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=12.8594391921 stress="-41.65153323828992 24.094119368973168 6.108092687543204 24.094119368973168 -53.904629588728376 -1.1335336001432843 6.108092687543204 -1.1335336001432843 -12.768245176270385" pbc="F F F" C -0.22153142 -0.00548572 -0.15873180 -37.64215502 -31.49354942 -5.45617955 C 1.34140700 1.31668137 -0.08013605 40.11052242 50.98251171 -29.57591057 C 1.24396547 0.09073906 1.49812475 108.64223630 -148.86485952 8.22243995 C -0.06618674 1.63132919 1.75978669 -111.11060371 129.37589723 26.80965017