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:Z:I:1:forces:R:3 energy=11.0919429218 pbc="F T T" Ni 0.10361054 -0.12747798 0.03320948 28 -14.34425545 10.35069381 -5.03275832 Ni 1.44057204 1.51346176 0.05575099 28 18.80553292 6.69567449 -7.46831760 Ni 1.53502127 0.40937571 1.46427615 28 16.06056629 -16.09438983 4.89294406 Ni 0.16593146 1.62557069 1.42940609 28 -20.52184377 -0.95197848 7.60813187