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=-8.37784697538 stress="-0.6512754900562777 0.32469116081868227 0.25746677366023446 0.32469116081868227 -0.6606835872545987 -0.10086345481924754 0.25746677366023446 -0.10086345481924754 -0.6005773643368875" pbc="F F F" Fe -0.27713580 -0.06141927 -0.24794580 -0.04499523 -0.68327950 -0.87549015 Fe 1.61586456 1.55988540 -0.07940362 1.17347327 0.22632977 -1.37298876 Fe 1.43147152 -0.18574270 1.48844065 1.33626554 -1.74088165 0.30274149 Fe 0.03277713 1.39971974 1.37366136 -2.46474357 2.19783138 1.94573743