256 Lattice="14.600543975830078 0.0 0.0 0.0 14.600543975830078 0.0 0.0 0.0 14.600543975830078" Properties=species:S:1:pos:R:3:forces:R:3 energy=-872.9412021875813 stress="-0.004689482683568248 -7.547442891081905e-05 -0.00014408142962565174 -7.547442891081905e-05 -0.004749833788522909 0.00010618612289165089 -0.00014408142962565174 0.00010618612289165089 -0.004695346388355389" free_energy=-872.9412021875813 pbc="F F F" Fe 0.02393697 0.02089264 0.01923509 0.20936581 0.18888907 0.21774503 Fe 1.80280573 1.81726295 0.00343912 0.08067611 -0.05029460 -0.23338553 Fe 1.79235885 0.00827274 1.85737738 0.17127844 -0.21802540 -0.22039501 Fe 0.01898025 1.82274370 1.80854279 -0.30782060 -0.02689804 0.04114497 Fe 3.62451239 0.00331976 0.03151613 -0.07397418 0.07635057 0.09050194 Fe 5.45089642 1.78970422 0.00176051 0.14169256 0.14968722 -0.22950343 Fe 5.45850673 0.00929962 1.80028644 0.03908262 -0.22406410 0.09075183 Fe 3.68511814 1.86195142 1.81337911 -0.15656893 -0.10073187 0.12426763 Fe 7.33081208 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