864 Lattice="21.661067145485674 0.0 0.0 0.0 21.661067145485674 0.0 0.0 0.0 21.661067145485674" Properties=species:S:1:pos:R:3:forces:R:3 energy=-2698.403276780923 stress="-20.253510166268242 -1.2572284431286391 0.9991558753228844 -1.2572284431286391 -19.822444221041223 3.772150507678589 0.9991558753228844 3.772150507678589 -20.130965363846684" pbc="F F F" Ni -0.00553287 0.01361047 -0.02940989 -0.22450408 -0.34917897 -0.28425688 Ni 1.79119044 1.83760613 -0.00144921 0.86407078 0.16366786 -0.75568553 Ni 1.80642151 0.02251168 1.83190050 0.82676602 -0.91340289 0.21916036 Ni 0.02375133 1.77652958 1.80826161 -1.07855630 0.61559151 0.59695459 Ni 3.63780617 -0.03403949 -0.01387630 -0.28422030 -0.24306617 -0.30892750 Ni 5.42747161 1.78188080 -0.02654473 -0.17523147 0.68992626 -0.78182345 Ni 5.44960658 -0.02031727 1.77960435 -0.36173775 -0.67244298 1.00735693 Ni 3.64022166 1.81779934 1.82824189 -0.20443614 0.12697065 0.32544877 Ni 7.20040536 0.02844757 0.02355723 0.51866338 -0.76522127 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