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=-6.53498946207 stress="-1.6066331006210535 -0.4525653771735166 0.5535172460284186 -0.4525653771735166 -1.528628081798891 -0.13722074037605203 0.5535172460284186 -0.13722074037605203 -1.2237686698330166" pbc="F F F" Fe -0.16903503 -0.11798803 -0.06699407 -2.77832813 -4.49838300 -0.94708684 Fe 1.22002482 1.27696427 -0.08338442 5.17694305 3.42098445 -3.39816085 Fe 1.46512192 0.22586561 1.79391194 0.66877225 -1.27372530 1.27141127 Fe -0.27385471 1.52103145 1.27761356 -3.06738717 2.35112384 3.07383642