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=-10.8216878741095 stress="-27.38107536722677 8.90851194515454 -3.003545082902434 8.90851194515454 -19.959051232661448 -3.75135229632202 -3.003545082902434 -3.75135229632202 -14.039423217594972" pbc="F F F" Zr -0.00957146 -0.14312801 -0.02335587 -7.99041349 -3.75899327 -7.02633995 Zr 1.74122900 1.52201293 -0.18365652 2.35754431 3.67931997 -1.91371330 Ni 1.42534241 -0.01433724 1.31443107 16.61362733 -11.11373100 4.25402139 Ni 0.04376171 1.22051529 1.69273990 -10.98075815 11.19340430 4.68603186