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=12.215084208495995 pbc="T F T" Ni 0.26235339 -0.15161904 0.21005355 28 -13.77982767 -13.64918091 -19.03978878 Zr 1.71211731 1.44968690 0.29594673 40 -19.49659861 13.39166398 -30.73006651 Ni 1.65710459 -0.00957146 1.35687199 28 12.49095394 -21.89623279 26.70932590 Zr -0.02335587 1.74122900 1.52201293 40 20.78547234 22.15374972 23.06052939