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=-5.685273853740255 stress="-8.867962301419958 -2.9368631992210403e-05 -0.05324348045026284 -2.9368631992210403e-05 -7.997087525338358 0.6137718635881577 -0.05324348045026284 0.6137718635881577 -7.935363716030683" pbc="F F F" Ni 0.05332204 -0.11563527 0.23110688 -2.75579556 -2.54583587 -2.81346616 Ni 1.49816022 1.51283276 0.20071341 3.59420300 2.21657840 -3.54183998 Ni 1.32858036 0.14720807 1.58942344 2.62061618 -2.31194813 4.21604732 Ni -0.04293576 1.77559981 1.21321713 -3.45902362 2.64120560 2.13925883