864 Lattice="20.912961959838867 0.0 0.0 0.0 20.912961959838867 0.0 0.0 0.0 20.912961959838867" Properties=species:S:1:pos:R:3:forces:R:3 energy=-3543.9881659396397 stress="-0.006706437940738237 5.2409932904450255e-06 0.00026717559949625475 5.2409932904450255e-06 -0.006766892569761168 0.00033735353140445986 0.00026717559949625475 0.00033735353140445986 -0.00658454722690407" pbc="F F F" Ni 0.00141620 0.00984905 0.00711664 0.45303147 0.41465047 0.41180197 Ni 1.75596526 1.73041255 0.01038130 -0.11956505 0.24361316 -0.26100597 Ni 1.72157341 0.01977474 1.76416650 0.17649455 -0.37349136 -0.20916151 Ni 0.01279278 1.73731425 1.72425404 -0.24833426 0.22271040 0.19563486 Ni 3.45591908 0.03257280 0.01555035 0.09234262 -0.08892113 0.15450938 Ni 5.22684630 1.70949463 0.02046299 -0.24381910 0.49180724 -0.32032088 Ni 5.23478250 0.00134399 1.72787626 -0.32083447 -0.24148404 0.24315871 Ni 3.45163861 1.78449537 1.76057741 0.48344441 -0.23645668 -0.18037390 Ni 6.95414611 0.02935146 0.03432921 0.10667236 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0.13489938 0.66780995 Ni 3.46639877 12.16690875 1.71152359 0.33134489 0.58157228 0.69893048 Ni 6.96496772 10.42576944 0.02389295 -0.11453795 0.00911625 -0.42707240 Ni 8.68659080 12.17181054 0.01564011 0.23647227 -0.06500484 -0.45267258 Ni 8.71206843 10.41745442 1.71666363 0.17868363 0.31439834 0.61760558 Ni 6.99711542 12.17537044 1.74817289 -0.45166393 0.02068984 0.29502915 Ni 10.48355400 10.46301079 0.01713189 -0.07844044 -0.15531629 -0.17890965 Ni 12.20010697 12.21983170 0.01300049 -0.02930063 -0.03183593 -0.22613759 Ni 12.23406073 10.47214811 1.76356167 -0.59831184 -0.51220522 -0.16861005 Ni 10.44108512 12.23404897 1.72213949 0.14828026 -0.49799073 0.45676173 Ni 13.94132814 10.47864063 0.03264675 -0.10923042 -0.18841187 -0.56779404 Ni 15.69977641 12.18336806 0.02348825 -0.08693416 0.33591171 -0.34909991 Ni 15.67295607 10.47013485 1.72379463 0.16907358 -0.32202025 0.52930579 Ni 13.92548532 12.17794964 1.73459340 0.34049855 0.62186886 0.22191044 Ni 17.41648400 10.42314920 0.02630490 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