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=14.013159196789994 stress="-4.588865715402193 0.7273124823768911 0.09033232349844535 0.7273124823768911 -3.6595806243167495 -0.17892785149917448 0.09033232349844535 -0.17892785149917448 -3.0613121462026687" pbc="T F F" W -0.17174679 0.13102478 0.09995250 19.89384747 -41.23173809 -29.88163930 W 1.76120756 1.51193751 0.25226748 -21.77812266 35.51907960 -37.81308419 W 1.46431997 0.04396501 1.57236142 -4.37113230 -23.94498075 30.55214323 W 0.20379337 1.73854596 1.26922180 6.25540749 29.65763925 37.14258027