0.26854443      -0.30449180      -0.62227904
K        1.62713995       5.60714995       5.74303997       0.07898270      -0.18859412       0.14825014
K       10.26449996       4.08286999       5.73155004       0.39353994      -0.73800861       0.42022624
K        8.59100001       4.17384994      10.20510000       0.68838882      -0.05084394       0.07536547
K        3.57327005       6.08803002      11.92929996      -0.44027780       0.19776938       0.22463221
Li       0.75554699       8.71868004       1.18549994       0.74381479       0.34981631      -0.16209134
Li       5.66257005       3.19994998      11.47729996      -0.24306714      -0.69278945       0.15342526
Li       1.93078999       2.40869995       8.62145995      -0.08405240      -0.06439289       0.07536061
Li       7.38835003       5.65683004       0.13011803      -0.43010540       0.15070731      -0.18910804
Li       3.59226000      10.71870002      12.47239996       0.00057349      -0.32530870       0.22249103
Li       0.71790300      10.17850001       5.00402995       0.23150040       0.52039975       0.10612744
Li       4.85949002      11.98379998       2.44120001       0.43137235      -0.31781892      -0.17915737
Li       0.22827894       5.34877000       2.16979000       0.05417650      -0.20212059      -0.52811265
Li      10.85549996       3.89447002       2.06823004      -0.02491337       0.12996492      -0.61195307
Li      11.52149994       7.91277002       7.29751997       0.25487615       0.04900711       0.55632243
Li       9.77736998      11.06340005       7.30754004      -0.13962925      -0.21317963       0.20011927
Li       7.30277993      10.60499998       0.51516504       0.01997974       0.32179448       0.29132110
Li      12.33111360       3.71865994      11.42870002       1.39970409       0.75021795       0.50618045
Li       5.59864003       3.79245999       8.12889001      -0.05687366      -0.56050000       0.11153540
Li      12.85569994      12.03780000       0.30572496      -0.79294207       0.58760398       0.96416687
Li       8.02335996       0.87870005       6.86959002      -0.31785464      -0.10651562       0.10121652
64
Lattice="13.10957829 0.0 0.0 0.0 13.10957829 0.0 0.0 0.0 13.10957829" Properties=species:S:1:pos:R:3:forces:R:3 energy=-545.24921365 stress="0.00669696389318328 0.0012691081579911667 0.001008672114559419 0.0012691081579911667 0.004392941139339337 -0.0007113829369391832 0.001008672114559419 -0.0007113829369391832 0.006457158147042661" free_energy=-545.24921365 pbc="T T T" config_type=wetmd 
Cl       7.08968000       2.43588996       6.38190999       0.44756523      -0.07056715      -0.03462584
Cl      11.15859997       1.47362003       6.48965001       0.45991569      -0.02093413      -0.41447359
Cl       6.81457995      10.33610004      10.40140003      -0.12515328      -0.19445452       0.50969327
Cl       9.57544993       3.86541002       9.19464002       0.10172865       0.30909260      -0.13404253
Cl      12.21719999       7.10659004      10.84630005      -0.12081442      -0.26139127       0.01726456
Cl       7.80081995       0.33582099       3.24989002      -0.31397836      -0.06067392       0.55333627
Cl       4.24341999      10.22990001       7.98305004      -0.30433490      -0.06386152      -0.04382578
Cl       1.59086004      13.02902085       8.41489004      -0.36431949      -0.01830176       0.03779890
Cl       9.09443001       7.23941000       6.73512005       0.40396719       0.25947211       0.12695046
Cl       9.06122004      11.76990000       0.38250695      -0.04920336       0.12156270      -0.71591201
Cl       6.67034995       1.31601996      10.80890000       0.16620226       0.21141997      -0.22788272
Cl       0.76329405      10.83270005      12.33979998      -0.05483069      -0.06113016       0.53235566
Cl       5.04076002       7.05202994       9.63883999       0.12116429      -0.61702144      -0.22572068
Cl      12.09230005       1.70692006       1.89222998      -0.16380991      -0.68172310      -0.39727462
Cl      10.43689999      10.31030000       9.56169995      -0.02284486      -0.90029691      -0.30389097
Cl       2.85522001       2.56522997       2.19231006      -0.37081731      -0.30513962       0.50315768
Cl       2.04766002       7.96457995       4.45019003       0.23451988       0.22323012      -0.30637695
Cl       7.99945995       6.83320001       0.12277605       0.13383720       0.21029876      -0.26813834
Cl       9.18186998      11.44130003       6.13622994      -0.22103428       0.02312658       0.07795183
Cl      11.03949997       8.82710997       2.24722005       0.50123658      -0.46302838       0.39641239
Cl       1.19263995      11.98589996       4.73088996      -0.05244457       0.07879684      -0.48773543
Cl       7.09346998       9.47136001       3.06042004       0.02495144       0.41091367       0.14704879
Cl       2.35080001       7.64307004       0.40617905       0.18207893      -0.54663569      -0.03535336
Cl      12.79388326       5.38585996       3.85634999      -0.47866121       0.08010372       0.04589610
Cl       0.94051602       4.67592006       8.53781999      -0.66761603      -0.97792391       0.64802508
Cl      11.80420003       0.39393601      10.86659997      -0.30691310       0.37775002       0.13296631
Cl       3.26806003       3.65730006       5.53382004       0.17770761       0.34873735       0.16474690
Cl       6.20564004       5.23030997       2.99691003      -0.28959111      -0.01433606       0.04658886
Cl       4.51386994      11.37829998       0.45248103       0.63248112      -0.15716827       0.34978192
Cl       4.98692999       4.04395003      12.18580006      -0.64911871      -0.29381908       0.02343334
Cl       2.46168004       1.39805000      11.28890000      -0.18660982       0.46527684       0.52794331
Cl       0.15087604       9.27822000       7.02081997      -0.43275231      -0.27726665       0.10587428
K        2.06661005      12.68880002       1.41479998      -0.48795540       0.02635297       0.08737363
K       10.40080001       9.12010997      12.37789995      -0.02363462       0.11348108       0.24172749
K        8.97122999      12.68540006      10.31300005      -0.38652107       0.02630216       0.08208166
K        0.84640301       1.84367000       4.66797002       0.24656554       0.15065118       0.02488096
K        2.42109003       5.44155994       2.58510999      -0.10070699      -0.07057918       0.31978782
K        6.94067994       9.26757004       7.21414994       0.03130412       0.25111965      -0.00156155
K        4.69832996       8.17816999       2.14041999      -0.09184813      -0.01638870      -0.04720437
K        8.72011995       7.30702999       9.95993000      -0.13106665       0.01792927       0.03249395
K        4.46444998      12.87287135       9.82652995      -0.15247921      -0.35634115      -0.13973894
K       11.88929994      11.95050004       7.69908005       0.46995183       0.42239526      -0.23065679
K        8.80940995       6.83806000       3.40812001       0.00531820       0.31335429      -0.15894095
K       10.25710002      11.52359999       2.99342000      -0.03481534       0.20445709       0.53377290
K        2.38176995       6.68949006       7.25685006       0.26238190       0.40926724      -0.30603078
K       10.63529995       3.00824995       3.98134995      -0.19307426       0.26276259      -0.15453153
K        6.17555002       3.93189001       8.91949999       0.03420605      -0.16526977       0.42901460
K        2.14384998       4.90181002      11.39310004       0.04791841       0.08626002       0.05351570
