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=-10.639466447977183 stress="-0.2893269936088193 0.0016638401659421806 -0.0027541659391855425 0.0016638401659421806 -0.2518792127075763 -0.01705437798830832 -0.0027541659391855425 -0.01705437798830832 0.22073342977343405" pbc="T T T" Ni -0.17082377 -0.07465759 -0.01433724 -0.10484460 1.79231264 1.28497152 Ni 1.31443107 1.54376171 -0.27948471 0.32934250 -1.88401502 -1.27349021 H 1.52132027 -0.04556260 1.35115011 -0.11469392 0.00572481 -0.01891002 H 0.05332204 1.34142898 1.44432401 -0.10980398 0.08597757 0.00742871