108 Lattice="10.73003177383636 0.0 0.0 0.0 10.73003177383636 0.0 0.0 0.0 10.73003177383636" Properties=species:S:1:pos:R:3:forces:R:3 energy=-363.16063087399937 stress="-0.006935962708771278 -0.00025823080400222333 0.0004910528027850424 -0.00025823080400222333 -0.006552059498174474 -0.000487640398027154 0.0004910528027850424 -0.000487640398027154 -0.006843575932918162" free_energy=-363.16063087399937 pbc="F F F" Fe 0.00457551 0.01067369 0.02769638 0.35377901 0.33643595 0.38518732 Fe 1.75796882 1.81935859 0.00092121 0.09807488 -0.28715668 -0.21310608 Fe 1.80342711 0.01490241 1.80326241 -0.30863075 -0.25543475 -0.37637932 Fe 0.01771015 1.82375703 1.77778966 -0.32662362 -0.30564337 -0.18524873 Fe 3.59408044 0.00612409 0.02057502 -0.05092335 0.18726064 0.10155652 Fe 5.37425700 1.81662301 0.02849552 -0.05045306 -0.35410824 -0.26384452 Fe 5.35170529 0.00183788 1.81759105 0.08718763 -0.05192381 -0.17997011 Fe 3.55051336 1.77931991 1.78788953 0.19980878 -0.09861410 -0.18049174 Fe 7.12454998 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