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=2.317951564295882 stress="-1.4333724284990599 -0.31232326241570624 0.3778222020599812 -0.31232326241570624 -2.220139767959028 0.3782178510006779 0.3778222020599812 0.3782178510006779 -2.016929314217387" pbc="F T T" Fe 0.22094491 0.23171545 0.18190327 -13.68266004 -0.64980673 -5.33691765 Fe 1.32183498 1.71219253 -0.07514625 13.19258685 -14.24579816 10.54884125 Fe 1.62990665 -0.21779550 1.78278197 15.47085758 16.89103481 -14.44196034 Fe 0.06210000 1.70397289 1.32702941 -14.98078438 -1.99542992 9.23003674