# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1989--Adams-J-B-Foiles-S-M-Wolfer-W-G--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1989--Adams-J-B--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = AgPd # 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 2022-05-24 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 8.742006390e+02 8.742006390e+02 nan nan 0.78 nan nan nan nan 7.867128911e+02 7.867128911e+02 nan nan 0.80 nan nan nan nan 7.089956721e+02 7.089956721e+02 nan nan 0.82 nan nan nan nan 6.398085373e+02 6.398085373e+02 nan nan 0.84 nan nan nan nan 5.781007907e+02 5.781007907e+02 nan nan 0.86 nan nan nan nan 5.229707638e+02 5.229707638e+02 nan nan 0.88 7.807420133e+02 7.807420133e+02 nan nan 4.736434588e+02 4.736434588e+02 nan nan 0.90 7.102662843e+02 7.102662843e+02 nan nan 4.294473942e+02 4.294473942e+02 nan nan 0.92 6.470820177e+02 6.470820177e+02 nan nan 3.898010554e+02 3.898010554e+02 nan nan 0.94 5.903360428e+02 5.903360428e+02 nan nan 3.541957368e+02 3.541957368e+02 nan nan 0.96 5.392889471e+02 5.392889471e+02 nan nan 3.221872066e+02 3.221872066e+02 nan nan 0.98 4.932926544e+02 4.932926544e+02 nan nan 2.933836990e+02 2.933836990e+02 7.329599551e+02 7.329599551e+02 1.00 4.517763960e+02 4.517763960e+02 6.272765947e+02 6.272765947e+02 2.674404644e+02 2.674404644e+02 6.723844173e+02 6.723844173e+02 1.02 4.142489172e+02 4.142489172e+02 5.761480517e+02 5.761480517e+02 2.440503717e+02 2.440503717e+02 6.177266277e+02 6.177266277e+02 1.04 3.802729102e+02 3.802729102e+02 5.299369929e+02 5.299369929e+02 2.229422415e+02 2.229422415e+02 5.683305860e+02 5.683305860e+02 1.06 3.494676290e+02 3.494676290e+02 4.881028025e+02 4.881028025e+02 2.038762328e+02 2.038762328e+02 5.236191114e+02 5.236191114e+02 1.08 3.214943276e+02 3.214943276e+02 4.501622887e+02 4.501622887e+02 1.866352165e+02 1.866352165e+02 4.830792591e+02 4.830792591e+02 1.10 2.960563826e+02 2.960563826e+02 4.156978237e+02 4.156978237e+02 1.710295722e+02 1.710295722e+02 4.462619212e+02 4.462619212e+02 1.12 2.728909483e+02 2.728909483e+02 3.843357766e+02 3.843357766e+02 1.568892922e+02 1.568892922e+02 4.127681860e+02 4.127681860e+02 1.14 2.517648055e+02 2.517648055e+02 3.557441860e+02 3.557441860e+02 1.440608826e+02 1.440608826e+02 3.822444401e+02 3.822444401e+02 1.16 2.324702522e+02 2.324702522e+02 3.296335312e+02 3.296335312e+02 1.324091576e+02 1.324091576e+02 3.543783760e+02 3.543783760e+02 1.18 2.148219565e+02 2.148219565e+02 3.057455423e+02 3.057455423e+02 1.218132217e+02 1.218132217e+02 3.288917866e+02 3.288917866e+02 1.20 1.986592384e+02 1.986592384e+02 2.838509527e+02 2.838509527e+02 1.121640067e+02 1.121640067e+02 3.055390308e+02 3.055390308e+02 1.22 1.838367537e+02 1.838367537e+02 2.637456445e+02 2.637456445e+02 1.033636384e+02 1.033636384e+02 2.841036889e+02 2.841036889e+02 1.24 1.702242561e+02 1.702242561e+02 2.452545554e+02 2.452545554e+02 9.532760055e+01 9.532760055e+01 2.643936063e+02 2.643936063e+02 1.26 1.577071331e+02 1.577071331e+02 2.282191107e+02 2.282191107e+02 8.797903587e+01 8.797903587e+01 