500 Lattice="17.796393973792046 0.0 0.0 0.0 17.796393973792046 0.0 0.0 0.0 17.796393973792046" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1907.2295424098743 stress="-0.005913414443893034 -4.8149003683655454e-05 -7.83029299775622e-05 -4.8149003683655454e-05 -0.005715466667836147 0.00012109697473288433 -7.83029299775622e-05 0.00012109697473288433 -0.0058538278705902265" free_energy=-1907.2295424098743 pbc="F F F" Fe 0.01666229 0.00679708 0.00703420 1.15634178 1.09548553 1.10439310 Fe 1.80245940 1.80555104 0.02243801 -0.68827515 -0.59367383 -0.19479355 Fe 1.77727033 0.01096717 1.80917010 -0.31295936 -0.16631431 -0.59876352 Fe 0.00090458 1.74974622 1.76106637 -0.10953313 -0.23297122 -0.40455696 Fe 3.53526929 0.02730893 0.01101678 -0.00241372 0.69453220 0.69727535 Fe 5.37210231 1.74548055 0.00215649 -0.08058181 -0.27371109 -0.03687364 Fe 5.36079018 0.01564095 1.80674165 -0.14179010 -0.13050236 -0.52264369 Fe 3.55085760 1.80973734 1.75558933 0.34846428 -0.53937290 0.14942660 Fe 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