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=-2.1942107201262644 stress="-20.457755980798563 8.150866788489406 -9.157789906358207 8.150866788489406 -26.447460456746356 -1.8798273806008972 -9.157789906358207 -1.8798273806008972 -24.49343396049376" pbc="F F F" Ni 0.29768454 -0.01726309 -0.13934333 -11.39172062 -2.74574079 -14.19453110 Ni 1.67089611 1.47011124 -0.08567951 3.82920922 4.35154451 -1.03628899 Ni 1.21755886 -0.14458569 1.39917148 16.19194437 -14.84831631 11.64038182 Ni 0.26235339 1.34838096 1.71005355 -8.62943297 13.24251259 3.59043826