500 Lattice="17.445915939355384 0.0 0.0 0.0 17.445915939355384 0.0 0.0 0.0 17.445915939355384" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1996.7418254676038 stress="-36.8377657891608 1.1887849919057096 -1.3518946660508249 1.1887849919057096 -33.376507343013294 -0.6881754997113667 -1.3518946660508249 -0.6881754997113667 -35.07406050279701" pbc="F F F" Ni 0.00164088 -0.02654702 0.02267143 0.15583412 0.31557861 0.41836078 Ni 1.70991977 1.71304425 0.03414838 0.51143675 0.46269915 -0.63654769 Ni 1.71420504 0.03392050 1.75125484 0.65221910 -0.31066544 0.33090267 Ni 0.01174360 1.77705288 1.74233912 -0.51074909 -0.21714760 0.16412575 Ni 3.50190325 -0.00219342 0.02074117 -0.41683659 0.05958924 -0.00580606 Ni 5.20596218 1.75681933 0.02758069 0.36349643 0.10423804 -0.28951555 Ni 5.20608492 -0.01550371 1.73635568 0.25326532 0.08838402 0.32793627 Ni 3.47027597 1.77874074 1.72072248 -0.15188505 -0.38023560 0.60156370 Ni 6.95415588 0.01922607 0.01846171 0.11935517 -0.06662236 -0.03478104 Ni 8.71247877 1.75874529 -0.00288508 0.11248944 -0.18817804 -0.14324989 Ni 8.75446709 -0.03308547 1.74573947 -0.20473391 0.17707607 0.00399895 Ni 6.97865205 1.71788289 1.73352983 0.07243225 0.14987060 0.13408795 Ni 10.44528173 -0.02114211 -0.02496259 0.20644573 0.31098630 0.18174229 Ni 12.23376874 1.75704384 -0.01635687 -0.20557313 -0.18617274 -0.11197980 Ni 12.24547225 -0.01237354 1.71204248 -0.28191494 0.11143164 0.31207871 Ni 10.46892353 1.75551175 1.71446157 0.26283621 -0.32651516 0.29991639 Ni 13.98202192 -0.00633907 -0.00282955 -0.18614461 0.13881976 -0.12025563 Ni 15.72637057 1.75467221 0.03673359 -0.06253439 0.25461089 -0.31123723 Ni 15.72222025 0.02641437 1.71283870 -0.06073828 -0.25904484 0.56274545 Ni 13.97379864 1.71334730 1.72866629 -0.33841357 0.36463128 0.37993306 Ni 0.03008447 3.52027905 0.00464439 -0.13731406 -0.10682067 -0.03076085 Ni 1.77231783 5.22406614 0.00777116 -0.00241269 0.36465328 -0.01500173 Ni 1.73394795 3.46877017 1.72823376 0.34374575 0.34928840 0.35360189 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