16 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=-93.44468629460818 stress="-31.986572527015557 -5.155813119956183 8.191686313452806 -5.155813119956183 -23.55855548715279 -8.979154598149186 8.191686313452806 -8.979154598149186 -26.600682845681426" pbc="F F F" W -0.27713580 -0.06141927 -0.24794580 2.27346374 1.80157987 1.96799796 W 1.65488783 1.55988540 1.16677743 1.40136720 -2.58425181 0.36074731 W 3.16431082 -0.18574270 -0.01155935 -1.15984910 -1.23087611 -1.16355523 W 4.53277713 1.39971974 1.41762637 1.27304249 3.68185500 0.33202422 W -0.03902326 2.85455449 0.21813893 -4.63239908 -1.76710513 -3.71963028 W 1.26716069 4.46332416 1.33096497 4.42215738 3.45829503 1.03136139 W 2.88201197 2.93300593 -0.25966482 2.22173473 1.83028300 -1.14489445 W 4.46441771 4.43677310 1.34482969 -1.83953290 -1.66268236 1.62047351 W 0.22586561 0.29391194 2.72614529 -1.50662880 -3.10666422 -0.18200345 W 1.79814673 1.27761356 4.68220204 -6.90062314 2.09094553 5.90299257 W 2.89362841 0.23573857 3.02724172 -3.92523532 -9.29021836 -8.86279539 W 4.27538150 1.20296332 4.34887301 9.31711195 5.50010063 5.61452590 W 0.22083292 2.78984966 2.86606549 -5.39011514 -2.13801502 -0.13990535 W 1.17512227 4.13823478 4.39931461 -0.73057956 5.96534543 6.67849387 W 2.82825321 3.13102478 3.23611332 7.29491486 -0.38294018 -5.84377086 W 4.76120756 4.51193751 4.75226748 -2.11882930 -2.16565130 -2.45206171