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=36.60323323772235 stress="-7.235027398374012 0.8515404156664053 -2.4676355474531984 0.8515404156664053 -5.5661272080249695 -0.6792525835070629 -2.4676355474531984 -0.6792525835070629 -7.293927262806901" free_energy=36.60323323772235 pbc="T T F" Fe 0.14302402 2.79356966 0.11042859 -5.59134468 35.71984469 -53.40652517 Fe 1.70947124 1.51001633 0.05280714 -52.01651897 -42.64988550 -108.07636954 Fe 1.41333883 2.54901236 1.37241235 -3.05013271 54.65161820 74.01770333 Fe 2.82230844 1.41049160 1.22286420 60.65799637 -47.72157740 87.46519138