# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2023--Daw-M-S-Chandross-M--Cu-Ag-Au-Ni-Pd-Pt # implementation = 2023--Daw-M-S--Cu-Ag-Au-Ni-Pd-Pt--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 2026-08-31 r B1--NaCl--rock-s B1--NaCl--rock-s B2--CsCl B2--CsCl B3--ZnS--cubic-z B3--ZnS--cubic-z B4--ZnS--wurtzit B4--ZnS--wurtzit L1_0--AuCu L1_0--AuCu 0.50 nan nan nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan nan nan 0.68 nan nan nan nan 5.741950354e+06 5.741950354e+06 5.730994284e+06 5.730994284e+06 nan nan 0.70 nan nan nan nan 5.115463583e+06 5.115463583e+06 5.105476864e+06 5.105476864e+06 nan nan 0.72 nan nan nan nan 4.557310846e+06 4.557310846e+06 4.548277131e+06 4.548277131e+06 nan nan 0.74 nan nan nan nan 4.058578687e+06 4.058578687e+06 4.050400763e+06 4.050400763e+06 nan nan 0.76 nan nan nan nan 3.611630781e+06 3.611630781e+06 3.604200857e+06 3.604200857e+06 nan nan 0.78 5.867383146e+06 5.867383146e+06 nan nan 3.209974488e+06 3.209974488e+06 3.203208293e+06 3.203208293e+06 nan nan 0.80 5.305599254e+06 5.305599254e+06 nan nan 2.848136870e+06 2.848136870e+06 2.841931566e+06 2.841931566e+06 nan nan 0.82 4.797752906e+06 4.797752906e+06 nan nan 2.521306564e+06 2.521306564e+06 2.515628948e+06 2.515628948e+06 nan nan 0.84 4.337629802e+06 4.337629802e+06 nan nan 2.225422211e+06 2.225422211e+06 2.220203528e+06 2.220203528e+06 nan nan 0.86 3.919839604e+06 3.919839604e+06 5.620188154e+06 5.620188154e+06 1.956944047e+06 1.956944047e+06 1.952148937e+06 1.952148937e+06 nan nan 0.88 3.539687165e+06 3.539687165e+06 5.124053483e+06 5.124053483e+06 1.712794494e+06 1.712794494e+06 1.708424043e+06 1.708424043e+06 5.485196045e+06 5.485196045e+06 0.90 3.193029412e+06 3.193029412e+06 4.671484660e+06 4.671484660e+06 1.490355439e+06 1.490355439e+06 1.486374619e+06 1.486374619e+06 5.008636925e+06 5.008636925e+06 0.92 2.876298416e+06 2.876298416e+06 4.257865467e+06 4.257865467e+06 1.287300854e+06 1.287300854e+06 1.283703274e+06 1.283703274e+06 4.573071397e+06 4.573071397e+06 0.94 2.586383625e+06 2.586383625e+06 3.879116757e+06 3.879116757e+06 1.101637183e+06 1.101637183e+06 1.098367079e+06 1.098367079e+06 4.174200824e+06 4.174200824e+06 0.96 2.320554537e+06 2.320554537e+06 3.531724264e+06 3.531724264e+06 9.316210403e+05 9.316210403e+05 9.285845583e+05 9.285845583e+05 3.808293518e+06 3.808293518e+06 0.98 2.076387698e+06 2.076387698e+06 3.212486873e+06 3.212486873e+06 7.756192853e+05 7.756192853e+05 7.727953244e+05 7.727953244e+05 3.472007127e+06 3.472007127e+06 1.00 1.851730543e+06 1.851730543e+06 2.918617906e+06 2.918617906e+06 6.322316311e+05 6.322316311e+05 6.296243996e+05 6.296243996e+05 3.162432240e+06 3.162432240e+06 1.02 1.644723536e+06 1.644723536e+06 2.647675128e+06 2.647675128e+06 5.008896228e+05 5.008896228e+05 4.985809574e+05 4.985809574e+05 2.877028404e+06 2.877028404e+06 1.04 1.453746900e+06 1.453746900e+06 2.397543540e+06 2.397543540e+06 3.870880716e+05 3.870880716e+05 3.851421808e+05 3.851421808e+05 2.613528835e+06 2.613528835e+06 1.06 1.277289037e+06 1.277289037e+06 2.166308865e+06 2.166308865e+06 2.949132865e+05 