32 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=47262.21453326932 stress="-227115.48341629724 34306.76376422547 -7708.235772788852 34306.76376422547 -166601.0090213293 9996.384183178568 -7708.235772788852 9996.384183178568 -205784.48268719748" pbc="F F F" Bi -0.08669421 0.33278379 -0.18245579 -1800.89118053 -1662.09690675 -1651.33362379 Bi 1.58365517 1.21560367 0.15541177 -2388.26488704 -691.58243133 -4307.96673162 Bi 1.49036765 0.01920057 1.84557863 -8943.98503681 338.11265080 -17411.34477600 Bi -0.23463720 1.26318114 1.55969225 -2698.53924519 5587.55521916 -7056.61950588 Bi 2.94430310 -0.28535941 -0.05739914 524.04051961 -818.36409877 -280.86879444 Bi 4.55014909 1.43760743 0.17470889 726.19428624 -1610.22444877 -1630.60515027 Bi 4.58216386 -0.27992079 1.61086363 249.26152224 -493.34446686 -98.85933630 Bi 2.71674597 1.96035421 1.30617594 1554.20742133 -8354.15047650 5358.25356822 Bi 0.14052797 3.48684944 0.20408018 -35490.85851892 -8939.59035547 -27328.21288422 Bi 1.56358344 4.25965477 -0.05401178 15094.23383179 15891.57949136 -10759.04761973 Bi 1.31183029 3.12708395 1.20501706 19901.90037031 -13558.36816098 22961.65410126 Bi 0.04280608 4.32294347 1.64429543 -6618.11444851 11121.95610874 11350.83606198 Bi 3.21075788 3.27586479 0.21904459 -17164.42604118 -9451.34868193 -32882.27469326 Bi 4.51674616 4.44454835 0.21622072 12517.01952847 6717.32719746 -7485.36840057 Bi 4.28825599 2.92450275 1.36348919 21968.13513272 -6654.86307454 16355.31681652 Bi 3.24095777 4.42881695 1.37476818 -7844.99551911 18444.58731126 17319.47503796 Bi 0.03410090 0.15664885 2.84903965 -4996.73305913 -7116.94639573 9874.34775934 Bi 1.31375015 1.61350800 3.07704396 17094.20526460 -9911.67893586 -1758.26265776 Bi 1.12913169 0.36908067 4.74877729 10561.31726945 -15253.36981004 4245.68940706 Bi 0.18826261 1.67189608 4.45234524 -18459.61431893 10240.43889848 2229.79173794 Bi 2.64543003 -0.17796588 2.96846920 14144.03551368 -3001.67730095 13892.52466327 Bi 4.26621922 1.22626863 3.12850136 616.84004082 261.26761220 -595.15704515 Bi 4.31475491 -0.20931504 4.66530560 104.85244373 -452.87070894 525.03028419 Bi 2.85969644 1.86343021 4.65232052 3411.53479598 -5087.93484839 958.32130441 Bi 0.13573910 2.72293549 2.80322101 -12838.43009684 12220.92290725 -2026.09465343 Bi 1.54798419 4.78391875 2.71481942 1537.30623946 1105.77967500 1624.38716801 Bi 1.44293535 2.92148249 4.68125665 -918.30473605 8242.56551541 1655.32928819 Bi -0.26770672 4.30597895 4.17615098 -349.36233028 504.72163919 369.87854266 Bi 3.02445886 3.13503322 2.72701176 -2890.43590083 -514.02412850 5273.46121602 Bi 4.18792552 4.51849624 3.53067831 30336.28177647 3191.99099731 -35374.23535930 Bi 4.34672773 3.00108239 4.29411750 3644.50555411 -7853.46903643 5128.09082049 Bi 3.13777029 4.76538465 4.61452865 -30582.91619166 7557.09904313 31523.86345420