864 Lattice="21.007231002672572 0.0 0.0 0.0 21.007231002672572 0.0 0.0 0.0 21.007231002672572" Properties=species:S:1:pos:R:3:forces:R:3 energy=-3569.0032547701126 stress="-0.006620205504155963 -0.00025974085027637915 0.00019584276688562981 -0.00025974085027637915 -0.0067358675138303814 0.00018089256037794873 0.00019584276688562981 0.00018089256037794873 -0.006600445767707819" pbc="F F F" Ni 0.01063270 0.03122861 0.02504855 0.49154959 0.44418367 0.45548300 Ni 1.77321617 1.71720689 0.00919251 -0.18617145 0.28340306 -0.28175773 Ni 1.76015260 0.01888375 1.73006011 -0.06628125 -0.26931785 0.30454602 Ni 0.02380125 1.74800807 1.73653313 -0.29912972 -0.09675720 0.10619090 Ni 3.48901482 0.01430216 0.01772877 0.26111068 0.23532873 0.21357863 Ni 5.26908318 1.77989565 0.01602350 -0.22511291 -0.31210567 -0.32028211 Ni 5.26555478 0.02010153 1.73117377 -0.01276833 -0.10926480 0.17931894 Ni 3.52133127 1.75716731 1.78066241 -0.23329048 -0.07985284 -0.42837339 Ni 6.97024047 0.00036523 0.01809134 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