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:forces:R:3 energy=-7.58933657692 stress="1.920955926898915 0.06277065362290171 0.11427638914061966 0.06277065362290171 2.6770380974024657 0.8154380576111352 0.11427638914061966 0.8154380576111352 1.9612213924937014" pbc="F F F" C -0.14597521 0.20996341 -0.00792870 4.19409474 5.99482889 5.54358512 C 1.65300231 1.53848316 -0.04225341 -3.21406645 -3.86985887 1.34886916 C 1.41852158 -0.04210664 1.38825682 -3.09658828 3.90211431 -2.21196617 C -0.22958397 1.69178619 1.67895518 2.11655999 -6.02708432 -4.68048810