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=-9.184071664282321 stress="-14.920234828492951 2.4447151554235518 16.946767607829685 2.4447151554235518 -5.761029125160851 -0.42361855128389436 16.946767607829685 -0.42361855128389436 -29.880021608684068" pbc="F F F" Ni -0.13198341 -0.27930148 0.13152724 -0.96726817 -1.13138318 -0.09311915 Zr 1.22956938 1.50796858 0.03926819 10.96537101 0.93685379 -17.86845940 Ni 1.73010044 0.09566688 1.62528982 1.56107893 -2.34156232 1.77050591 Zr 0.12033173 1.67828948 1.71182891 -11.55918176 2.53609171 16.19107264