# 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 = AgNi # 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 4.463325604e+02 4.463325604e+02 nan nan 0.78 nan nan nan nan 4.009042719e+02 4.009042719e+02 nan nan 0.80 nan nan nan nan 3.608550552e+02 3.608550552e+02 nan nan 0.82 nan nan nan nan 3.254578081e+02 3.254578081e+02 nan nan 0.84 nan nan nan nan 2.940951708e+02 2.940951708e+02 nan nan 0.86 nan nan nan nan 2.662494452e+02 2.662494452e+02 nan nan 0.88 4.084564188e+02 4.084564188e+02 nan nan 2.414761231e+02 2.414761231e+02 nan nan 0.90 3.734089697e+02 3.734089697e+02 nan nan 2.193866623e+02 2.193866623e+02 nan nan 0.92 3.418894807e+02 3.418894807e+02 nan nan 1.996509710e+02 1.996509710e+02 nan nan 0.94 3.134645939e+02 3.134645939e+02 nan nan 1.819795255e+02 1.819795255e+02 nan nan 0.96 2.877524079e+02 2.877524079e+02 nan nan 1.661257045e+02 1.661257045e+02 nan nan 0.98 2.644419660e+02 2.644419660e+02 nan nan 1.518727185e+02 1.518727185e+02 3.915922539e+02 3.915922539e+02 1.00 2.432590194e+02 2.432590194e+02 3.393875210e+02 3.393875210e+02 1.390312028e+02 1.390312028e+02 3.620163239e+02 3.620163239e+02 1.02 2.239690280e+02 2.239690280e+02 3.139360845e+02 3.139360845e+02 1.274434197e+02 1.274434197e+02 3.350798817e+02 3.350798817e+02 1.04 2.063613182e+02 2.063613182e+02 2.906718409e+02 2.906718409e+02 1.169651020e+02 1.169651020e+02 3.104765097e+02 3.104765097e+02 1.06 1.902570100e+02 1.902570100e+02 2.693542495e+02 2.693542495e+02 1.074719025e+02 1.074719025e+02 2.879414981e+02 2.879414981e+02 1.08 1.755021002e+02 1.755021002e+02 2.497723875e+02 2.497723875e+02 9.885505550e+01 9.885505550e+01 2.672489365e+02 2.672489365e+02 1.10 1.619610939e+02 1.619610939e+02 2.317381803e+02 2.317381803e+02 9.101590269e+01 9.101590269e+01 2.482044056e+02 2.482044056e+02 1.12 1.495148264e+02 1.495148264e+02 2.150968987e+02 2.150968987e+02 8.387130225e+01 8.387130225e+01 2.306384087e+02 2.306384087e+02 1.14 1.380593873e+02 1.380593873e+02 1.997124733e+02 1.997124733e+02 7.734828348e+01 7.734828348e+01 2.144017569e+02 2.144017569e+02 1.16 1.275025413e+02 1.275025413e+02 1.854680345e+02 1.854680345e+02 7.138608072e+01 7.138608072e+01 1.993667238e+02 1.993667238e+02 1.18 1.177617451e+02 1.177617451e+02 1.722538406e+02 1.722538406e+02 6.592596423e+01 6.592596423e+01 1.854230533e+02 1.854230533e+02 1.20 1.087674411e+02 1.087674411e+02 1.599839318e+02 1.599839318e+02 6.091927474e+01 6.091927474e+01 1.724728879e+02 1.724728879e+02 1.22 1.004551194e+02 1.004551194e+02 1.485776962e+02 1.485776962e+02 5.632123949e+01 5.632123949e+01 1.604265419e+02 1.604265419e+02 1.24 9.276795947e+01 9.276795947e+01 1.379645953e+02 1.379645953e+02 5.209383379e+01 5.209383379e+01 1.492115052e+02 1.492115052e+02 1.26 8.565435720e+01 8.565435720e+01 1.280793960e+02 1.280793960e+02 4.820197539e+01 4.820197539e+01 1.387607108e+02 1.387607108e+02 1.28 7.906814027e+01 7.906814027e+01 1.188635513e+02 1.188635513e+02 4.461417628e+01 4.461417628e+01 1.290136171e+02 1.290136171e+02 