# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1986--Foiles-S-M-Baskes-M-I-Daw-M-S--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1986--Foiles-S-M--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 8.855008584e+02 8.855008584e+02 nan nan 0.78 nan nan nan nan 7.973427723e+02 7.973427723e+02 nan nan 0.80 nan nan nan nan 7.189751267e+02 7.189751267e+02 nan nan 0.82 nan nan nan nan 6.491597977e+02 6.491597977e+02 nan nan 0.84 nan nan nan nan 5.868476737e+02 5.868476737e+02 nan nan 0.86 nan nan nan nan 5.311387028e+02 5.311387028e+02 nan nan 0.88 7.947075682e+02 7.947075682e+02 nan nan 4.812577291e+02 4.812577291e+02 nan nan 0.90 7.232614193e+02 7.232614193e+02 nan nan 4.365336473e+02 4.365336473e+02 nan nan 0.92 6.591299984e+02 6.591299984e+02 nan nan 3.963858085e+02 3.963858085e+02 nan nan 0.94 6.014673821e+02 6.014673821e+02 nan nan 3.603043532e+02 3.603043532e+02 nan nan 0.96 5.495398162e+02 5.495398162e+02 nan nan 3.278448723e+02 3.278448723e+02 nan nan 0.98 5.027038619e+02 5.027038619e+02 nan nan 2.986150359e+02 2.986150359e+02 7.471800018e+02 7.471800018e+02 1.00 4.603917206e+02 4.603917206e+02 6.399941577e+02 6.399941577e+02 2.722697721e+02 2.722697721e+02 6.856564688e+02 6.856564688e+02 1.02 4.221138774e+02 4.221138774e+02 5.879023814e+02 5.879023814e+02 2.485011662e+02 2.485011662e+02 6.300715064e+02 6.300715064e+02 1.04 3.874343464e+02 3.874343464e+02 5.407632718e+02 5.407632718e+02 2.270375956e+02 2.270375956e+02 5.797753318e+02 5.797753318e+02 1.06 3.559733344e+02 3.559733344e+02 4.980408654e+02 4.980408654e+02 2.076384081e+02 2.076384081e+02 5.341956583e+02 5.341956583e+02 1.08 3.273908257e+02 3.273908257e+02 4.592557189e+02 4.592557189e+02 1.900857997e+02 1.900857997e+02 4.928235555e+02 4.928235555e+02 1.10 3.013895133e+02 3.013895133e+02 4.239926778e+02 4.239926778e+02 1.741896425e+02 1.741896425e+02 4.552128746e+02 4.552128746e+02 1.12 2.777050207e+02 2.777050207e+02 3.918796441e+02 3.918796441e+02 1.597788242e+02 1.597788242e+02 4.209670409e+02 4.209670409e+02 1.14 2.561026055e+02 2.561026055e+02 3.625855723e+02 3.625855723e+02 1.466990652e+02 1.466990652e+02 3.897338790e+02 3.897338790e+02 1.16 2.363726091e+02 2.363726091e+02 3.358206583e+02 3.358206583e+02 1.348143712e+02 1.348143712e+02 3.612020091e+02 3.612020091e+02 1.18 2.183275397e+02 2.183275397e+02 3.113261982e+02 3.113261982e+02 1.240030126e+02 1.240030126e+02 3.350932701e+02 3.350932701e+02 1.20 2.018046223e+02 2.018046223e+02 2.888720106e+02 2.888720106e+02 1.141550859e+02 1.141550859e+02 3.111616660e+02 3.111616660e+02 1.22 1.866561460e+02 1.866561460e+02 2.682526113e+02 2.682526113e+02 1.051718653e+02 1.051718653e+02 2.891899033e+02 2.891899033e+02 1.24 1.727495264e+02 1.727495264e+02 2.492914443e+02 2.492914443e+02 9.696822727e+01 9.696822727e+01 2.689848471e+02 2.689848471e+02 1.26 1.599679622e+02 1.599679622e+02 2.318278135e+02 2.318278135e+02 8.946624962e+01 8.946624962e+01 2.503742427e+02 2.503742427e+02 1.28 1.482064749e+02 1.482064749e+02 2.157189175e+02 2.157189175e+02 