# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2021--Ko-W-S-Lee-J-S-Kim-D-H--Ag-Cu-Sn # implementation = 2021--Ko-W-S--Ag-Cu-Sn--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 2026-06-16 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 nan nan nan nan nan nan 0.70 nan nan nan nan nan nan nan nan nan nan 0.72 nan nan nan nan nan nan nan nan nan nan 0.74 nan nan nan nan nan nan nan nan nan nan 0.76 nan nan nan nan nan nan nan nan nan nan 0.78 nan nan nan nan 6.307526853e+02 6.307526853e+02 6.289785282e+02 6.289785282e+02 nan nan 0.80 nan nan nan nan 5.791105462e+02 5.791105462e+02 5.777255260e+02 5.777255260e+02 nan nan 0.82 nan nan nan nan 5.318414715e+02 5.318414715e+02 5.307794735e+02 5.307794735e+02 nan nan 0.84 nan nan nan nan 4.885608919e+02 4.885608919e+02 4.877651874e+02 4.877651874e+02 nan nan 0.86 nan nan nan nan 4.489188959e+02 4.489188959e+02 4.483409704e+02 4.483409704e+02 nan nan 0.88 nan nan nan nan 4.125970785e+02 4.125970785e+02 4.121955925e+02 4.121955925e+02 nan nan 0.90 6.425727952e+02 6.425727952e+02 nan nan 3.793056747e+02 3.793056747e+02 3.790455445e+02 3.790455445e+02 nan nan 0.92 5.943966067e+02 5.943966067e+02 nan nan 3.487809556e+02 3.487809556e+02 3.486325391e+02 3.486325391e+02 nan nan 0.94 5.497902274e+02 5.497902274e+02 nan nan 3.207828592e+02 3.207828592e+02 3.207212376e+02 3.207212376e+02 nan nan 0.96 5.084884456e+02 5.084884456e+02 nan nan 2.950928380e+02 2.950928380e+02 2.950971812e+02 2.950971812e+02 nan nan 0.98 4.702458363e+02 4.702458363e+02 6.136552909e+02 6.136552909e+02 2.715119023e+02 2.715119023e+02 2.715649108e+02 2.715649108e+02 nan nan 1.00 4.348352832e+02 4.348352832e+02 5.719260793e+02 5.719260793e+02 2.498588413e+02 2.498588413e+02 2.499462543e+02 2.499462543e+02 6.027036579e+02 6.027036579e+02 1.02 4.020466112e+02 4.020466112e+02 5.329248125e+02 5.329248125e+02 2.299686064e+02 2.299686064e+02 2.300787708e+02 2.300787708e+02 5.624809888e+02 5.624809888e+02 1.04 3.716853205e+02 3.716853205e+02 4.964761759e+02 4.964761759e+02 2.116908421e+02 2.116908421e+02 2.118143339e+02 2.118143339e+02 5.248404700e+02 5.248404700e+02 1.06 3.435714149e+02 3.435714149e+02 4.624161073e+02 4.624161073e+02 1.948885508e+02 1.948885508e+02 1.950178441e+02 1.950178441e+02 4.896188512e+02 4.896188512e+02 1.08 3.175383184e+02 3.175383184e+02 4.305910655e+02 4.305910655e+02 1.794368789e+02 1.794368789e+02 1.795660572e+02 1.795660572e+02 4.566632146e+02 4.566632146e+02 1.10 2.934318718e+02 2.934318718e+02 4.008573475e+02 4.008573475e+02 1.652220146e+02 1.652220146e+02 1.653465187e+02 1.653465187e+02 4.258303109e+02 4.258303109e+02 1.12 2.711094044e+02 2.711094044e+02 3.730804511e+02 3.730804511e+02 1.521401857e+02 1.521401857e+02 1.522565951e+02 1.522565951e+02 3.969859398e+02 3.969859398e+02 1.14 2.504388750e+02 2.504388750e+02 3.471344800e+02 3.471344800e+02 1.400967490e+02 1.400967490e+02 1.402025920e+02 1.402025920e+02 3.700043707e+02 3.700043707e+02 1.16 2.312980774e+02 2.312980774e+02 3.229015877e+02 3.229015877e+02 1.290053635e+02 