1.30 7.296262714e+01 7.296262714e+01 1.102696273e+02 1.102696273e+02 4.130329779e+01 4.130329779e+01 1.199138992e+02 1.199138992e+02 1.32 6.730500240e+01 6.730500240e+01 1.022527569e+02 1.022527569e+02 3.824519965e+01 3.824519965e+01 1.114160269e+02 1.114160269e+02 1.34 6.206093642e+01 6.206093642e+01 9.477086879e+01 9.477086879e+01 3.541730409e+01 3.541730409e+01 1.034768274e+02 1.034768274e+02 1.36 5.719881627e+01 5.719881627e+01 8.778823091e+01 8.778823091e+01 3.280199680e+01 3.280199680e+01 9.605655050e+01 9.605655050e+01 1.38 5.269197878e+01 5.269197878e+01 8.127163152e+01 8.127163152e+01 3.038194729e+01 3.038194729e+01 8.912121776e+01 8.912121776e+01 1.40 4.851395586e+01 4.851395586e+01 7.518785370e+01 7.518785370e+01 2.814139495e+01 2.814139495e+01 8.263879128e+01 8.263879128e+01 1.42 4.464143743e+01 4.464143743e+01 6.950738295e+01 6.950738295e+01 2.606465254e+01 2.606465254e+01 7.657955622e+01 7.657955622e+01 1.44 4.105282181e+01 4.105282181e+01 6.420740227e+01 6.420740227e+01 2.414011916e+01 2.414011916e+01 7.091683650e+01 7.091683650e+01 1.46 3.772669666e+01 3.772669666e+01 5.926448056e+01 5.926448056e+01 2.235666687e+01 2.235666687e+01 6.562533105e+01 6.562533105e+01 1.48 3.464530853e+01 3.464530853e+01 5.465516239e+01 5.465516239e+01 2.070286566e+01 2.070286566e+01 6.068216559e+01 6.068216559e+01 1.50 3.179170485e+01 3.179170485e+01 5.035904265e+01 5.035904265e+01 1.913736636e+01 1.913736636e+01 5.606546492e+01 5.606546492e+01 1.52 2.915032521e+01 2.915032521e+01 4.635728006e+01 4.635728006e+01 1.771403158e+01 1.771403158e+01 5.175620908e+01 5.175620908e+01 1.54 2.670474676e+01 2.670474676e+01 4.263122043e+01 4.263122043e+01 1.639091832e+01 1.639091832e+01 4.773568820e+01 4.773568820e+01 1.56 2.444339136e+01 2.444339136e+01 3.916410788e+01 3.916410788e+01 1.516113888e+01 1.516113888e+01 4.398512776e+01 4.398512776e+01 1.58 2.235389692e+01 2.235389692e+01 3.593986560e+01 3.593986560e+01 1.401803711e+01 1.401803711e+01 4.048834999e+01 4.048834999e+01 1.60 2.042436259e+01 2.042436259e+01 3.294339842e+01 3.294339842e+01 1.291722205e+01 1.291722205e+01 3.723135364e+01 3.723135364e+01 1.62 1.864145186e+01 1.864145186e+01 3.015785060e+01 3.015785060e+01 1.189972344e+01 1.189972344e+01 3.419890684e+01 3.419890684e+01 1.64 1.699744440e+01 1.699744440e+01 2.757239971e+01 2.757239971e+01 1.092324762e+01 1.092324762e+01 3.137783959e+01 3.137783959e+01 1.66 1.548270435e+01 1.548270435e+01 2.517497743e+01 2.517497743e+01 9.989150339e+00 9.989150339e+00 2.875471983e+01 2.875471983e+01 1.68 1.408810148e+01 1.408810148e+01 2.295387658e+01 2.295387658e+01 9.098154180e+00 9.098154180e+00 2.631763052e+01 2.631763052e+01 1.70 1.277237115e+01 1.277237115e+01 2.089755831e+01 2.089755831e+01 8.250197180e+00 8.250197180e+00 2.405563231e+01 2.405563231e+01 1.72 1.158910884e+01 1.158910884e+01 1.899392663e+01 1.899392663e+01 7.443868267e+00 7.443868267e+00 2.195783611e+01 2.195783611e+01 1.74 1.049994241e+01 1.049994241e+01 1.723524798e+01 