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=-7.691405995520942 stress="-0.16551332116948908 0.09255928658826187 -0.0014036303811082204 0.09255928658826187 -0.059542460736898006 0.0074011661664610835 -0.0014036303811082204 0.0074011661664610835 0.009811347464336595" pbc="F T F" H 0.23848512 -0.25744334 0.34139725 -0.13241670 0.09305273 0.20834914 H 1.57392677 0.97639725 0.14526935 0.10747776 0.04057327 -0.00660366 Ni 1.53806039 0.25177385 1.67010571 3.18410088 -1.88479488 0.02557440 Ni 0.17918122 1.51699955 1.66192607 -3.15916194 1.75116888 -0.22731989