500 Lattice="17.938167732404743 0.0 0.0 0.0 17.938167732404743 0.0 0.0 0.0 17.938167732404743" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1822.2937874626357 stress="-0.004645743515191123 -5.524365883521926e-05 -0.00010684669109689584 -5.524365883521926e-05 -0.004681303957929978 -0.0003074889437083122 -0.00010684669109689584 -0.0003074889437083122 -0.0046862597090783584" free_energy=-1822.2937874626357 pbc="F F F" Fe 0.02801922 0.02875902 0.00253559 0.63492341 0.62686458 0.60396918 Fe 1.81925344 1.84373152 0.03259710 -0.21781618 -0.09977207 -0.61028420 Fe 1.79723195 0.01969123 1.78758127 -0.06999084 -0.63684094 -0.04131801 Fe 0.01701616 1.74622058 1.80923966 -0.52490654 0.17890014 -0.12809226 Fe 3.59936211 0.06137855 0.03012627 -0.15763734 -0.20841041 -0.12949745 Fe 5.35772932 1.76418488 0.01608786 0.26031173 0.36804273 -0.36387829 Fe 5.34588148 0.02047443 1.82447213 0.18540311 -0.48339626 -0.03992250 Fe 3.55586073 1.76050373 1.77407529 0.20790045 0.59833277 0.52892457 Fe 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