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=-0.47032715243676565 stress="-2.7941371320340616 0.1797736029732879 0.29659050783429003 0.1797736029732879 -2.6271334780997115 0.1223192721897261 0.29659050783429003 0.1223192721897261 -2.816544287029084" pbc="T T T" Ni 0.16431082 -0.18574270 -0.07855343 -6.30958798 8.64902501 4.94168606 Ni 1.53277713 1.39971974 -0.12633864 -1.58602836 -7.48554704 6.14140862 Ni 1.46097674 -0.21780693 1.71813893 -0.92257580 12.30076010 -11.61152602 Ni -0.23283931 1.69410236 1.33096497 8.81819214 -13.46423807 0.52843134