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=-9.89134456116 stress="-2.3994253880642487 -0.272520697607007 -0.8162796254817668 -0.272520697607007 -1.1410451897727292 -0.05533659824593457 -0.8162796254817668 -0.05533659824593457 -1.9921969275085019" pbc="F F F" Ni 0.12990665 -0.21779550 0.28278197 -6.45254501 -2.73808533 -5.05605833 Ni 1.43929504 1.43231865 -0.06255182 2.73449385 1.85192959 -2.34120711 Ni 1.57034430 -0.18411916 1.55473499 5.52147488 -0.53248173 5.26128344 Ni -0.08438932 1.63661615 1.40480033 -1.80342372 1.41863747 2.13598200