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=-2.4906713278518047 stress="-0.05130875290799079 0.055653387392958685 0.013931891187502163 0.055653387392958685 0.24949361464986228 0.1450816355910015 0.013931891187502163 0.1450816355910015 0.3047332035949356" pbc="T F T" C -0.08147842 0.19178619 0.17895518 -2.62164512 4.58768316 5.09315450 C 1.79140871 1.61455359 0.09583508 6.44458978 0.89801812 2.00966117 C 1.64904689 0.10609294 1.46603997 5.22645703 1.49431060 -1.02692020 C -0.19401975 1.32157598 1.51361598 -9.04940169 -6.98001188 -6.07589548