1.290053635e+02 1.290989535e+02 1.290989535e+02 3.447678017e+02 3.447678017e+02 1.18 2.135739043e+02 2.135739043e+02 3.002714585e+02 3.002714585e+02 1.187872386e+02 1.187872386e+02 1.188675326e+02 1.188675326e+02 3.211658536e+02 3.211658536e+02 1.20 1.971616675e+02 1.971616675e+02 2.791408227e+02 2.791408227e+02 1.093704513e+02 1.093704513e+02 1.094369287e+02 1.094369287e+02 2.990950971e+02 2.990950971e+02 1.22 1.819644675e+02 1.819644675e+02 2.594130030e+02 2.594130030e+02 1.006893261e+02 1.006893261e+02 1.007418847e+02 1.007418847e+02 2.784586107e+02 2.784586107e+02 1.24 1.678926114e+02 1.678926114e+02 2.409974919e+02 2.409974919e+02 9.268387122e+01 9.268387122e+01 9.272273928e+01 9.272273928e+01 2.591655676e+02 2.591655676e+02 1.26 1.548630737e+02 1.548630737e+02 2.238095557e+02 2.238095557e+02 8.529926727e+01 8.529926727e+01 8.532492803e+01 8.532492803e+01 2.411308487e+02 2.411308487e+02 1.28 1.427989975e+02 1.427989975e+02 2.077698643e+02 2.077698643e+02 7.848540165e+01 7.848540165e+01 7.849853044e+01 7.849853044e+01 2.242746815e+02 2.242746815e+02 1.30 1.316292332e+02 1.316292332e+02 1.928041463e+02 1.928041463e+02 7.219644663e+01 7.219644663e+01 7.219785770e+01 7.219785770e+01 2.085223017e+02 2.085223017e+02 1.32 1.212879118e+02 1.212879118e+02 1.788428652e+02 1.788428652e+02 6.639047544e+01 6.639047544e+01 6.638107799e+01 6.638107799e+01 1.938036373e+02 1.938036373e+02 1.34 1.117140495e+02 1.117140495e+02 1.658209174e+02 1.658209174e+02 6.102911378e+01 6.102911378e+01 6.100987547e+01 6.100987547e+01 1.800530116e+02 1.800530116e+02 1.36 1.028511833e+02 1.028511833e+02 1.536773496e+02 1.536773496e+02 5.607722331e+01 5.607722331e+01 5.604914048e+01 5.604914048e+01 1.672088677e+02 1.672088677e+02 1.38 9.464703231e+01 9.464703231e+01 1.423550945e+02 1.423550945e+02 5.150261391e+01 5.150261391e+01 5.146668757e+01 5.146668757e+01 1.552135078e+02 1.552135078e+02 1.40 8.705318559e+01 8.705318559e+01 1.318007233e+02 1.318007233e+02 4.727578245e+01 4.727578245e+01 4.723299906e+01 4.723299906e+01 1.440128518e+02 1.440128518e+02 1.42 8.002481300e+01 8.002481300e+01 1.219642150e+02 1.219642150e+02 4.336967545e+01 4.336967545e+01 4.332099192e+01 4.332099192e+01 1.335562093e+02 1.335562093e+02 1.44 7.352039768e+01 7.352039768e+01 1.127987392e+02 1.127987392e+02 3.975947329e+01 3.975947329e+01 3.970580557e+01 3.970580557e+01 1.237960678e+02 1.237960678e+02 1.46 6.750148881e+01 6.750148881e+01 1.042604540e+02 1.042604540e+02 3.642239428e+01 3.642239428e+01 3.636460884e+01 3.636460884e+01 1.146878927e+02 1.146878927e+02 1.48 6.193247284e+01 6.193247284e+01 9.630831652e+01 9.630831652e+01 3.333751654e+01 3.333751654e+01 3.327642447e+01 3.327642447e+01 1.061899418e+02 1.061899418e+02 1.50 5.678036175e+01 5.678036175e+01 8.890390532e+01 8.890390532e+01 3.048561608e+01 3.048561608e+01 3.042196922e+01 3.042196922e+01 9.826309023e+01 9.826309023e+01 1.52 5.201459756e+01 5.201459756e+01 8.201125441e+01 8.201125441e+01 2.784901968e+01 2.784901968e+01 2.778350845e+01 2.778350845e+01 9.087066682e+01 