# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1990--Ackland-G-J-Vitek-V--Cu-Ag-Au # implementation = 1990--Ackland-G-J--Cu-Ag-Au--LAMMPS--ipr1 # composition = AgAu # 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 2023-05-12 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 3.625611733e+02 3.625611733e+02 nan nan 0.74 nan nan nan nan 3.305605503e+02 3.305605503e+02 nan nan 0.76 nan nan nan nan 3.019337672e+02 3.019337672e+02 nan nan 0.78 nan nan nan nan 2.761353492e+02 2.761353492e+02 nan nan 0.80 4.120057788e+02 4.120057788e+02 nan nan 2.526975133e+02 2.526975133e+02 nan nan 0.82 3.794452623e+02 3.794452623e+02 nan nan 2.315726892e+02 2.315726892e+02 nan nan 0.84 3.499435796e+02 3.499435796e+02 nan nan 2.125297911e+02 2.125297911e+02 nan nan 0.86 3.230844348e+02 3.230844348e+02 nan nan 1.952759364e+02 1.952759364e+02 nan nan 0.88 2.986648201e+02 2.986648201e+02 nan nan 1.795965025e+02 1.795965025e+02 nan nan 0.90 2.763244606e+02 2.763244606e+02 nan nan 1.653069684e+02 1.653069684e+02 nan nan 0.92 2.557883468e+02 2.557883468e+02 3.453360072e+02 3.453360072e+02 1.522740788e+02 1.522740788e+02 3.664624524e+02 3.664624524e+02 0.94 2.370422413e+02 2.370422413e+02 3.209426836e+02 3.209426836e+02 1.403694498e+02 1.403694498e+02 3.409794273e+02 3.409794273e+02 0.96 2.199451599e+02 2.199451599e+02 2.985927771e+02 2.985927771e+02 1.294888077e+02 1.294888077e+02 3.176124877e+02 3.176124877e+02 0.98 2.043092801e+02 2.043092801e+02 2.781248584e+02 2.781248584e+02 1.195894779e+02 1.195894779e+02 2.960889027e+02 2.960889027e+02 1.00 1.899406482e+02 1.899406482e+02 2.594240949e+02 2.594240949e+02 1.105300444e+02 1.105300444e+02 2.761758321e+02 2.761758321e+02 1.02 1.767248551e+02 1.767248551e+02 2.422852241e+02 2.422852241e+02 1.021595528e+02 1.021595528e+02 2.577510947e+02 2.577510947e+02 1.04 1.645185005e+02 1.645185005e+02 2.264393225e+02 2.264393225e+02 9.435092080e+01 9.435092080e+01 2.407444197e+02 2.407444197e+02 1.06 1.532353283e+02 1.532353283e+02 2.116868773e+02 2.116868773e+02 8.702138859e+01 8.702138859e+01 2.250145039e+02 2.250145039e+02 1.08 1.427927995e+02 1.427927995e+02 1.979080059e+02 1.979080059e+02 8.014908404e+01 8.014908404e+01 2.104185128e+02 2.104185128e+02 1.10 1.331061789e+02 1.331061789e+02 1.851019793e+02 1.851019793e+02 7.380912333e+01 7.380912333e+01 1.968616401e+02 1.968616401e+02 1.12 1.241567072e+02 1.241567072e+02 1.732301792e+02 1.732301792e+02 6.801654104e+01 6.801654104e+01 1.842958092e+02 1.842958092e+02 1.14 1.158798380e+02 1.158798380e+02 1.622200432e+02 1.622200432e+02 6.270058585e+01 6.270058585e+01 1.726520919e+02 1.726520919e+02 1.16 1.081699837e+02 1.081699837e+02 1.519845424e+02 1.519845424e+02 5.778491529e+01 5.778491529e+01 1.618452209e+02 1.618452209e+02 1.18 1.009374074e+02 1.009374074e+02 1.424259760e+02 1.424259760e+02 5.321842671e+01 5.321842671e+01 1.518093007e+02 1.518093007e+02 1.20 9.411364872e+01 9.411364872e+01 1.334768490e+02 1.334768490e+02 4.897734125e+01 4.897734125e+01 1.424986550e+02 1.424986550e+02 1.22 8.764993142e+01 8.764993142e+01 