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=10.828592718506735 stress="-2.920832163807923 0.12376517100969428 -0.04676436001369403 0.12376517100969428 -2.557018576216665 0.6327973417495519 -0.04676436001369403 0.6327973417495519 -2.4341904503095697" pbc="T F F" Ni 0.08343331 0.22094491 0.23171545 -18.02624043 -18.62503291 -23.79962909 Ni 1.50893269 1.32183498 0.21219253 12.66546059 39.63910213 -32.57483890 Ni 1.42485375 0.12990665 1.28220450 17.08887738 -37.41417588 39.68117610 Ni 0.28278197 1.56210000 1.63362859 -11.72809753 16.40010665 16.69329189