Li       0.76534400       8.70211001      12.50840004      -0.25087886      -0.49630094      -0.29440293
Li       3.96727997       2.11950995       0.52075899       0.64995808       0.23318799      -1.51900183
Li       1.15363004       2.07361004       8.97541994       0.14983724      -0.00812983       0.28178332
Li       6.48694000       5.21113996      13.08618333       0.40310613       0.26632129       0.51114464
Li       4.65336005       9.17725003      10.03540001       0.34054644       0.35496022      -0.29034547
Li       1.72389001      10.00299995       5.57989994       0.12506086       0.08804007       0.05676419
Li       6.38687996      11.63320000       3.03508001       0.28790418       0.08032167      -0.24028251
Li      12.77696325       7.85735999       3.79682005       0.10823000      -0.35466807      -0.20875174
Li      10.89650004       0.57879404      13.01093265       0.20641655       0.00271034       0.30167204
Li       9.50214995       2.46765001       7.30095999      -0.76736432       0.63467696       0.61463603
Li      11.01060004       9.09907997       7.14297004      -0.55698868      -0.28194801       0.32822762
Li       6.70617003      10.86590005      13.02249975       0.23212753       0.18708895      -0.44481886
Li      11.55750005       5.14425004       9.35940002       0.43714337       0.05447136       0.07106941
Li       5.31872004       3.79329004       4.63084002       0.06749520      -0.12639652      -0.07565564
Li       0.48499003      12.20330003      10.76220001       0.38848583       0.70366760      -0.71754385
Li       7.78199997       0.29776795       5.72276996       0.27086774      -0.14786480      -0.49245135
64
Lattice="10.62225773 0.0 0.0 0.0 10.62225773 0.0 0.0 0.0 10.62225773" Properties=species:S:1:pos:R:3:forces:R:3 energy=-536.95572436 stress="-0.09189112852394957 -0.0023619299213781166 -0.0002317760072011157 -0.0023619299213781166 -0.08711819205070252 -0.003908508256020609 -0.0002317760072011157 -0.003908508256020609 -0.0818630121343985" free_energy=-536.95572436 pbc="T T T" config_type=wetmd 
Cl       6.32991003       5.71984997       8.39397000       1.20067108       0.96620544      -0.28457928
Cl       9.33315997       9.95549001       4.03545998       0.11938541      -1.07990337       0.30521323
Cl       6.10942000       0.30124224       1.04625999       1.02961828      -1.14199834       1.06405032
Cl       5.85629001       3.44397995       6.70112001       0.64024014       0.34235558      -0.91048088
Cl       2.09625997       6.90840998       1.12247001       0.18324289      -0.39170670      -1.19861994
Cl       7.19398003       1.15700000       4.75331003      -1.03749190       0.52387812      -0.23654279
Cl       4.31943998       8.41918002       8.60154995      -0.52284328       0.79807178       0.24403739
Cl       4.26522005       0.96204227       6.40068996      -1.14247625      -0.78543697       0.26167382
Cl       0.58204226       7.64220000       3.67046996       0.52569423       0.90263519       0.03902533
Cl       9.04138004       1.62384005       1.49431001      -0.19501149       0.55525996      -0.31750983
Cl       6.69141000       0.96301697       8.78657003       0.19382723      -0.13104537      -0.82334536
Cl       9.65446999      10.19150000       9.45016000      -0.18562493       0.27487798       0.38126299
Cl       3.10943003       1.38932004       9.78752003       0.35586790      -0.89932180       1.24392242
Cl      10.03179999       6.06576996      10.56010000      -1.32459881       0.97607714       1.25446204
Cl       9.13848001       8.27243002       7.09019005       0.70741897       0.49248601       0.23969334
Cl       0.09324228       2.43745995       4.04066000       0.58722037       0.11052105       0.10166320
Cl       3.86981001       1.57682997       3.29127002      -0.31190726      -0.22152010      -0.40657017
Cl       7.30215997       7.08353000       0.85934224      -0.34009978       0.40779666       0.17946564
Cl       1.46720997       9.57271005       7.01745000       0.02187052       0.35682689       0.19483147
Cl       1.18261005      10.27850001       1.43001996       0.73362734      -0.19741900       0.44407704
Cl       3.41007997       8.54229995       4.72488997       1.21884851       1.26426389      -0.68765788
Cl       6.44568998       8.95101001       6.16600997       0.20303719       0.12625156      -0.25650503
Cl       6.24525000       4.07193001       3.31776002       0.27650988      -1.59284451      -0.21987018
Cl      10.48010005       5.18963998       5.71516003       0.25235258      -0.22282541       0.44295060
Cl       1.17137000       2.23368001       7.51437005      -0.35096391      -0.12139093       0.55957506
Cl       8.87388000       3.06463002       8.37727999       0.65632385       0.38254506       0.27371471
Cl       3.12481000       4.65613995       5.00013996      -0.06881570      -0.54539730      -0.00936941
Cl       8.33162001       6.48583001       4.14540003      -1.12732351       0.19387756      -0.25511720
Cl       1.47068005       3.41529996       0.85795901      -0.75826270      -0.02982233       0.61354514
Cl       5.27001998       3.71057004      10.42920000      -0.36600607      -1.22496556       0.54367796
Cl       4.87560005       6.88671996       2.84002004      -0.11551502       0.32957729      -0.79789032
Cl       2.24998996       5.87349998       8.59418002      -0.49550237      -0.14664177       0.34880320
K        1.36282005      10.42739995       4.28037004       0.98656637      -0.22535496       1.10106945
K        0.89760595       8.38958004       9.52765999       1.20498632      -0.73951638      -0.37998484
K        7.84253005       4.32127997       0.34974230       0.66108633      -0.43495805       0.62476411
K        8.24339005       3.73378998       5.49725005       0.18335673       0.13385235      -0.33377532
K        3.61881997       4.43199003       2.09780997       0.49347988      -0.13065181       0.75539992
K        5.66945002       6.44510002       5.61211001      -0.58644548      -1.14750504       0.28394466
K        6.81229002       9.04253999       3.26786005      -0.70890788      -0.04101605       0.03075092
K        9.20928001       5.91948001       8.16706997      -0.25749119      -1.03928858      -1.32181820
K        3.85923003       9.43696004       0.80664225      -0.27437940      -0.38106296      -0.16172506
K        9.62790999       0.57294228       6.72928005      -0.30596133      -0.12314133       0.17671346
K       10.50850004       5.36373995       2.61962997      -0.07177548      -1.54926821       0.32821210
K        1.84212999       6.96251997       6.05519996      -0.14861063      -0.48102885       1.07199545
K        4.64626996       6.32316999      10.35830004      -0.62708348       0.69265810       0.58514299
K        9.51037003       8.80352995       1.49565000      -0.32976403      -0.33029143      -0.37749683
K        3.61197000       3.55793999       8.02868001      -0.60352293       0.23092719      -0.07914677
K        7.17328001       8.72493002       9.12206002      -0.31031389       0.02588767      -0.15438941
Li       2.76431001       7.51727003       2.91544997       0.00139104       0.13744427       1.42975538
Li       1.82323002       1.47035002       2.62863000      -0.29153329       1.07654097      -0.09456995
Li       2.55434005       0.60794400       7.96892004       0.04882169      -0.58149460      -1.08088701
