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=-7.6062194066 pbc="F F T" C 0.04632280 0.04012291 0.28235259 6 6.66543926 8.16082456 11.65705256 C 1.53277713 1.12586504 -0.10530719 6 -3.11657626 -2.46032756 -2.24758868 C 1.23859030 -0.21780693 1.71813893 6 -4.83822867 2.29905252 -3.79977506 C -0.05063727 1.58773076 1.56670354 6 1.28936567 -7.99954952 -5.60968882