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=3.3461652648253777 stress="-2.518429731244364 -0.01579735092971659 0.26403447515410017 -0.01579735092971659 -2.5902658521164104 0.6608008890503827 0.26403447515410017 0.6608008890503827 -2.28137648555479" pbc="T T F" Fe 0.20996341 -0.00792870 0.15300231 -5.64596996 5.57971016 -21.86799536 Fe 1.53848316 1.45774659 0.19178619 12.50765982 6.83180327 -28.02552123 Fe 1.67895518 0.29140871 1.61455359 0.37567856 -12.31117956 19.20838090 Fe 0.13862875 1.61508687 1.28091226 -7.23736842 -0.10033386 30.68513569