Li       6.78920997       5.99431998       2.76383997       0.26769421       0.36263781      -0.52457929
Li       5.23187004       1.47928004      10.26200004      -0.34281902       0.66458388      -0.56432640
Li       4.32217001       9.26391995       6.53669001      -0.42181891       0.43507899       0.34642353
Li       6.02079001       1.47543001       2.80351995       0.21987537       0.78180256      -0.07821150
Li       1.08253001       3.40455002       5.85188995       0.57037437       0.83471013      -0.92225136
Li       8.94673997       1.24452995       3.66865005       0.34149264       1.14822181      -1.13053391
Li       6.35587996       0.37764229       6.56987002      -0.18555150       0.50191426       0.96093767
Li       9.48876999       8.04031000       5.06881998       0.33690104      -0.27763938      -0.16858052
Li       1.28281002       1.43807004       0.39524231      -0.48922339      -0.25029256      -1.53348684
Li       1.13604229       5.19189997      10.40349998       1.84728491      -0.28242117      -0.81067416
Li       6.75744995       3.49831004       8.60727004      -0.39484615      -0.35162088       0.01587591
Li       9.23739001       1.49435005       9.93578997      -0.72747997       0.72064125       0.00661290
Li       5.22971000       2.39842995       4.99856001      -0.64909631       0.34838326      -0.33274770
64
Lattice="11.07520695 0.0 0.0 0.0 11.07520695 0.0 0.0 0.0 11.07520695" Properties=species:S:1:pos:R:3:forces:R:3 energy=-544.22325505 stress="-0.04350471214914885 0.00036337701002608463 0.0005790207758348037 0.00036337701002608463 -0.04615987163954003 0.0004481619883090483 0.0005790207758348037 0.0004481619883090483 -0.04371949271424545" free_energy=-544.22325505 pbc="T T T" config_type=wetmd 
Cl       6.62775005       5.46777994       9.13683996      -0.95597467       1.00698225      -0.08802705
Cl       9.23919004      11.00569995       4.10958999      -0.76587330       0.34429667       0.26514480
Cl       8.32775002       1.04454995       1.12795999       0.76532105       1.39396914      -0.30177040
Cl       5.99883003       1.93065001       5.78631995       0.32595054      -0.26863858      -0.14587581
Cl       1.62538995       5.05846001       1.43958995       0.31186034       0.31560172       0.71939366
Cl       7.36836996       4.08339004       3.37441000      -0.60206117       0.10929288      -0.21033286
Cl       4.35573004       7.88047003       8.30205000      -1.58514486       0.75420989      -0.43866848
Cl       3.63282005      10.59020005       4.55004998       0.09253654       0.84738873       0.16414359
Cl       0.77189308       8.43503998       2.79782000       0.00955517      -0.22840798      -0.07200169
Cl      10.22719995       3.35377002      10.99239995       0.38820740       0.01704957      -0.34024831
Cl       5.21685994      10.32069995      10.58500002      -0.93770716       0.77099938       0.01230488
Cl      10.27339995      10.33620003       9.80242999       0.36706394      -0.22171212      -0.39753232
Cl       2.45792998       0.64812399       7.62804004       0.17519195       0.02480892       0.53029555
Cl      10.11410005       6.98572001      10.79309994      -0.46368327      -0.13671498       0.25922547
Cl       9.16260997       7.38113004       7.45895995       0.12211170       0.54469605      -0.17072507
Cl      10.22070002       2.93307995       3.54162004       0.92950234       0.29786848       0.64382683
Cl       5.32980003       1.91345996       2.15960998      -0.58855796      -0.30281469       0.28861366
Cl       6.98253002       9.51789995       1.95550997      -1.52261581      -1.11070964       0.42349985
Cl       0.97444898       9.02995003       5.71782999      -0.65015468      -0.28765480       1.65057933
Cl       1.89541003       8.50499995      10.84829999       1.20028053       1.04441990      -1.09925985
Cl       5.34481004       5.17855003       5.92748000       0.20665119      -0.52494726       0.25763936
Cl       6.88143996      10.31660002       7.83578999      -0.08177973       0.30486270      -0.29210468
Cl       6.46448001       6.20773003       1.41603000      -0.00208148       0.78323278      -1.20055825
Cl       0.10689302       5.81897996       5.12012997      -0.24170917      -0.69867143       0.24359967
Cl      10.01400000       2.51951998       7.14458998       0.62921273      -0.29171904      -0.32375841
Cl       7.49712998       2.51012998       9.13322999      -0.11998156      -1.52242051      -0.94709839
Cl       2.89865998       3.31044005       4.77865997      -1.16101931       0.10581885       0.56645478
Cl       8.68961003       7.73405004       4.12353999      -1.25323861      -0.09179443       0.07883482
Cl       1.34718995       0.71729309       1.45829000       0.18443356      -0.04222199      -0.31617744
Cl       3.69593002       3.34541998      10.56680002      -0.21177001      -0.59013964       0.84818903
Cl       5.02871998       7.63082999       4.19239001      -0.75479462       0.82257477      -0.37038762
Cl       2.04338000       4.89909000       8.29351998       0.06334314      -1.38610196      -0.37230156
K        0.79362197       0.34349300       4.36074002       0.77236520       0.86134514      -0.15892822
K        0.82759307       7.21847999       8.36929002      -0.43403981       1.58928084      -0.00368528
K        6.78937996       3.68486001       0.22839303      -0.18974840       0.06209240       1.52305782
K        8.37802005       4.84699001       5.77622003       0.11155525       0.23298632       0.43205784
K        4.72871998       4.94950999       3.15577999      -0.69481321      -0.34291406      -0.14839159
K        6.42818999       7.59736005       6.68365005       0.75736617       0.04152299      -0.21405858
K        6.56208005      10.31160000       4.65166002      -0.36557530      -0.14762843       0.43781356
K        9.20513998       4.97644998       8.85821998       1.03871273      -0.55484386       0.04466660
K        3.57550995       9.28553004       2.09322995       0.16402985      -0.16093313      -0.47324420
K        9.43919001      10.38269995       6.93551000       1.12989236      -0.39767413      -0.03527869
K        9.37564002       5.61997001       2.29131003       0.84530208       0.03698277      -0.53637701
K        2.75363003       6.42805000       5.61623999       0.61785576       0.22869205       0.35814631
K        4.08870005       6.44947001      10.64440001      -0.08415232      -0.38148721       0.14347886
K        9.52161003       9.67945997       1.52772003       1.87331684      -0.79478066      -0.11969076
K        4.83828999       3.47890004       8.06188004      -0.21154142       0.02398746      -0.57946820
K        7.25083997       8.21913003      10.16209999       0.23416193      -0.08006406      -0.20391818
Li       0.89652803       7.18820004       0.94965802      -0.61668490      -0.65115219       0.74991651
Li      10.45189995       2.00348002       1.65814997       0.08590550      -0.22424074      -0.61624801
Li       1.43204995       2.62706999       7.12154003      -0.16550962       0.38141805       0.09298600
Li       6.77669995       7.59906995       2.98357005       0.31445021       0.06214672       0.12108627
Li       3.30719003       1.77254999       1.17809302       0.06512428       0.40529021      -0.58858119
Li       2.68753995       9.67658995       6.42725004       1.93779471       0.82832124       0.93560160
Li       6.41173999       0.23639309       1.13000004      -0.92744318       0.24607652      -0.56169476
