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=14.084058504742153 stress="-2.1701683902464075 -0.07508383164873049 0.07837989065587897 -0.07508383164873049 -2.208051570020689 -0.17501352603363862 0.07837989065587897 -0.17501352603363862 -2.676995801474299" free_energy=14.084058504742153 pbc="T F T" Ni 0.03848316 0.19178619 0.17895518 11.74917591 -21.96018261 -12.53013410 Ni 1.79140871 1.61455359 0.03253581 -16.87769430 19.40608577 -3.08457077 Ni 1.64904689 0.10609294 1.46603997 -16.65687498 -23.95874941 7.01559952 Ni -0.19401975 1.32157598 1.51361598 21.78539337 26.51284625 8.59910535