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=47262.21453326904 stress="-3.065482715369506 0.46305425661679245 -0.10404162310751493 0.46305425661679245 -2.2486908679047644 0.13492582041867932 -0.10404162310751493 0.13492582041867932 -2.7775683334304637" free_energy=47262.21453326904 pbc="F F F" Bi 20.91330579 21.33278379 20.81754421 -1800.89118053 -1662.09690675 -1651.33362379 Bi 22.58365517 22.21560367 21.15541177 -2388.26488704 -691.58243133 -4307.96673162 Bi 22.49036765 21.01920057 22.84557863 -8943.98503681 338.11265080 -17411.34477600 Bi 20.76536280 22.26318114 22.55969225 -2698.53924519 5587.55521916 -7056.61950588 Bi 23.94430310 20.71464059 20.94260086 524.04051961 -818.36409877 -280.86879444 Bi 25.55014909 22.43760743 21.17470889 726.19428624 -1610.22444877 -1630.60515027 Bi 25.58216386 20.72007921 22.61086363 249.26152224 -493.34446686 -98.85933630 Bi 23.71674597 22.96035421 22.30617594 1554.20742133 -8354.15047650 5358.25356822 Bi 21.14052797 24.48684944 21.20408018 -35490.85851892 -8939.59035547 -27328.21288422 Bi 22.56358344 25.25965477 20.94598822 15094.23383179 15891.57949136 -10759.04761973 Bi 22.31183029 24.12708395 22.20501706 19901.90037031 -13558.36816098 22961.65410126 Bi 21.04280608 25.32294347 22.64429543 -6618.11444851 11121.95610874 11350.83606198 Bi 24.21075788 24.27586479 21.21904459 -17164.42604118 -9451.34868193 -32882.27469326 Bi 25.51674616 25.44454835 21.21622072 12517.01952847 6717.32719746 -7485.36840057 Bi 25.28825599 23.92450275 22.36348919 21968.13513272 -6654.86307454 16355.31681652 Bi 24.24095777 25.42881695 22.37476818 -7844.99551911 18444.58731126 17319.47503796 Bi 21.03410090 21.15664885 23.84903965 -4996.73305913 -7116.94639573 9874.34775934 Bi 22.31375015 22.61350800 24.07704396 17094.20526460 -9911.67893586 -1758.26265776 Bi 22.12913169 21.36908067 25.74877729 10561.31726945 -15253.36981004 4245.68940706 Bi 21.18826261 22.67189608 25.45234524 -18459.61431893 10240.43889848 2229.79173794 Bi 23.64543003 20.82203412 23.96846920 14144.03551368 -3001.67730095 13892.52466327 Bi 25.26621922 22.22626863 24.12850136 616.84004082 261.26761220 -595.15704515 Bi 25.31475491 20.79068496 25.66530560 104.85244373 -452.87070894 525.03028419 Bi 23.85969644 22.86343021 25.65232052 3411.53479598 -5087.93484839 958.32130441 Bi 21.13573910 23.72293549 23.80322101 -12838.43009684 12220.92290725 -2026.09465343 Bi 22.54798419 25.78391875 23.71481942 1537.30623946 1105.77967500 1624.38716801 Bi 22.44293535 23.92148249 25.68125665 -918.30473605 8242.56551541 1655.32928819 Bi 20.73229328 25.30597895 25.17615098 -349.36233028 504.72163919 369.87854266 Bi 24.02445886 24.13503322 23.72701176 -2890.43590083 -514.02412850 5273.46121602 Bi 25.18792552 25.51849624 24.53067831 30336.28177647 3191.99099731 -35374.23535930 Bi 25.34672773 24.00108239 25.29411750 3644.50555411 -7853.46903643 5128.09082049 Bi 24.13777029 25.76538465 25.61452865 -30582.91619165 7557.09904313 31523.86345420