864 Lattice="20.989376449584967 0.0 0.0 0.0 20.989376449584967 0.0 0.0 0.0 20.989376449584967" Properties=species:S:1:pos:R:3:forces:R:3 energy=-3577.716852147616 stress="-0.006572675149717509 -0.00016393024342835005 -0.0001443028063328196 -0.00016393024342835005 -0.006383915026627998 -3.5698999454154904e-05 -0.0001443028063328196 -3.5698999454154904e-05 -0.006328161225099679" pbc="F F F" Ni 0.00006993 0.00798553 0.00792517 0.58815569 0.63361746 0.70594446 Ni 1.71576455 1.71698424 0.01157290 0.17548194 0.13954503 -0.35067805 Ni 1.77823385 0.02431294 1.70611450 -0.30517983 -0.26521886 0.29874231 Ni 0.03335898 1.77907155 1.76264947 -0.25699711 -0.46014272 -0.22063287 Ni 3.48413352 0.02090007 0.00591573 0.19902511 0.21782698 0.20423493 Ni 5.22094008 1.76147361 0.02548400 0.45490689 -0.27049642 -0.38357153 Ni 5.27310656 0.03402633 1.76669885 -0.18799356 -0.31044938 -0.22327814 Ni 3.51845410 1.77381313 1.71776638 -0.45145622 -0.41211575 0.47491413 Ni 7.00697307 0.00625181 0.02668250 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