500 Lattice="18.42854534469786 0.0 0.0 0.0 18.42854534469786 0.0 0.0 0.0 18.42854534469786" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1546.327638497725 stress="-0.004105199368250694 1.914874980119369e-05 -0.0005796976170627204 1.914874980119369e-05 -0.00407178183979694 -2.453201808946331e-05 -0.0005796976170627204 -2.453201808946331e-05 -0.004119556256281075" free_energy=-1546.327638497725 pbc="F F F" Fe 0.03573930 0.03567856 0.01623028 -0.64018322 -0.55132428 -0.54416143 Fe 1.83705902 1.84633964 0.01678516 0.85641322 0.79668881 -0.95465659 Fe 1.85346684 0.00472263 1.81589514 0.53288670 -0.90024368 0.99706261 Fe 0.00838701 1.85284615 1.85363394 -0.96453237 0.41532511 0.53720767 Fe 3.69681133 0.01693978 0.02637744 -0.00480118 -0.59875392 -0.82773023 Fe 5.51509071 1.87169781 0.03543372 0.06134770 0.24903390 -1.23643259 Fe 5.52659146 0.03318070 1.81778606 0.12918629 -1.02606968 1.09709303 Fe 3.71406510 1.84407103 1.86616940 -0.62699107 0.95695405 0.84420916 Fe 7.38697135 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