1.723524798e+01 6.680645372e+00 6.680645372e+00 2.001398248e+01 2.001398248e+01 1.76 9.459827329e+00 9.459827329e+00 1.561209689e+01 1.561209689e+01 5.959752443e+00 5.959752443e+00 1.821432206e+01 1.821432206e+01 1.78 8.514321404e+00 8.514321404e+00 1.411560184e+01 1.411560184e+01 5.280214902e+00 5.280214902e+00 1.654881088e+01 1.654881088e+01 1.80 7.620084619e+00 7.620084619e+00 1.273740909e+01 1.273740909e+01 4.640894567e+00 4.640894567e+00 1.500879251e+01 1.500879251e+01 1.82 6.776049291e+00 6.776049291e+00 1.146965398e+01 1.146965398e+01 4.040525037e+00 4.040525037e+00 1.358699903e+01 1.358699903e+01 1.84 5.980955646e+00 5.980955646e+00 1.027255877e+01 1.027255877e+01 3.478020407e+00 3.478020407e+00 1.227599118e+01 1.227599118e+01 1.86 5.233210573e+00 5.233210573e+00 9.200895671e+00 9.200895671e+00 2.952693809e+00 2.952693809e+00 1.106803123e+01 1.106803123e+01 1.88 4.531326062e+00 4.531326062e+00 8.177083666e+00 8.177083666e+00 2.461748604e+00 2.461748604e+00 9.924559952e+00 9.924559952e+00 1.90 3.873836875e+00 3.873836875e+00 7.253105559e+00 7.253105559e+00 2.003803094e+00 2.003803094e+00 8.865040144e+00 8.865040144e+00 1.92 3.259013463e+00 3.259013463e+00 6.382857761e+00 6.382857761e+00 1.576946536e+00 1.576946536e+00 7.912393451e+00 7.912393451e+00 1.94 2.685082457e+00 2.685082457e+00 5.564971922e+00 5.564971922e+00 1.179941918e+00 1.179941918e+00 7.014879266e+00 7.014879266e+00 1.96 2.150218927e+00 2.150218927e+00 4.798041824e+00 4.798041824e+00 8.116118393e-01 8.116118393e-01 6.170324188e+00 6.170324188e+00 1.98 1.651175076e+00 1.651175076e+00 4.079788119e+00 4.079788119e+00 4.704170560e-01 4.704170560e-01 5.377201352e+00 5.377201352e+00 2.00 1.187868949e+00 1.187868949e+00 3.408392344e+00 3.408392344e+00 1.549574079e-01 1.549574079e-01 4.633445898e+00 4.633445898e+00 2.02 7.584967637e-01 7.584967637e-01 2.781804344e+00 2.781804344e+00 -1.361332552e-01 -1.361332552e-01 3.936981525e+00 3.936981525e+00 2.04 3.626094500e-01 3.626094500e-01 2.197957811e+00 2.197957811e+00 -4.042034022e-01 -4.042034022e-01 3.285668716e+00 3.285668716e+00 2.06 -3.023878875e-03 -3.023878875e-03 1.654810178e+00 1.654810178e+00 -6.505524335e-01 -6.505524335e-01 2.677422939e+00 2.677422939e+00 2.08 -3.400579811e-01 -3.400579811e-01 1.150328657e+00 1.150328657e+00 -8.759566597e-01 -8.759566597e-01 2.109948406e+00 2.109948406e+00 2.10 -6.500767357e-01 -6.500767357e-01 6.822623396e-01 6.822623396e-01 -1.082393750e+00 -1.082393750e+00 1.581109822e+00 1.581109822e+00 2.12 -9.346095457e-01 -9.346095457e-01 2.490641719e-01 2.490641719e-01 -1.270738471e+00 -1.270738471e+00 1.089556286e+00 1.089556286e+00 2.14 -1.195132344e+00 -1.195132344e+00 -1.511341138e-01 -1.511341138e-01 -1.442090832e+00 -1.442090832e+00 6.333089146e-01 6.333089146e-01 2.16 -1.433857928e+00 -1.433857928e+00 -5.202549876e-01 -5.202549876e-01 -1.597497682e+00 -1.597497682e+00 2.106653684e-01 2.106653684e-01 2.18 -1.651526012e+00 -1.651526012e+00 -8.590101983e-01 -8.590101983e-01 -1.737955969e+00 -1.737955969e+00 -1.801695717e-01 -1.801695717e-01 2.20 -1.849034887e+00 -1.849034887e+00 -1.169832765e+00 -1.169832765e+00 -1.864413857e+00 -1.864413857e+00 -5.406983011e-01 -5.406983011e-01 2.22 -2.027743399e+00 -2.027743399e+00 -1.454743014e+00 -1.454743014e+00 -1.977839210e+00 -1.977839210e+00 -8.719476406e-01 -8.719476406e-01 2.24 -2.188834041e+00 -2.188834041e+00 -1.715137789e+00 -1.715137789e+00 -2.078944908e+00 -2.078944908e+00 -1.176870775e+00 -1.176870775e+00 2.26 -2.333406872e+00 -2.333406872e+00 -1.952414096e+00 -1.952414096e+00 -2.168601071e+00 -2.168601071e+00 -1.456680841e+00 -1.456680841e+00 2.28 -2.462211586e+00 -2.462211586e+00 -2.167959237e+00 -2.167959237e+00 -2.247583365e+00 -2.247583365e+00 -1.712755318e+00 -1.712755318e+00 2.30 -2.576687193e+00 -2.576687193e+00 -2.363095700e+00 -2.363095700e+00 -2.316614829e+00 -2.316614829e+00 -1.946477810e+00 -1.946477810e+00 2.32 -2.677729043e+00 -2.677729043e+00 -2.539082426e+00 -2.539082426e+00 -2.376378208e+00 -2.376378208e+00 -2.159235259e+00 -2.159235259e+00 2.34 -2.766239698e+00 -2.766239698e+00 -2.697085626e+00 -2.697085626e+00 -2.427517672e+00 -2.427517672e+00 -2.352324719e+00 -2.352324719e+00 2.36 -2.843072545e+00 -2.843072545e+00 -2.838109540e+00 -2.838109540e+00 -2.470640507e+00 -2.470640507e+00 -2.526820049e+00 -2.526820049e+00 2.38 -2.909033781e+00 -2.909033781e+00 -2.963422352e+00 -2.963422352e+00 -2.506318824e+00 -2.506318824e+00 -2.683864063e+00 -2.683864063e+00 2.40 -2.964886507e+00 -2.964886507e+00 -3.074044256e+00 -3.074044256e+00 -2.535090538e+00 -2.535090538e+00 -2.824399601e+00 -2.824399601e+00 2.42 -3.011604215e+00 -3.011604215e+00 -3.171212764e+00 -3.171212764e+00 -2.557510633e+00 -2.557510633e+00 -2.949998143e+00 -2.949998143e+00 2.44 -3.049560675e+00 -3.049560675e+00 -3.255140176e+00 -3.255140176e+00 -2.573616640e+00 -2.573616640e+00 -3.061238609e+00 -3.061238609e+00 2.46 -3.079347160e+00 -3.079347160e+00 -3.327133126e+00 -3.327133126e+00 -2.583627115e+00 -2.583627115e+00 -3.158814662e+00 -3.158814662e+00 2.48 -3.101644009e+00 -3.101644009e+00 -3.388004446e+00 -3.388004446e+00 -2.588647527e+00 -2.588647527e+00 -3.243545286e+00 -3.243545286e+00 2.50 -3.117178105e+00 -3.117178105e+00 -3.438524894e+00 -3.438524894e+00 -2.589058353e+00 -2.589058353e+00 -3.316581035e+00 -3.316581035e+00 2.52 -3.126317355e+00 -3.126317355e+00 -3.480120010e+00 -3.480120010e+00 -2.585662322e+00 -2.585662322e+00 -3.378703734e+00 -3.378703734e+00 2.54 -3.129548909e+00 -3.129548909e+00 -3.513059227e+00 -3.513059227e+00 -2.578552542e+00 -2.578552542e+00 -3.430652815e+00 -3.430652815e+00 2.56 -3.127343862e+00 -3.127343862e+00 -3.537627830e+00 -3.537627830e+00 -2.567824272e+00 -2.567824272e+00 -3.473126121e+00 -3.473126121e+00 2.58 -3.120144139e+00 -3.120144139e+00 -3.554443560e+00 -3.554443560e+00 -2.553781712e+00 -2.553781712e+00 -3.506834288e+00 -3.506834288e+00 2.60 -3.108364068e+00 -3.108364068e+00 -3.564088453e+00 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