32 Lattice="5.704064441338801 0.0 0.0 0.0 5.704064441338801 0.0 0.0 0.0 5.704064441338801" Properties=species:S:1:pos:R:3:forces:R:3 energy=8389.938463494445 stress="-183.5510754627034 0.5279227713327759 -2.1042486866946524 0.5279227713327759 -184.06901883555776 -1.8918293210703354 -2.1042486866946524 -1.8918293210703354 -182.92257229844157" free_energy=8389.938463494445 pbc="F F F" Kr 0.04276152 0.01896110 0.01402418 -616.32222638 -703.14748860 -607.77824582 Kr 1.39701386 1.46304686 0.04556979 562.61537447 -514.22829697 -1561.23091040 Kr 1.39047433 0.01388994 1.52814770 421.00493556 -1230.63546943 -548.19405737 Kr 0.05685924 1.45724314 1.40565756 -1814.01909379 -482.45438438 548.30948738 Kr 2.76647034 0.01726075 0.00684568 53.40881314 -872.86934208 -633.04547624 Kr 4.25005744 1.36938673 0.00018916 762.86502845 329.58205999 -924.91833417 Kr 4.32814046 0.02762780 1.42822188 648.80281804 -1074.61943860 -58.45567666 Kr 2.87661463 1.46542028 1.45423725 -168.74592975 -268.63583049 -359.51520219 Kr 0.04351943 2.82381350 0.04741638 -1309.02683211 525.74690390 -1385.27355883 Kr 1.47594007 4.30339820 0.02972319 -451.38354464 1008.37378323 -1113.98236616 Kr 1.38850717 2.80731852 1.41862435 518.68314002 748.43324250 648.40201767 Kr 0.03484286 4.27762677 1.41602150 -868.31004003 840.10996140 222.04010576 Kr 2.79034867 2.88140342 0.03729119 575.94278554 -344.53525502 -1319.20590942 Kr 4.30661710 4.23902575 0.00669875 495.25726660 520.28836341 -517.46019510 Kr 4.30600079 2.86325490 1.47953135 1009.69160523 -23.43291472 -239.90597035 Kr 2.80294518 4.25637841 1.41626924 457.16772612 1164.90368255 445.91588701 Kr 0.03791293 0.05182529 2.87207448 -1328.48506238 -963.59211693 6.92425054 Kr 1.48794714 1.44815035 2.87328112 -366.48032566 -58.35758541 -134.18343506 Kr 1.42451638 0.01138120 4.25449233 51.75662317 -1010.65241298 1135.52713637 Kr 0.03983451 1.43901289 4.24562327 -1097.20569935 -236.39185696 1328.46411117 Kr 2.84040792 0.03693148 2.88607085 238.52384385 -1484.94205775 -200.76122041 Kr 4.24749131 1.39140617 2.82499489 1379.59362933 309.15419283 276.63429621 Kr 4.29970673 0.04032915 4.26551992 592.15346485 -620.76694332 683.42319633 Kr 2.83272063 1.44882105 4.28366928 6.73505062 -219.89921090 1468.57025081 Kr 0.03848511 2.79501393 2.89856965 -1399.61330422 568.85880240 -526.08024789 Kr 1.45515478 4.30710890 2.89722491 -388.37679326 1089.69962499 -306.43068801 Kr 1.38226461 2.86182633 4.27563758 386.49339478 -36.89745486 1493.85781256 Kr 0.00856815 4.24080359 4.32955030 -716.28043940 705.65207175 526.49467839 Kr 2.82252594 2.84555354 2.88990480 273.76861172 266.10555959 -469.07198120 Kr 4.31357364 4.29780539 2.85399859 653.56653980 772.05515564 82.54112319 Kr 4.22448011 2.79795466 4.28002876 1198.07857847 179.45783334 860.87725523 Kr 2.83706812 4.22142414 4.25839668 238.14006120 1117.63682187 1177.51186668