864 Lattice="20.9643320462186 0.0 0.0 0.0 20.9643320462186 0.0 0.0 0.0 20.9643320462186" Properties=species:S:1:pos:R:3:forces:R:3 energy=-3516.5343991541645 stress="-48.70752551347271 0.24727922307296524 -1.7967000264546797 0.24727922307296524 -45.165133179260366 -5.781107916011576 -1.7967000264546797 -5.781107916011576 -49.561808509356" pbc="F F F" Ni -0.02878109 -0.00134992 0.02336845 0.43534514 0.42201878 0.20651335 Ni 1.77454531 1.74851509 0.02049288 -0.25923608 0.25551615 -0.05199638 Ni 1.72848250 0.02713482 1.72587381 0.29109790 -0.27170116 0.34113282 Ni -0.02671981 1.71225730 1.75393816 0.12898191 0.58574146 0.28996470 Ni 3.50623788 0.03360614 -0.00872707 -0.12591325 -0.08706508 0.20403655 Ni 5.24957172 1.72974065 -0.03247403 -0.05762130 0.16125429 -0.00700733 Ni 5.27252593 -0.02997420 1.72827586 -0.33643942 0.06507780 0.31130955 Ni 3.53496687 1.76197069 1.75426802 -0.34873258 -0.35658715 -0.09862217 Ni 6.99510137 -0.00887569 0.02879071 0.10774850 0.00659975 -0.28639772 Ni 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