500 Lattice="18.528252466252283 0.0 0.0 0.0 18.528252466252283 0.0 0.0 0.0 18.528252466252283" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1474.3671652016542 stress="-0.004952858686303667 -0.0004164319501785276 -0.0002270953081556665 -0.0004164319501785276 -0.004765911904394262 -6.731066780319389e-05 -0.0002270953081556665 -6.731066780319389e-05 -0.00460017804041799" free_energy=-1474.3671652016542 pbc="F F F" Fe 0.02664833 0.00042345 0.00291920 -0.42761371 -0.50323440 -0.46354070 Fe 1.81641135 1.87629788 0.02624044 0.78137421 0.46395079 -1.14364595 Fe 1.87551206 0.03068243 1.82476515 0.53074784 -1.05425199 0.82670091 Fe 0.00501674 1.82940813 1.82906869 -0.99129948 0.92105674 0.80655849 Fe 3.68929563 0.03356995 0.00928133 0.31133292 -0.34115659 -0.51216470 Fe 5.57979974 1.88075025 0.02775756 -0.47288270 0.41859166 -0.83568411 Fe 5.59393166 0.01615888 1.86090299 -0.48903493 -0.68529746 0.43724356 Fe 3.66900184 1.88601741 1.88970734 0.61741882 0.47416793 0.51203709 Fe 7.39098607 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