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=-8.85933118347 pbc="T F T" C -0.08768496 0.01361598 0.12418668 6 1.26594452 -1.48060289 4.32956000 C 1.47567541 1.49711252 -0.06254558 6 -2.11014309 1.73122034 7.91228102 C 1.40979777 -0.00548572 1.06719332 6 2.38248941 -2.31713307 -4.22615170 C 0.02506416 1.51956860 1.21571798 6 -1.53829084 2.06651562 -8.01568932