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=-2.612372364076576 stress="-0.5857031732852147 0.025650711608692183 0.014754238240247743 0.025650711608692183 -0.6049624983298694 0.05929983093454973 0.014754238240247743 0.05929983093454973 -0.7160642934575718" pbc="F F T" Ni 0.21736445 0.20384132 -0.05189164 -5.75382168 -6.96235766 -1.49408090 Ni 1.23214964 1.50041025 0.25551247 6.02751271 7.47532467 -2.39198301 Ni 1.35444624 0.06482696 1.34620060 7.21644618 -6.27179496 2.09761156 Ni 0.01821382 1.20575425 1.46963223 -7.49013721 5.75882795 1.78845235