864 Lattice="21.51751008858672 0.0 0.0 0.0 21.51751008858672 0.0 0.0 0.0 21.51751008858672" Properties=species:S:1:pos:R:3:forces:R:3 energy=-2859.544260641743 stress="-22.263954398632144 -0.18054868063949314 1.1786861557985908 -0.18054868063949314 -22.38173332780707 -2.1050726273917917 1.1786861557985908 -2.1050726273917917 -19.424188981658446" pbc="F F F" Ni 0.00545009 -0.02602825 0.02950201 -0.32649019 -0.34972837 -0.46310654 Ni 1.81732228 1.80083099 -0.02831514 0.27992428 0.29254992 -0.89630776 Ni 1.78190913 0.01281001 1.82512607 0.83645656 -1.07531162 0.25438512 Ni 0.00089881 1.76489435 1.80927461 -0.91552845 0.94653273 0.28083572 Ni 3.60531273 -0.02849969 0.00473414 -0.19134456 -0.49313716 -0.63868608 Ni 5.40384647 1.80084484 -0.03385985 -0.30339943 0.74675413 -0.45738777 Ni 5.37127281 -0.00366174 1.75944265 0.21348709 -0.40925920 1.20523667 Ni 3.55073364 1.79402928 1.79155041 0.83404041 0.51251739 0.72525093 Ni 7.16461499 0.02879071 -0.02483556 0.27220799 -0.64278013 -0.49531394 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