16 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=-93.4446862946081 stress="-0.0004317375624529704 -6.959039412531241e-05 0.00011056697863962816 -6.959039412531241e-05 -0.0003179807187014448 -0.00012119580226418834 0.00011056697863962816 -0.00012119580226418834 -0.00035904171857360876" pbc="F F F" W 20.72286420 20.93858073 20.75205420 2.27346374 1.80157987 1.96799796 W 22.65488783 22.55988540 22.16677743 1.40136720 -2.58425181 0.36074731 W 24.16431082 20.81425730 20.98844065 -1.15984910 -1.23087611 -1.16355523 W 25.53277713 22.39971974 22.41762637 1.27304249 3.68185500 0.33202422 W 20.96097674 23.85455449 21.21813893 -4.63239908 -1.76710513 -3.71963028 W 22.26716069 25.46332416 22.33096497 4.42215738 3.45829503 1.03136139 W 23.88201197 23.93300593 20.74033518 2.22173473 1.83028300 -1.14489445 W 25.46441771 25.43677310 22.34482969 -1.83953290 -1.66268236 1.62047351 W 21.22586561 21.29391194 23.72614529 -1.50662880 -3.10666422 -0.18200345 W 22.79814673 22.27761356 25.68220204 -6.90062314 2.09094553 5.90299257 W 23.89362841 21.23573857 24.02724172 -3.92523532 -9.29021836 -8.86279539 W 25.27538150 22.20296332 25.34887301 9.31711195 5.50010063 5.61452590 W 21.22083292 23.78984966 23.86606549 -5.39011514 -2.13801502 -0.13990535 W 22.17512227 25.13823478 25.39931461 -0.73057956 5.96534543 6.67849387 W 23.82825321 24.13102478 24.23611332 7.29491486 -0.38294018 -5.84377086 W 25.76120756 25.51193751 25.75226748 -2.11882930 -2.16565130 -2.45206171