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=-46.981412929356665 stress="-1.6531718395625061 0.16499714099171622 2.448034007542892 0.16499714099171622 -1.6882835860292764 1.9388667446179582 2.448034007542892 1.9388667446179582 -1.7145149397316237" pbc="F F F" Fe -0.04210664 -0.11174318 -0.22958397 0.63802746 0.23786455 0.36573136 Fe 1.69178619 1.67895518 0.29140871 1.31535948 1.12055740 -2.02426371 Fe 1.61455359 0.03253581 1.64904689 -0.53076525 -1.28069680 0.73915830 Fe -0.21908774 1.60609294 1.27202022 -1.42262169 -0.07772515 0.91937405