864 Lattice="21.517513172748085 0.0 0.0 0.0 21.517513172748085 0.0 0.0 0.0 21.517513172748085" Properties=species:S:1:pos:R:3:forces:R:3 energy=-2856.2440493892313 stress="-0.005073861784748674 -0.0005317797805747464 -0.0002045717614762546 -0.0005317797805747464 -0.005158759673191114 -0.0006323412926227896 -0.0002045717614762546 -0.0006323412926227896 -0.00501267569120316" pbc="F F F" Ni 0.00626289 0.00816909 0.00744122 -0.30298378 -0.42641738 -0.40339207 Ni 1.80527345 1.81326602 0.03358616 0.56120611 0.21704687 -1.16186835 Ni 1.80784100 0.01235450 1.82496745 0.63134294 -1.17741603 0.21548374 Ni 0.03548180 1.78633941 1.78949391 -1.17457071 0.73738177 0.93418278 Ni 3.58221750 0.02359575 0.01075869 -0.09063122 -0.94607714 -0.74501866 Ni 5.34870823 1.77171370 0.02582602 0.50063437 0.91569468 -1.04661345 Ni 5.36576249 0.01307968 1.82128735 0.43377419 -1.14190040 0.14865339 Ni 3.61244463 1.76958149 1.80705807 -0.32532666 1.48006765 1.13724512 Ni 7.18551725 0.02937636 0.03456491 -0.36891320 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0.47902750 0.69801783 Ni 3.57398087 12.56538645 1.82425545 0.20321708 -0.28071183 0.72931535 Ni 7.20368283 10.73108074 0.01528875 -0.27529671 0.34369899 -0.66735308 Ni 8.99492997 12.61131698 0.02068510 -0.50269612 -0.50830208 -0.75076550 Ni 8.98169969 10.79450770 1.79500676 -0.22208677 -0.30121296 1.13868589 Ni 7.14826743 12.52351644 1.81290386 0.33721097 0.01451070 0.70387427 Ni 10.72697239 10.74738878 0.01450175 0.25389839 0.37579233 -0.72371327 Ni 12.56232243 12.55326562 0.03242947 -0.35016941 -0.21856457 -1.10056647 Ni 12.58027694 10.79966555 1.78856201 -0.47229031 -0.43091885 1.12360668 Ni 10.77151175 12.58461451 1.81590151 0.07939038 -0.35408937 0.80471054 Ni 14.37092984 10.80688999 0.02115155 -0.25960624 -0.62262404 -0.80195664 Ni 16.10066230 12.53068742 0.02981079 0.43187288 0.41666972 -0.65179522 Ni 16.16370788 10.72693495 1.81565565 -0.26622066 0.66330894 0.72764633 Ni 14.32822646 12.55887375 1.79764685 0.49782699 -0.06299582 1.29943209 Ni 17.94277268 10.80853992 0.03470026 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12.56074051 17.93921973 1.80755498 -0.34153461 -1.15723008 0.69691809 Ni 10.75052177 19.69864417 1.82138309 0.36042384 0.99003472 0.49486052 Ni 14.35052467 17.90884921 0.02090467 0.00419064 -0.37879452 -1.07808866 Ni 16.16415320 19.72857888 0.02695935 -0.34002280 0.77558273 -1.03896696 Ni 16.11211632 17.95380613 1.77735725 0.35762050 -1.18040450 1.48369925 Ni 14.35709550 19.71108940 1.78202092 -0.08182279 1.14227065 0.89636057 Ni 17.94057520 17.95103580 0.01737705 -0.77967572 -0.81110799 -1.23150484 Ni 19.73508877 19.71901861 0.00122079 0.48740255 0.58530719 -0.54530995 Ni 19.72867506 17.95036812 1.76385913 1.12242195 -0.91975423 0.90090900 Ni 17.92345613 19.71279723 1.76776362 -0.41986018 1.24282189 0.94111629 Ni 0.02283741 0.00402476 3.56014094 -0.87322685 -0.75505041 0.22860520 Ni 1.82680630 1.76470891 3.61886739 0.66471771 1.41907551 -0.26194499 Ni 1.76660708 0.03382655 5.39815367 1.35549620 -1.24525625 -0.23103155 Ni 0.00938165 1.78039006 5.37933029 -1.02653862 1.08296800 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