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=44.564329508821324 stress="-5.078565515129447 0.5902388180363997 -1.2553852806428636 0.5902388180363997 -6.407902110860089 -1.0642462322434856 -1.2553852806428636 -1.0642462322434856 -8.546474280699833" pbc="F T T" W 0.02031036 0.18745344 0.23996280 -69.64231975 -3.03623220 -38.96905061 W 1.37970777 1.77711528 -0.12128882 45.56071685 -33.72337364 -25.67711568 W 1.25213077 -0.26874888 1.21824351 64.87296828 22.98305743 54.94011627 W 0.13616082 1.26429260 1.62968218 -40.79136538 13.77654841 9.70605003