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=-3.0045245347930347 stress="-1.8283800639473726 0.1614839406506002 0.254921655500209 0.1614839406506002 -1.681096443352471 0.45871038119882424 0.254921655500209 0.45871038119882424 -2.0245595014392523" pbc="T F T" Fe -0.26612504 0.08501927 0.06603388 6.59541731 -14.36128580 2.43557791 Fe 1.47360598 1.66501753 0.22580078 1.01177619 13.40792847 -3.56936669 Ni 1.42866320 0.18883157 1.49955875 -3.50319134 -18.18623493 6.58304754 Ni 0.04313966 1.44832183 1.75980354 -4.10400216 19.13959225 -5.44925875