Li       1.02379003       4.18546003       4.02829000      -0.33087802      -0.16028657      -0.71565871
Li       8.04594005       2.14925998       3.49587002       0.36574620      -1.16645316       0.02637543
Li       7.82351999       1.81576002       7.13890995      -0.23886200      -0.23187753      -0.36933698
Li      10.66130000       7.90707999       4.76549000      -0.18687852      -0.46182015      -0.63037020
Li       1.41398995      10.76100001      10.31680004      -0.00499785      -0.17879340      -0.05657893
Li       1.24177003       4.36510997      10.38460002       0.05854071      -0.48857471       0.28006684
Li       5.15144003       0.42689308       8.57768997      -0.21639995      -0.36161462       0.14310528
Li       9.03036004       0.95832603       9.93872005      -0.34989258       0.99494624       0.25980716
Li       4.10962001       1.80240000       4.00683001       0.77222254      -0.99335400       0.59842631
64
Lattice="12.44085316 0.0 0.0 0.0 12.44085316 0.0 0.0 0.0 12.44085316" Properties=species:S:1:pos:R:3:forces:R:3 energy=-541.10894885 stress="-0.012400451755487258 -0.0012738872003892371 -0.000390750752365491 -0.0012738872003892371 -0.013543677431246664 -0.0026422206172789014 -0.000390750752365491 -0.0026422206172789014 -0.012474089392229883" free_energy=-541.10894885 pbc="T T T" config_type=wetmd 
Cl       7.96244995       6.73666003       8.77691006      -0.02275073      -0.76110395       0.40639092
Cl       4.45986994      11.74850003       3.07118994       0.13051244       1.14652873      -0.61468996
Cl       0.04304684       6.67987002       0.93903298      -0.30500604       0.52897901       0.07667530
Cl       6.17979998      10.63629994       6.07699996       0.15947652       0.24036561       0.28971436
Cl       9.39863996       9.88416005       1.08905002       0.42686180      -0.07608693      -0.35225018
Cl       8.95052005       5.12894998       1.40748000       1.23329122       0.06767689       0.69703140
Cl       4.57478001       8.45155003       7.98617006       0.34593750       0.80369277       0.38047702
Cl       2.47236005      10.09979997       6.28139995      -0.51843765       0.55816563       0.60231829
Cl       8.00227001       0.21156206       2.12775003      -0.68546040       0.72779155       0.18525944
Cl       0.52658598       6.26258005       9.06393000       0.56546377       0.05576898       0.47306668
Cl       5.33392995      10.47159997      10.49399997      -0.28003298       1.27215552       0.28863942
Cl      10.46099999       9.49941000       9.92634002       0.79251695       0.21249953      -0.12175461
Cl       7.63470003       0.83328001      10.86029999       0.71474381       0.12668519       0.51321384
Cl       6.82011999       7.35129006      12.24309995       0.07505168      -0.14416903      -0.42074989
Cl      10.58380004       3.11395002       7.64979004       1.48081454       1.09904769      -0.11666368
Cl      11.55139996       2.86175004       3.23971001       0.26959606       0.16641378      -0.05721938
Cl       6.03240000       3.47520005       2.84243002      -0.98643589      -0.99486549      -0.63468929
Cl      12.06419999      10.31160002       3.85237997      -0.17771081      -0.35751931      -0.96591125
Cl      12.42163366       6.61285998       5.38652005      -0.28863730       0.09684904      -0.25318068
Cl       2.06778002       9.44572000      11.02049999      -0.50418915      -0.16291351      -0.21495618
Cl       7.85476006       5.22575001       4.92168996       0.95189229      -0.74840730       0.17704888
Cl       9.18458002       8.63481001       6.49206004       1.15256399       0.61057676      -0.08203744
Cl       3.69719003       7.64706997       1.60522997      -0.29921296       0.30153861      -0.45888863
Cl       4.39965995       2.06484995       9.32188002       0.22229500      -1.89882956      -0.18193006
Cl      10.74109995      11.98290001       6.31201004      -0.02896373       0.41672735       0.96320415
Cl       7.48271000       2.01422999       7.24332995      -0.25362921      -1.24909043      -1.15896751
Cl       2.05876003       3.47844003       5.50113999      -0.11304374       0.14265388      -0.01450337
Cl       7.04767004       8.65109994       3.65515998      -0.00311769       0.86824101      -0.76820437
Cl       9.78699002       4.45646003      10.62609994       0.35198489      -0.38679247       0.61993203
Cl       4.43191995       4.58556001      12.06669998      -0.45608689      -0.36742340      -0.02568999
Cl       4.42799996       6.35019003       4.68365999      -0.50860475      -0.20020270       0.03589184
Cl       4.66530998       5.19656999       8.10055997      -0.20166751      -0.52931777       0.57825047
K        8.97455006      10.61919999       4.01895006       0.19436924       0.46537947       0.76888724
K        2.60564998       6.93023995       6.80976995      -0.46748324      -0.48560780       0.14299915
K        7.19765995       3.77827006      12.34579994      -0.36682169      -0.38867784      -0.52035945
K        8.64101004       2.81561003       3.35153001       0.67658898       0.01564641       0.53542533
K        6.31559002       6.41077002       2.47165005      -0.09618411      -0.82907925      -0.67951799
K        6.60944994       7.34423000       6.05890997      -0.18607567       0.67948570       1.51058181
K        4.10373995       9.22417005       4.05526006       0.11209243      -0.17580100       0.28284028
K        9.59314001       7.34541996      11.63579995       0.21447748      -0.47241490       0.19017680
K        3.41224001       4.81222004       2.61645001      -0.92896253      -0.14966288      -0.51544225
K       10.54779995       6.18331999       7.73290004      -0.60918339       0.19000094      -0.29833319
K        9.55036002       7.21013004       3.69127005       0.66179220      -0.16254893       0.02159287
K        5.44690994       3.77468000       5.65581998      -0.37625044      -0.09679375       0.51475258
K        4.50342997       7.14186994      10.47809994      -0.17219885       0.13307362       0.31654418
K        6.17913004       9.94548002       0.65948900      -0.05780558       0.17884216       1.08207345
K        7.35151996       4.07275003       8.94337004      -0.36267178       0.15981883       0.52568511
K        7.46930996       9.30332996       9.05117999      -0.06586221       0.99318701      -0.40035224
Li       0.69306998       9.30334004       5.44198996      -0.44067389      -0.37134908      -0.25766189
Li      11.28420005       3.57307001       1.11734002      -0.40499365       0.97626866       0.42607804
Li      11.97054910       4.31254001       5.40475000       0.46480302      -0.17404459      -0.42830668
Li       9.07875999      12.20570001       0.32237299      -0.24014041      -0.38845142      -0.47928846
Li       5.45231997       0.59904997      10.90380006      -0.20890610      -0.33377150      -0.56328388
Li       0.34680097       8.43656004       9.70359002       0.14651682       0.01461170       0.57029523
Li       9.66933003       1.32226998       7.47137004      -0.67647635      -1.49208656      -0.52749141
Li       5.48867003       1.21799996       2.65886996       0.26377914      -0.29591557      -0.08685185
Li      11.41800005       9.29914000       1.89948004       0.33250266      -0.06643787       0.01011830
Li       6.28031996       0.23672605       6.40425997       0.19894605       0.28684764       0.28134878
Li      11.33300004       3.23158003       9.82435998      -0.05022306       0.36025555      -0.53575143
