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=0.2668658908597388 stress="-1.7455972944391247 -0.03306241787295931 0.3225302487876077 -0.03306241787295931 -2.0187043774076576 -0.2526979958153126 0.3225302487876077 -0.2526979958153126 -2.4887373772872525" pbc="F F T" Fe 0.17089611 0.26235339 -0.10785733 -13.18109082 -24.94837317 -3.19379491 Fe 1.71005355 1.71211731 -0.05031310 16.79649188 15.08631098 -3.40807351 Fe 1.79594673 0.15710459 1.49042854 13.85007898 -14.80728590 -2.52591419 Fe 0.24122900 1.52201293 1.31634348 -17.46548003 24.66934809 9.12778261