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:Z:I:1:forces:R:3 energy=1.6856362743960152 pbc="F T T" Ni -0.28678287 0.21736445 -0.19573839 28 -14.60353780 -4.49067807 1.53109872 Zr 1.70384132 1.29224623 -0.26785036 40 26.80157797 16.00069174 15.47806833 Ni 1.50041025 0.25551247 1.35444624 28 13.93638298 -20.01374878 -11.96729254 Zr -0.00811119 1.56482696 1.34620060 40 -26.13442315 8.50373512 -5.04187452