256 Lattice="14.168355973883301 0.0 0.0 0.0 14.168355973883301 0.0 0.0 0.0 14.168355973883301" Properties=species:S:1:pos:R:3:forces:R:3 energy=-952.0678729752617 stress="-0.006819603436903998 0.00015965904050066498 -0.0004654427406139827 0.00015965904050066498 -0.0067614042294993435 3.634022141654654e-05 -0.0004654427406139827 3.634022141654654e-05 -0.006607448716909806" free_energy=-952.0678729752617 pbc="F F F" Fe 0.03502941 0.00711926 0.02129594 1.02724304 0.98539260 1.02390141 Fe 1.79000152 1.75019946 0.01082682 -0.47753580 -0.29120903 -0.24756995 Fe 1.76779153 0.00633901 1.80290256 -0.30055841 -0.35601276 -0.70464098 Fe 0.01193695 1.76096255 1.77781048 -0.34380591 -0.26416800 -0.57315628 Fe 3.54486559 0.00219418 0.00261265 -0.07681776 0.51596114 0.63710501 Fe 5.31458969 1.78346900 0.03389779 -0.05510479 -0.58496499 -0.46120387 Fe 5.30749108 0.00730694 1.80334515 0.00735210 -0.33688768 -0.69071783 Fe 3.55604655 1.76917846 1.73153062 -0.25020419 -0.24379456 0.12670875 Fe 7.11837080 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