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=-7.791882677993748 stress="-0.5081557233167605 -0.10240122852734318 0.019906287851858977 -0.10240122852734318 -0.7888845194685103 0.015116606363990136 0.019906287851858977 0.015116606363990136 -0.518613994756066" pbc="T F F" Fe 0.14904689 0.10609294 0.01361598 -6.02759571 -8.63351540 -3.44437302 Fe 1.35198705 1.47567541 0.06329927 6.54662557 9.08160636 -4.67827231 Fe 1.43745442 0.09073906 1.77219963 3.51142540 -6.19588396 4.14764551 Fe 0.11747042 1.63132919 1.75978669 -4.03045526 5.74779300 3.97499981