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=-10.897127000795866 stress="-22.08206082913953 -0.3413736477976943 7.451712260552842 -0.3413736477976943 -13.570758149962309 1.7164669752716604 7.451712260552842 1.7164669752716604 -24.55786591145016" pbc="F F F" Zr -0.17070544 -0.21252151 -0.10523254 -3.72200728 -3.65369325 -5.22115973 Ni 1.37993804 1.78095696 -0.17535412 8.97550429 4.50521491 -11.96620919 Zr 1.76008946 -0.12324026 1.32230465 7.15443118 -4.24057937 2.22163757 Ni 0.28460712 1.25346517 1.26772449 -12.40792819 3.38905770 14.96573136