32 Lattice="5.704064583127662 0.0 0.0 0.0 5.704064583127662 0.0 0.0 0.0 5.704064583127662" Properties=species:S:1:pos:R:3:forces:R:3 energy=8389.94228532268 stress="-183.55100662271684 0.5279225736526864 -2.1042479007883466 0.5279225736526864 -184.0689498010898 -1.891828614146698 -2.1042479007883466 -1.891828614146698 -182.92250369415393" free_energy=8389.94228532268 pbc="F F F" Kr 0.04276152 0.01896110 0.01402418 -616.32202581 -703.14725985 -607.77804800 Kr 1.39701389 1.46304690 0.04556979 562.61519224 -514.22813017 -1561.23040288 Kr 1.39047437 0.01388994 1.52814774 421.00479923 -1230.63506898 -548.19387960 Kr 0.05685924 1.45724318 1.40565759 -1814.01850433 -482.45422793 548.30930983 Kr 2.76647041 0.01726075 0.00684568 53.40879574 -872.86905800 -633.04526995 Kr 4.25005755 1.36938676 0.00018916 762.86478009 329.58195323 -924.91803321 Kr 4.32814057 0.02762780 1.42822191 648.80260662 -1074.61908914 -58.45565758 Kr 2.87661470 1.46542032 1.45423729 -168.74587527 -268.63574326 -359.51508546 Kr 0.04351943 2.82381357 0.04741638 -1309.02640665 525.74673338 -1385.27310866 Kr 1.47594011 4.30339831 0.02972319 -451.38339826 1008.37345520 -1113.98200395 Kr 1.38850721 2.80731859 1.41862439 518.68297213 748.43299980 648.40180765 Kr 0.03484286 4.27762688 1.41602153 -868.30975742 840.10968794 222.04003384 Kr 2.79034874 2.88140349 0.03729119 575.94259868 -344.53514347 -1319.20548033 Kr 4.30661721 4.23902586 0.00669875 495.25710527 520.28819402 -517.46002658 Kr 4.30600090 2.86325497 1.47953139 1009.69127643 -23.43290725 -239.90589245 Kr 2.80294525 4.25637852 1.41626928 457.16757780 1164.90330348 445.91574260 Kr 0.03791293 0.05182529 2.87207456 -1328.48463059 -963.59180344 6.92424821 Kr 1.48794718 1.44815038 2.87328119 -366.48020682 -58.35756638 -134.18339171 Kr 1.42451641 0.01138120 4.25449244 51.75660651 -1010.65208419 1135.52676712 Kr 0.03983452 1.43901293 4.24562338 -1097.20534251 -236.39178023 1328.46367942 Kr 2.84040799 0.03693148 2.88607092 238.52376638 -1484.94157488 -200.76115543 Kr 4.24749141 1.39140621 2.82499496 1379.59318065 309.15409277 276.63420647 Kr 4.29970684 0.04032915 4.26552002 592.15327209 -620.76674131 683.42297400 Kr 2.83272070 1.44882108 4.28366938 6.73504830 -219.89913951 1468.56977321 Kr 0.03848511 2.79501400 2.89856972 -1399.61284904 568.85861786 -526.08007751 Kr 1.45515482 4.30710900 2.89722499 -388.37666724 1089.69927022 -306.43058878 Kr 1.38226465 2.86182640 4.27563768 386.49326970 -36.89744305 1493.85732682 Kr 0.00856815 4.24080370 4.32955041 -716.28020642 705.65184223 526.49450695 Kr 2.82252601 2.84555361 2.88990487 273.76852283 266.10547312 -469.07182929 Kr 4.31357375 4.29780549 2.85399866 653.56632683 772.05490426 82.54109634 Kr 4.22448022 2.79795473 4.28002887 1198.07818898 179.45777506 860.87697503 Kr 2.83706819 4.22142425 4.25839679 238.13998387 1117.63645845 1177.51148386