864 Lattice="20.84690355475783 0.0 0.0 0.0 20.84690355475783 0.0 0.0 0.0 20.84690355475783" Properties=species:S:1:pos:R:3:forces:R:3 energy=-3376.3096075611934 stress="-7299.285268324362 -24859.693501941423 -49471.42390423095 -24859.693501941423 -15192.245240056176 17789.997360023048 -49471.42390423095 17789.997360023048 -22157.86004202676" pbc="F F F" Ni -0.01285649 0.05070699 -0.01834575 1943.78595923 1898.60818218 24.34533078 Ni 1.74561402 1.75967081 0.01981740 -0.09697329 -0.16786329 0.03215366 Ni 1.69648908 0.04466753 1.70664963 0.56996064 0.01297874 0.28429600 Ni -0.02948070 1.74050472 1.76567015 0.21646366 0.39555116 0.14500681 Ni 3.51642653 -0.02583486 0.00953578 -0.25874060 0.55442444 0.40835835 Ni 5.20809070 1.76365562 -0.01794636 0.23190999 -0.20307205 0.14202315 Ni 5.20487235 0.00771555 1.71881165 0.32346372 0.13838863 0.23422179 Ni 3.50512515 1.72152693 1.73857481 -0.29856449 0.02410917 0.22328560 Ni 6.96505876 0.04951766 0.00253307 -0.06359868 0.16735513 0.18780845 Ni 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