# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = FeNi # NOTE: These values are for static, unrelaxed structures and use the ideal # b/a and c/a ratios for the crystal structure, not the potential-specific # values. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2024-04-11 r B1--NaCl--rock-s B1--NaCl--rock-s B2--CsCl B2--CsCl B3--ZnS--cubic-z B3--ZnS--cubic-z L1_0--AuCu L1_0--AuCu 0.50 nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan 0.70 nan nan nan nan nan nan nan nan 0.72 nan nan nan nan nan nan nan nan 0.74 nan nan nan nan nan nan nan nan 0.76 nan nan nan nan nan nan nan nan 0.78 nan nan nan nan nan nan nan nan 0.80 nan nan nan nan nan nan nan nan 0.82 nan nan nan nan nan nan nan nan 0.84 nan nan nan nan nan nan nan nan 0.86 nan nan nan nan nan nan nan nan 0.88 nan nan nan nan nan nan nan nan 0.90 nan nan nan nan nan nan nan nan 0.92 nan nan nan nan nan nan nan nan 0.94 nan nan nan nan nan nan nan nan 0.96 nan nan nan nan nan nan nan nan 0.98 nan nan nan nan nan nan nan nan 1.00 nan nan nan nan 2.031644551e+02 2.031644551e+02 nan nan 1.02 nan nan nan nan 1.840087430e+02 1.840087430e+02 nan nan 1.04 nan nan nan nan 1.667446266e+02 1.667446266e+02 nan nan 1.06 nan nan nan nan 1.511645725e+02 1.511645725e+02 nan nan 1.08 nan nan nan nan 1.370886217e+02 1.370886217e+02 nan nan 1.10 nan nan nan nan 1.243600359e+02 1.243600359e+02 nan nan 1.12 1.979292475e+02 1.979292475e+02 nan nan 1.128396123e+02 1.128396123e+02 nan nan 1.14 1.795992644e+02 1.795992644e+02 nan nan 1.024028305e+02 1.024028305e+02 nan nan 1.16 1.629472775e+02 1.629472775e+02 nan nan 9.293824824e+01 9.293824824e+01 nan nan 1.18 1.478186315e+02 1.478186315e+02 nan nan 8.434596411e+01 8.434596411e+01 nan nan 1.20 1.340720462e+02 1.340720462e+02 nan nan 7.653706730e+01 7.653706730e+01 nan nan 1.22 1.215779180e+02 1.215779180e+02 nan nan 6.943377238e+01 6.943377238e+01 nan nan 1.24 1.102194054e+02 1.102194054e+02 nan nan 6.296876235e+01 6.296876235e+01 nan nan 1.26 9.989291773e+01 9.989291773e+01 nan nan 5.708337203e+01 5.708337203e+01 nan nan 1.28 9.050635658e+01 9.050635658e+01 1.407199987e+02 1.407199987e+02 5.172519446e+01 5.172519446e+01 1.563770207e+02 1.563770207e+02 1.30 8.197615560e+01 8.197615560e+01 1.281067463e+02 1.281067463e+02 4.684567897e+01 4.684567897e+01 1.425800710e+02 1.425800710e+02 1.32 7.422450489e+01 7.422450489e+01 1.165679839e+02 1.165679839e+02 4.239934537e+01 4.239934537e+01 1.299486509e+02 1.299486509e+02 1.34 6.717786486e+01 6.717786486e+01 1.060002316e+02 1.060002316e+02 3.834380385e+01 3.834380385e+01 1.183833062e+02 1.183833062e+02 1.36 6.076728899e+01 6.076728899e+01 9.631469213e+01 9.631469213e+01 3.464093011e+01 3.464093011e+01 1.077936176e+02 1.077936176e+02 1.38 5.492998017e+01 5.492998017e+01 8.743626632e+01 8.743626632e+01 3.125736828e+01 3.125736828e+01 9.809695982e+01 9.809695982e+01 1.40 4.961059630e+01 4.961059630e+01 7.930011861e+01 7.930011861e+01 2.816406973e+01 2.816406973e+01 8.921771651e+01 8.921771651e+01 1.42 4.476102194e+01 4.476102194e+01 7.184837691e+01 7.184837691e+01 2.533555783e+01 2.533555783e+01 8.108646730e+01 8.108646730e+01 1.44 4.033882828e+01 4.033882828e+01 6.502811728e+01 6.502811728e+01 2.274932879e+01 2.274932879e+01 7.363919353e+01 7.363919353e+01 1.46 3.630555386e+01 3.630555386e+01 5.879027774e+01 5.879027774e+01 2.038532685e+01 