2.462378875e+02 2.462378875e+02 1.28 1.461827102e+02 1.461827102e+02 2.124987189e+02 2.124987189e+02 8.124942575e+01 8.124942575e+01 2.294846050e+02 2.294846050e+02 1.30 1.355567119e+02 1.355567119e+02 1.979656625e+02 1.979656625e+02 7.507573147e+01 7.507573147e+01 2.140007178e+02 2.140007178e+02 1.32 1.257483681e+02 1.257483681e+02 1.845118769e+02 1.845118769e+02 6.940479779e+01 6.940479779e+01 1.996668290e+02 1.996668290e+02 1.34 1.166849119e+02 1.166849119e+02 1.720396637e+02 1.720396637e+02 6.418833805e+01 6.418833805e+01 1.863760759e+02 1.863760759e+02 1.36 1.083003216e+02 1.083003216e+02 1.604611500e+02 1.604611500e+02 5.938275942e+01 5.938275942e+01 1.740355188e+02 1.740355188e+02 1.38 1.005352938e+02 1.005352938e+02 1.496985229e+02 1.496985229e+02 5.494923545e+01 5.494923545e+01 1.625615109e+02 1.625615109e+02 1.40 9.333646391e+01 9.333646391e+01 1.396816717e+02 1.396816717e+02 5.085298668e+01 5.085298668e+01 1.518789965e+02 1.518789965e+02 1.42 8.665579118e+01 8.665579118e+01 1.303470828e+02 1.303470828e+02 4.706237053e+01 4.706237053e+01 1.419203530e+02 1.419203530e+02 1.44 8.044973715e+01 8.044973715e+01 1.216406536e+02 1.216406536e+02 4.355056474e+01 4.355056474e+01 1.326252386e+02 1.326252386e+02 1.46 7.467992505e+01 7.467992505e+01 1.135119260e+02 1.135119260e+02 4.029266799e+01 4.029266799e+01 1.239416428e+02 1.239416428e+02 1.48 6.931048750e+01 6.931048750e+01 1.059158278e+02 1.059158278e+02 3.726645643e+01 3.726645643e+01 1.158212932e+02 1.158212932e+02 1.50 6.430927655e+01 6.430927655e+01 9.881213513e+01 9.881213513e+01 3.445227660e+01 3.445227660e+01 1.082212174e+02 1.082212174e+02 1.52 5.964886527e+01 5.964886527e+01 9.216417581e+01 9.216417581e+01 3.183233043e+01 3.183233043e+01 1.011026729e+02 1.011026729e+02 1.54 5.530319108e+01 5.530319108e+01 8.593823030e+01 8.593823030e+01 2.939030484e+01 2.939030484e+01 9.443023521e+01 9.443023521e+01 1.56 5.124846485e+01 5.124846485e+01 8.010341065e+01 8.010341065e+01 2.711163062e+01 2.711163062e+01 8.817220508e+01 8.817220508e+01 1.58 4.746321436e+01 4.746321436e+01 7.463229904e+01 7.463229904e+01 2.495051641e+01 2.495051641e+01 8.229941007e+01 8.229941007e+01 1.60 4.392764296e+01 4.392764296e+01 6.950158033e+01 6.950158033e+01 2.295321308e+01 2.295321308e+01 7.678538922e+01 7.678538922e+01 1.62 4.062261987e+01 4.062261987e+01 6.468796999e+01 6.468796999e+01 2.109145010e+01 2.109145010e+01 7.160642295e+01 7.160642295e+01 1.64 3.753319923e+01 3.753319923e+01 6.017063351e+01 6.017063351e+01 1.934981426e+01 1.934981426e+01 6.674063675e+01 6.674063675e+01 1.66 3.464428359e+01 3.464428359e+01 5.593048649e+01 5.593048649e+01 1.772021476e+01 1.772021476e+01 6.216784467e+01 6.216784467e+01 1.68 3.194195428e+01 3.194195428e+01 5.194978381e+01 5.194978381e+01 1.619524862e+01 1.619524862e+01 5.786958166e+01 5.786958166e+01 1.70 2.941331241e+01 2.941331241e+01 4.821209117e+01 4.821209117e+01 1.476817705e+01 1.476817705e+01 5.382866988e+01 5.382866988e+01 1.72 2.702208694e+01 2.702208694e+01 4.470207439e+01 4.470207439e+01 1.343275515e+01 