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=0.674333777602923 stress="-1.8333614032410737 -0.10894631358423659 0.06606455475288146 -0.10894631358423659 -1.552256249075324 -0.17530134199680086 0.06606455475288146 -0.17530134199680086 -2.208827365119863" free_energy=0.674333777602923 pbc="T F T" Ni 0.03848316 0.19178619 0.17895518 9.64846774 -15.49140269 -10.93568342 Ni 1.79140871 1.61455359 0.03253581 -13.79993847 12.23616313 -2.52766997 Ni 1.64904689 0.10609294 1.46603997 -14.71461425 -17.13225994 5.66140043 Ni 2.80598025 1.32157598 1.51361598 18.86608498 20.38749950 7.80195296