2.038532685e+01 6.681685181e+01 6.681685181e+01 1.48 3.262542979e+01 3.262542979e+01 5.308897208e+01 5.308897208e+01 1.822543874e+01 1.822543874e+01 6.056543969e+01 6.056543969e+01 1.50 2.926547307e+01 2.926547307e+01 4.788107425e+01 4.788107425e+01 1.625307365e+01 1.625307365e+01 5.483616370e+01 5.483616370e+01 1.52 2.619559386e+01 2.619559386e+01 4.312616695e+01 4.312616695e+01 1.445291542e+01 1.445291542e+01 4.958523549e+01 4.958523549e+01 1.54 2.338914855e+01 2.338914855e+01 3.878671242e+01 3.878671242e+01 1.281079694e+01 1.281079694e+01 4.477331895e+01 4.477331895e+01 1.56 2.082305990e+01 2.082305990e+01 3.482802386e+01 3.482802386e+01 1.131352416e+01 1.131352416e+01 4.036494739e+01 4.036494739e+01 1.58 1.847724946e+01 1.847724946e+01 3.121790718e+01 3.121790718e+01 9.948640547e+00 9.948640547e+00 3.632802734e+01 3.632802734e+01 1.60 1.633380627e+01 1.633380627e+01 2.792622766e+01 2.792622766e+01 8.704358976e+00 8.704358976e+00 3.263331387e+01 3.263331387e+01 1.62 1.437639958e+01 1.437639958e+01 2.492492576e+01 2.492492576e+01 7.569779509e+00 7.569779509e+00 2.925378161e+01 2.925378161e+01 1.64 1.259002473e+01 1.259002473e+01 2.218849519e+01 2.218849519e+01 6.535177341e+00 6.535177341e+00 2.616387141e+01 2.616387141e+01 1.66 1.096090052e+01 1.096090052e+01 1.969378212e+01 1.969378212e+01 5.592057823e+00 5.592057823e+00 2.333960268e+01 2.333960268e+01 1.68 9.476380974e+00 9.476380974e+00 1.741969374e+01 1.741969374e+01 4.732933716e+00 4.732933716e+00 2.075858288e+01 2.075858288e+01 1.70 8.124861868e+00 8.124861868e+00 1.534682031e+01 1.534682031e+01 3.951013968e+00 3.951013968e+00 1.840016853e+01 1.840016853e+01 1.72 6.895691046e+00 6.895691046e+00 1.345712957e+01 1.345712957e+01 3.239978311e+00 3.239978311e+00 1.624565514e+01 1.624565514e+01 1.74 5.779071808e+00 5.779071808e+00 1.173383881e+01 1.173383881e+01 2.593879500e+00 2.593879500e+00 1.427825470e+01 1.427825470e+01 1.76 4.765943398e+00 4.765943398e+00 1.016148459e+01 1.016148459e+01 2.007132434e+00 2.007132434e+00 1.248287808e+01 1.248287808e+01 1.78 3.847836374e+00 3.847836374e+00 8.726109998e+00 8.726109998e+00 1.474545888e+00 1.474545888e+00 1.084580484e+01 1.084580484e+01 1.80 3.016725570e+00 3.016725570e+00 7.415424841e+00 7.415424841e+00 9.913771133e-01 9.913771133e-01 9.354330203e+00 9.354330203e+00 1.82 2.264931750e+00 2.264931750e+00 6.218818700e+00 6.218818700e+00 5.533894049e-01 5.533894049e-01 7.996488649e+00 7.996488649e+00 1.84 1.585130103e+00 1.585130103e+00 5.127188327e+00 5.127188327e+00 1.568706572e-01 1.568706572e-01 6.760922775e+00 6.760922775e+00 1.86 9.704769056e-01 9.704769056e-01 4.132620138e+00 4.132620138e+00 -2.014235611e-01 -2.014235611e-01 5.636885965e+00 5.636885965e+00 1.88 4.147814948e-01 4.147814948e-01 3.228022307e+00 3.228022307e+00 -5.243938870e-01 -5.243938870e-01 4.614308555e+00 4.614308555e+00 1.90 -8.738949947e-02 -8.738949947e-02 2.406805484e+00 2.406805484e+00 -8.147426710e-01 -8.147426710e-01 3.683862457e+00 3.683862457e+00 1.92 -5.407359968e-01 -5.407359968e-01 1.662666935e+00 1.662666935e+00 -1.075096671e+00 -1.075096671e+00 2.837002722e+00 2.837002722e+00 1.94 -9.493505227e-01 -9.493505227e-01 9.894828946e-01 9.894828946e-01 -1.308082468e+00 -1.308082468e+00 2.065998199e+00 2.065998199e+00 1.96 -1.316881817e+00 -1.316881817e+00 3.812889798e-01 3.812889798e-01 -1.516345395e+00 -1.516345395e+00 1.363963291e+00 1.363963291e+00 1.98 -1.646680728e+00 -1.646680728e+00 -1.676777771e-01 -1.676777771e-01 -1.702513680e+00 -1.702513680e+00 7.248757957e-01 7.248757957e-01 2.00 -1.941890563e+00 -1.941890563e+00 -6.629026851e-01 -6.629026851e-01 -1.869142147e+00 -1.869142147e+00 1.435436116e-01 1.435436116e-01 2.02 -2.205461500e+00 -2.205461500e+00 -1.109507213e+00 -1.109507213e+00 -2.018628881e+00 -2.018628881e+00 -3.845032831e-01 -3.845032831e-01 2.04 -2.440101618e+00 -2.440101618e+00 -1.512170480e+00 -1.512170480e+00 -2.153144077e+00 -2.153144077e+00 -8.631769716e-01 -8.631769716e-01 2.06 -2.648215084e+00 -2.648215084e+00 -1.875071513e+00 -1.875071513e+00 -2.274527440e+00 -2.274527440e+00 -1.296001746e+00 -1.296001746e+00 2.08 -2.831883969e+00 -2.831883969e+00 -2.201864016e+00 -2.201864016e+00 -2.384165437e+00 -2.384165437e+00 -1.686244372e+00 -1.686244372e+00 2.10 -2.992912748e+00 -2.992912748e+00 -2.495691262e+00 -2.495691262e+00 -2.482755120e+00 -2.482755120e+00 -2.036988524e+00 -2.036988524e+00 2.12 -3.132910509e+00 -3.132910509e+00 -2.759239538e+00 -2.759239538e+00 -2.570740948e+00 -2.570740948e+00 -2.351167327e+00 -2.351167327e+00 2.14 -3.253372743e+00 -3.253372743e+00 -2.994818881e+00 -2.994818881e+00 -2.648458825e+00 -2.648458825e+00 -2.631579034e+00 -2.631579034e+00 2.16 -3.355740870e+00 -3.355740870e+00 -3.204455355e+00 -3.204455355e+00 -2.716025187e+00 -2.716025187e+00 -2.880901929e+00 -2.880901929e+00 2.18 -3.441439760e+00 -3.441439760e+00 -3.389980330e+00 -3.389980330e+00 -2.773258513e+00 -2.773258513e+00 -3.101709103e+00 -3.101709103e+00 2.20 -3.511892534e+00 -3.511892534e+00 -3.553106224e+00 -3.553106224e+00 -2.820124211e+00 -2.820124211e+00 -3.296475985e+00 -3.296475985e+00 2.22 -3.568541688e+00 -3.568541688e+00 -3.695482156e+00 -3.695482156e+00 -2.856763718e+00 -2.856763718e+00 -3.467575091e+00 -3.467575091e+00 2.24 -3.612853831e+00 -3.612853831e+00 -3.818726947e+00 -3.818726947e+00 -2.883464061e+00 -2.883464061e+00 -3.617257112e+00 -3.617257112e+00 2.26 -3.646309217e+00 -3.646309217e+00 -3.924441600e+00 -3.924441600e+00 -2.900637765e+00 -2.900637765e+00 -3.747621566e+00 -3.747621566e+00 2.28 -3.670387122e+00 -3.670387122e+00 -4.014207962e+00 -4.014207962e+00 -2.908811653e+00 -2.908811653e+00 -3.860584501e+00 -3.860584501e+00 2.30 -3.686491650e+00 -3.686491650e+00 -4.089580864e+00 -4.089580864e+00 -2.908621155e+00 -2.908621155e+00 -3.957854279e+00 -3.957854279e+00 2.32 -3.695632988e+00 -3.695632988e+00 -4.152075528e+00 -4.152075528e+00 -2.900802744e+00 -2.900802744e+00 -4.040925307e+00 -4.040925307e+00 2.34 -3.698569158e+00 -3.698569158e+00 -4.203145415e+00 -4.203145415e+00 -2.886174367e+00 -2.886174367e+00 -4.111092630e+00 -4.111092630e+00 2.36 -3.696041271e+00 -3.696041271e+00 -4.244142150e+00 -4.244142150e+00 -2.865596513e+00 -2.865596513e+00 -4.169482214e+00 -4.169482214e+00 2.38 -3.688724076e+00 -3.688724076e+00 -4.276265503e+00 -4.276265503e+00 -2.839916437e+00 -2.839916437e+00 -4.217089243e+00 -4.217089243e+00 2.40 -3.677016855e+00 -3.677016855e+00 -4.300529210e+00 -4.300529210e+00 -2.809909569e+00 -2.809909569e+00 -4.254808857e+00 -4.254808857e+00 2.42 -3.660792716e+00 -3.660792716e+00 -4.317744017e+00 -4.317744017e+00 -2.776236483e+00 -2.776236483e+00 -4.283472075e+00 -4.283472075e+00 2.44 -3.639957285e+00 -3.639957285e+00 -4.328534012e+00 -4.328534012e+00 -2.739426867e+00 -2.739426867e+00 -4.303873767e+00 -4.303873767e+00 2.46 -3.614518536e+00 -3.614518536e+00 -4.333382880e+00 -4.333382880e+00 -2.699889207e+00 -2.699889207e+00 -4.316790515e+00 -4.316790515e+00 2.48 -3.584553688e+00 -3.584553688e+00 -4.332648748e+00 -4.332648748e+00 -2.657935629e+00 -2.657935629e+00 -4.322992720e+00 -4.322992720e+00 2.50 -3.550193956e+00 -3.550193956e+00 -4.326337866e+00 -4.326337866e+00 -2.613809876e+00 -2.613809876e+00 -4.323250872e+00 -4.323250872e+00 2.52 -3.511622836e+00 -3.511622836e+00 -4.314353515e+00 -4.314353515e+00 -2.567710519e+00 -2.567710519e+00 -4.318265371e+00 -4.318265371e+00 2.54 -3.469081344e+00 -3.469081344e+00 -4.296701887e+00 -4.296701887e+00 -2.519806860e+00 -2.519806860e+00 -4.308390077e+00 -4.308390077e+00 2.56 -3.422872749e+00 -3.422872749e+00 -4.273479842e+00 -4.273479842e+00 -2.470248605e+00 -2.470248605e+00 -4.293924631e+00 -4.293924631e+00 2.58 -3.373359987e+00 -3.373359987e+00 -4.244856719e+00 -4.244856719e+00 -2.419172026e+00 -2.419172026e+00 -4.275193640e+00 -4.275193640e+00 2.60 -3.320951659e+00 -3.320951659e+00 -4.211050314e+00 -4.211050314e+00 -2.366705449e+00 -2.366705449e+00 -4.252515781e+00 -4.252515781e+00 2.62 -3.266076970e+00 -3.266076970e+00 -4.172128770e+00 -4.172128770e+00 -2.312976305e+00 -2.312976305e+00 -4.226186605e+00 -4.226186605e+00 2.64 -3.209154875e+00 -3.209154875e+00 -4.128015090e+00 -4.128015090e+00 -2.258121012e+00 -2.258121012e+00 -4.196468550e+00 -4.196468550e+00 2.66 -3.150565392e+00 -3.150565392e+00 -4.078719174e+00 -4.078719174e+00 -2.202297551e+00 -2.202297551e+00 -4.163436383e+00 -4.163436383e+00 2.68 -3.090630049e+00 -3.090630049e+00 -4.024341473e+00 -4.024341473e+00 -2.145698823e+00 -2.145698823e+00 -4.126963661e+00 -4.126963661e+00 2.70 -3.029604350e+00 -3.029604350e+00 -3.965068632e+00 -3.965068632e+00 -2.088562961e+00 -2.088562961e+00 -4.086965865e+00 -4.086965865e+00 2.72 -2.967680713e+00 -2.967680713e+00 -3.901170954e+00 -3.901170954e+00 -2.031175505e+00 -2.031175505e+00 -4.043397649e+00 -4.043397649e+00 2.74 -2.904997779e+00 -2.904997779e+00 -3.832996763e+00 -3.832996763e+00 -1.973858946e+00 -1.973858946e+00 -3.996237710e+00 -3.996237710e+00 2.76 -2.841651863e+00 -2.841651863e+00 -3.760960099e+00 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-3.187635563e+00 -1.547248077e+00 -1.547248077e+00 -3.492309052e+00 -3.492309052e+00 2.92 -2.315411818e+00 -2.315411818e+00 -3.100942321e+00 -3.100942321e+00 -1.498799597e+00 -1.498799597e+00 -3.414496444e+00 -3.414496444e+00 2.94 -2.247356994e+00 -2.247356994e+00 -3.014043981e+00 -3.014043981e+00 -1.451152259e+00 -1.451152259e+00 -3.333775207e+00 -3.333775207e+00 2.96 -2.178805046e+00 -2.178805046e+00 -2.927155266e+00 -2.927155266e+00 -1.404190603e+00 -1.404190603e+00 -3.250310853e+00 -3.250310853e+00 2.98 -2.109759513e+00 -2.109759513e+00 -2.840441093e+00 -2.840441093e+00 -1.357816892e+00 -1.357816892e+00 -3.164289047e+00 -3.164289047e+00 3.00 -2.040227925e+00 -2.040227925e+00 -2.754019503e+00 -2.754019503e+00 -1.311953108e+00 -1.311953108e+00 -3.075917397e+00 -3.075917397e+00 3.02 -1.970225741e+00 -1.970225741e+00 -2.667967595e+00 -2.667967595e+00 -1.266540501e+00 -1.266540501e+00 -2.985427244e+00 -2.985427244e+00 3.04 -1.899782532e+00 -1.899782532e+00 -2.582330055e+00 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