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=5.8451987937273335 stress="-2.5588131366361924 0.07394233971582388 -0.16573060350836677 0.07394233971582388 -2.130754361569818 -0.6718015252721096 -0.16573060350836677 -0.6718015252721096 -2.3664904143770737" pbc="T F F" Ni 0.24759167 0.11018303 0.18843096 -9.35195204 -29.38739170 -39.58850743 Ni 1.67061300 1.79169807 0.03851086 4.80064225 11.80097641 -14.76217223 Fe 1.64982991 0.28095696 1.32464588 14.44911313 -14.06485234 23.61542587 Fe 0.26008946 1.37675974 1.32230465 -9.89780334 31.65126763 30.73525379