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=141.28748712191702 pbc="T F T" C 0.26959405 0.17626233 -0.14597521 6 -86.62024745 -138.81510966 -249.88720901 C 0.95996341 0.74207130 0.15300231 6 191.15118256 181.30144996 -51.99564647 C 0.78848316 -0.04225341 0.66852158 6 90.53462018 -169.65606773 160.58991956 C -0.04210664 0.63825682 0.52041603 6 -195.06555530 127.16972744 141.29293592