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=-5.526356246940902 stress="-0.2310961581651369 0.03516680144001688 -0.030949364564931452 0.03516680144001688 -0.22190222958650166 -0.03531925696458886 -0.030949364564931452 -0.03531925696458886 -0.40488125018699395" pbc="F F T" C 0.05835534 0.20070203 -0.29657041 -2.25933267 -2.05962319 -0.43853583 C 1.40085166 1.49793547 0.28187239 1.95684768 1.48955659 0.95038790 C 1.51001192 0.10170120 1.37793365 2.40522868 -1.93245399 -0.31123131 C 0.00082602 1.74624097 1.49801295 -2.10274369 2.50252060 -0.20062075