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=12969.894165562995 stress="-1734.157688629359 678.678908578468 -452.670367894757 678.678908578468 -2414.447021938421 -296.8204460615886 -452.670367894757 -296.8204460615886 -1730.0349342149902" pbc="F T F" Fm 0.24501283 -0.05651840 0.18282500 -14929.48072690 -21389.31755124 -28788.47921698 Fm 1.70143074 1.08425233 0.07454250 9772.71253696 6467.68247794 -9262.95980753 Fm 1.32509953 0.01719081 1.48248380 31006.23379183 -27039.92911552 23331.60860960 Fm 0.27984205 1.20448914 1.22799984 -25849.46560189 41961.56418882 14719.83041491