500 Lattice="17.50292920921624 0.0 0.0 0.0 17.50292920921624 0.0 0.0 0.0 17.50292920921624" Properties=species:S:1:pos:R:3:forces:R:3 energy=-2053.111868742015 stress="-0.006666240713093954 0.0001831834090906818 0.00013778607829051628 0.0001831834090906818 -0.0067085596179689445 -0.00014270001912055442 0.00013778607829051628 -0.00014270001912055442 -0.006539322882617441" pbc="F F F" Ni 0.02645701 0.00349208 0.00205009 0.31762294 0.37944573 0.34351731 Ni 1.78482950 1.72223972 0.00229457 -0.19458317 0.40209656 -0.28678473 Ni 1.74126091 0.02005019 1.75195585 0.12719233 -0.25252979 0.34990778 Ni 0.01270467 1.77624405 1.72598256 -0.29100012 -0.06105057 0.48412468 Ni 3.48309912 0.03405257 0.01847500 0.12863558 -0.07906307 0.05352798 Ni 5.26345072 1.75372151 0.00476497 -0.12513248 0.01535548 -0.28083082 Ni 5.25092643 0.01127906 1.72754976 -0.07687071 -0.17469647 0.31667620 Ni 3.47023059 1.77118831 1.78784467 0.30902301 -0.19133903 -0.25762519 Ni 7.05825081 0.01162911 0.01639663 -0.25524407 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