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=-6.2093062844619995 stress="0.5138710619859681 -0.09965092048424704 -0.026009502042999455 -0.09965092048424704 -2.4242869127670597 1.8135165026536484 -0.026009502042999455 1.8135165026536484 -2.0021319784525193" pbc="F F F" H -0.02335587 0.29455104 0.25311982 0.17671097 -0.22720500 -0.21050081 Ni 1.31634348 1.42534241 -0.01433724 -0.18555004 1.62710659 -1.48020584 Ni 1.31443107 0.04376171 1.22051529 -0.23821163 -1.58481225 1.46536390 H 0.19273990 1.30538954 1.09030704 0.24705070 0.18491067 0.22534274