# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2009--Kang-K-H-Sa-I-Lee-J-C-et-al--Cu-Ag # implementation = 2009--Kang-K-H--Cu-Ag--LAMMPS--ipr1 # composition = AgCu # 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 1.122416822e+03 1.122416822e+03 nan nan 0.74 nan nan nan nan 1.043054044e+03 1.043054044e+03 nan nan 0.76 nan nan nan nan 9.690825692e+02 9.690825692e+02 nan nan 0.78 nan nan nan nan 9.001472017e+02 9.001472017e+02 nan nan 0.80 nan nan nan nan 8.359155487e+02 8.359155487e+02 nan nan 0.82 nan nan nan nan 7.760765892e+02 7.760765892e+02 nan nan 0.84 1.092807805e+03 1.092807805e+03 nan nan 7.203393306e+02 7.203393306e+02 nan nan 0.86 1.014540725e+03 1.014540725e+03 nan nan 6.684315493e+02 6.684315493e+02 nan nan 0.88 9.416490112e+02 9.416490112e+02 nan nan 6.200986077e+02 6.200986077e+02 nan nan 0.90 8.737750068e+02 8.737750068e+02 nan nan 5.751023444e+02 5.751023444e+02 nan nan 0.92 8.105842204e+02 8.105842204e+02 1.211852212e+03 1.211852212e+03 5.332200338e+02 5.332200338e+02 nan nan 0.94 7.517638621e+02 7.517638621e+02 1.124579111e+03 1.124579111e+03 4.942434091e+02 4.942434091e+02 1.237874189e+03 1.237874189e+03 0.96 6.970214682e+02 6.970214682e+02 1.043338320e+03 1.043338320e+03 4.579777460e+02 4.579777460e+02 1.150269111e+03 1.150269111e+03 0.98 6.460836123e+02 6.460836123e+02 9.677258529e+02 9.677258529e+02 4.242410038e+02 4.242410038e+02 1.068625611e+03 1.068625611e+03 1.00 5.986946954e+02 5.986946954e+02 8.973640490e+02 8.973640490e+02 3.928630191e+02 3.928630191e+02 9.925499292e+02 9.925499292e+02 1.02 5.546158124e+02 5.546158124e+02 8.318999035e+02 8.318999035e+02 3.636847502e+02 3.636847502e+02 9.216736546e+02 9.216736546e+02 1.04 5.136236879e+02 5.136236879e+02 7.710034945e+02 7.710034945e+02 3.365575679e+02 3.365575679e+02 8.556521318e+02 8.556521318e+02 1.06 4.755096792e+02 4.755096792e+02 7.143665110e+02 7.143665110e+02 3.113425913e+02 3.113425913e+02 7.941629631e+02 7.941629631e+02 1.08 4.400788414e+02 4.400788414e+02 6.617008720e+02 6.617008720e+02 2.879100643e+02 2.879100643e+02 7.369046039e+02 7.369046039e+02 1.10 4.071490504e+02 4.071490504e+02 6.127374324e+02 6.127374324e+02 2.661387718e+02 2.661387718e+02 6.835950456e+02 6.835950456e+02 1.12 3.765501813e+02 3.765501813e+02 5.672247693e+02 5.672247693e+02 2.459154913e+02 2.459154913e+02 6.339705792e+02 6.339705792e+02 1.14 3.481233381e+02 3.481233381e+02 5.249280446e+02 5.249280446e+02 2.271344806e+02 2.271344806e+02 5.877846357e+02 5.877846357e+02 1.16 3.217201316e+02 3.217201316e+02 4.856279391e+02 4.856279391e+02 2.096969957e+02 2.096969957e+02 5.448066989e+02 5.448066989e+02 1.18 2.972020029e+02 2.972020029e+02 4.491196528e+02 4.491196528e+02 1.935108405e+02 1.935108405e+02 5.048212847e+02 5.048212847e+02 1.20 2.744395893e+02 2.744395893e+02 4.152119694e+02 4.152119694e+02 1.784899441e+02 1.784899441e+02 4.676269851e+02 4.676269851e+02 1.22 2.533121302e+02 2.533121302e+02 3.837263783e+02 3.837263783e+02 1.645539649e+02 1.645539649e+02 4.330355707e+02 4.330355707e+02 1.24 2.337069102e+02 