9.087066682e+01 1.54 4.760687115e+01 4.760687115e+01 7.559669783e+01 7.559669783e+01 2.541147109e+01 2.541147109e+01 2.534472380e+01 2.534472380e+01 8.397830125e+01 8.397830125e+01 1.56 4.353095491e+01 4.353095491e+01 6.962872400e+01 6.962872400e+01 2.315800929e+01 2.315800929e+01 2.309059257e+01 2.309059257e+01 7.755378032e+01 7.755378032e+01 1.58 3.976254794e+01 3.976254794e+01 6.407783958e+01 6.407783958e+01 2.107485795e+01 2.107485795e+01 2.100727802e+01 2.100727802e+01 7.156691360e+01 7.156691360e+01 1.60 3.627913278e+01 3.627913278e+01 5.891644170e+01 5.891644170e+01 1.914932462e+01 1.914932462e+01 1.908202922e+01 1.908202922e+01 6.598940735e+01 6.598940735e+01 1.62 3.305984297e+01 3.305984297e+01 5.411869847e+01 5.411869847e+01 1.736970918e+01 1.736970918e+01 1.730309076e+01 1.730309076e+01 6.079474645e+01 6.079474645e+01 1.64 3.008534058e+01 3.008534058e+01 4.966043714e+01 4.966043714e+01 1.572522024e+01 1.572522024e+01 1.565961827e+01 1.565961827e+01 5.595808381e+01 5.595808381e+01 1.66 2.733770282e+01 2.733770282e+01 4.551903906e+01 4.551903906e+01 1.420585178e+01 1.420585178e+01 1.414158302e+01 1.414158302e+01 5.145613652e+01 5.145613652e+01 1.68 2.480031730e+01 2.480031730e+01 4.167334155e+01 4.167334155e+01 1.280248424e+01 1.280248424e+01 1.273977996e+01 1.273977996e+01 4.726708866e+01 4.726708866e+01 1.70 2.245778503e+01 2.245778503e+01 3.810354588e+01 3.810354588e+01 1.150662290e+01 1.150662290e+01 1.144566736e+01 1.144566736e+01 4.337050015e+01 4.337050015e+01 1.72 2.029583075e+01 2.029583075e+01 3.479113095e+01 3.479113095e+01 1.031039160e+01 1.031039160e+01 1.025134705e+01 1.025134705e+01 3.974722117e+01 3.974722117e+01 1.74 1.830121998e+01 1.830121998e+01 3.171877259e+01 3.171877259e+01 9.206531111e+00 9.206531111e+00 9.149524166e+00 9.149524166e+00 3.637931214e+01 3.637931214e+01 1.76 1.646168224e+01 1.646168224e+01 2.887026782e+01 2.887026782e+01 8.188316707e+00 8.188316707e+00 8.133443554e+00 8.133443554e+00 3.324996841e+01 3.324996841e+01 1.78 1.476584004e+01 1.476584004e+01 2.623046389e+01 2.623046389e+01 7.249545011e+00 7.249545011e+00 7.196871279e+00 7.196871279e+00 3.034344983e+01 3.034344983e+01 1.80 1.320314325e+01 1.320314325e+01 2.378519185e+01 2.378519185e+01 6.384460775e+00 6.384460775e+00 6.334024012e+00 6.334024012e+00 2.764501465e+01 2.764501465e+01 1.82 1.176380821e+01 1.176380821e+01 2.152120417e+01 2.152120417e+01 5.587724808e+00 5.587724808e+00 5.539542114e+00 5.539542114e+00 2.514085745e+01 2.514085745e+01 1.84 1.043876155e+01 1.043876155e+01 1.942611639e+01 1.942611639e+01 4.854393857e+00 4.854393857e+00 4.808462410e+00 4.808462410e+00 2.281805094e+01 2.281805094e+01 1.86 9.219588101e+00 9.219588101e+00 1.748835241e+01 1.748835241e+01 4.179884337e+00 4.179884337e+00 4.136184046e+00 4.136184046e+00 2.066449145e+01 2.066449145e+01 1.88 8.098482736e+00 8.098482736e+00 1.569709315e+01 1.569709315e+01 3.559944471e+00 3.559944471e+00 3.518440442e+00 3.518440442e+00 1.866884767e+01 1.866884767e+01 1.90 7.068205768e+00 7.068205768e+00 1.404222846e+01 