864 Lattice="21.529859740048508 0.0 0.0 0.0 21.529859740048508 0.0 0.0 0.0 21.529859740048508" Properties=species:S:1:pos:R:3:forces:R:3 energy=-2835.4029991530247 stress="-23.429383226715018 2.0186544778132394 -2.577618133953319 2.0186544778132394 -21.2030236932369 1.1248351038912006 -2.577618133953319 1.1248351038912006 -21.34221978736325" pbc="F F F" Ni -0.02358586 -0.01771845 -0.01460702 -0.34749850 -0.15705719 -0.23268642 Ni 1.80465716 1.78296344 -0.02006828 0.59237336 0.66264928 -0.67946785 Ni 1.78297394 -0.02218198 1.76824320 0.33784626 -0.65444311 0.97001522 Ni 0.01397776 1.86249482 1.78650859 -0.87856698 -0.39087750 0.56974706 Ni 3.57038495 0.00157321 0.02425574 0.27672405 -0.65202926 -0.70023520 Ni 5.40716048 1.77135558 0.00459700 -0.42985074 1.17798200 -0.87667427 Ni 5.41008821 0.01807458 1.76741396 -0.32744294 -1.33057607 0.80297462 Ni 3.61756528 1.80386331 1.82941764 -0.31863339 0.80439009 0.01884596 Ni 7.19341743 0.01547396 0.00326703 0.17028137 -0.73660871 -0.85075196 Ni 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12.58216862 5.38818695 -0.03248881 -0.23546403 -0.25467661 -0.60601227 Ni 12.52555967 3.60154171 1.80552449 0.51851134 0.22474232 0.92028892 Ni 10.76833653 5.41135325 1.76103602 -0.37084351 -0.68713315 1.13376848 Ni 14.38810180 3.56285661 0.02971412 -0.42280949 0.34448379 -1.01158212 Ni 16.16643078 5.36801658 -0.03053801 -0.20837470 0.35194563 -0.59528282 Ni 16.14195211 3.60215057 1.79383928 0.22045809 -0.01402212 1.33813877 Ni 14.37267370 5.38797703 1.76753349 -0.16498296 -0.27029852 1.41089322 Ni 17.92514528 3.57930235 -0.00007308 -0.38843324 0.34398653 -0.83895701 Ni 19.73768635 5.38858439 0.03213047 0.74331269 -0.21007131 -0.81623151 Ni 19.74370103 3.58472218 1.76509766 0.58697136 0.23383737 1.15236243 Ni 17.92028761 5.40846462 1.80347933 -0.95118195 -0.53029230 0.85913516 Ni -0.00164602 7.17052056 -0.01967494 -0.81331641 0.27755455 -0.57419421 Ni 1.78381015 8.97613286 -0.00269451 0.96922533 -0.36978458 -0.85804000 Ni 1.77057795 7.14918449 1.79912410 1.32464393 0.75136381 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