2.337069102e+02 3.544962528e+02 3.544962528e+02 1.516279194e+02 1.516279194e+02 4.008711498e+02 4.008711498e+02 1.26 2.155187380e+02 2.155187380e+02 3.273660801e+02 3.273660801e+02 1.396418354e+02 1.396418354e+02 3.709693797e+02 3.709693797e+02 1.28 1.986494577e+02 1.986494577e+02 3.021907401e+02 3.021907401e+02 1.285304256e+02 1.285304256e+02 3.431767273e+02 3.431767273e+02 1.30 1.830074912e+02 1.830074912e+02 2.788348292e+02 2.788348292e+02 1.182327836e+02 1.182327836e+02 3.173497761e+02 3.173497761e+02 1.32 1.685074098e+02 1.685074098e+02 2.571720281e+02 2.571720281e+02 1.086920977e+02 1.086920977e+02 2.933545765e+02 2.933545765e+02 1.34 1.550695330e+02 1.550695330e+02 2.370845087e+02 2.370845087e+02 9.985538392e+01 9.985538392e+01 2.710660370e+02 2.710660370e+02 1.36 1.426195523e+02 1.426195523e+02 2.184623795e+02 2.184623795e+02 9.167323539e+01 9.167323539e+01 2.503673534e+02 2.503673534e+02 1.38 1.310881801e+02 1.310881801e+02 2.012031660e+02 2.012031660e+02 8.409958811e+01 8.409958811e+01 2.311494744e+02 2.311494744e+02 1.40 1.204108197e+02 1.204108197e+02 1.852113241e+02 1.852113241e+02 7.709150148e+01 7.709150148e+01 2.133106006e+02 2.133106006e+02 1.42 1.105272571e+02 1.105272571e+02 1.703977851e+02 1.703977851e+02 7.060895286e+01 7.060895286e+01 1.967557146e+02 1.967557146e+02 1.44 1.013813731e+02 1.013813731e+02 1.566795294e+02 1.566795294e+02 6.461464532e+01 6.461464532e+01 1.813961418e+02 1.813961418e+02 1.46 9.292087218e+01 9.292087218e+01 1.439791875e+02 1.439791875e+02 5.907382776e+01 5.907382776e+01 1.671491384e+02 1.671491384e+02 1.48 8.509703069e+01 8.509703069e+01 1.322246672e+02 1.322246672e+02 5.395412652e+01 5.395412652e+01 1.539375053e+02 1.539375053e+02 1.50 7.786445991e+01 7.786445991e+01 1.213488039e+02 1.213488039e+02 4.922538787e+01 4.922538787e+01 1.416892271e+02 1.416892271e+02 1.52 7.118088498e+01 7.118088498e+01 1.112890343e+02 1.112890343e+02 4.485953064e+01 4.485953064e+01 1.303371338e+02 1.303371338e+02 1.54 6.500693795e+01 6.500693795e+01 1.019870905e+02 1.019870905e+02 4.083040835e+01 4.083040835e+01 1.198185836e+02 1.198185836e+02 1.56 5.930596418e+01 5.930596418e+01 9.338871410e+01 9.338871410e+01 3.711368028e+01 3.711368028e+01 1.100751665e+02 1.100751665e+02 1.58 5.404384135e+01 5.404384135e+01 8.544338901e+01 8.544338901e+01 3.368669087e+01 3.368669087e+01 1.010524268e+02 1.010524268e+02 1.60 4.918881014e+01 4.918881014e+01 7.810409130e+01 7.810409130e+01 3.052835697e+01 3.052835697e+01 9.269960299e+01 9.269960299e+01 1.62 4.471131594e+01 4.471131594e+01 7.132705542e+01 7.132705542e+01 2.761906240e+01 2.761906240e+01 8.496938432e+01 8.496938432e+01 1.64 4.058386090e+01 4.058386090e+01 6.507155562e+01 6.507155562e+01 2.494055940e+01 2.494055940e+01 7.781768346e+01 7.781768346e+01 1.66 3.678086552e+01 3.678086552e+01 5.929970165e+01 5.929970165e+01 2.247587644e+01 2.247587644e+01 7.120342323e+01 7.120342323e+01 1.68 3.327853942e+01 3.327853942e+01 5.397624774e+01 5.397624774e+01 2.020923216e+01 2.020923216e+01 6.508833733e+01 6.508833733e+01 1.70 3.005476045e+01 