Li       1.76597002       8.18344006       0.54723606       0.22594455      -0.24999646      -0.17637819
Li       3.76079004       3.83986000      10.04400001      -0.05322908       1.36094207       0.03933395
Li       3.86428002      10.65940000       8.87175004      -0.10255257      -0.93997058      -0.52347177
Li      10.81839995      10.16989995       7.88285001      -0.69512904       0.14326180      -0.94287357
Li       1.49148997       1.68344002       6.44961994      -0.17000393      -0.45064724      -0.12819644
64
Lattice="11.00494819 0.0 0.0 0.0 11.00494819 0.0 0.0 0.0 11.00494819" Properties=species:S:1:pos:R:3:forces:R:3 energy=-532.16704761 stress="-0.07606690226146633 0.001128664653149831 -0.003916678154289043 0.001128664653149831 -0.07677087083481678 0.008261681601239853 -0.003916678154289043 0.008261681601239853 -0.06888032334718237" free_energy=-532.16704761 pbc="T T T" config_type=wetmd 
Cl       6.41208996       5.81456001       8.66143006       0.74987819       0.65742426      -0.09663950
Cl       3.57033996       9.74031996       0.23551899      -0.55662211       0.97542936       0.12791101
Cl       8.66178001       6.03666000       5.16048003       1.56768076       0.83961058       1.05569184
Cl       8.55458995       3.20290004       4.37387000       0.04988425      -0.41330402      -0.45833141
Cl       8.71993005      10.79619995       2.46323997       0.77413580       0.78292121       0.17730113
Cl       8.86062996       7.44722001       2.56672996      -0.17393129       0.48450574       0.06787239
Cl       4.04676002       7.70210000       8.41817998      -1.02024276       0.75983393       0.20967726
Cl       1.24039995       9.86194995       7.87239002      -0.57871156       0.43590570       0.23860440
Cl      10.95009997       5.12892004       2.32888001       0.60613292      -0.21369377       0.03314371
Cl       0.03015180       8.01127004       0.42445183       0.68677619       1.13958045      -0.89884018
Cl       5.08483004      10.62090004       8.26218000      -0.02102392       0.77174748       0.95617958
Cl       2.53161999       5.71670995      10.57020002       0.09536593       0.48883533      -0.74569756
Cl       8.86752996      10.96970000       9.61786999       1.35230842       0.86113590      -1.30810295
Cl       6.20666004       5.28820995       1.04886004       1.90685867       0.18918703      -1.18253671
Cl       0.20375177       2.78928005       0.12985179       0.65398764      -0.78222725      -0.26596666
Cl       3.75026999       2.89300004       9.54309995       0.39412491      -1.65973626       1.10958871
Cl       4.96719000       3.89866995       3.81404003      -0.03865130       0.20653111       0.94570347
Cl       2.44559002      10.26209999       3.88673002      -1.08450373       0.65498145      -1.21376924
Cl       0.65575185       7.43701996       5.21823004      -0.39947250       1.25786439      -0.14971951
Cl       6.98384005       9.31520002       0.24105183      -1.47615213      -2.44039959      -0.01478278
Cl       6.03417002       7.53193005       5.22655000       0.35090355       0.50017605       2.50437047
Cl       9.48934001       7.58077001       8.01188995       0.40504271       0.31160429       0.88396304
Cl       4.34651005       7.30638000       2.77211002      -0.16142787      -0.40695107      -0.56547949
Cl       6.85976003       2.57324004       7.27713996       0.18288226      -1.51990045       0.66216821
Cl       9.92206998       0.41715181       5.90466996       0.59700191       0.10545216       0.56952900
Cl       3.69436001       1.77503002       6.22139005      -0.63809020      -0.17061768      -0.10275725
Cl       2.19483996       3.08302996       3.48282003      -0.50311245      -1.14310209       0.82412799
Cl       6.56724003      10.64839997       5.15033996       0.31705375       0.96310384       0.94161358
Cl       9.05351996       4.53510999       9.72262004       1.41872776      -0.38165721       0.48109287
Cl       6.68128002       1.95823996       1.42313998      -0.64395161      -0.76151297      -1.06380804
Cl       3.24688000       6.18764998       6.13456002       0.37387842      -1.42737801      -0.76123862
Cl       0.86395182       3.77882001       7.63035005      -0.40570185      -1.17298643      -0.74667569
K        4.79284004       1.31341999       3.39597999      -0.51768218      -1.08211985       0.21443722
K        1.27819997       6.53925004       7.88820006      -0.47574688       0.83631381       0.77699340
K        8.57933997       4.00491997       1.60891000       0.46703244      -0.38910139      -0.13898496
K        6.63245997       4.74376997       5.82498004      -1.31486786       0.08267550       0.27501553
K        6.66583996       5.83212996       3.50232003       0.78779940      -0.00189388      -1.83541943
K        6.71338002       8.42244000       7.92831001       0.38233267       0.31871037      -0.06504747
K        3.75585995       8.81577996       5.63268002       0.11192846       0.34371178       1.20526919
K        2.31950005       5.82042003       3.66728002      -0.10435103      -0.44178822      -0.09672147
K        3.95804000       4.24890001       1.32405000      -1.60191110      -1.57950320       0.17727900
K        9.04121005       4.25073002       7.01237004       1.45808800      -0.30320716       0.87823550
K        8.81826003       8.68300999       5.54446997      -0.01569735       0.84514300      -0.58033169
K        4.66415995       4.29342999       7.42014002      -2.15016234      -0.41472504      -0.15065081
K        4.95681003       7.25364000      10.91579997      -0.29824843       0.77976321      -0.43244793
K        6.43978996       9.03374000       3.09569006       0.42789547       0.60494453      -1.73213955
K        6.59403003       3.51180002       9.96264996      -0.33965558      -1.28464914       0.36288002
K        8.33701002       6.99471998      10.76190006       0.24342697      -0.32908884      -0.27957666
Li       7.98379003       0.81621005       7.65695000       0.62744431      -0.68847941      -0.31712652
Li       1.93116999       3.92828999       9.44543005      -0.52027947      -0.19891311       0.78974165
Li       5.60666003       0.84405300       6.60668000      -0.51824229       0.48046007      -0.17178357
Li       9.28061004       1.31648002       3.97439995      -0.22863351      -0.73602303       0.03243674
Li       7.39175001       0.14275179       0.09465180       0.33993454       2.67468950       0.98146429
Li       0.77231296       6.00666998       0.51755182      -1.09377360      -0.28363055       0.35618761
Li      10.31399999       6.26120001       4.08869999       0.39227331       0.07574547      -1.12757483
Li       4.39758995       0.62635180      10.20169999      -0.00473653       0.26073001      -0.02398728
Li      10.02639997       9.23211002       1.94144003       0.11299141      -0.38055268       0.06508648
Li       0.81859702       9.62914996       5.65830999      -0.04433250       0.49123726      -0.26522374
Li      10.81560002       1.62311001       9.22208000      -0.12165177       0.14837794       0.00688962
Li       3.04871004       8.69981003       2.13918002      -1.15249929       1.34175540      -0.17344718
Li       1.57100004       2.36016004       5.85374995       0.21007236       0.11417670      -0.22664576
Li       3.03956999       9.62480003       8.96712000       0.74296086      -0.47755495       0.23758650
Li      10.46679995       9.27555998       9.41647999       0.08083151      -0.44267061      -0.29725493