1.250815138e+02 1.250815138e+02 4.502655087e+01 4.502655087e+01 1.338370330e+02 1.338370330e+02 1.24 8.152536995e+01 8.152536995e+01 1.172188742e+02 1.172188742e+02 4.133239921e+01 4.133239921e+01 1.257427163e+02 1.257427163e+02 1.26 7.578693164e+01 7.578693164e+01 1.098455455e+02 1.098455455e+02 3.786258296e+01 3.786258296e+01 1.181519359e+02 1.181519359e+02 1.28 7.047857915e+01 7.047857915e+01 1.029203718e+02 1.029203718e+02 3.461182069e+01 3.461182069e+01 1.110087911e+02 1.110087911e+02 1.30 6.557305311e+01 6.557305311e+01 9.643028837e+01 9.643028837e+01 3.160450382e+01 3.160450382e+01 1.042668660e+02 1.042668660e+02 1.32 6.102342288e+01 6.102342288e+01 9.034026118e+01 9.034026118e+01 2.884224379e+01 2.884224379e+01 9.791971308e+01 9.791971308e+01 1.34 5.678441432e+01 5.678441432e+01 8.461126610e+01 8.461126610e+01 2.630064716e+01 2.630064716e+01 9.196717345e+01 9.196717345e+01 1.36 5.282617766e+01 5.282617766e+01 7.924372039e+01 7.924372039e+01 2.395441479e+01 2.395441479e+01 8.638307989e+01 8.638307989e+01 1.38 4.913164071e+01 4.913164071e+01 7.423058215e+01 7.423058215e+01 2.177855033e+01 2.177855033e+01 8.114867169e+01 8.114867169e+01 1.40 4.567562076e+01 4.567562076e+01 6.953722234e+01 6.953722234e+01 1.975385450e+01 1.975385450e+01 7.624156482e+01 7.624156482e+01 1.42 4.243184948e+01 4.243184948e+01 6.513687940e+01 6.513687940e+01 1.787316819e+01 1.787316819e+01 7.162952422e+01 7.162952422e+01 1.44 3.937725774e+01 3.937725774e+01 6.101538560e+01 6.101538560e+01 1.614135467e+01 1.614135467e+01 6.729216043e+01 6.729216043e+01 1.46 3.648815254e+01 3.648815254e+01 5.715957337e+01 5.715957337e+01 1.456276806e+01 1.456276806e+01 6.321639474e+01 6.321639474e+01 1.48 3.376800204e+01 3.376800204e+01 5.355198090e+01 5.355198090e+01 1.312773544e+01 1.312773544e+01 5.938253008e+01 5.938253008e+01 1.50 3.123029419e+01 3.123029419e+01 5.017360423e+01 5.017360423e+01 1.182120579e+01 1.182120579e+01 5.577171953e+01 5.577171953e+01 1.52 2.887254453e+01 2.887254453e+01 4.700547362e+01 4.700547362e+01 1.062816228e+01 1.062816228e+01 5.237403685e+01 5.237403685e+01 1.54 2.667584946e+01 2.667584946e+01 4.402921166e+01 4.402921166e+01 9.533827750e+00 9.533827750e+00 4.917934129e+01 4.917934129e+01 1.56 2.462090434e+01 2.462090434e+01 4.123323696e+01 4.123323696e+01 8.525878036e+00 8.525878036e+00 4.617049051e+01 4.617049051e+01 1.58 2.269087571e+01 2.269087571e+01 3.860443046e+01 3.860443046e+01 7.594130125e+00 7.594130125e+00 4.333270772e+01 4.333270772e+01 1.60 2.087334393e+01 2.087334393e+01 3.612796105e+01 3.612796105e+01 6.728586609e+00 6.728586609e+00 4.065956744e+01 4.065956744e+01 1.62 1.916019960e+01 1.916019960e+01 3.378775923e+01 3.378775923e+01 5.919482457e+00 5.919482457e+00 3.814483343e+01 3.814483343e+01 1.64 1.754886612e+01 1.754886612e+01 3.157608714e+01 3.157608714e+01 5.165748094e+00 5.165748094e+00 3.578055513e+01 3.578055513e+01 1.66 1.604336574e+01 1.604336574e+01 2.949821021e+01 2.949821021e+01 4.479300764e+00 4.479300764e+00 3.355342394e+01 3.355342394e+01 1.68 1.464751561e+01 1.464751561e+01 