3.005476045e+01 4.906841410e+01 4.906841410e+01 1.812595486e+01 1.812595486e+01 5.943678387e+01 5.943678387e+01 1.72 2.708896178e+01 2.708896178e+01 4.454572016e+01 4.454572016e+01 1.621240729e+01 1.621240729e+01 5.421557087e+01 5.421557087e+01 1.74 2.436202641e+01 2.436202641e+01 4.037982871e+01 4.037982871e+01 1.445591642e+01 1.445591642e+01 4.939379316e+01 4.939379316e+01 1.76 2.185618857e+01 2.185618857e+01 3.654440029e+01 3.654440029e+01 1.284470778e+01 1.284470778e+01 4.494267971e+01 4.494267971e+01 1.78 1.955494168e+01 1.955494168e+01 3.301495719e+01 3.301495719e+01 1.136784415e+01 1.136784415e+01 4.083545099e+01 4.083545099e+01 1.80 1.744295235e+01 1.744295235e+01 2.976875646e+01 2.976875646e+01 1.001516832e+01 1.001516832e+01 3.704718550e+01 3.704718550e+01 1.82 1.550598007e+01 1.550598007e+01 2.678467125e+01 2.678467125e+01 8.777249614e+00 8.777249614e+00 3.355469509e+01 3.355469509e+01 1.84 1.373080227e+01 1.373080227e+01 2.404308010e+01 2.404308010e+01 7.645333985e+00 7.645333985e+00 3.033640829e+01 3.033640829e+01 1.86 1.210514429e+01 1.210514429e+01 2.152576348e+01 2.152576348e+01 6.611297392e+00 6.611297392e+00 2.737226139e+01 2.737226139e+01 1.88 1.061761403e+01 1.061761403e+01 1.921580729e+01 1.921580729e+01 5.667602319e+00 5.667602319e+00 2.464359655e+01 2.464359655e+01 1.90 9.257641020e+00 9.257641020e+00 1.709751279e+01 1.709751279e+01 4.807257175e+00 4.807257175e+00 2.213306664e+01 2.213306664e+01 1.92 8.015419471e+00 8.015419471e+00 1.515631251e+01 1.515631251e+01 4.023778416e+00 4.023778416e+00 1.982454634e+01 1.982454634e+01 1.94 6.881855195e+00 6.881855195e+00 1.337869180e+01 1.337869180e+01 3.311155205e+00 3.311155205e+00 1.770304904e+01 1.770304904e+01 1.96 5.848516073e+00 5.848516073e+00 1.175211567e+01 1.175211567e+01 2.663816443e+00 2.663816443e+00 1.575464927e+01 1.575464927e+01 1.98 4.907585849e+00 4.907585849e+00 1.026496048e+01 1.026496048e+01 2.076600019e+00 2.076600019e+00 1.396641023e+01 1.396641023e+01 2.00 4.051821044e+00 4.051821044e+00 8.906450342e+00 8.906450342e+00 1.544724135e+00 1.544724135e+00 1.232631612e+01 1.232631612e+01 2.02 3.274510775e+00 3.274510775e+00 7.666597689e+00 7.666597689e+00 1.063760572e+00 1.063760572e+00 1.082320897e+01 1.082320897e+01 2.04 2.569439297e+00 2.569439297e+00 6.536147959e+00 6.536147959e+00 6.296097587e-01 6.296097587e-01 9.446729637e+00 9.446729637e+00 2.06 1.930851080e+00 1.930851080e+00 5.506527981e+00 5.506527981e+00 2.384775448e-01 2.384775448e-01 8.187262762e+00 8.187262762e+00 2.08 1.353418270e+00 1.353418270e+00 4.569797885e+00 4.569797885e+00 -1.131464565e-01 -1.131464565e-01 7.035885386e+00 7.035885386e+00 2.10 8.322103536e-01 8.322103536e-01 3.718606279e+00 3.718606279e+00 -4.285090414e-01 -4.285090414e-01 5.984318998e+00 5.984318998e+00 2.12 3.626659066e-01 3.626659066e-01 2.946148490e+00 2.946148490e+00 -7.106122122e-01 -7.106122122e-01 5.024884799e+00 5.024884799e+00 2.14 -5.943373076e-02 -5.943373076e-02 2.246127664e+00 2.246127664e+00 -9.622306847e-01 -9.622306847e-01 4.150461969e+00 