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=-5.476434120684776 stress="-0.7290619544946861 2.4763062447055604 -0.1573825868221561 2.4763062447055604 -2.635310564142769 -1.1939910786705785 -0.1573825868221561 -1.1939910786705785 2.384561648041921" pbc="F F F" H 0.29768454 0.19485422 -0.13934333 0.21672626 0.12550360 0.53942496 H 1.67089611 1.47011124 -0.29779682 -0.47294263 -0.47229637 0.87482044 Ni 1.21755886 -0.14458569 1.39917148 1.45263476 -1.90062858 -1.14519642 Ni 0.26235339 1.34838096 1.65974045 -1.19641839 2.24742135 -0.26904898