500 Lattice="17.4658489682487 0.0 0.0 0.0 17.4658489682487 0.0 0.0 0.0 17.4658489682487" Properties=species:S:1:pos:R:3:forces:R:3 energy=-2040.996497199165 stress="-19.475820004887332 -2.7769966680553546 1.1475381952715402 -2.7769966680553546 -18.996580452434365 1.6751762655916247 1.1475381952715402 1.6751762655916247 -17.337178955852785" pbc="F F F" Ni -0.02841270 -0.00444519 0.01421177 0.70562972 0.71590402 0.64409687 Ni 1.75645327 1.72271188 -0.01141818 -0.18676448 0.02222390 -0.18017316 Ni 1.71557959 0.01788342 1.72880093 0.19919038 -0.28186970 -0.09255478 Ni 0.02657801 1.76268865 1.73078949 -0.28654467 -0.33233427 -0.17800603 Ni 3.48850900 -0.02598826 -0.03440775 0.03577481 0.54613724 0.51680332 Ni 5.26822282 1.77352198 -0.00017826 -0.21906296 -0.32815516 -0.05903296 Ni 5.25537357 -0.01829171 1.68972616 -0.21510148 0.05732957 0.20259020 Ni 3.48770967 1.73864458 1.74133486 0.23569318 -0.10860492 -0.04482938 Ni 7.00389197 -0.00942536 0.01045930 -0.08873984 0.35617500 0.10787214 Ni 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