4.150461969e+00 2.16 -4.379889703e-01 -4.379889703e-01 1.612718524e+00 1.612718524e+00 -1.185928193e+00 -1.185928193e+00 3.354448736e+00 3.354448736e+00 2.18 -7.766048060e-01 -7.766048060e-01 1.040533628e+00 1.040533628e+00 -1.384072674e+00 -1.384072674e+00 2.630726076e+00 2.630726076e+00 2.20 -1.078612071e+00 -1.078612071e+00 5.245919460e-01 5.245919460e-01 -1.558850395e+00 -1.558850395e+00 1.973623863e+00 1.973623863e+00 2.22 -1.347087223e+00 -1.347087223e+00 6.028961044e-02 6.028961044e-02 -1.712279119e+00 -1.712279119e+00 1.377889307e+00 1.377889307e+00 2.24 -1.584870765e+00 -1.584870765e+00 -3.566273104e-01 -3.566273104e-01 -1.846220337e+00 -1.846220337e+00 8.386575372e-01 8.386575372e-01 2.26 -1.794584376e+00 -1.794584376e+00 -7.300881489e-01 -7.300881489e-01 -1.962390668e+00 -1.962390668e+00 3.514241852e-01 3.514241852e-01 2.28 -1.978646860e+00 -1.978646860e+00 -1.063721212e+00 -1.063721212e+00 -2.062372449e+00 -2.062372449e+00 -8.798016583e-02 -8.798016583e-02 2.30 -2.139288974e+00 -2.139288974e+00 -1.360875711e+00 -1.360875711e+00 -2.147623594e+00 -2.147623594e+00 -4.834137837e-01 -4.834137837e-01 2.32 -2.278567221e+00 -2.278567221e+00 -1.624642157e+00 -1.624642157e+00 -2.219486755e+00 -2.219486755e+00 -8.384459607e-01 -8.384459607e-01 2.34 -2.398376673e+00 -2.398376673e+00 -1.857871324e+00 -1.857871324e+00 -2.279197844e+00 -2.279197844e+00 -1.156377666e+00 -1.156377666e+00 2.36 -2.500462892e+00 -2.500462892e+00 -2.063191886e+00 -2.063191886e+00 -2.327893950e+00 -2.327893950e+00 -1.440260779e+00 -1.440260779e+00 2.38 -2.586433013e+00 -2.586433013e+00 -2.243026804e+00 -2.243026804e+00 -2.366620698e+00 -2.366620698e+00 -1.692915990e+00 -1.692915990e+00 2.40 -2.657766034e+00 -2.657766034e+00 -2.399608555e+00 -2.399608555e+00 -2.396339086e+00 -2.396339086e+00 -1.916949473e+00 -1.916949473e+00 2.42 -2.715822389e+00 -2.715822389e+00 -2.534993287e+00 -2.534993287e+00 -2.417931834e+00 -2.417931834e+00 -2.114768393e+00 -2.114768393e+00 2.44 -2.761852823e+00 -2.761852823e+00 -2.651073961e+00 -2.651073961e+00 -2.432209281e+00 -2.432209281e+00 -2.288595346e+00 -2.288595346e+00 2.46 -2.797006648e+00 -2.797006648e+00 -2.749592561e+00 -2.749592561e+00 -2.439914860e+00 -2.439914860e+00 -2.440481781e+00 -2.440481781e+00 2.48 -2.822339400e+00 -2.822339400e+00 -2.832151429e+00 -2.832151429e+00 -2.441730178e+00 -2.441730178e+00 -2.572320499e+00 -2.572320499e+00 2.50 -2.838819946e+00 -2.838819946e+00 -2.900223789e+00 -2.900223789e+00 -2.438279736e+00 -2.438279736e+00 -2.685857265e+00 -2.685857265e+00 2.52 -2.847337083e+00 -2.847337083e+00 -2.955163509e+00 -2.955163509e+00 -2.430135298e+00 -2.430135298e+00 -2.782701611e+00 -2.782701611e+00 2.54 -2.848705658e+00 -2.848705658e+00 -2.998214167e+00 -2.998214167e+00 -2.417819952e+00 -2.417819952e+00 -2.864336877e+00 -2.864336877e+00 2.56 -2.843672242e+00 -2.843672242e+00 -3.030517457e+00 -3.030517457e+00 -2.401811869e+00 -2.401811869e+00 -2.932129543e+00 -2.932129543e+00 2.58 -2.832920393e+00 -2.832920393e+00 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