4 Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=8.469098167295206 stress="-2.6022898563589556 0.2433160900508368 -0.2594109634541193 0.2433160900508368 -2.3963119428738766 0.41064134003468933 -0.2594109634541193 0.41064134003468933 -2.576783300945598" free_energy=8.469098167295206 pbc="T T F" Fe 0.25398776 2.70245745 0.16431082 -22.27780860 36.30767065 -42.03300750 Fe 1.31425730 1.48844065 0.03277713 16.15568128 -21.82789515 -14.52922016 Fe 1.23068471 2.87366136 1.46097674 12.26588666 10.37374285 27.25484946 Fe 2.66420504 1.71813893 1.26716069 -6.14375934 -24.85351835 29.30737820