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=18.288641938458504 stress="-3.9326006040289614 -0.4639659207663799 2.2858857648394557 -0.4639659207663799 -2.2111678797261023 3.4305465750248545 2.2858857648394557 3.4305465750248545 -2.208196731503092" free_energy=18.288641938458504 pbc="T T F" Ni 0.06504129 2.70865944 0.22277084 70.67368819 76.59133437 -1.87793149 Ni 1.68584377 1.68362810 0.34882151 -42.15917603 -4.27640039 -56.28646851 Ni 1.64685009 0.26959405 1.67626233 -109.72979382 -1.60888669 -38.61119440 Ni 2.85402479 1.74844657 1.49207130 81.21528166 -70.70604728 96.77559440