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=21.544776031580444 stress="-4.563715056441213 1.166980481789153 0.028158682446644434 1.166980481789153 -4.703387938786185 -0.1698295863593631 0.028158682446644434 -0.1698295863593631 -1.7833535403910556" pbc="F T F" Zr 0.18360837 0.15623146 0.14592855 -46.53731916 -19.55251682 -18.87755596 Zr 1.32706660 1.48569279 0.15154029 40.74187071 21.41017102 -12.91829896 Ni 1.28973682 0.29811016 1.57473240 62.86543341 -45.69058156 14.60001186 Ni 0.05926218 1.22754451 1.73715536 -57.06998496 43.83292736 17.19584305