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=-8.813578205064573 stress="-0.23777722865863027 -0.014187737473143782 -0.02954453326016169 -0.014187737473143782 -0.402397321029456 -0.01867647374386403 -0.02954453326016169 -0.01867647374386403 -0.40629802879413635" pbc="T F F" Ni 0.27711528 0.13616082 0.12968218 -2.11880812 -3.39735398 -4.48745878 Ni 1.48545374 1.79977655 0.18543805 1.72337443 3.06403871 -2.70926993 Ni 1.45460942 0.07327937 1.69989723 2.28562410 -4.11587495 2.99682335 Ni 0.12961200 1.37425859 1.65720406 -1.89019040 4.44919022 4.19990535