864 Lattice="21.026900677151122 0.0 0.0 0.0 21.026900677151122 0.0 0.0 0.0 21.026900677151122" Properties=species:S:1:pos:R:3:forces:R:3 energy=-3598.0013502912566 stress="-34.452557560368625 -0.8673604329846114 0.02554208978489214 -0.8673604329846114 -36.196462522848236 -0.12125838501560793 0.02554208978489214 -0.12125838501560793 -36.314075722161604" pbc="F F F" Ni 0.01929722 0.01771430 -0.00983617 0.48542822 0.44835801 0.42155079 Ni 1.78367059 1.77812921 -0.00444030 0.16736723 -0.10434201 -0.00592461 Ni 1.75015878 -0.02280786 1.77806609 0.30475881 0.04624864 -0.27139252 Ni 0.02637441 1.74398144 1.75330691 -0.27464257 0.17350984 0.22343383 Ni 3.53689454 -0.03334650 -0.01071345 -0.30459997 0.25200447 0.40681352 Ni 5.22417440 1.72153269 -0.00536291 0.27203514 0.45550483 -0.14897175 Ni 5.27320745 -0.02666494 1.78047582 -0.13819649 -0.07813195 0.11946762 Ni 3.53657349 1.78167800 1.74810758 -0.34141861 -0.34782032 0.20570973 Ni 7.00526986 0.02416847 -0.02548336 -0.08046923 -0.05651127 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