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=-6.248610077266927 stress="-0.6798930604961031 -3.035137192719152 2.1161615053907714 -3.035137192719152 1.5491371155580316 -0.9414892460827862 2.1161615053907714 -0.9414892460827862 2.054436346837271" pbc="F F F" Ni -0.15112699 0.22083292 -0.21015034 -0.67113175 -0.84350446 0.98295256 Ni 1.48735431 1.42299150 -0.09301634 1.93423281 0.44418233 0.12538744 Ni 1.68107110 -0.17174679 1.63102478 -1.37382006 1.39590487 -1.29232876 Ni 0.09995250 1.76120756 1.47625749 0.11071900 -0.99658274 0.18398876