# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au # implementation = 2004--Zhou-X-W--Cu-Ag-Au--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 nan nan nan nan 0.74 nan nan nan nan nan nan nan nan 0.76 nan nan nan nan nan nan nan nan 0.78 nan nan nan nan nan nan nan nan 0.80 nan nan nan nan nan nan nan nan 0.82 nan nan nan nan nan nan nan nan 0.84 nan nan nan nan nan nan nan nan 0.86 nan nan nan nan 4.006574501e+02 4.006574501e+02 nan nan 0.88 nan nan nan nan 3.641439914e+02 3.641439914e+02 nan nan 0.90 nan nan nan nan 3.312774287e+02 3.312774287e+02 nan nan 0.92 nan nan nan nan 3.016486864e+02 3.016486864e+02 nan nan 0.94 nan nan nan nan 2.749006119e+02 2.749006119e+02 nan nan 0.96 nan nan nan nan 2.507233467e+02 2.507233467e+02 nan nan 0.98 nan nan nan nan 2.288464842e+02 2.288464842e+02 nan nan 1.00 3.614460277e+02 3.614460277e+02 nan nan 2.090300754e+02 2.090300754e+02 nan nan 1.02 3.310948351e+02 3.310948351e+02 nan nan 1.910563087e+02 1.910563087e+02 nan nan 1.04 3.034414415e+02 3.034414415e+02 nan nan 1.747269760e+02 1.747269760e+02 nan nan 1.06 2.782252087e+02 2.782252087e+02 nan nan 1.598676266e+02 1.598676266e+02 nan nan 1.08 2.552113249e+02 2.552113249e+02 nan nan 1.463297693e+02 1.463297693e+02 nan nan 1.10 2.341884370e+02 2.341884370e+02 3.391049838e+02 3.391049838e+02 1.339865670e+02 1.339865670e+02 3.666065194e+02 3.666065194e+02 1.12 2.149687871e+02 2.149687871e+02 3.123733818e+02 3.123733818e+02 1.227265314e+02 1.227265314e+02 3.380948474e+02 3.380948474e+02 1.14 1.973865864e+02 1.973865864e+02 2.878445597e+02 2.878445597e+02 1.124489635e+02 1.124489635e+02 3.119055796e+02 3.119055796e+02 1.16 1.812934805e+02 1.812934805e+02 2.653219509e+02 2.653219509e+02 1.030621232e+02 1.030621232e+02 2.878308245e+02 2.878308245e+02 1.18 1.665535525e+02 1.665535525e+02 2.446247810e+02 2.446247810e+02 9.448274247e+01 9.448274247e+01 2.656850083e+02 2.656850083e+02 1.20 1.530399718e+02 1.530399718e+02 2.255885107e+02 2.255885107e+02 8.663485002e+01 8.663485002e+01 2.453004432e+02 2.453004432e+02 1.22 1.406362795e+02 1.406362795e+02 2.080653021e+02 2.080653021e+02 7.944889582e+01 7.944889582e+01 2.265253916e+02 2.265253916e+02 1.24 1.292389515e+02 1.292389515e+02 1.919231188e+02 1.919231188e+02 7.286154073e+01 7.286154073e+01 2.092227367e+02 2.092227367e+02 1.26 1.187584208e+02 1.187584208e+02 1.770451175e+02 1.770451175e+02 6.681685147e+01 6.681685147e+01 1.932682684e+02 1.932682684e+02 1.28 1.091172153e+02 1.091172153e+02 1.633271856e+02 1.633271856e+02 6.126654005e+01 6.126654005e+01 1.785491340e+02 1.785491340e+02 1.30 1.002467469e+02 1.002467469e+02 1.506743989e+02 1.506743989e+02 5.616836934e+01 5.616836934e+01 1.649625925e+02 1.649625925e+02 1.32 9.208483798e+01 9.208483798e+01 1.389990241e+02 1.389990241e+02 5.148423026e+01 5.148423026e+01 1.524151082e+02 1.524151082e+02 1.34 8.457386743e+01 8.457386743e+01 1.282204005e+02 1.282204005e+02 4.717898227e+01 4.717898227e+01 1.408207397e+02 1.408207397e+02 1.36 7.766008956e+01 7.766008956e+01 