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=0.4854725050713495 stress="-58.360932921682775 -15.40683159595285 -20.490932224498593 -15.40683159595285 -46.17241087374521 3.4000694565680263 -20.490932224498593 3.4000694565680263 -35.22887626201314" pbc="F F F" Zr 0.25980354 -0.03332758 0.27143892 -38.90950575 -19.87173617 -23.59086077 Zr 1.40295338 1.60338854 0.24759167 15.03610313 24.52920369 -8.64998887 Ni 1.61018303 -0.07481803 1.24663523 29.37764806 -8.56612861 24.13429727 Ni -0.01297511 1.41720887 1.68843096 -5.50424544 3.90866110 8.10655238