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=-0.170877449878 pbc="F F T" C -0.15533360 -0.03551272 0.11524669 6 -0.05000481 -0.04176299 0.02558869 C 1.44974397 1.31513202 0.22725014 6 0.04857376 0.04074437 -0.01697409 C 1.32677423 -0.25763401 1.65154017 6 0.02629191 -0.02632063 -0.04113915 C -0.23433424 1.39395711 1.60880067 6 -0.02486086 0.02733925 0.03252454