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=26.756265242759408 stress="-7.809214425705228 -0.7869842991903561 -0.8953499778764155 -0.7869842991903561 -7.85527093150861 0.5353474345491881 -0.8953499778764155 0.5353474345491881 -4.34310063852455" pbc="T T F" Ni -0.11020503 0.00239915 0.04278917 29.23389106 27.45904271 -32.28142259 Ni 1.73520322 1.74421963 0.09176916 -60.42971820 -20.16536260 -52.82489474 Zr 1.56487656 0.14248225 1.79553441 -15.65577278 -8.45496398 35.23622399 Zr -0.15874699 1.50601457 1.20763472 46.85159992 1.16128388 49.87009334