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=8368.70891267471 stress="-184.45758516618685 -3.9635769489639814 1.1868027098275273 -3.9635769489639814 -182.09461753613928 -0.2700048705048014 1.1868027098275273 -0.2700048705048014 -182.59897142028643" free_energy=8368.70891267471 pbc="F F F" Kr 0.02020458 0.00119541 0.04460628 -717.70110799 -891.99758626 -700.00815769 Kr 1.40266811 1.38270006 0.00969336 313.29298938 228.09621962 -1344.71666170 Kr 1.45531219 0.05624229 1.47253149 -48.52009099 -1744.82669951 -370.68881796 Kr 0.04709414 1.39606448 1.40940927 -1555.88188352 292.78881607 282.92275612 Kr 2.83211699 0.03115573 0.04633247 142.22282796 -1076.91327907 -1040.95898287 Kr 4.26880434 1.44127037 0.00577123 1106.53355600 -232.03631491 -1116.53901161 Kr 4.23160520 0.05494418 1.48141888 1492.73091195 -1184.11095167 -450.22924526 Kr 2.90713998 1.44535190 1.42204164 -646.51575196 202.32581907 268.15163780 Kr 0.05313528 2.83094443 0.02645006 -1318.28626706 64.91861966 -1211.08071765 Kr 1.40294850 4.28818615 0.05156532 215.30872349 1109.99972692 -1534.51788420 Kr 1.39583155 2.88612198 1.36889192 451.89451257 -473.00605264 752.62786749 Kr 0.03988604 4.33380575 1.39462923 -1214.45219384 917.99576593 257.37249024 Kr 2.84506419 2.80563662 0.02320668 -220.21475904 271.32292328 -1536.21786360 Kr 4.29416270 4.24286237 0.02920219 586.35158393 619.35614948 -660.29214787 Kr 4.23143277 2.82108945 1.40312314 1515.48184412 204.12812926 344.10043805 Kr 2.81377121 4.27043773 1.38357940 203.51220939 1236.33117254 290.00165245 Kr 0.04648617 0.04398609 2.88856350 -1173.64803661 -1183.63174442 -152.27734495 Kr 1.45152052 1.39614725 2.80709306 164.95437624 930.22313258 474.12921115 Kr 1.45226888 0.02866164 4.26265758 2.27290970 -1073.12785128 963.18684951 Kr 0.01707919 1.44312406 4.24689329 -925.04329096 88.80515675 966.55609154 Kr 2.87922511 0.03488411 2.80088624 -193.13706863 -1326.50751341 713.58973232 Kr 4.30811233 1.40387013 2.91607565 1057.73872358 441.73227378 22.99252024 Kr 4.25030279 0.00346298 4.29655453 532.19538892 -694.72485173 667.49838241 Kr 2.81427142 1.41794285 4.33328172 276.99282981 309.21036004 917.62551326 Kr 0.02839615 2.87138002 2.82412792 -1243.93960680 -202.67597065 -45.61545596 Kr 1.39209743 4.26326654 2.87585869 333.16437285 1246.91869520 -291.08521060 Kr 1.40146392 2.85846092 4.32224303 103.13878994 -204.62406465 990.66361323 Kr 0.03295283 4.28852377 4.26057645 -832.43530137 667.84606897 754.05334789 Kr 2.85586289 2.89686151 2.86902151 -341.25137040 -490.19929212 -34.01588418 Kr 4.25703505 4.23402218 2.80840006 925.20638069 1224.75188776 -51.37668729 Kr 4.29152727 2.92459758 4.25237485 774.72087730 -207.91828152 1035.76903636 Kr 2.78057072 4.28631300 4.30599188 233.31292133 929.54953693 838.37893332