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=-7.833047464609324 stress="-6.801334923282495 -0.924102978586657 0.6048901132712388 -0.924102978586657 -6.883626039408217 -1.8173155974858681 0.6048901132712388 -1.8173155974858681 -6.74498026475877" pbc="F F F" Fe 0.16431082 -0.18574270 -0.01155935 -2.36205584 -3.48937194 -2.77429176 Fe 1.53277713 1.39971974 -0.12633864 3.04633076 1.75410320 -1.63926651 Fe 1.46097674 -0.21780693 1.71813893 1.71349670 -0.80323113 1.63109396 Fe -0.00697369 1.42024765 1.33096497 -2.39777162 2.53849987 2.78246431