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=13.491384080827345 stress="-2.1461756323932355 -0.07486086877861203 0.07801651150057826 -0.07486086877861203 -2.20750249978866 -0.1752094374659926 0.07801651150057826 -0.1752094374659926 -2.654700085614515" free_energy=13.491384080827345 pbc="T F T" Ni 0.03848316 0.19178619 0.17895518 11.74730103 -21.95462022 -12.53685629 Ni 1.79140871 1.61455359 0.03253581 -16.88463761 19.39878452 -3.08064418 Ni 1.64904689 0.10609294 1.46603997 -16.65185312 -23.95348280 7.01844239 Ni -0.19401975 1.32157598 1.51361598 21.78918970 26.50931850 8.59905808