2.755912313e+01 2.755912313e+01 3.871773947e+00 3.871773947e+00 3.144843861e+01 3.144843861e+01 1.70 1.335687263e+01 1.335687263e+01 2.574959779e+01 2.574959779e+01 3.340551055e+00 3.340551055e+00 2.945109249e+01 2.945109249e+01 1.72 1.216204383e+01 1.216204383e+01 2.405182691e+01 2.405182691e+01 2.874408437e+00 2.874408437e+00 2.755292449e+01 2.755292449e+01 1.74 1.105361329e+01 1.105361329e+01 2.244793703e+01 2.244793703e+01 2.462028123e+00 2.462028123e+00 2.575658259e+01 2.575658259e+01 1.76 1.002223370e+01 1.002223370e+01 2.092013489e+01 2.092013489e+01 2.092144371e+00 2.092144371e+00 2.406689415e+01 2.406689415e+01 1.78 9.058773138e+00 9.058773138e+00 1.945193189e+01 1.945193189e+01 1.753895231e+00 1.753895231e+00 2.248248110e+01 2.248248110e+01 1.80 8.155876787e+00 8.155876787e+00 1.804160116e+01 1.804160116e+01 1.440757832e+00 1.440757832e+00 2.099414525e+01 2.099414525e+01 1.82 7.307423133e+00 7.307423133e+00 1.669765935e+01 1.669765935e+01 1.149270351e+00 1.149270351e+00 1.959237007e+01 1.959237007e+01 1.84 6.507322890e+00 6.507322890e+00 1.542955155e+01 1.542955155e+01 8.771496997e-01 8.771496997e-01 1.826769208e+01 1.826769208e+01 1.86 5.749354592e+00 5.749354592e+00 1.423754473e+01 1.423754473e+01 6.231217248e-01 6.231217248e-01 1.701173475e+01 1.701173475e+01 1.88 5.028883382e+00 5.028883382e+00 1.311569951e+01 1.311569951e+01 3.857059971e-01 3.857059971e-01 1.582035322e+01 1.582035322e+01 1.90 4.350938350e+00 4.350938350e+00 1.205789454e+01 1.205789454e+01 1.633441537e-01 1.633441537e-01 1.469207138e+01 1.469207138e+01 1.92 3.724240382e+00 3.724240382e+00 1.105802679e+01 1.105802679e+01 -4.549724043e-02 -4.549724043e-02 1.362483340e+01 1.362483340e+01 1.94 3.156109366e+00 3.156109366e+00 1.011002287e+01 1.011002287e+01 -2.423228684e-01 -2.423228684e-01 1.261297360e+01 1.261297360e+01 1.96 2.643919368e+00 2.643919368e+00 9.208866332e+00 9.208866332e+00 -4.286050343e-01 -4.286050343e-01 1.164996738e+01 1.164996738e+01 1.98 2.180592565e+00 2.180592565e+00 8.351816876e+00 8.351816876e+00 -6.057716699e-01 -6.057716699e-01 1.073033842e+01 1.073033842e+01 2.00 1.759045165e+00 1.759045165e+00 7.537403621e+00 7.537403621e+00 -7.742928917e-01 -7.742928917e-01 9.852737078e+00 9.852737078e+00 2.02 1.372316231e+00 1.372316231e+00 6.766138533e+00 6.766138533e+00 -9.326580424e-01 -9.326580424e-01 9.017678542e+00 9.017678542e+00 2.04 1.014062956e+00 1.014062956e+00 6.038840014e+00 6.038840014e+00 -1.079044485e+00 -1.079044485e+00 8.225800144e+00 8.225800144e+00 2.06 6.790766173e-01 6.790766173e-01 5.355789916e+00 5.355789916e+00 -1.212099728e+00 -1.212099728e+00 7.476345320e+00 7.476345320e+00 2.08 3.655741592e-01 3.655741592e-01 4.714884654e+00 4.714884654e+00 -1.332607771e+00 -1.332607771e+00 6.766156434e+00 6.766156434e+00 2.10 7.240879794e-02 7.240879794e-02 4.113375184e+00 4.113375184e+00 -1.441923431e+00 -1.441923431e+00 6.092206120e+00 6.092206120e+00 2.12 -2.015573240e-01 -2.015573240e-01 3.548543098e+00 3.548543098e+00 -1.541359381e+00 -1.541359381e+00 5.451692766e+00 5.451692766e+00 2.14 -4.574530341e-01 -4.574530341e-01 3.017687263e+00 3.017687263e+00 -1.632197167e+00 -1.632197167e+00 4.841970815e+00 4.841970815e+00 2.16 -6.963965592e-01 -6.963965592e-01 2.518052396e+00 2.518052396e+00 -1.715745830e+00 -1.715745830e+00 4.260532191e+00 4.260532191e+00 2.18 -9.194936878e-01 -9.194936878e-01 2.046909543e+00 2.046909543e+00 -1.793275107e+00 -1.793275107e+00 3.705266707e+00 3.705266707e+00 2.20 -1.127835636e+00 -1.127835636e+00 1.602373967e+00 1.602373967e+00 -1.865318234e+00 -1.865318234e+00 3.174600180e+00 3.174600180e+00 2.22 -1.322496617e+00 -1.322496617e+00 1.182970216e+00 1.182970216e+00 -1.932042220e+00 -1.932042220e+00 2.667354523e+00 2.667354523e+00 2.24 -1.504531207e+00 -1.504531207e+00 7.872312224e-01 7.872312224e-01 -1.993606048e+00 -1.993606048e+00 2.183364758e+00 2.183364758e+00 2.26 -1.674971723e+00 -1.674971723e+00 4.136945137e-01 4.136945137e-01 -2.050164446e+00 -2.050164446e+00 1.722699007e+00 1.722699007e+00 2.28 -1.834826013e+00 -1.834826013e+00 6.090252467e-02 6.090252467e-02 -2.101867640e+00 -2.101867640e+00 1.285412446e+00 1.285412446e+00 2.30 -1.984791891e+00 -1.984791891e+00 -2.722166430e-01 -2.722166430e-01 -2.148861199e+00 -2.148861199e+00 8.712237802e-01 8.712237802e-01 2.32 -2.124220409e+00 -2.124220409e+00 -5.849606589e-01 -5.849606589e-01 -2.191285270e+00 -2.191285270e+00 4.808025008e-01 4.808025008e-01 2.34 -2.252020497e+00 -2.252020497e+00 -8.760532453e-01 -8.760532453e-01 -2.229271429e+00 -2.229271429e+00 1.152653193e-01 1.152653193e-01 2.36 -2.367087328e+00 -2.367087328e+00 -1.144221993e+00 -1.144221993e+00 -2.262948904e+00 -2.262948904e+00 -2.242875606e-01 -2.242875606e-01 2.38 -2.468914388e+00 -2.468914388e+00 -1.389023057e+00 -1.389023057e+00 -2.292468511e+00 -2.292468511e+00 -5.375444018e-01 -5.375444018e-01 2.40 -2.558380679e+00 -2.558380679e+00 -1.611783541e+00 -1.611783541e+00 -2.317948811e+00 -2.317948811e+00 -8.260019653e-01 -8.260019653e-01 2.42 -2.636562014e+00 -2.636562014e+00 -1.813786356e+00 -1.813786356e+00 -2.339246008e+00 -2.339246008e+00 -1.091540955e+00 -1.091540955e+00 2.44 -2.704513057e+00 -2.704513057e+00 -1.996630045e+00 -1.996630045e+00 -2.356470390e+00 -2.356470390e+00 -1.335880703e+00 -1.335880703e+00 2.46 -2.763265904e+00 -2.763265904e+00 -2.161911973e+00 -2.161911973e+00 -2.369727981e+00 -2.369727981e+00 -1.560535032e+00 -1.560535032e+00 2.48 -2.813828511e+00 -2.813828511e+00 -2.311224842e+00 -2.311224842e+00 -2.379117547e+00 -2.379117547e+00 -1.767006799e+00 -1.767006799e+00 2.50 -2.857182777e+00 -2.857182777e+00 -2.446155997e+00 -2.446155997e+00 -2.384730088e+00 -2.384730088e+00 -1.956794595e+00 -1.956794595e+00 2.52 -2.894149871e+00 -2.894149871e+00 -2.568130925e+00 -2.568130925e+00 -2.386715907e+00 -2.386715907e+00 -2.131282118e+00 -2.131282118e+00 2.54 -2.925058138e+00 -2.925058138e+00 -2.678019897e+00 -2.678019897e+00 -2.385450418e+00 -2.385450418e+00 -2.291487689e+00 -2.291487689e+00 2.56 -2.950112985e+00 -2.950112985e+00 -2.776554246e+00 -2.776554246e+00 -2.381362436e+00 -2.381362436e+00 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