32 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=135491.9277348159 stress="-6.903432742966002 0.6373639752863643 -0.23140728012386455 0.6373639752863643 -8.457719503701286 -0.32862551097852793 -0.23140728012386455 -0.32862551097852793 -7.2816593533679885" free_energy=135491.9277348159 pbc="F F F" Sc 21.12225024 20.89232467 20.79321563 -13228.35675766 -15987.11863949 -3637.52912520 Sc 22.26204427 22.28768790 21.00155984 10503.78713021 19300.89187866 -2835.82232721 Sc 22.28804932 20.94770916 22.73624612 179.62288797 -17214.58342060 -10460.83584272 Sc 20.72244497 22.64105060 22.29488766 -13897.42113894 -6115.63264886 -896.28770445 Sc 23.67463767 20.94156314 21.01765409 5977.53153300 -6048.28245697 -2056.73040877 Sc 25.63339046 22.57371518 20.79119203 1601.32220031 -1699.06843679 -2198.28374174 Sc 25.33164751 21.22722470 22.74027686 68719.38163127 -90941.35666535 -32546.27763004 Sc 24.22294457 22.39907610 22.69080983 -75478.42158766 65185.25720178 -23109.88852122 Sc 21.09003186 24.24874231 21.01767642 -11253.42103763 -20918.97697417 -21128.29083083 Sc 22.56240727 25.45601920 21.12151480 32624.88906957 6835.27283400 -24120.79199487 Sc 22.25661917 23.74266173 22.69938946 24344.38966906 57151.59366483 -62276.60609187 Sc 21.21977935 25.57126757 22.21079451 -27937.18020457 22495.62662723 38440.13335356 Sc 24.12711421 24.11357211 21.27506242 -31482.94278465 -15169.58304572 -19618.18718187 Sc 25.55450279 25.26151361 20.94435633 12730.57809099 25380.17601337 -25798.34546482 Sc 25.54527231 24.15864278 22.33220766 29340.76373762 -23127.52294415 31879.26310183 Sc 24.22830783 25.58254118 22.56312297 -16268.96748773 14024.61011445 -6860.96112120 Sc 20.85828726 21.20720852 24.25424425 -10236.66103220 -35393.22747130 -24920.37959247 Sc 22.21424797 22.47021472 23.74326510 51497.68021148 -91081.26630133 35271.48707464 Sc 22.19963362 20.91686551 25.66137167 5222.33922931 -2365.92523689 5831.49323937 Sc 20.72325099 22.53443202 25.34574778 -14198.35035462 9958.95660882 47512.64027796 Sc 23.94024391 20.88022691 24.03670040 -9573.16652339 -8616.55176836 7047.56516158 Sc 25.39438222 22.32659499 24.06648189 26720.76536839 29163.53008067 31440.72610284 Sc 25.58422715 20.87662725 25.28050168 4350.77889479 -8681.72647738 9317.56107291 Sc 24.05903809 22.72667452 25.35467673 -32806.87498520 -34248.00434222 9145.98461055 Sc 21.21013098 23.70591493 24.13590441 -65686.69038704 70642.17339613 5477.14470120 Sc 22.73770193 25.37884815 23.99429282 -27403.89740322 8005.31917965 -42812.41133670 Sc 22.54358471 24.12054296 25.31503159 6533.93128911 -9470.83740867 26263.61061242 Sc 20.83574626 25.37786009 25.31622629 -3282.75858806 4161.60840820 2298.80974654 Sc 24.15380551 23.96727572 23.92947694 559.38897726 7137.19495149 -6180.75299367 Sc 25.62428246 25.57183731 23.74631561 15269.89664726 5126.17054785 15031.20330696 Sc 25.24119245 23.92965350 25.70074623 29308.48176059 27895.53043071 11641.43947561 Sc 23.72368311 25.76470322 25.33686716 27249.58194439 14615.75230042 34859.32007165