2.949132865e+05 2.934488160e+05 2.934488160e+05 2.369910382e+06 2.369910382e+06 1.08 1.113998459e+06 1.113998459e+06 1.952268312e+06 1.952268312e+06 2.253716060e+05 2.253716060e+05 2.242737624e+05 2.242737624e+05 2.144345740e+06 2.144345740e+06 1.10 9.627253699e+05 9.627253699e+05 1.753819908e+06 1.753819908e+06 1.727247070e+05 1.727247070e+05 1.719073062e+05 1.719073062e+05 1.935222017e+06 1.935222017e+06 1.12 8.223983080e+05 8.223983080e+05 1.569609376e+06 1.569609376e+06 1.327347983e+05 1.327347983e+05 1.321291205e+05 1.321291205e+05 1.741084041e+06 1.741084041e+06 1.14 6.920335765e+05 6.920335765e+05 1.398419692e+06 1.398419692e+06 1.022678106e+05 1.022678106e+05 1.018131531e+05 1.018131531e+05 1.560634511e+06 1.560634511e+06 1.16 5.707863526e+05 5.707863526e+05 1.239119194e+06 1.239119194e+06 7.898453297e+04 7.898453297e+04 7.864154892e+04 7.864154892e+04 1.392694054e+06 1.392694054e+06 1.18 4.597310075e+05 4.597310075e+05 1.090719317e+06 1.090719317e+06 6.113773213e+04 6.113773213e+04 6.088155153e+04 6.088155153e+04 1.236232176e+06 1.236232176e+06 1.20 3.631231671e+05 3.631231671e+05 9.523342717e+05 9.523342717e+05 4.742421258e+04 4.742421258e+04 4.723526941e+04 4.723526941e+04 1.090318690e+06 1.090318690e+06 1.22 2.854760322e+05 2.854760322e+05 8.231314217e+05 8.231314217e+05 3.686125427e+04 3.686125427e+04 3.672281683e+04 3.672281683e+04 9.541114205e+05 9.541114205e+05 1.24 2.249153881e+05 2.249153881e+05 7.024014737e+05 7.024014737e+05 2.870673576e+04 2.870673576e+04 2.860399426e+04 2.860399426e+04 8.268367746e+05 8.268367746e+05 1.26 1.775542600e+05 1.775542600e+05 5.895033192e+05 5.895033192e+05 2.239811547e+04 2.239811547e+04 2.231999230e+04 2.231999230e+04 7.077871133e+05 7.077871133e+05 1.28 1.404293873e+05 1.404293873e+05 4.843029634e+05 4.843029634e+05 1.750744483e+04 1.750744483e+04 1.744631559e+04 1.744631559e+04 5.963175135e+05 5.963175135e+05 1.30 1.112643905e+05 1.112643905e+05 3.906487299e+05 3.906487299e+05 1.370689616e+04 1.370689616e+04 1.365843468e+04 1.365843468e+04 4.919609665e+05 4.919609665e+05 1.32 8.830357205e+04 8.830357205e+04 3.125073300e+05 3.125073300e+05 1.074727354e+04 1.074727354e+04 1.070877831e+04 1.070877831e+04 3.981069529e+05 3.981069529e+05 1.34 7.019186879e+04 7.019186879e+04 2.504244824e+05 2.504244824e+05 8.437296717e+03 8.437296717e+03 8.407427070e+03 8.407427070e+03 3.194905941e+05 3.194905941e+05 1.36 5.587532982e+04 5.587532982e+04 2.010073112e+05 2.010073112e+05 6.631834821e+03 6.631834821e+03 6.608963552e+03 6.608963552e+03 2.568253492e+05 2.568253492e+05 1.38 4.453839272e+04 4.453839272e+04 1.615895212e+05 1.615895212e+05 5.218674915e+03 5.218674915e+03 5.201355826e+03 5.201355826e+03 2.067731967e+05 2.067731967e+05 1.40 3.554325314e+04 3.554325314e+04 1.300815728e+05 1.300815728e+05 4.110804911e+03 4.110804911e+03 4.097955562e+03 4.097955562e+03 1.667238859e+05 1.667238859e+05 1.42 2.839631079e+04 2.839631079e+04 1.048564680e+05 1.048564680e+05 3.241279855e+03 3.241279855e+03 3.231936319e+03 3.231936319e+03 1.346216280e+05 1.346216280e+05 1.44 2.271021447e+04 