864 Lattice="21.529858195911146 0.0 0.0 0.0 21.529858195911146 0.0 0.0 0.0 21.529858195911146" Properties=species:S:1:pos:R:3:forces:R:3 energy=-2835.4305186673105 stress="-19.680462971615164 0.1671738374764118 2.1501771728764183 0.1671738374764118 -18.974008974118306 0.9500126756424834 2.1501771728764183 0.9500126756424834 -18.404677744713965" pbc="F F F" Ni -0.01955225 -0.01415969 0.02578879 -0.38196256 -0.44483859 -0.35972792 Ni 1.76957174 1.78135306 0.01391228 0.60061261 0.76400235 -1.04536095 Ni 1.80221490 0.01409642 1.81027528 0.49319781 -1.17774399 0.42780747 Ni -0.01090157 1.80768462 1.78833353 -0.93206330 0.68868107 0.88279105 Ni 3.57224777 0.02101024 -0.03273928 0.01525219 -0.78677174 -0.47710372 Ni 5.36399065 1.75940130 -0.02323365 0.15067280 1.03398969 -0.69772453 Ni 5.41657490 0.02085231 1.77312200 -0.35272816 -0.87093212 1.03809730 Ni 3.56799988 1.77796578 1.81625997 0.42340414 1.15103698 0.56896332 Ni 7.18785654 -0.02051255 0.00417598 0.33273429 -0.47068197 -0.61778378 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