Li       0.91325179       2.27763998       2.14558996      -0.66356875      -0.25689693      -0.65933202
64
Lattice="11.04320856 0.0 0.0 0.0 11.04320856 0.0 0.0 0.0 11.04320856" Properties=species:S:1:pos:R:3:forces:R:3 energy=-543.77051753 stress="-0.0513802499744977 -0.005759599135451322 -0.003191107455710541 -0.005759599135451322 -0.04426292496678029 0.0016227442319697591 -0.003191107455710541 0.0016227442319697591 -0.04618564065867563" free_energy=-543.77051753 pbc="T T T" config_type=wetmd 
Cl       6.54708005       7.27816994       8.83136995       0.09409286       0.20161124       1.02217994
Cl       5.22690003       1.86496999      10.10989996      -0.26937847       0.13947221      -0.50847399
Cl       8.78121004       5.46975001       5.41574000      -1.35303186      -0.40071641      -0.14342678
Cl       9.89982003       2.35827995       2.54410004       0.22096238      -0.60585924      -0.55303126
Cl       0.73859143      10.19809997       2.87667002      -0.13974161      -0.03523355      -0.22419615
Cl       9.40504001       7.60872995       2.89956999       0.14443609       0.60037255      -0.06203839
Cl       0.64671901       7.99447000      10.95059999      -0.50677833      -0.24118338       0.19537609
Cl       0.44589141       8.19355994       5.79852002       0.45770279       0.96137918      -0.55185674
Cl       9.17692001       5.15473995      10.87139998       1.36956689       0.39700658       0.80867015
Cl       2.26210995      10.65650002      10.55709999       0.79850723       0.63182584      -0.17641116
Cl       2.84503002       8.65002004       8.05746002       0.00691656       0.13907056       0.22622598
Cl       3.79513004       5.07753997      10.31490001       0.02538152      -0.07558900       0.36838995
Cl       9.10189002      10.86819999      10.83690000       0.78648128       0.39658699       1.03226245
Cl       6.13345999       6.68834996       1.60408998      -0.03536379      -0.91437642       0.24209609
Cl       1.01475005       2.75112995      10.52070003      -1.36607536      -0.46335850       0.08834009
Cl       2.95246001       2.20209000       7.42420997      -0.25098888      -0.63220367       1.64818377
Cl       3.22955001       2.52417003       2.09469998      -0.78808749      -0.69121001       0.03637397
Cl       4.49328002      10.65480003       4.84225999      -0.06103018       0.80581262       0.97869545
Cl       0.75029138       5.08875998       2.03799996       0.18129431      -0.19792868       0.06360573
Cl       5.66216997      10.13929996       0.90362898       0.33078284       0.04863691      -0.51549690
Cl       5.89389999       7.75115995       5.88054003      -0.16408752       0.79734278       0.37597259
Cl       9.88079005       8.30652998       8.22913995      -0.43167837       0.12508373       2.89757984
Cl       3.06867001       7.54298001       2.51049004      -0.86727896       1.69113172       0.58974985
Cl       7.73053002       0.05299139       7.67673999      -0.13006529       0.28017748      -0.96585422
Cl       0.26489146       0.11029140       7.39697996      -0.45214243       0.64698052      -0.04094875
Cl       6.48799999       3.93505997       7.08699003      -0.40308123      -0.11489157       0.45375194
Cl       0.18119144       3.14783999       5.67264997      -0.46103607      -0.96618502      -0.36884828
Cl       8.40781994      10.82349995       4.13838995      -0.51902065      -0.38754662       1.36088104
Cl       8.60443996       2.74622002       9.22433999       1.10684765      -0.33475839      -0.15843676
Cl       6.50711998       2.69163002       3.12926001      -0.14092718       0.35267992      -0.60990105
Cl       2.89929999       5.33032001       5.40916001       0.01131257      -1.15019915      -0.12131308
Cl       0.82449147       5.37157997       8.66182003       0.12958666      -0.14334349      -1.02303927
K        4.68629996       2.57466003       5.45410996       0.07822233      -0.61908721      -1.22326344
K        0.18259139       5.79124995       4.68927997       0.82628144       0.20124718      -0.56600349
K        8.56648004       4.92711004       2.54199996      -0.25605547      -0.00932014       0.15612768
K        8.83466999       5.60052998       8.17298998      -0.10164814      -0.14772722      -0.21499223
K        5.89001002       5.47929002       4.62772005       0.51948291      -0.87956945      -0.76888154
K        5.27562001      10.18239995       8.40584001      -0.07180643      -0.41910159       0.26431746
K        3.17807000       8.17266001       5.23706000      -0.16386470       0.59459073      -0.16672631
K        3.69797001       5.04372003       2.61817998       0.60335932      -0.30071072      -0.61392492
K        3.34780003      10.87810000       2.37847003       0.40255491      -0.70440964      -0.28991097
K        8.51363994       2.45023995       5.31853999      -0.40847942      -0.32084296       0.23080139
K        8.63378994       8.30414995       6.06860996      -1.10386070       0.67039325      -1.93909833
K        4.27748005       6.23015001       7.58635000       0.25077830      -0.59806471       1.04003870
K        3.54001999       7.81794000      10.90999997       0.88257438       0.56921004      -0.52313685
K        6.27719000       8.91426999       3.42256001       0.47580909       0.30165825      -0.57272531
K        6.58274001       4.52940998      10.57459994      -0.98550977       0.05323587      -0.15782723
K        8.27260999       7.95542000       0.11599146       0.11835662       0.54973814      -0.16216818
Li       9.49409995      10.43470005       8.71959004       0.24598825      -0.20048230      -0.11558305
Li       2.32607000       3.90829995       9.41299001       0.55057485       0.05846306      -0.65112277
Li       6.79938004       2.00387997       8.33115004      -0.35852563      -0.06990676       0.01420018
Li       0.19399141      10.61859995       5.00071005      -0.27398359      -0.50919893       0.77877584
Li       6.32211995       1.33456999       0.87482697       0.12793653      -0.49393920       0.71663779
Li      10.79519996       2.12825996       8.58976001      -0.03645855      -0.17053463      -0.32340009
Li       0.42656005       5.67700000      10.93939997      -0.22133949       0.00746173       0.02255341
Li       2.24480005      10.83319997       8.28345000      -0.05654002       0.20740407      -0.09118372
Li       9.80551998      11.01729998       2.74960002       0.01551113       0.45674686      -1.45097565
Li       0.55159148       7.61390005       2.18103005       0.19964160      -0.00006992       0.05034191
Li       9.88927002       2.58861003       0.07109143      -0.37392203       0.07582273       0.57750916
Li       2.81364997       1.74525996      10.99490004       1.08143442      -0.15319764       0.27843625
Li       1.65730997       3.75933005       6.91664003       0.51444154       1.22054586       0.05471255
Li       0.38789149      10.30949999       0.43979147      -0.83094686      -0.39681984       0.10493559
Li       0.79999697       7.66083998       8.15722999       0.62538371      -0.02471163      -0.11580180
Li       0.80802704       2.86129004       3.52133996       0.40053151       0.19058900      -0.70772416
64
Lattice="11.33677164 0.0 0.0 0.0 11.33677164 0.0 0.0 0.0 11.33677164" Properties=species:S:1:pos:R:3:forces:R:3 energy=-548.99427857 stress="-0.032205418060735194 0.002275662784406048 0.00023815977904450522 0.002275662784406048 -0.022910152035342947 0.0005247017520329554 0.00023815977904450522 0.0005247017520329554 -0.029380615756642053" free_energy=-548.99427857 pbc="T T T" config_type=wetmd 