2.271021447e+04 8.463010315e+04 8.463010315e+04 2.558021723e+03 2.558021723e+03 2.551367716e+03 2.551367716e+03 1.088413881e+05 1.088413881e+05 1.46 1.818087490e+04 1.818087490e+04 6.838879238e+04 6.838879238e+04 2.020608297e+03 2.020608297e+03 2.015951454e+03 2.015951454e+03 8.810677027e+04 8.810677027e+04 1.48 1.456881906e+04 1.456881906e+04 5.532926725e+04 5.532926725e+04 1.597528042e+03 1.597528042e+03 1.594206181e+03 1.594206181e+03 7.140729116e+04 7.140729116e+04 1.50 1.168511187e+04 1.168511187e+04 4.481142828e+04 4.481142828e+04 1.264150348e+03 1.264150348e+03 1.261714091e+03 1.261714091e+03 5.793962883e+04 5.793962883e+04 1.52 9.380018991e+03 9.380018991e+03 3.632794559e+04 3.632794559e+04 1.001180603e+03 1.001180603e+03 9.993733568e+02 9.993733568e+02 4.706220289e+04 4.706220289e+04 1.54 7.534504767e+03 7.534504767e+03 2.947756037e+04 2.947756037e+04 7.935910132e+02 7.935910132e+02 7.922327727e+02 7.922327727e+02 3.826326037e+04 3.826326037e+04 1.56 6.055691255e+03 6.055691255e+03 2.393939409e+04 2.393939409e+04 6.295640749e+02 6.295640749e+02 6.285214403e+02 6.285214403e+02 3.113709400e+04 3.113709400e+04 1.58 4.869631874e+03 4.869631874e+03 1.945660962e+04 1.945660962e+04 4.998119496e+02 4.998119496e+02 4.990163988e+02 4.990163988e+02 2.535892297e+04 2.535892297e+04 1.60 3.917486443e+03 3.917486443e+03 1.582475557e+04 1.582475557e+04 3.971156598e+02 3.971156598e+02 3.965120479e+02 3.965120479e+02 2.066835527e+04 2.066835527e+04 1.62 3.152694316e+03 3.152694316e+03 1.287975253e+04 1.287975253e+04 3.157896122e+02 3.157896122e+02 3.153288337e+02 3.153288337e+02 1.685632437e+04 1.685632437e+04 1.64 2.538054862e+03 2.538054862e+03 1.048949147e+04 1.048949147e+04 2.513508799e+02 2.513508799e+02 2.509958451e+02 2.509958451e+02 1.375560022e+04 1.375560022e+04 1.66 2.043797529e+03 2.043797529e+03 8.547069979e+03 8.547069979e+03 2.002565106e+02 2.002565106e+02 1.999807012e+02 1.999807012e+02 1.123136625e+04 1.123136625e+04 1.68 1.646182202e+03 1.646182202e+03 6.966593857e+03 6.966593857e+03 1.596945534e+02 1.596945534e+02 1.594842119e+02 1.594842119e+02 9.174695000e+03 9.174695000e+03 1.70 1.326198230e+03 1.326198230e+03 5.679880383e+03 5.679880383e+03 1.274737480e+02 1.274737480e+02 1.273174486e+02 1.273174486e+02 7.497721797e+03 7.497721797e+03 1.72 1.068526843e+03 1.068526843e+03 4.631877391e+03 4.631877391e+03 1.018630730e+02 1.018630730e+02 1.017501438e+02 1.017501438e+02 6.129327374e+03 6.129327374e+03 1.74 8.609390598e+02 8.609390598e+02 3.777919771e+03 3.777919771e+03 8.148938744e+01 8.148938744e+01 8.140851119e+01 8.140851119e+01 5.012079331e+03 5.012079331e+03 1.76 6.936768369e+02 6.936768369e+02 3.081730933e+03 3.081730933e+03 6.526278076e+01 6.526278076e+01 6.520702612e+01 6.520702612e+01 4.099392139e+03 4.099392139e+03 1.78 5.588918859e+02 5.588918859e+02 2.514002895e+03 2.514002895e+03 5.232644452e+01 5.232644452e+01 5.229007001e+01 5.229007001e+01 3.353467388e+03 3.353467388e+03 1.80 4.502429773e+02 4.502429773e+02 2.050925572e+03 2.050925572e+03 4.200115080e+01 4.200115080e+01 4.197912218e+01 4.197912218e+01 