864 Lattice="20.99126186204107 0.0 0.0 0.0 20.99126186204107 0.0 0.0 0.0 20.99126186204107" Properties=species:S:1:pos:R:3:forces:R:3 energy=-3520.1049163977395 stress="-0.005562674590690505 2.0346065899421145e-05 0.00010016902403601922 2.0346065899421145e-05 -0.005652310097967763 -9.413956676971212e-05 0.00010016902403601922 -9.413956676971212e-05 -0.0056973071984629505" pbc="F F F" Ni 0.01033603 0.00918141 0.02782684 0.74927549 0.69738032 0.69909608 Ni 1.71565648 1.77058273 0.01732325 0.17227849 -0.22801414 -0.31784126 Ni 1.73285402 0.00417210 1.75589646 0.00637475 -0.35973125 -0.26709239 Ni 0.00774261 1.73284768 1.71714863 -0.23975296 0.27655110 0.16571432 Ni 3.50203591 0.01723133 0.03179528 -0.21387834 0.34755501 0.37816298 Ni 5.22069457 1.72297364 0.01989611 0.11918619 0.20564617 -0.42065080 Ni 5.28515582 0.02781551 1.73281935 -0.30809001 -0.43324202 0.28065802 Ni 3.46920839 1.74033129 1.77304351 0.32397632 0.17062155 -0.19712504 Ni 6.96998029 0.00506548 0.03377285 0.21100082 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