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=19.373801215839677 pbc="T T F" Ni 0.35633416 -0.04539058 0.07327937 28 -19.74249411 11.23549462 -39.82601637 Zr 1.67000847 1.62961200 -0.12574141 40 11.87402995 -10.82230905 -49.63250638 Ni 1.65720406 -0.23435154 1.38507600 28 19.21096943 11.34286569 43.47475897 Zr 0.29768454 1.48273691 1.36065667 40 -11.34250528 -11.75605126 45.98376378