8.259641271e+01 8.259641271e+01 2.332043972e+02 2.332043972e+02 1.30 1.373685166e+02 1.373685166e+02 2.008347770e+02 2.008347770e+02 7.629483437e+01 7.629483437e+01 2.173404348e+02 2.173404348e+02 1.32 1.273711507e+02 1.273711507e+02 1.870648010e+02 1.870648010e+02 7.050752911e+01 7.050752911e+01 2.026609604e+02 2.026609604e+02 1.34 1.181396435e+02 1.181396435e+02 1.743089748e+02 1.743089748e+02 6.518546190e+01 6.518546190e+01 1.890572529e+02 1.890572529e+02 1.36 1.096061170e+02 1.096061170e+02 1.624770936e+02 1.624770936e+02 6.028425501e+01 6.028425501e+01 1.764342091e+02 1.764342091e+02 1.38 1.017094165e+02 1.017094165e+02 1.514889493e+02 1.514889493e+02 5.576429179e+01 5.576429179e+01 1.647060311e+02 1.647060311e+02 1.40 9.439447887e+01 9.439447887e+01 1.412723000e+02 1.412723000e+02 5.159006398e+01 5.159006398e+01 1.537956570e+02 1.537956570e+02 1.42 8.761177961e+01 8.761177961e+01 1.317613124e+02 1.317613124e+02 4.772926073e+01 4.772926073e+01 1.436334623e+02 1.436334623e+02 1.44 8.131655059e+01 8.131655059e+01 1.228997152e+02 1.228997152e+02 4.415438899e+01 4.415438899e+01 1.341572056e+02 1.341572056e+02 1.46 7.546870344e+01 7.546870344e+01 1.146351489e+02 1.146351489e+02 4.084001414e+01 4.084001414e+01 1.253129030e+02 1.253129030e+02 1.48 7.003117097e+01 7.003117097e+01 1.069206930e+02 1.069206930e+02 3.776334196e+01 3.776334196e+01 1.170505046e+02 1.170505046e+02 1.50 6.497068074e+01 6.497068074e+01 9.971421456e+01 9.971421456e+01 3.490403811e+01 3.490403811e+01 1.093254994e+02 1.093254994e+02 1.52 6.025876785e+01 6.025876785e+01 9.297738948e+01 9.297738948e+01 3.224379215e+01 3.224379215e+01 1.020973955e+02 1.020973955e+02 1.54 5.586847272e+01 5.586847272e+01 8.667509354e+01 8.667509354e+01 2.976581930e+01 2.976581930e+01 9.532917325e+01 9.532917325e+01 1.56 5.177518940e+01 5.177518940e+01 8.077502050e+01 8.077502050e+01 2.745512514e+01 2.745512514e+01 8.898772262e+01 8.898772262e+01 1.58 4.795660239e+01 4.795660239e+01 7.524833698e+01 7.524833698e+01 2.526622903e+01 2.526622903e+01 8.304260614e+01 8.304260614e+01 1.60 4.439223365e+01 4.439223365e+01 7.007051350e+01 7.007051350e+01 2.324683440e+01 2.324683440e+01 7.746607080e+01 7.746607080e+01 1.62 4.106236029e+01 4.106236029e+01 6.521719499e+01 6.521719499e+01 2.135936933e+01 2.135936933e+01 7.223329740e+01 7.223329740e+01 1.64 3.795145486e+01 3.795145486e+01 6.066671148e+01 6.066671148e+01 1.959307428e+01 1.959307428e+01 6.732139809e+01 6.732139809e+01 1.66 3.504393168e+01 3.504393168e+01 5.639896672e+01 5.639896672e+01 1.793980614e+01 1.793980614e+01 6.270925549e+01 6.270925549e+01 1.68 3.232548600e+01 3.232548600e+01 5.239539741e+01 5.239539741e+01 1.639218534e+01 1.639218534e+01 5.837751886e+01 5.837751886e+01 1.70 2.978293071e+01 2.978293071e+01 4.863886675e+01 4.863886675e+01 1.494350802e+01 1.494350802e+01 5.430821867e+01 5.430821867e+01 1.72 2.740429044e+01 2.740429044e+01 4.511341353e+01 4.511341353e+01 1.358755327e+01 1.358755327e+01 5.048431326e+01 5.048431326e+01 1.74 2.514479628e+01 