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=-8.247514728538514 stress="0.3776423372606654 -0.06782673177170773 0.16543999240544724 -0.06782673177170773 -0.2091015906927291 0.02306954330793644 0.16543999240544724 0.02306954330793644 0.2078791757359164" pbc="T F T" C 0.03848316 0.19178619 0.17895518 3.84763901 -0.51393770 3.14805911 C 1.79140871 1.61455359 0.03253581 2.06493207 2.76632170 -3.16676329 C 1.64904689 0.10609294 1.46603997 -4.58530970 -3.50036234 -3.17697409 C -0.19401975 1.32157598 1.51361598 -1.32726138 1.24797833 3.19567827