1.182654679e+02 1.182654679e+02 4.322014127e+01 4.322014127e+01 1.301007229e+02 1.301007229e+02 1.38 7.129351506e+01 7.129351506e+01 1.090682696e+02 1.090682696e+02 3.957787457e+01 3.957787457e+01 1.201836793e+02 1.201836793e+02 1.40 6.542789716e+01 6.542789716e+01 1.005689184e+02 1.005689184e+02 3.622508483e+01 3.622508483e+01 1.110054684e+02 1.110054684e+02 1.42 6.002094106e+01 6.002094106e+01 9.271284522e+01 9.271284522e+01 3.313752391e+01 3.313752391e+01 1.025085157e+02 1.025085157e+02 1.44 5.503452931e+01 5.503452931e+01 8.544979497e+01 8.544979497e+01 3.029379319e+01 3.029379319e+01 9.464055464e+01 9.464055464e+01 1.46 5.043464026e+01 5.043464026e+01 7.873279262e+01 7.873279262e+01 2.767674900e+01 2.767674900e+01 8.735345624e+01 8.735345624e+01 1.48 4.619095415e+01 4.619095415e+01 7.251803254e+01 7.251803254e+01 2.526806572e+01 2.526806572e+01 8.060290737e+01 8.060290737e+01 1.50 4.227570740e+01 4.227570740e+01 6.676508192e+01 6.676508192e+01 2.305011089e+01 2.305011089e+01 7.434797221e+01 7.434797221e+01 1.52 3.866316031e+01 3.866316031e+01 6.143725389e+01 6.143725389e+01 2.100671397e+01 2.100671397e+01 6.855098272e+01 6.855098272e+01 1.54 3.532941665e+01 3.532941665e+01 5.650168041e+01 5.650168041e+01 1.912319845e+01 1.912319845e+01 6.317743472e+01 6.317743472e+01 1.56 3.225235226e+01 3.225235226e+01 5.192859846e+01 5.192859846e+01 1.738611163e+01 1.738611163e+01 5.819583760e+01 5.819583760e+01 1.58 2.941152610e+01 2.941152610e+01 4.769063934e+01 4.769063934e+01 1.578296884e+01 1.578296884e+01 5.357734296e+01 5.357734296e+01 1.60 2.678813419e+01 2.678813419e+01 4.376270449e+01 4.376270449e+01 1.430240478e+01 1.430240478e+01 4.929538150e+01 4.929538150e+01 1.62 2.436496866e+01 2.436496866e+01 4.012192440e+01 4.012192440e+01 1.293434663e+01 1.293434663e+01 4.532500661e+01 4.532500661e+01 1.64 2.212648048e+01 2.212648048e+01 3.674766664e+01 3.674766664e+01 1.167012565e+01 1.167012565e+01 4.164268090e+01 4.164268090e+01 1.66 2.006044408e+01 2.006044408e+01 3.362112102e+01 3.362112102e+01 1.050222635e+01 1.050222635e+01 3.822622897e+01 3.822622897e+01 1.68 1.815465501e+01 1.815465501e+01 3.072481826e+01 3.072481826e+01 9.423964013e+00 9.423964013e+00 3.505507070e+01 3.505507070e+01 1.70 1.639696407e+01 1.639696407e+01 2.804230806e+01 2.804230806e+01 8.429233726e+00 8.429233726e+00 3.211049346e+01 3.211049346e+01 1.72 1.477624966e+01 1.477624966e+01 2.555792622e+01 2.555792622e+01 7.512304042e+00 7.512304042e+00 2.937562694e+01 2.937562694e+01 1.74 1.328234135e+01 1.328234135e+01 2.325678415e+01 2.325678415e+01 6.667679250e+00 6.667679250e+00 2.683535288e+01 2.683535288e+01 1.76 1.190577511e+01 1.190577511e+01 2.112483670e+01 2.112483670e+01 5.889958634e+00 5.889958634e+00 2.447599640e+01 2.447599640e+01 1.78 1.063761648e+01 1.063761648e+01 1.914904804e+01 1.914904804e+01 5.173837330e+00 5.173837330e+00 2.228513784e+01 2.228513784e+01 1.80 9.469314660e+00 9.469314660e+00 1.731882788e+01 1.731882788e+01 4.514185182e+00 4.514185182e+00 2.025130591e+01 2.025130591e+01 1.82 