1.404222846e+01 2.990628810e+00 2.990628810e+00 2.951273607e+00 2.951273607e+00 1.682051262e+01 1.682051262e+01 1.92 6.122041684e+00 6.122041684e+00 1.251431205e+01 1.251431205e+01 2.468274876e+00 2.468274876e+00 2.431010610e+00 2.431010610e+00 1.510955859e+01 1.510955859e+01 1.94 5.253760908e+00 5.253760908e+00 1.110451919e+01 1.110451919e+01 1.989481727e+00 1.989481727e+00 1.954241964e+00 1.954241964e+00 1.352669478e+01 1.352669478e+01 1.96 4.457584458e+00 4.457584458e+00 9.804607694e+00 9.804607694e+00 1.551090328e+00 1.551090328e+00 1.517801802e+00 1.517801802e+00 1.206322770e+01 1.206322770e+01 1.98 3.728151168e+00 3.728151168e+00 8.606879647e+00 8.606879647e+00 1.150165501e+00 1.150165501e+00 1.118749679e+00 1.118749679e+00 1.071102385e+01 1.071102385e+01 2.00 3.060487348e+00 3.060487348e+00 7.504147491e+00 7.504147491e+00 7.839793490e-01 7.839793490e-01 7.543538211e-01 7.543538211e-01 9.462474770e+00 9.462474770e+00 2.02 2.449969563e+00 2.449969563e+00 6.489701188e+00 6.489701188e+00 4.499960311e-01 4.499960311e-01 4.220757441e-01 4.220757441e-01 8.310464276e+00 8.310464276e+00 2.04 1.892263550e+00 1.892263550e+00 5.557277617e+00 5.557277617e+00 1.458577327e-01 1.458577327e-01 1.195560938e-01 1.195560938e-01 7.248337904e+00 7.248337904e+00 2.06 1.383536884e+00 1.383536884e+00 4.701031935e+00 4.701031935e+00 -1.306282361e-01 -1.306282361e-01 -1.553984048e-01 -1.553984048e-01 6.269873431e+00 6.269873431e+00 2.08 9.200285999e-01 9.200285999e-01 3.915510725e+00 3.915510725e+00 -3.815013218e-01 -3.815013218e-01 -4.048269512e-01 -4.048269512e-01 5.369254271e+00 5.369254271e+00 2.10 4.983191532e-01 4.983191532e-01 3.195626794e+00 3.195626794e+00 -6.086587053e-01 -6.086587053e-01 -6.306257552e-01 -6.306257552e-01 4.541043860e+00 4.541043860e+00 2.12 1.152371639e-01 1.152371639e-01 2.536635598e+00 2.536635598e+00 -8.138654046e-01 -8.138654046e-01 -8.346351914e-01 -8.346351914e-01 3.780161793e+00 3.780161793e+00 2.14 -2.321594662e-01 -2.321594662e-01 1.934113125e+00 1.934113125e+00 -9.990218250e-01 -9.990218250e-01 -1.018888710e+00 -1.018888710e+00 3.081860886e+00 3.081860886e+00 2.16 -5.466000419e-01 -5.466000419e-01 1.383935157e+00 1.383935157e+00 -1.168259205e+00 -1.168259205e+00 -1.183881633e+00 -1.183881633e+00 2.441707355e+00 2.441707355e+00 2.18 -8.306163318e-01 -8.306163318e-01 8.822578601e-01 8.822578601e-01 -1.317475039e+00 -1.317475039e+00 -1.331479727e+00 -1.331479727e+00 1.855561722e+00 1.855561722e+00 2.20 -1.086556757e+00 -1.086556757e+00 4.254995774e-01 4.254995774e-01 -1.450057154e+00 -1.450057154e+00 -1.463163063e+00 -1.463163063e+00 1.319556366e+00 1.319556366e+00 2.22 -1.316601041e+00 -1.316601041e+00 1.032376509e-02 1.032376509e-02 -1.567846775e+00 -1.567846775e+00 -1.580134519e+00 -1.580134519e+00 8.300818426e-01 8.300818426e-01 2.24 -1.522769518e+00 -1.522769518e+00 -3.663769676e-01 -3.663769676e-01 -1.671987918e+00 -1.671987918e+00 -1.683533727e+00 -1.683533727e+00 3.837694780e-01 3.837694780e-01 2.26 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