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:Z:I:1:forces:R:3 energy=650.992933504 pbc="F F T" C 0.04012291 0.28235259 0.05380858 6 -668.14781587 -185.30982395 -474.71806600 C 0.64971974 0.62366136 0.14317878 6 607.05965448 537.31300941 -736.77660279 C 0.53219307 0.11176733 0.51716069 6 308.07940834 -1069.60134311 304.69798333 C 0.42984093 0.58096497 0.63201197 6 -246.99124695 717.59815765 906.79668546