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=-6.4488134514577915 pbc="F T F" C -0.28776729 0.19563928 -0.09588942 6 -2.51758700 -0.21196481 -2.27697764 C 1.45742157 1.52271745 0.03320948 6 2.37648790 0.04856409 -2.06361456 C 1.44057204 0.33391265 1.55646809 6 1.70873691 0.57461248 2.05241632 C 0.03502127 1.48286308 1.46427615 6 -1.56763781 -0.41121176 2.28817588