2.743639895e+03 2.743639895e+03 1.82 3.626258139e+02 3.626258139e+02 1.673136041e+03 1.673136041e+03 3.374810763e+01 3.374810763e+01 3.373413402e+01 3.373413402e+01 2.244931481e+03 2.244931481e+03 1.84 2.919744299e+02 2.919744299e+02 1.364878706e+03 1.364878706e+03 2.713996814e+01 2.713996814e+01 2.712807702e+01 2.712807702e+01 1.836874030e+03 1.836874030e+03 1.86 2.350092106e+02 2.350092106e+02 1.113326294e+03 1.113326294e+03 2.183783130e+01 2.183783130e+01 2.182474332e+01 2.182474332e+01 1.502859247e+03 1.502859247e+03 1.88 1.890833286e+02 1.890833286e+02 9.080290214e+02 9.080290214e+02 1.757296222e+01 1.757296222e+01 1.755716929e+01 1.755716929e+01 1.229428891e+03 1.229428891e+03 1.90 1.520422972e+02 1.520422972e+02 7.404030515e+02 7.404030515e+02 1.413121934e+01 1.413121934e+01 1.411278870e+01 1.411278870e+01 1.005562684e+03 1.005562684e+03 1.92 1.221633721e+02 1.221633721e+02 6.035054335e+02 6.035054335e+02 1.134404541e+01 1.134404541e+01 1.132363847e+01 1.132363847e+01 8.222657662e+02 8.222657662e+02 1.94 9.806789963e+01 9.806789963e+01 4.917189963e+02 4.917189963e+02 9.078547806e+00 9.078547806e+00 9.056794894e+00 9.056794894e+00 6.721876800e+02 6.721876800e+02 1.96 7.864080157e+01 7.864080157e+01 4.004531422e+02 4.004531422e+02 7.229265209e+00 7.229265209e+00 7.206735589e+00 7.206735589e+00 5.492998751e+02 5.492998751e+02 1.98 6.298040639e+01 6.298040639e+01 3.259555567e+02 3.259555567e+02 5.712537736e+00 5.712537736e+00 5.689725518e+00 5.689725518e+00 4.486837094e+02 4.486837094e+02 2.00 5.035753578e+01 5.035753578e+01 2.651563595e+02 2.651563595e+02 4.461980019e+00 4.461980019e+00 4.439299816e+00 4.439299816e+00 3.663184713e+02 3.663184713e+02 2.02 4.018046651e+01 4.018046651e+01 2.155262575e+02 2.155262575e+02 3.424605047e+00 3.424605047e+00 3.402495729e+00 3.402495729e+00 2.989080633e+02 2.989080633e+02 2.04 3.197451818e+01 3.197451818e+01 1.750217585e+02 1.750217585e+02 2.559030517e+00 2.559030517e+00 2.537807788e+00 2.537807788e+00 2.437501317e+02 2.437501317e+02 2.06 2.535714934e+01 2.535714934e+01 1.419776192e+02 1.419776192e+02 1.832542459e+00 1.832542459e+00 1.812373537e+00 1.812373537e+00 1.986289814e+02 1.986289814e+02 2.08 2.001935495e+01 2.001935495e+01 1.150302864e+02 1.150302864e+02 1.219117277e+00 1.219117277e+00 1.200070287e+00 1.200070287e+00 1.617218909e+02 1.617218909e+02 2.10 1.571169495e+01 1.571169495e+01 9.306344363e+01 9.306344363e+01 6.980500882e-01 6.980500882e-01 6.801288467e-01 6.801288467e-01 1.315336022e+02 1.315336022e+02 2.12 1.223295698e+01 1.223295698e+01 7.516339540e+01 7.516339540e+01 2.528595812e-01 2.528595812e-01 2.360279336e-01 2.360279336e-01 1.068422670e+02 1.068422670e+02 2.14 9.420957630e+00 9.420957630e+00 6.058250354e+01 6.058250354e+01 -1.295855264e-01 -1.295855264e-01 -1.453838909e-01 -1.453838909e-01 8.665207851e+01 8.665207851e+01 2.16 7.145080308e+00 7.145080308e+00 4.870921452e+01 4.870921452e+01 -4.597625217e-01 -4.597625217e-01 -4.745870394e-01 -4.745870394e-01 7.014905713e+01 7.014905713e+01 2.18 5.300223231e+00 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