1.343275515e+01 5.002871504e+01 5.002871504e+01 1.74 2.479755430e+01 2.479755430e+01 4.140580968e+01 4.140580968e+01 1.218356978e+01 1.218356978e+01 4.645514295e+01 4.645514295e+01 1.76 2.271381764e+01 2.271381764e+01 3.831020152e+01 3.831020152e+01 1.101550874e+01 1.101550874e+01 4.309486491e+01 4.309486491e+01 1.78 2.076792293e+01 2.076792293e+01 3.540199591e+01 3.540199591e+01 9.923365682e+00 9.923365682e+00 3.993488436e+01 3.993488436e+01 1.80 1.894626329e+01 1.894626329e+01 3.267053849e+01 3.267053849e+01 8.903128367e+00 8.903128367e+00 3.696343390e+01 3.696343390e+01 1.82 1.724179049e+01 1.724179049e+01 3.010576830e+01 3.010576830e+01 7.951007970e+00 7.951007970e+00 3.416952504e+01 3.416952504e+01 1.84 1.564748686e+01 1.564748686e+01 2.766498368e+01 2.766498368e+01 7.063211625e+00 7.063211625e+00 3.154284184e+01 3.154284184e+01 1.86 1.415680224e+01 1.415680224e+01 2.540204596e+01 2.540204596e+01 6.236144670e+00 6.236144670e+00 2.907373189e+01 2.907373189e+01 1.88 1.276364619e+01 1.276364619e+01 2.326975110e+01 2.326975110e+01 5.466304502e+00 5.466304502e+00 2.671972459e+01 2.671972459e+01 1.90 1.146236614e+01 1.146236614e+01 2.127484509e+01 2.127484509e+01 4.750366324e+00 4.750366324e+00 2.452951593e+01 2.452951593e+01 1.92 1.024779941e+01 1.024779941e+01 1.940381226e+01 1.940381226e+01 4.085656774e+00 4.085656774e+00 2.247762748e+01 2.247762748e+01 1.94 9.115017889e+00 9.115017889e+00 1.764977011e+01 1.764977011e+01 3.469319666e+00 3.469319666e+00 2.055104770e+01 2.055104770e+01 1.96 8.059399367e+00 8.059399367e+00 1.600625672e+01 1.600625672e+01 2.898795831e+00 2.898795831e+00 1.874232362e+01 1.874232362e+01 1.98 7.076482961e+00 7.076482961e+00 1.446695642e+01 1.446695642e+01 2.371168524e+00 2.371168524e+00 1.704570650e+01 1.704570650e+01 2.00 6.162291479e+00 6.162291479e+00 1.302639050e+01 1.302639050e+01 1.884086967e+00 1.884086967e+00 1.545514984e+01 1.545514984e+01 2.02 5.312968265e+00 5.312968265e+00 1.167918120e+01 1.167918120e+01 1.435207814e+00 1.435207814e+00 1.396502985e+01 1.396502985e+01 2.04 4.524855007e+00 4.524855007e+00 1.042022779e+01 1.042022779e+01 1.022267483e+00 1.022267483e+00 1.256942259e+01 1.256942259e+01 2.06 3.794488146e+00 3.794488146e+00 9.244597384e+00 9.244597384e+00 6.431032900e-01 6.431032900e-01 1.126357579e+01 1.126357579e+01 2.08 3.118584297e+00 3.118584297e+00 8.147648603e+00 8.147648603e+00 2.956568756e-01 2.956568756e-01 1.004275340e+01 1.004275340e+01 2.10 2.494027508e+00 2.494027508e+00 7.125263810e+00 7.125263810e+00 -2.127792920e-02 -2.127792920e-02 8.902479467e+00 8.902479467e+00 2.12 1.917857989e+00 1.917857989e+00 6.172680906e+00 6.172680906e+00 -3.106813412e-01 -3.106813412e-01 7.838429093e+00 7.838429093e+00 2.14 1.387278379e+00 1.387278379e+00 5.286513437e+00 5.286513437e+00 -5.741232385e-01 -5.741232385e-01 6.846399085e+00 6.846399085e+00 2.16 8.998053400e-01 8.998053400e-01 4.463250550e+00 4.463250550e+00 -8.131691146e-01 -8.131691146e-01 5.922431812e+00 5.922431812e+00 2.18 4.521713887e-01 4.521713887e-01 3.699428509e+00 3.699428509e+00 -1.029439578e+00 -1.029439578e+00 5.062900551e+00 5.062900551e+00 2.20 4.233225299e-02 4.233225299e-02 2.991833684e+00 2.991833684e+00 -1.224389397e+00 -1.224389397e+00 4.264262086e+00 4.264262086e+00 2.22 -3.319120209e-01 -3.319120209e-01 2.337230443e+00 2.337230443e+00 -1.399661745e+00 -1.399661745e+00 3.523151090e+00 3.523151090e+00 2.24 -6.727521054e-01 -6.727521054e-01 1.732660823e+00 1.732660823e+00 -1.556579596e+00 -1.556579596e+00 2.836358217e+00 2.836358217e+00 2.26 -9.822747105e-01 -9.822747105e-01 1.175292248e+00 1.175292248e+00 -1.696413898e+00 -1.696413898e+00 2.200792028e+00 2.200792028e+00 2.28 -1.262603861e+00 -1.262603861e+00 6.624051731e-01 6.624051731e-01 -1.820394971e+00 -1.820394971e+00 1.613628246e+00 1.613628246e+00 2.30 -1.514797670e+00 -1.514797670e+00 1.913811386e-01 1.913811386e-01 -1.929752469e+00 -1.929752469e+00 1.071980452e+00 1.071980452e+00 2.32 -1.741319885e+00 -1.741319885e+00 -2.401400945e-01 -2.401400945e-01 -2.025727916e+00 -2.025727916e+00 5.730590356e-01 5.730590356e-01 2.34 -1.943893747e+00 -1.943893747e+00 -6.345653913e-01 -6.345653913e-01 -2.108692886e+00 -2.108692886e+00 1.146800361e-01 1.146800361e-01 2.36 -2.124150932e+00 -2.124150932e+00 -9.941522454e-01 -9.941522454e-01 -2.179867059e+00 -2.179867059e+00 -3.054569234e-01 -3.054569234e-01 2.38 -2.284053201e+00 -2.284053201e+00 -1.321017648e+00 -1.321017648e+00 -2.240345354e+00 -2.240345354e+00 -6.895630003e-01 -6.895630003e-01 2.40 -2.425027479e+00 -2.425027479e+00 -1.617176052e+00 -1.617176052e+00 -2.290973829e+00 -2.290973829e+00 -1.039960277e+00 -1.039960277e+00 2.42 -2.547939695e+00 -2.547939695e+00 -1.884588489e+00 -1.884588489e+00 -2.332594787e+00 -2.332594787e+00 -1.358728581e+00 -1.358728581e+00 2.44 -2.654196700e+00 -2.654196700e+00 -2.124705192e+00 -2.124705192e+00 -2.365900452e+00 -2.365900452e+00 -1.647766354e+00 -1.647766354e+00 2.46 -2.745050825e+00 -2.745050825e+00 -2.339205216e+00 -2.339205216e+00 -2.391572762e+00 -2.391572762e+00 -1.909068109e+00 -1.909068109e+00 2.48 -2.821674725e+00 -2.821674725e+00 -2.530128119e+00 -2.530128119e+00 -2.410256226e+00 -2.410256226e+00 -2.143615604e+00 -2.143615604e+00 2.50 -2.885407160e+00 -2.885407160e+00 -2.699047465e+00 -2.699047465e+00 -2.422551310e+00 -2.422551310e+00 -2.353690331e+00 -2.353690331e+00 2.52 -2.937072566e+00 -2.937072566e+00 -2.847458022e+00 -2.847458022e+00 -2.429017008e+00 -2.429017008e+00 -2.540895359e+00 -2.540895359e+00 2.54 -2.977430922e+00 -2.977430922e+00 -2.976778919e+00 -2.976778919e+00 -2.430173205e+00 -2.430173205e+00 -2.706752220e+00 -2.706752220e+00 2.56 -3.007226288e+00 -3.007226288e+00 -3.088356570e+00 -3.088356570e+00 -2.426503052e+00 -2.426503052e+00 -2.852744653e+00 -2.852744653e+00 2.58 -3.027743054e+00 -3.027743054e+00 -3.183467333e+00 -3.183467333e+00 -2.418454767e+00 -2.418454767e+00 -2.980357944e+00 -2.980357944e+00 2.60 -3.039789451e+00 -3.039789451e+00 -3.263291467e+00 -3.263291467e+00 -2.406446127e+00 -2.406446127e+00 -3.090736800e+00 -3.090736800e+00 2.62 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