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=-3.5299232312922446 pbc="T F T" C -0.25273346 -0.22303573 0.13744850 6 -0.33833741 -3.22612464 0.27891563 C 1.25497158 1.72586561 0.28126625 6 -0.25237538 2.89561929 0.31361399 C 1.22614529 0.02103145 1.20060506 6 -0.41710696 -1.74292823 -0.44106590 C 0.18220204 1.39362841 1.64272223 6 1.00781974 2.07343358 -0.15146372