864 Lattice="21.020856229300684 0.0 0.0 0.0 21.020856229300684 0.0 0.0 0.0 21.020856229300684" Properties=species:S:1:pos:R:3:forces:R:3 energy=-3545.395504817711 stress="-0.0058709335096539155 0.00013977909376158937 -0.0001712634108201433 0.00013977909376158937 -0.005885862058547005 -0.00011858103999644047 -0.0001712634108201433 -0.00011858103999644047 -0.0060649289234989585" pbc="F F F" Ni 0.01339674 0.00159831 0.02219130 0.54646136 0.37257596 0.49630862 Ni 1.73362496 1.72157346 0.02941176 0.16156019 0.17356251 -0.47061745 Ni 1.78614443 0.02379795 1.78537930 -0.27870697 -0.53936043 -0.11071341 Ni 0.03357789 1.71996405 1.72076850 -0.41496355 0.24478812 0.41425535 Ni 3.49408482 0.01713229 0.01596538 0.09423342 0.23625844 0.17671076 Ni 5.28608799 1.76621421 0.01438635 -0.21073179 -0.14085237 -0.13852281 Ni 5.22545179 0.00489606 1.77438304 0.27645175 -0.27029940 -0.29316462 Ni 3.50743728 1.73615128 1.76202329 0.02575113 0.39831501 -0.11710788 Ni 7.01464897 0.04306686 0.02398918 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