4 Lattice="4.5 0.0 0.0 0.0 4.5 0.0 0.0 0.0 4.5" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=-11.542197014931125 pbc="T T T" C -0.00027437 0.00000081 0.00024047 6 -8.89742019 -8.91671960 -8.91514368 C 1.12513967 1.12485839 0.00010784 6 8.90476019 8.90347825 -8.91216747 C 1.12520456 -0.00014148 1.12505157 6 8.89614258 -8.90425088 8.90315776 C -0.00008463 1.12485015 1.12487540 6 -8.90348259 8.91749223 8.92415339