# 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--ipr2 # 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 4.006612392e+02 4.006612392e+02 nan nan 0.88 nan nan nan nan 3.641474453e+02 3.641474453e+02 nan nan 0.90 nan nan nan nan 3.312806154e+02 3.312806154e+02 nan nan 0.92 nan nan nan nan 3.016515936e+02 3.016515936e+02 nan nan 0.94 nan nan nan nan 2.749033203e+02 2.749033203e+02 nan nan 0.96 nan nan nan nan 2.507257759e+02 2.507257759e+02 nan nan 0.98 nan nan nan nan 2.288486931e+02 2.288486931e+02 nan nan 1.00 3.614496914e+02 3.614496914e+02 nan nan 2.090320637e+02 2.090320637e+02 nan nan 1.02 3.310982143e+02 3.310982143e+02 nan nan 1.910580917e+02 1.910580917e+02 nan nan 1.04 3.034445921e+02 3.034445921e+02 nan nan 1.747286292e+02 1.747286292e+02 nan nan 1.06 2.782280994e+02 2.782280994e+02 nan nan 1.598691374e+02 1.598691374e+02 nan nan 1.08 2.552139815e+02 2.552139815e+02 nan nan 1.463311098e+02 1.463311098e+02 nan nan 1.10 2.341909115e+02 2.341909115e+02 3.391085098e+02 3.391085098e+02 1.339877969e+02 1.339877969e+02 3.666103521e+02 3.666103521e+02 1.12 2.149710637e+02 2.149710637e+02 3.123766602e+02 3.123766602e+02 1.227276357e+02 1.227276357e+02 3.380983912e+02 3.380983912e+02 1.14 1.973886627e+02 1.973886627e+02 2.878476477e+02 2.878476477e+02 1.124499488e+02 1.124499488e+02 3.119088705e+02 3.119088705e+02 1.16 1.812954536e+02 1.812954536e+02 2.653248949e+02 2.653248949e+02 1.030630416e+02 1.030630416e+02 2.878339440e+02 2.878339440e+02 1.18 1.665553677e+02 1.665553677e+02 2.446275119e+02 2.446275119e+02 9.448355976e+01 9.448355976e+01 2.656879147e+02 2.656879147e+02 1.20 1.530416450e+02 1.530416450e+02 2.255910408e+02 2.255910408e+02 8.663558091e+01 8.663558091e+01 2.453031706e+02 2.453031706e+02 1.22 1.406378060e+02 1.406378060e+02 2.080676155e+02 2.080676155e+02 7.944952448e+01 7.944952448e+01 2.265279162e+02 2.265279162e+02 1.24 1.292403556e+02 1.292403556e+02 1.919252892e+02 1.919252892e+02 7.286209390e+01 7.286209390e+01 2.092250557e+02 2.092250557e+02 1.26 1.187597191e+02 1.187597191e+02 1.770471379e+02 1.770471379e+02 6.681733904e+01 6.681733904e+01 1.932704369e+02 1.932704369e+02 1.28 1.091183822e+02 1.091183822e+02 1.633290346e+02 1.633290346e+02 6.126694821e+01 6.126694821e+01 1.785511387e+02 1.785511387e+02 1.30 1.002478222e+02 1.002478222e+02 1.506761164e+02 1.506761164e+02 5.616871186e+01 5.616871186e+01 1.649644826e+02 1.649644826e+02 1.32 9.208581283e+01 9.208581283e+01 1.390006032e+02 1.390006032e+02 5.148451350e+01 5.148451350e+01 1.524168455e+02 1.524168455e+02 1.34 8.457474382e+01 8.457474382e+01 1.282218607e+02 1.282218607e+02 4.717920792e+01 4.717920792e+01 1.408223292e+02 1.408223292e+02 1.36 7.766087605e+01 7.766087605e+01 1.182668173e+02 1.182668173e+02 4.322030969e+01 4.322030969e+01 1.301021967e+02 1.301021967e+02 1.38 7.129420706e+01 7.129420706e+01 1.090694884e+02 1.090694884e+02 3.957798017e+01 3.957798017e+01 1.201850324e+02 1.201850324e+02 