256 Lattice="13.957962799072272 0.0 0.0 0.0 13.957962799072272 0.0 0.0 0.0 13.957962799072272" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1018.2783824922516 stress="-10.713130689243432 -1.9193741681157288 -0.05927274360539769 -1.9193741681157288 -10.963211219769772 0.7998332004491324 -0.05927274360539769 0.7998332004491324 -10.815159169543392" pbc="F F F" Ni -0.02265609 -0.02513391 -0.01811429 0.86222141 0.79091829 0.80962909 Ni 1.74637393 1.76478745 0.01472505 -0.26962809 -0.36318956 -0.19548756 Ni 1.74976049 -0.02542529 1.76022851 -0.14060523 -0.03780588 -0.36359545 Ni 0.00086532 1.70129408 1.75299772 -0.14516452 0.17531269 -0.39811419 Ni 3.47710861 -0.01334235 -0.00340019 0.01263630 0.39386020 0.41339301 Ni 5.25177169 1.71440015 -0.00401783 -0.31113414 0.08111507 -0.10219212 Ni 5.23625770 0.01193422 1.76678405 -0.13325158 -0.40484090 -0.59722742 Ni 3.47302909 1.76008213 1.74223227 0.22831575 -0.44792377 -0.15332094 Ni 6.95927562 -0.01565931 0.00264973 0.21700950 0.38159096 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