2.514479628e+01 4.180455713e+01 4.180455713e+01 1.231892000e+01 1.231892000e+01 4.689060566e+01 4.689060566e+01 1.76 2.305395445e+01 2.305395445e+01 3.869870945e+01 3.869870945e+01 1.113249912e+01 1.113249912e+01 4.351338914e+01 4.351338914e+01 1.78 2.109604159e+01 2.109604159e+01 3.578220642e+01 3.578220642e+01 1.002309420e+01 1.002309420e+01 4.033917968e+01 4.033917968e+01 1.80 1.926192286e+01 1.926192286e+01 3.304399597e+01 3.304399597e+01 8.986669620e+00 8.986669620e+00 3.735577926e+01 3.735577926e+01 1.82 1.754462792e+01 1.754462792e+01 3.047367492e+01 3.047367492e+01 8.019410559e+00 8.019410559e+00 3.455182329e+01 3.455182329e+01 1.84 1.593722403e+01 1.593722403e+01 2.802900970e+01 2.802900970e+01 7.117501561e+00 7.117501561e+00 3.191667338e+01 3.191667338e+01 1.86 1.443326376e+01 1.443326376e+01 2.576209576e+01 2.576209576e+01 6.277334162e+00 6.277334162e+00 2.944032652e+01 2.944032652e+01 1.88 1.302674924e+01 1.302674924e+01 2.362912495e+01 2.362912495e+01 5.495424699e+00 5.495424699e+00 2.708089053e+01 2.708089053e+01 1.90 1.171209248e+01 1.171209248e+01 2.162826233e+01 2.162826233e+01 4.768446121e+00 4.768446121e+00 2.488885976e+01 2.488885976e+01 1.92 1.048413411e+01 1.048413411e+01 1.975036199e+01 1.975036199e+01 4.093570005e+00 4.093570005e+00 2.282979288e+01 2.282979288e+01 1.94 9.338005338e+00 9.338005338e+00 1.798862946e+01 1.798862946e+01 3.467908932e+00 3.467908932e+00 2.089530537e+01 2.089530537e+01 1.96 8.269138397e+00 8.269138397e+00 1.633668887e+01 1.633668887e+01 2.888929091e+00 2.888929091e+00 1.907804105e+01 1.907804105e+01 1.98 7.273123059e+00 7.273123059e+00 1.478830889e+01 1.478830889e+01 2.353555772e+00 2.353555772e+00 1.737234889e+01 1.737234889e+01 2.00 6.346026818e+00 6.346026818e+00 1.333809078e+01 1.333809078e+01 1.859473797e+00 1.859473797e+00 1.577224485e+01 1.577224485e+01 2.02 5.484034328e+00 5.484034328e+00 1.198073422e+01 1.198073422e+01 1.404305034e+00 1.404305034e+00 1.427211444e+01 1.427211444e+01 2.04 4.683524913e+00 4.683524913e+00 1.071121300e+01 1.071121300e+01 9.857511563e-01 9.857511563e-01 1.286612469e+01 1.286612469e+01 2.06 3.941069101e+00 3.941069101e+00 9.524721873e+00 9.524721873e+00 6.016146786e-01 6.016146786e-01 1.154957950e+01 1.154957950e+01 2.08 3.253414206e+00 3.253414206e+00 8.416711045e+00 8.416711045e+00 2.497958058e-01 2.497958058e-01 1.031778616e+01 1.031778616e+01 2.10 2.617471703e+00 2.617471703e+00 7.383027897e+00 7.383027897e+00 -7.125554402e-02 -7.125554402e-02 9.166328970e+00 9.166328970e+00 2.12 2.030306049e+00 2.030306049e+00 6.418995391e+00 6.418995391e+00 -3.640011356e-01 -3.640011356e-01 8.090940372e+00 8.090940372e+00 2.14 1.489200074e+00 1.489200074e+00 5.521272577e+00 5.521272577e+00 -6.302566534e-01 -6.302566534e-01 7.087501487e+00 7.087501487e+00 2.16 9.915565305e-01 9.915565305e-01 4.686398961e+00 4.686398961e+00 -8.716284144e-01 -8.716284144e-01 6.152114326e+00 6.152114326e+00 2.18 5.343126919e-01 5.343126919e-01 3.910965946e+00 3.910965946e+00 -1.089745605e+00 -1.089745605e+00 