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=-6.662044960494524 pbc="F F T" C 0.20354860 -0.12280496 -0.20130994 6 0.41927117 0.08952329 5.95214725 C 1.61041876 1.26735611 -0.16466555 6 3.23914494 -0.62349120 2.43393026 C 1.24148635 0.08611608 1.53369179 6 -0.33794878 0.76892396 -7.14804421 C 0.02598936 1.22329650 1.46375436 6 -3.32046733 -0.23495605 -1.23803330