256 Lattice="14.591960906982429 0.0 0.0 0.0 14.591960906982429 0.0 0.0 0.0 14.591960906982429" Properties=species:S:1:pos:R:3:forces:R:3 energy=-880.1831058393141 stress="-0.0027976533609743908 0.00043792320503488794 1.0496331945039406e-06 0.00043792320503488794 -0.0026973373925296682 -0.0004677683669390987 1.0496331945039406e-06 -0.0004677683669390987 -0.002717171110687694" free_energy=-880.1831058393141 pbc="F F F" Fe 0.00882251 0.00137314 0.00153067 0.32049828 0.29988843 0.27063213 Fe 1.84455924 1.80022737 0.01503671 -0.23167770 0.17220264 -0.16953276 Fe 1.82503868 0.00576033 1.79380004 -0.02178887 -0.20409407 0.18977473 Fe 0.02967635 1.78688512 1.83972728 -0.13645892 0.17158221 -0.26021959 Fe 3.61858510 0.01823567 0.02609072 0.15500769 0.02205653 0.00772861 Fe 5.50592822 1.80607579 0.02248687 -0.25059523 0.13004329 -0.11043526 Fe 5.45754043 0.01491189 1.82950416 -0.00539020 -0.12003681 -0.06100551 Fe 3.64216075 1.83930851 1.80756446 -0.14430286 -0.19901587 -0.06430456 Fe 7.28370034 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