256 Lattice="14.363536834716797 0.0 0.0 0.0 14.363536834716797 0.0 0.0 0.0 14.363536834716797" Properties=species:S:1:pos:R:3:forces:R:3 energy=-960.5727746975366 stress="-0.0068975312101933785 -6.728480088654603e-05 -0.00010079437702138941 -6.728480088654603e-05 -0.00701137941910467 -8.867403777282446e-05 -0.00010079437702138941 -8.867403777282446e-05 -0.006988239792466853" free_energy=-960.5727746975366 pbc="F F F" Fe 0.03054442 0.01172609 0.01892285 0.04121581 0.03898217 0.07411240 Fe 1.77354122 1.78776375 0.00338329 0.30619279 0.04826822 -0.15662107 Fe 1.76326392 0.00813845 1.82722701 0.43517458 -0.20111611 -0.24958368 Fe 0.01867215 1.78615953 1.78801256 -0.31144542 0.09886664 0.13056431 Fe 3.56567655 0.02703537 0.00508247 -0.10422822 -0.10563837 0.03220132 Fe 5.36241332 1.76065238 0.00173193 0.33041825 0.33624441 -0.14844307 Fe 5.36990009 0.00914866 1.77106282 0.15920768 -0.19171135 0.23857863 Fe 3.62529850 1.79586059 1.79270792 -0.37466216 0.04806976 0.11403747 Fe 7.21181276 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