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=257.96386462603897 stress="-53.75888603408947 -1.1021649277385563 0.666761882891389 -1.1021649277385563 -55.779618494259 -0.8004635932713273 0.666761882891389 -0.8004635932713273 -55.64749243883511" pbc="T T T"
Ni       0.12324216       0.24667518       0.11478237     -36.34598650     -47.08286573     -28.82823294 
Zr       1.21621014       1.51898074       0.16613401      57.81145686      22.33135033     -29.90519511 
Zr       1.60869014      -0.12110637       1.57165922      11.50172915       5.51013611      14.08497666 
Ni       0.09020594       1.47461514       1.45677659     -32.96719951      19.24137929      44.64845139