864 Lattice="20.96432762145997 0.0 0.0 0.0 20.96432762145997 0.0 0.0 0.0 20.96432762145997" Properties=species:S:1:pos:R:3:forces:R:3 energy=-3516.1985838592223 stress="-0.00991325873450034 -0.0006497404020978487 -0.000312117419342048 -0.0006497404020978487 -0.00970936997773027 0.0002851287641267987 -0.000312117419342048 0.0002851287641267987 -0.009685025161438364" pbc="F F F" Ni 0.00006984 0.00797600 0.00791571 0.27340698 0.30920120 0.45785260 Ni 1.71371694 1.72494664 0.01155909 0.73996363 0.34463302 -0.36355527 Ni 1.76610024 0.02428393 1.73900647 0.06300981 -0.18742233 0.36577529 Ni 0.03331918 1.77694840 1.72561785 -0.24450942 -0.38664584 0.67367571 Ni 3.47997553 0.05026073 0.01411187 0.04953105 -0.17114896 -0.14272207 Ni 5.21470938 1.77980344 0.02545359 0.63007389 -0.20341826 -0.43706976 Ni 5.26681362 0.03398574 1.73508019 -0.38403613 -0.26573149 0.38681357 Ni 3.51425517 1.77169626 1.71571638 -0.67327097 -0.34396539 0.69951049 Ni 6.99861091 0.00624435 0.05685378 -0.03351031 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