Cl       6.21434003       5.77145997       8.02519000      -1.26845735       0.68548439      -0.36574357
Cl       6.27375004       2.66833005      10.45370005       0.35830409       0.16153153       0.14449630
Cl       9.10918999       5.72948002       4.92639003      -0.81366823      -0.27240113       1.00653289
Cl       9.02013999       2.98260996       1.93933006       0.24234596      -0.29862864       0.13576021
Cl      11.27039994       0.59812841       2.64072002       0.29675327      -0.85920835       0.01876668
Cl       9.05002996       8.84278006       1.99101995       0.00014689       0.03986058       0.15046573
Cl       0.38092834       8.42461995      11.14910000      -0.30651995      -0.21513448      -0.02818204
Cl       0.27362840       8.70070004       4.50019998       0.05834790       0.14630674       0.61850046
Cl       9.25960005       5.57090001      10.95770004       0.87724173      -0.39051334      -0.96375177
Cl       2.50909999      11.22870001      11.04849998      -0.52826971       0.12295537      -0.56067927
Cl       2.43222999       8.03166998       8.07995998       0.22312776       0.17809438       0.55480292
Cl       3.48789996       5.22861000       0.01222841      -0.26561848      -0.26088503       0.30512260
Cl       9.12482000       0.01422833      10.74920003       0.20383188       0.23481477       0.09972962
Cl       6.21194003       5.74613998       2.16824997      -0.02773515      -0.14759254       0.40709648
Cl       0.44222842       2.53224004      11.02879996      -0.54361872      -0.08167953       0.03297101
Cl       2.85935000       2.48996000       7.86123999      -0.25790676      -0.33307701       0.18602701
Cl       3.73600997       2.07190997       1.89236000       0.70149321       0.24536720       1.13389720
Cl       2.87119999       0.35502835       5.21064995      -0.13829231      -0.26750453      -0.51791096
Cl       0.72082833       5.12205002       2.30463995      -0.68251779       0.06075644      -0.24962869
Cl       6.09284997       8.71165000      10.80200002      -0.15901219      -0.32444935       0.85033216
Cl       6.06448004       8.40623000       5.31531000      -0.87194136       0.24300037      -0.16194344
Cl       9.85788003       7.88910997       7.74111000       0.22255895       0.03559313      -0.19056394
Cl       2.79246996       9.37902999       2.33966003       0.41255966      -0.30715376       0.86628649
Cl       4.72572997      11.26799995       8.18482999       0.24694225      -0.03334180      -0.04130005
Cl       0.30312305      11.06690002       7.56948998       0.38993978       0.54546475       0.17268022
Cl       6.18938995       3.02550002       6.21721005      -0.32051134      -0.67705290       0.17122574
Cl       0.44782833       2.72496005       5.27134997      -0.72727745       0.03213519      -0.34601022
Cl       8.61323004      11.08410005       6.65287005      -0.94822242       0.47938230      -0.21773005
Cl       9.46163005       2.61529005       8.45212998       0.15207284      -0.68042270       0.55256411
Cl       6.78663001       0.40522837       2.82262997       0.02691536       0.04148794      -0.39657636
Cl       3.18740998       5.11836001       5.78526000      -0.26862991      -0.14056866      -0.71730433
Cl       0.56512832       4.89471997       8.67866997      -0.81209190       0.87693577       0.40512234
K        5.69870001       0.18972836       5.50655000       0.49388241      -0.03026758      -0.12658405
K        0.37062831       5.72971005       5.94495997       0.03085176       0.50337967      -0.13903102
K        9.27213001       5.83394996       2.28164002      -0.20282606       0.37677657       0.11839238
K        8.75985996       5.10014000       7.98935004       0.81377807       1.01681597      -0.35299582
K        5.84207004       5.56022996       5.01839995       0.86598948      -0.04211705       0.26884592
K        5.79792998       8.69141001       8.09443001       0.07202982      -0.39580270      -0.44613015
K        2.97260004       8.11630000       5.36441001       0.26761894       0.40606943      -0.58848964
K        3.33033006       4.96376000       2.82549999       0.92412241      -0.04552640       0.12856096
K        5.25554005       0.07362836      10.93930000       0.41476098       0.25957970       0.81698134
K        8.91855005       2.67221006       5.60493005       0.05672609      -0.29926031      -0.70630788
K        8.75218995       8.90010002       4.99698003       0.75337045      -0.53138853      -0.02408074
K        3.25143996       5.12223004       8.65438003       0.99573152       0.48167647      -0.50537802
K        3.24173001       8.15084995      11.20089998      -0.08176618       0.01349478      -0.55554264
K        6.04974994       8.74746003       2.49628003      -0.22916391       0.08492484      -0.44602988
K        6.56205004       5.59349000      10.72200005      -1.01547850      -0.11465432       0.41136868
K        8.82065997       8.38009001      10.31070005       0.45073533       0.24594382       0.19789628
Li       9.32491005       2.61355995      10.96199996      -0.00447836       0.06736077      -0.17504891
Li       2.52194001       2.65858995       0.31182833       0.07419141       0.31222758      -0.99544583
Li       5.51728003       2.11567002       8.31282997      -0.12551322       0.33557298      -0.20413793
Li       9.58671001       0.49162840       8.42565001       0.00956937      -0.60207481       0.21321952
Li       6.89366002       2.62673997       1.90575995      -0.67859570      -0.08630902      -0.21886451
Li       0.42362840       2.76497999       8.47394998       0.36685574      -0.44239470       0.02483292
Li       0.27662834       5.89785001      10.89350001       0.00001743      -0.10091280      -0.07476319
Li       0.27832840       0.08472831      11.11970001      -0.11852210       0.02938607       0.27841759
Li       8.72133001      11.11289999       1.81797003       0.48672698       0.19536582      -0.13901997
Li       0.20142836       8.57165005       2.35175999       0.15165490       0.28010495      -0.75702029
Li       0.24462837       2.79561002       2.51267005      -0.42444276       0.43508179       0.00052371
Li       2.53076002       2.68374998       5.43070995       0.91744310       0.12176268       0.69572282
Li       2.51547001       0.25272838       7.81813996       0.06770166      -0.00713322       0.05681509
Li       2.63065999       0.31872835       2.68599999      -0.31434150      -0.46127867      -0.02676429
Li       0.42692831       9.06575996       8.45002996      -0.10508730      -0.74811891       0.16541696
Li       0.63232839      11.28470003       4.96664997      -0.38583279      -0.09784196       0.04958510
64
Lattice="11.55635901 0.0 0.0 0.0 11.55635901 0.0 0.0 0.0 11.55635901" Properties=species:S:1:pos:R:3:forces:R:3 energy=-547.21287707 stress="-0.025076771342437007 -0.0009135177426750778 -0.0006392935751918321 -0.0009135177426750778 -0.026963302347046705 -0.00024411816083342016 -0.0006392935751918321 -0.00024411816083342016 -0.029129698826023464" free_energy=-547.21287707 pbc="T T T" config_type=wetmd 
Cl       5.81166995       5.34023996       8.35710999       0.01710843      -0.23738792       0.37854632
Cl       6.28247994       2.40404001      10.78669995      -0.10591873       0.45755611      -0.12683554
Cl       9.58583004       5.49050001       5.20198996      -1.05070123      -0.22356910       0.31610165
