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=-9.909967163212919 stress="-13.22553478837799 -8.246926001815893 0.16457604874037757 -8.246926001815893 -21.372917295793304 11.33013834396514 0.16457604874037757 11.33013834396514 -24.367624141217956" pbc="F F F" Ni 0.23110688 -0.00183978 0.01283276 -6.93740716 -6.47700319 -5.01304612 Zr 1.70071341 1.32858036 0.14720807 8.09829407 13.33544606 -10.03767946 Zr 1.38166967 -0.04293576 1.77559981 0.43373829 -8.93264890 13.41411144 Ni -0.28637262 1.57181068 1.27793660 -1.59462521 2.07420603 1.63661414