5.281154686e+00 5.281154686e+00 2.20 1.153234970e-01 1.153234970e-01 3.191810905e+00 3.191810905e+00 -1.286149419e+00 -1.286149419e+00 4.471128307e+00 4.471128307e+00 2.22 -2.676255490e-01 -2.676255490e-01 2.525769324e+00 2.525769324e+00 -1.462487390e+00 -1.462487390e+00 3.718714875e+00 3.718714875e+00 2.24 -6.167166531e-01 -6.167166531e-01 1.909909250e+00 1.909909250e+00 -1.620116350e+00 -1.620116350e+00 3.020747140e+00 3.020747140e+00 2.26 -9.340310939e-01 -9.340310939e-01 1.341431016e+00 1.341431016e+00 -1.760341117e+00 -1.760341117e+00 2.374173099e+00 2.374173099e+00 2.28 -1.221698998e+00 -1.221698998e+00 8.176536066e-01 8.176536066e-01 -1.884421396e+00 -1.884421396e+00 1.776203358e+00 1.776203358e+00 2.30 -1.481069737e+00 -1.481069737e+00 3.360196621e-01 3.360196621e-01 -1.993609128e+00 -1.993609128e+00 1.224020303e+00 1.224020303e+00 2.32 -1.714094022e+00 -1.714094022e+00 -1.057958368e-01 -1.057958368e-01 -2.089157442e+00 -2.089157442e+00 7.148398019e-01 7.148398019e-01 2.34 -1.922696725e+00 -1.922696725e+00 -5.102405254e-01 -5.102405254e-01 -2.171730404e+00 -2.171730404e+00 2.464861375e-01 2.464861375e-01 2.36 -2.108519618e+00 -2.108519618e+00 -8.795127541e-01 -8.795127541e-01 -2.242113515e+00 -2.242113515e+00 -1.832736266e-01 -1.832736266e-01 2.38 -2.273523044e+00 -2.273523044e+00 -1.215708469e+00 -1.215708469e+00 -2.301635080e+00 -2.301635080e+00 -5.767237792e-01 -5.767237792e-01 2.40 -2.419126909e+00 -2.419126909e+00 -1.520824558e+00 -1.520824558e+00 -2.351159523e+00 -2.351159523e+00 -9.361164367e-01 -9.361164367e-01 2.42 -2.546273092e+00 -2.546273092e+00 -1.796807442e+00 -1.796807442e+00 -2.391549322e+00 -2.391549322e+00 -1.263511752e+00 -1.263511752e+00 2.44 -2.656367144e+00 -2.656367144e+00 -2.045348722e+00 -2.045348722e+00 -2.423515876e+00 -2.423515876e+00 -1.560798689e+00 -1.560798689e+00 2.46 -2.750673533e+00 -2.750673533e+00 -2.267712622e+00 -2.267712622e+00 -2.447758637e+00 -2.447758637e+00 -1.829984752e+00 -1.829984752e+00 2.48 -2.830383508e+00 -2.830383508e+00 -2.466073825e+00 -2.466073825e+00 -2.464938158e+00 -2.464938158e+00 -2.072273200e+00 -2.072273200e+00 2.50 -2.896839338e+00 -2.896839338e+00 -2.642001376e+00 -2.642001376e+00 -2.475669585e+00 -2.475669585e+00 -2.289514891e+00 -2.289514891e+00 2.52 -2.950902935e+00 -2.950902935e+00 -2.796992816e+00 -2.796992816e+00 -2.480525277e+00 -2.480525277e+00 -2.483475706e+00 -2.483475706e+00 2.54 -2.993530298e+00 -2.993530298e+00 -2.932472390e+00 -2.932472390e+00 -2.480037250e+00 -2.480037250e+00 -2.655680432e+00 -2.655680432e+00 2.56 -3.025185909e+00 -3.025185909e+00 -3.049793760e+00 -3.049793760e+00 -2.474699591e+00 -2.474699591e+00 -2.807613231e+00 -2.807613231e+00 2.58 -3.047258221e+00 -3.047258221e+00 -3.150242364e+00 -3.150242364e+00 -2.464969172e+00 -2.464969172e+00 -2.940755542e+00 -2.940755542e+00 2.60 -3.060604580e+00 -3.060604580e+00 -3.234984730e+00 -3.234984730e+00 -2.451282024e+00 -2.451282024e+00 -3.056280813e+00 -3.056280813e+00 2.62 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