1.40 6.542851791e+01 6.542851791e+01 1.005700422e+02 1.005700422e+02 3.622514757e+01 3.622514757e+01 1.110067205e+02 1.110067205e+02 1.42 6.002149974e+01 6.002149974e+01 9.271388601e+01 9.271388601e+01 3.313754959e+01 3.313754959e+01 1.025096765e+02 1.025096765e+02 1.44 5.503499672e+01 5.503499672e+01 8.545071768e+01 8.545071768e+01 3.029378106e+01 3.029378106e+01 9.464160199e+01 9.464160199e+01 1.46 5.043506083e+01 5.043506083e+01 7.873364891e+01 7.873364891e+01 2.767674151e+01 2.767674151e+01 8.735443139e+01 8.735443139e+01 1.48 4.619131028e+01 4.619131028e+01 7.251882367e+01 7.251882367e+01 2.526806198e+01 2.526806198e+01 8.060379382e+01 8.060379382e+01 1.50 4.227600543e+01 4.227600543e+01 6.676578426e+01 6.676578426e+01 2.305010288e+01 2.305010288e+01 7.434877134e+01 7.434877134e+01 1.52 3.866341070e+01 3.866341070e+01 6.143788836e+01 6.143788836e+01 2.100670742e+01 2.100670742e+01 6.855171534e+01 6.855171534e+01 1.54 3.532962036e+01 3.532962036e+01 5.650225530e+01 5.650225530e+01 1.912319780e+01 1.912319780e+01 6.317810713e+01 6.317810713e+01 1.56 3.225250520e+01 3.225250520e+01 5.192910251e+01 5.192910251e+01 1.738610468e+01 1.738610468e+01 5.819643105e+01 5.819643105e+01 1.58 2.941163768e+01 2.941163768e+01 4.769109261e+01 4.769109261e+01 1.578296569e+01 1.578296569e+01 5.357787472e+01 5.357787472e+01 1.60 2.678819917e+01 2.678819917e+01 4.376309671e+01 4.376309671e+01 1.430239856e+01 1.430239856e+01 4.929584474e+01 4.929584474e+01 1.62 2.436500008e+01 2.436500008e+01 4.012226766e+01 4.012226766e+01 1.293434423e+01 1.293434423e+01 4.532542145e+01 4.532542145e+01 1.64 2.212647621e+01 2.212647621e+01 3.674795607e+01 3.674795607e+01 1.167012178e+01 1.167012178e+01 4.164304238e+01 4.164304238e+01 1.66 2.006043270e+01 2.006043270e+01 3.362135524e+01 3.362135524e+01 1.050221958e+01 1.050221958e+01 3.822653055e+01 3.822653055e+01 1.68 1.815465093e+01 1.815465093e+01 3.072501343e+01 3.072501343e+01 9.423960031e+00 9.423960031e+00 3.505532737e+01 3.505532737e+01 1.70 1.639695822e+01 1.639695822e+01 2.804246298e+01 2.804246298e+01 8.429230183e+00 8.429230183e+00 3.211070360e+01 3.211070360e+01 1.72 1.477624420e+01 1.477624420e+01 2.555803879e+01 2.555803879e+01 7.512301272e+00 7.512301272e+00 2.937579810e+01 2.937579810e+01 1.74 1.328233264e+01 1.328233264e+01 2.325685145e+01 2.325685145e+01 6.667673370e+00 6.667673370e+00 2.683547574e+01 2.683547574e+01 1.76 1.190576819e+01 1.190576819e+01 2.112486881e+01 2.112486881e+01 5.889955174e+00 5.889955174e+00 2.447608432e+01 2.447608432e+01 1.78 1.063761133e+01 1.063761133e+01 1.914904385e+01 1.914904385e+01 5.173833727e+00 5.173833727e+00 2.228519100e+01 2.228519100e+01 1.80 9.469312535e+00 9.469312535e+00 1.731882307e+01 1.731882307e+01 4.514183866e+00 4.514183866e+00 2.025132621e+01 2.025132621e+01 1.82 8.392755247e+00 8.392755247e+00 1.562477237e+01 1.562477237e+01 3.906264812e+00 3.906264812e+00 1.836403532e+01 1.836403532e+01 1.84 7.400451467e+00 