Cl       8.85828004       2.60370997       1.99956005      -0.14045831       0.52804689       1.22345899
Cl       0.09724098      11.46939995       1.99483003       0.18527257      -0.10414817       0.23685238
Cl       9.62093999       8.53173004       2.17047999      -0.07880644       0.24465637      -0.02701350
Cl       0.40178398       8.44000005      11.16680004       0.44962621       0.41583635       0.09518899
Cl      11.31209999       9.78997000       5.31512001       1.10713453      -0.08544500       0.65002577
Cl      10.15340004       5.63258001      10.82789999      -0.85753401      -0.48231418      -0.02625453
Cl       3.69497002      11.26809996      11.19890002      -1.07071236      -0.06763401       0.48568377
Cl       3.12839999       7.95740003       7.79748001       0.12148299      -0.53218857       0.14080628
Cl       2.50055005       5.53792997      11.39520004       0.37890725       1.44557943      -0.58749818
Cl       9.40367998      11.26700003      11.20110001      -0.78728525       0.08311782       0.22265249
Cl       5.80706000       6.29441997       2.39061996       0.61127366      -0.63697656       0.00808305
Cl       0.44384104       2.35819998       0.17114101      -0.05992634      -0.03193135      -0.50399015
Cl       3.11433995       2.61210001       9.35229000      -0.00824276      -0.51619736       0.18909631
Cl       3.40884000       2.69289999       1.63977003       0.10526452       0.02386029       0.62989705
Cl       3.14426005      11.44520001       3.88182005       0.63055453       0.56548700      -0.96054837
Cl       0.47184094       5.01629996       2.25700002      -1.48119741      -1.10453620       1.17043228
Cl       6.22973002       8.06674006      10.91500004      -0.35663705       1.24171683      -0.18588786
Cl       5.73826003       8.25709005       5.17668003       0.08703592       0.80221722      -0.76841422
Cl       9.05235002       8.39716005       7.87260004       0.78888635       0.58892506      -0.00687934
Cl       2.21003995       8.08624003       3.06382005      -0.93599069       0.82991396      -0.24571019
Cl       3.51608995       0.11624102       7.35619004       0.00320690      -0.01097507      -0.03062849
Cl       0.32500896      11.50950005       8.93271004       0.15381099       0.43210788      -1.27068361
Cl       6.22950005       2.58539996       6.12369996      -0.27068618      -0.15437743       0.31977944
Cl       0.93711001       1.93813997       4.58956002      -1.44007830       0.01354198       0.11933747
Cl       8.90499997       0.20614095       4.38323995      -0.24146009      -0.46815513       0.24503005
Cl       9.31810005       2.71804004       9.32470994      -0.23905250      -0.29139269      -0.19901876
Cl       6.37031994      11.46360005       2.32093003       0.00820574       0.40909433      -0.37804304
Cl       2.91301997       4.47107995       5.09395002       1.65643864      -0.84960291       0.73592963
Cl       0.49707702       3.47348997       7.29483999      -0.52740544       0.54084503       0.69492567
K        5.86550999      11.21049995       5.19475002      -0.03564595       0.56816329       0.20635818
K        0.71359800       5.85927001       4.91506001      -0.42578125       1.07840444       0.59683440
K        8.79031998       5.67654006       2.38935997       0.09652043      -0.18209149      -0.28435163
K        8.89194995       5.48415002       8.25632005       0.23524929      -0.42931716      -0.30501959
K        5.75911995       5.51446004       5.59342002      -0.11342957      -0.69963061      -0.93045654
K        6.29099005       8.29163998       7.81489001      -0.87954057       0.13943557       1.02531190
K        2.54837004       9.39116005       5.59231003       0.26197296      -0.00797270       0.01148360
K        3.05751999       5.62016005       2.58518998       1.33054723      -0.58171983      -0.26315475
K        6.45561997      11.15709998      11.03370002       0.52495732      -0.37588762      -0.54937437
K        9.10462001       2.49334004       5.95419002       0.37294057       0.54670769       0.48706936
K        9.05688000       8.46346004       4.95435002      -1.27893517      -0.39547138      -0.18327839
K        2.76531005       5.18211996       8.59084994      -0.27268404       0.73542643      -1.03742783
K        3.23395000       8.45593003      10.49670006      -0.08017603      -0.09513591       0.46580368
K        4.83358999       8.99020998       2.28072002       0.07616620       0.24546606      -0.06613961
K        6.40943001       5.40722997      11.14269995       0.07597298      -1.12468839       0.47351373
K        9.09917997       8.29653999      10.81159998       0.24402526       0.37829062       0.14547344
Li       9.54143004       2.09259001       0.13514099       0.23157222      -0.18780302      -1.44077913
Li       2.42006995       3.51149999      11.31869994      -0.04511731      -1.32183073       0.14057945
Li       5.35809002       2.75972995       8.45758999       0.21571444       0.03553090      -0.06726146
Li       2.39568003       0.40364097       9.41107004       1.10859877      -0.00188550      -0.07719314
Li       5.52507999       2.14927002       1.33001003       0.43052082      -0.45329652       0.11615748
Li      11.53749996       2.74212002       9.52938000      -0.15599348       0.15594713      -0.49571959
Li       0.36144096       9.29423999       1.74842003      -0.06266704      -0.72356432       0.22999022
Li       0.01164095      11.47530005      10.95260004      -0.16534727      -0.17364028       1.63724557
Li       8.70108004      11.19450006       2.13693997       0.27779359      -0.00317416      -0.13049738
Li      11.12259997       0.13154095       4.35746003       0.27388394       0.15533184      -0.65437122
Li      11.24369998       2.88553999       2.86694003      -0.14650590      -0.03401814      -0.54328434
Li       2.95008006       2.40689998       4.02394004       0.69133795      -0.11575434      -0.11785500
Li       0.28864098       5.93941995       0.46314096       0.46750452       1.05004187      -0.94458580
Li       2.34283996       0.57604104       1.67583003       0.20507046      -0.18686798       0.10878306
Li      10.93179998      10.27689996       7.42784005      -0.50629454      -0.66448244       0.08432011
Li       1.75323002       1.70477004       6.96342002       0.39565305      -0.15618423      -0.18259621
1
Lattice="10.0 0.0 0.0 0.0 10.0 0.0 0.0 0.0 10.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-5.91500156 stress="-1.1344317326840376e-06 -0.0 -0.0 -0.0 -1.1344317326840376e-06 0.0 -0.0 0.0 -1.1344317326840376e-06" free_energy=-5.94150226 pbc="T T T" config_type=isolated_atom 
Cl       0.00000000       0.00000000       0.00000000       0.00000000      -0.00000000       0.00000000
1
Lattice="10.0 0.0 0.0 0.0 10.0 0.0 0.0 0.0 10.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-7.32251903 stress="0.00031544796836920617 -0.0 -0.0 -0.0 0.00031544796836920617 -0.0 -0.0 -0.0 0.00031544796836920617" free_energy=-7.33662377 pbc="T T T" config_type=isolated_atom 
K        0.00000000       0.00000000       0.00000000       0.00000000       0.00000000       0.00000000
1
Lattice="10.0 0.0 0.0 0.0 10.0 0.0 0.0 0.0 10.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-0.43252054 stress="0.00010112488716699667 0.0 0.0 0.0 0.00010112488716699667 0.0 0.0 0.0 0.00010112488716699667" free_energy=-0.44662527 pbc="T T T" config_type=isolated_atom 
Li       0.00000000       0.00000000       0.00000000       0.00000000      -0.00000000      -0.00000000
