4 Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=28.85627724633844 stress="-194.20522405654557 13.143128871329987 57.02130919135565 13.143128871329987 -182.24973678126102 4.4284519866661896 57.02130919135565 4.4284519866661896 -165.05438245573467" pbc="F F F" W -0.17174679 0.13102478 0.09995250 -30.54905471 -45.75133446 -44.60076145 W 1.76120756 1.51193751 0.25226748 98.22997013 36.38644727 -93.88842467 W 1.46431997 0.04396501 1.57236142 23.59972278 -69.01350694 57.47794454 W 0.20379337 1.73854596 1.26922180 -91.28063819 78.37839413 81.01124158