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=-8.37783177706 stress="-0.6512783755405402 0.3246910669454433 0.2574673201908502 0.3246910669454433 -0.6606869244086767 -0.10086476795534798 0.2574673201908502 -0.10086476795534798 -0.6005813872323849" pbc="F F F" Fe -0.27713580 -0.06141927 -0.24794580 -0.04499887 -0.68328718 -0.87549883 Fe 1.61586456 1.55988540 -0.07940362 1.17347978 0.22633277 -1.37299477 Fe 1.43147152 -0.18574270 1.48844065 1.33626921 -1.74088636 0.30274412 Fe 0.03277713 1.39971974 1.37366136 -2.46475012 2.19784076 1.94574948