7.400451467e+00 1.405699128e+01 1.405699128e+01 3.345847619e+00 3.345847619e+00 1.661526909e+01 1.661526909e+01 1.86 6.485733888e+00 6.485733888e+00 1.260655810e+01 1.260655810e+01 2.829225647e+00 2.829225647e+00 1.499600282e+01 1.499600282e+01 1.88 5.642841363e+00 5.642841363e+00 1.126531445e+01 1.126531445e+01 2.353123717e+00 2.353123717e+00 1.349730785e+01 1.349730785e+01 1.90 4.866816412e+00 4.866816412e+00 1.002567250e+01 1.002567250e+01 1.914582869e+00 1.914582869e+00 1.211074980e+01 1.211074980e+01 1.92 4.153270372e+00 4.153270372e+00 8.880473131e+00 8.880473131e+00 1.510866077e+00 1.510866077e+00 1.082833151e+01 1.082833151e+01 1.94 3.498112185e+00 3.498112185e+00 7.822944568e+00 7.822944568e+00 1.139433779e+00 1.139433779e+00 9.642496049e+00 9.642496049e+00 1.96 2.897339183e+00 2.897339183e+00 6.846692467e+00 6.846692467e+00 7.979347142e-01 7.979347142e-01 8.546173718e+00 8.546173718e+00 1.98 2.346924458e+00 2.346924458e+00 5.945752341e+00 5.945752341e+00 4.842222023e-01 4.842222023e-01 7.532839807e+00 7.532839807e+00 2.00 1.842838752e+00 1.842838752e+00 5.114633977e+00 5.114633977e+00 1.963531724e-01 1.963531724e-01 6.596507858e+00 6.596507858e+00 2.02 1.381142764e+00 1.381142764e+00 4.348344502e+00 4.348344502e+00 -6.742028802e-02 -6.742028802e-02 5.731681014e+00 5.731681014e+00 2.04 9.581290947e-01 9.581290947e-01 3.642362208e+00 3.642362208e+00 -3.086857474e-01 -3.086857474e-01 4.933283816e+00 4.933283816e+00 2.06 5.704422258e-01 5.704422258e-01 2.992578483e+00 2.992578483e+00 -5.289076844e-01 -5.289076844e-01 4.196606465e+00 4.196606465e+00 2.08 2.151337772e-01 2.151337772e-01 2.395219011e+00 2.395219011e+00 -7.295119976e-01 -7.295119976e-01 3.517275743e+00 3.517275743e+00 2.10 -1.103339577e-01 -1.103339577e-01 1.846767095e+00 1.846767095e+00 -9.123018129e-01 -9.123018129e-01 2.891236400e+00 2.891236400e+00 2.12 -4.081501546e-01 -4.081501546e-01 1.343905772e+00 1.343905772e+00 -1.078199076e+00 -1.078199076e+00 2.314721963e+00 2.314721963e+00 2.14 -6.802391467e-01 -6.802391467e-01 8.834835401e-01 8.834835401e-01 -1.227956444e+00 -1.227956444e+00 1.784229783e+00 1.784229783e+00 2.16 -9.283506308e-01 -9.283506308e-01 4.625013618e-01 4.625013618e-01 -1.362407539e+00 -1.362407539e+00 1.296480095e+00 1.296480095e+00 2.18 -1.154150407e+00 -1.154150407e+00 7.809753468e-02 7.809753468e-02 -1.482426215e+00 -1.482426215e+00 8.483927280e-01 8.483927280e-01 2.20 -1.359257257e+00 -1.359257257e+00 -2.724331627e-01 -2.724331627e-01 -1.588906832e+00 -1.588906832e+00 4.370849683e-01 4.370849683e-01 2.22 -1.545272681e+00 -1.545272681e+00 -5.916487652e-01 -5.916487652e-01 -1.682931889e+00 -1.682931889e+00 5.987300118e-02 5.987300118e-02 2.24 -1.713756826e+00 -1.713756826e+00 -8.819538205e-01 -8.819538205e-01 -1.765104348e+00 -1.765104348e+00 -2.857212510e-01 -2.857212510e-01 2.26 -1.866179571e+00 -1.866179571e+00 -1.145602028e+00 -1.145602028e+00 -1.835989716e+00 -1.835989716e+00 -6.019698913e-01 -6.019698913e-01 2.28 -2.003864754e+00 -2.003864754e+00 -1.384706491e+00 -1.384706491e+00 -1.896220699e+00 -1.896220699e+00 -8.909460450e-01 -8.909460450e-01 2.30 -2.127951842e+00 -2.127951842e+00 -1.601252661e+00 -1.601252661e+00 -1.946481903e+00 -1.946481903e+00 -1.154542415e+00 -1.154542415e+00 2.32 -2.239395645e+00 -2.239395645e+00 -1.797112352e+00 -1.797112352e+00 -1.987516581e+00 -1.987516581e+00 -1.394491593e+00 -1.394491593e+00 2.34 -2.339335364e+00 -2.339335364e+00 -1.974027870e+00 -1.974027870e+00 -2.020094249e+00 -2.020094249e+00 -1.612386236e+00 -1.612386236e+00 2.36 -2.428477151e+00 -2.428477151e+00 -2.133597113e+00 -2.133597113e+00 -2.044998516e+00 -2.044998516e+00 -1.809696796e+00 -1.809696796e+00 2.38 -2.506934307e+00 -2.506934307e+00 -2.277247727e+00 -2.277247727e+00 -2.062974047e+00 -2.062974047e+00 -1.987787272e+00 -1.987787272e+00 2.40 -2.574936237e+00 -2.574936237e+00 -2.406226626e+00 -2.406226626e+00 -2.074675257e+00 -2.074675257e+00 -2.147939799e+00 -2.147939799e+00 2.42 -2.632820656e+00 -2.632820656e+00 -2.521611613e+00 -2.521611613e+00 -2.080653054e+00 -2.080653054e+00 -2.291367446e+00 -2.291367446e+00 2.44 -2.681018820e+00 -2.681018820e+00 -2.624341839e+00 -2.624341839e+00 -2.081361337e+00 -2.081361337e+00 -2.419248202e+00 -2.419248202e+00 2.46 -2.720045320e+00 -2.720045320e+00 -2.715256354e+00 -2.715256354e+00 -2.077175536e+00 -2.077175536e+00 -2.532737516e+00 -2.532737516e+00 2.48 -2.750685057e+00 -2.750685057e+00 -2.795129860e+00 -2.795129860e+00 -2.068414993e+00 -2.068414993e+00 -2.632983533e+00 -2.632983533e+00 2.50 -2.773456910e+00 -2.773456910e+00 -2.864699376e+00 -2.864699376e+00 -2.055363897e+00 -2.055363897e+00 -2.721129590e+00 -2.721129590e+00 2.52 -2.788808589e+00 -2.788808589e+00 -2.924809415e+00 -2.924809415e+00 -2.038289015e+00 -2.038289015e+00 -2.798289887e+00 -2.798289887e+00 2.54 -2.797248221e+00 -2.797248221e+00 -2.976530435e+00 -2.976530435e+00 -2.017454506e+00 -2.017454506e+00 -2.865529052e+00 -2.865529052e+00 2.56 -2.799316095e+00 -2.799316095e+00 -3.020110489e+00 -3.020110489e+00 -1.993134453e+00 -1.993134453e+00 -2.924039124e+00 -2.924039124e+00 2.58 -2.795561218e+00 -2.795561218e+00 -3.055786155e+00 -3.055786155e+00 -1.965621482e+00 -1.965621482e+00 -2.974931005e+00 -2.974931005e+00 2.60 -2.786517291e+00 -2.786517291e+00 -3.083873832e+00 -3.083873832e+00 -1.935239810e+00 -1.935239810e+00 -3.018527116e+00 -3.018527116e+00 2.62 -2.772685108e+00 -2.772685108e+00 -3.104746336e+00 -3.104746336e+00 -1.902337745e+00 -1.902337745e+00 -3.055105557e+00 -3.055105557e+00 2.64 -2.754527503e+00 -2.754527503e+00 -3.118829868e+00 -3.118829868e+00 -1.867293223e+00 -1.867293223e+00 -3.084930019e+00 -3.084930019e+00 2.66 -2.732457397e+00 -2.732457397e+00 -3.126625309e+00 -3.126625309e+00 -1.830506752e+00 -1.830506752e+00 -3.108249109e+00 -3.108249109e+00 2.68 -2.706816992e+00 -2.706816992e+00 -3.128814551e+00 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