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=1.1056913317087844 stress="-1.6884824198046533 -0.4590907636576273 0.4167032240388207 -0.4590907636576273 -1.9411157703727018 -0.364065986288037 0.4167032240388207 -0.364065986288037 -2.644979349203114" free_energy=1.1056913317087844 pbc="T T T" Fe 2.60704314 0.11042859 0.20947124 21.32435278 -5.10945753 -29.09107153 Fe 1.51001633 1.61269254 2.91333883 -8.76093049 -7.91269595 -7.92098753 Fe 1.51086573 2.68666965 1.32230844 -20.50361352 1.92909819 23.95418246 Fe 2.89893225 1.22286420 1.43858073 7.94019123 11.09305528 13.05787660