8.392760133e+00 8.392760133e+00 1.562478008e+01 1.562478008e+01 3.906267668e+00 3.906267668e+00 1.836404095e+01 1.836404095e+01 1.84 7.400453797e+00 7.400453797e+00 1.405699733e+01 1.405699733e+01 3.345849036e+00 3.345849036e+00 1.661527508e+01 1.661527508e+01 1.86 6.485738183e+00 6.485738183e+00 1.260656580e+01 1.260656580e+01 2.829228791e+00 2.829228791e+00 1.499601122e+01 1.499601122e+01 1.88 5.642846298e+00 5.642846298e+00 1.126532140e+01 1.126532140e+01 2.353126927e+00 2.353126927e+00 1.349731520e+01 1.349731520e+01 1.90 4.866820199e+00 4.866820199e+00 1.002567808e+01 1.002567808e+01 1.914584966e+00 1.914584966e+00 1.211075484e+01 1.211075484e+01 1.92 4.153271703e+00 4.153271703e+00 8.880477326e+00 8.880477326e+00 1.510867031e+00 1.510867031e+00 1.082833577e+01 1.082833577e+01 1.94 3.498113710e+00 3.498113710e+00 7.822947466e+00 7.822947466e+00 1.139434504e+00 1.139434504e+00 9.642498692e+00 9.642498692e+00 1.96 2.897339021e+00 2.897339021e+00 6.846692892e+00 6.846692892e+00 7.979345536e-01 7.979345536e-01 8.546173511e+00 8.546173511e+00 1.98 2.346924545e+00 2.346924545e+00 5.945753510e+00 5.945753510e+00 4.842221881e-01 4.842221881e-01 7.532841035e+00 7.532841035e+00 2.00 1.842840235e+00 1.842840235e+00 5.114637946e+00 5.114637946e+00 1.963543638e-01 1.963543638e-01 6.596510435e+00 6.596510435e+00 2.02 1.381144718e+00 1.381144718e+00 4.348348747e+00 4.348348747e+00 -6.741920255e-02 -6.741920255e-02 5.731683658e+00 5.731683658e+00 2.04 9.581300304e-01 9.581300304e-01 3.642363872e+00 3.642363872e+00 -3.086851833e-01 -3.086851833e-01 4.933286186e+00 4.933286186e+00 2.06 5.704447657e-01 5.704447657e-01 2.992581548e+00 2.992581548e+00 -5.289062308e-01 -5.289062308e-01 4.196609928e+00 4.196609928e+00 2.08 2.151356408e-01 2.151356408e-01 2.395221718e+00 2.395221718e+00 -7.295106852e-01 -7.295106852e-01 3.517279112e+00 3.517279112e+00 2.10 -1.103318465e-01 -1.103318465e-01 1.846770718e+00 1.846770718e+00 -9.123003911e-01 -9.123003911e-01 2.891240137e+00 2.891240137e+00 2.12 -4.081496198e-01 -4.081496198e-01 1.343906740e+00 1.343906740e+00 -1.078199034e+00 -1.078199034e+00 2.314724185e+00 2.314724185e+00 2.14 -6.802384582e-01 -6.802384582e-01 8.834855846e-01 8.834855846e-01 -1.227956015e+00 -1.227956015e+00 1.784230727e+00 1.784230727e+00 2.16 -9.283491680e-01 -9.283491680e-01 4.625039791e-01 4.625039791e-01 -1.362406879e+00 -1.362406879e+00 1.296482538e+00 1.296482538e+00 2.18 -1.154149822e+00 -1.154149822e+00 7.809804177e-02 7.809804177e-02 -1.482425840e+00 -1.482425840e+00 8.483936796e-01 8.483936796e-01 2.20 -1.359254943e+00 -1.359254943e+00 -2.724307471e-01 -2.724307471e-01 -1.588905641e+00 -1.588905641e+00 4.370878519e-01 4.370878519e-01 2.22 -1.545272375e+00 -1.545272375e+00 -5.916485048e-01 -5.916485048e-01 -1.682931725e+00 -1.682931725e+00 5.987402939e-02 5.987402939e-02 2.24 -1.713755307e+00 -1.713755307e+00 -8.819513203e-01 -8.819513203e-01 -1.765103322e+00 -1.765103322e+00 -2.857193113e-01 -2.857193113e-01 2.26 -1.866180362e+00 -1.866180362e+00 -1.145602583e+00 -1.145602583e+00 -1.835990143e+00 -1.835990143e+00 -6.019706476e-01 -6.019706476e-01 2.28 -2.003863752e+00 -2.003863752e+00 -1.384705229e+00 -1.384705229e+00 -1.896220040e+00 -1.896220040e+00 -8.909444960e-01 -8.909444960e-01 2.30 -2.127952257e+00 -2.127952257e+00 -1.601253437e+00 -1.601253437e+00 -1.946482156e+00 -1.946482156e+00 -1.154542703e+00 -1.154542703e+00 2.32 -2.239394994e+00 -2.239394994e+00 -1.797111397e+00 -1.797111397e+00 -1.987516014e+00 -1.987516014e+00 -1.394491025e+00 -1.394491025e+00 2.34 -2.339334660e+00 -2.339334660e+00 -1.974027135e+00 -1.974027135e+00 -2.020093910e+00 -2.020093910e+00 -1.612385366e+00 -1.612385366e+00 2.36 -2.428476726e+00 -2.428476726e+00 -2.133596589e+00 -2.133596589e+00 -2.044998437e+00 -2.044998437e+00 -1.809695617e+00 -1.809695617e+00 2.38 -2.506934564e+00 -2.506934564e+00 -2.277247896e+00 -2.277247896e+00 -2.062974247e+00 -2.062974247e+00 -1.987787009e+00 -1.987787009e+00 2.40 -2.574936083e+00 -2.574936083e+00 -2.406226432e+00 -2.406226432e+00 -2.074675164e+00 -2.074675164e+00 -2.147939726e+00 -2.147939726e+00 2.42 -2.632820894e+00 -2.632820894e+00 -2.521611776e+00 -2.521611776e+00 -2.080653238e+00 -2.080653238e+00 -2.291367309e+00 -2.291367309e+00 2.44 -2.681018895e+00 -2.681018895e+00 -2.624342150e+00 -2.624342150e+00 -2.081361403e+00 -2.081361403e+00 -2.419247721e+00 -2.419247721e+00 2.46 -2.720045306e+00 -2.720045306e+00 -2.715256290e+00 -2.715256290e+00 -2.077175493e+00 -2.077175493e+00 -2.532737203e+00 -2.532737203e+00 2.48 -2.750684733e+00 -2.750684733e+00 -2.795129142e+00 -2.795129142e+00 -2.068414777e+00 -2.068414777e+00 -2.632982800e+00 -2.632982800e+00 2.50 -2.773457152e+00 -2.773457152e+00 -2.864699644e+00 -2.864699644e+00 -2.055363936e+00 -2.055363936e+00 -2.721129960e+00 -2.721129960e+00 2.52 -2.788808132e+00 -2.788808132e+00 -2.924808720e+00 -2.924808720e+00 -2.038288910e+00 -2.038288910e+00 -2.798289528e+00 -2.798289528e+00 2.54 -2.797248480e+00 -2.797248480e+00 -2.976530437e+00 -2.976530437e+00 -2.017454472e+00 -2.017454472e+00 -2.865529298e+00 -2.865529298e+00 2.56 -2.799316163e+00 -2.799316163e+00 -3.020110309e+00 -3.020110309e+00 -1.993134410e+00 -1.993134410e+00 -2.924039353e+00 -2.924039353e+00 2.58 -2.795561241e+00 -2.795561241e+00 -3.055786115e+00 -3.055786115e+00 -1.965621504e+00 -1.965621504e+00 -2.974931000e+00 -2.974931000e+00 2.60 -2.786517249e+00 -2.786517249e+00 -3.083874116e+00 -3.083874116e+00 -1.935239885e+00 -1.935239885e+00 -3.018527131e+00 -3.018527131e+00 2.62 -2.772685068e+00 -2.772685068e+00 -3.104746212e+00 -3.104746212e+00 -1.902337847e+00 -1.902337847e+00 -3.055105362e+00 -3.055105362e+00 2.64 -2.754527724e+00 -2.754527724e+00 -3.118830163e+00 -3.118830163e+00 -1.867293355e+00 -1.867293355e+00 -3.084930330e+00 -3.084930330e+00 2.66 -2.732457451e+00 -2.732457451e+00 -3.126625264e+00 -3.126625264e+00 -1.830506755e+00 -1.830506755e+00 -3.108248972e+00 -3.108248972e+00 2.68 -2.706816937e+00 -2.706816937e+00 -3.128814660e+00 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