# 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 = AgSn # 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 4.492070960e+02 4.492070960e+02 4.598838789e+02 4.598838789e+02 nan nan 0.80 nan nan nan nan 4.241811101e+02 4.241811101e+02 4.339296326e+02 4.339296326e+02 nan nan 0.82 nan nan nan nan 4.004625213e+02 4.004625213e+02 4.093592165e+02 4.093592165e+02 nan nan 0.84 nan nan nan nan 3.779859888e+02 3.779859888e+02 3.861013850e+02 3.861013850e+02 nan nan 0.86 nan nan nan nan 3.566893462e+02 3.566893462e+02 3.640884852e+02 3.640884852e+02 nan nan 0.88 nan nan nan nan 3.365134480e+02 3.365134480e+02 3.432562777e+02 3.432562777e+02 nan nan 0.90 6.006199315e+02 6.006199315e+02 nan nan 3.174020241e+02 3.174020241e+02 3.235437664e+02 3.235437664e+02 nan nan 0.92 5.670832074e+02 5.670832074e+02 nan nan 2.993015412e+02 2.993015412e+02 3.048930364e+02 3.048930364e+02 nan nan 0.94 5.353029819e+02 5.353029819e+02 nan nan 2.821610709e+02 2.821610709e+02 2.872491002e+02 2.872491002e+02 nan nan 0.96 5.051919587e+02 5.051919587e+02 nan nan 2.659321652e+02 2.659321652e+02 2.705597514e+02 2.705597514e+02 nan nan 0.98 4.766669675e+02 4.766669675e+02 8.206054428e+02 8.206054428e+02 2.505687369e+02 2.505687369e+02 2.547754256e+02 2.547754256e+02 nan nan 1.00 4.496487790e+02 4.496487790e+02 7.742658621e+02 7.742658621e+02 2.360269465e+02 2.360269465e+02 2.398490684e+02 2.398490684e+02 7.807956565e+02 7.807956565e+02 1.02 4.240619271e+02 4.240619271e+02 7.304283688e+02 7.304283688e+02 2.222650947e+02 2.222650947e+02 2.257360095e+02 2.257360095e+02 7.381496092e+02 7.381496092e+02 1.04 3.998345393e+02 3.998345393e+02 6.889620892e+02 6.889620892e+02 2.092435199e+02 2.092435199e+02 2.123938436e+02 2.123938436e+02 6.977071769e+02 6.977071769e+02 1.06 3.768981742e+02 3.768981742e+02 6.497428192e+02 6.497428192e+02 1.969245005e+02 1.969245005e+02 1.997823172e+02 1.997823172e+02 6.593598454e+02 6.593598454e+02 1.08 3.551876660e+02 3.551876660e+02 6.126526919e+02 6.126526919e+02 1.852721621e+02 1.852721621e+02 1.878632206e+02 1.878632206e+02 6.230041776e+02 6.230041776e+02 1.10 3.346409754e+02 3.346409754e+02 5.775798621e+02 5.775798621e+02 1.742523895e+02 1.742523895e+02 1.766002855e+02 1.766002855e+02 5.885415903e+02 5.885415903e+02 1.12 3.151990474e+02 3.151990474e+02 5.444182048e+02 5.444182048e+02 1.638327422e+02 1.638327422e+02 1.659590881e+02 1.659590881e+02 5.558781393e+02 5.558781393e+02 1.14 2.968056749e+02 2.968056749e+02 5.130670305e+02 5.130670305e+02 1.539823745e+02 1.539823745e+02 1.559069564e+02 1.559069564e+02 5.249243143e+02 5.249243143e+02 1.16 2.794073683e+02 2.794073683e+02 4.834308120e+02 4.834308120e+02 1.446719592e+02 1.446719592e+02 1.464128826e+02 1.464128826e+02 4.955948414e+02 4.955948414e+02 1.18 2.629532307e+02 2.629532307e+02 4.554189269e+02 4.554189269e+02 1.358736150e+02 1.358736150e+02 1.374474396e+02 1.374474396e+02 4.678084944e+02 4.678084944e+02 1.20 2.473948389e+02 2.473948389e+02 4.289454109e+02 4.289454109e+02 1.275608374e+02 1.275608374e+02 1.289827018e+02 1.289827018e+02 4.414879132e+02 4.414879132e+02 1.22 2.326861288e+02 2.326861288e+02 4.039287245e+02 4.039287245e+02 1.197084327e+02 1.197084327e+02 1.209921699e+02 1.209921699e+02 4.165594301e+02 4.165594301e+02 1.24 2.187832865e+02 2.187832865e+02 3.802915303e+02 3.802915303e+02 1.122924551e+02 1.122924551e+02 1.134506993e+02 1.134506993e+02 3.929529036e+02 3.929529036e+02 1.26 2.056446444e+02 2.056446444e+02 3.579604820e+02 3.579604820e+02 1.052901473e+02 1.052901473e+02 1.063344323e+02 1.063344323e+02 3.706015586e+02 3.706015586e+02 1.28 1.932305804e+02 1.932305804e+02 3.368660229e+02 3.368660229e+02 9.867988324e+01 9.867988324e+01 9.962073338e+01 9.962073338e+01 3.494418339e+02 3.494418339e+02 1.30 1.815034235e+02 1.815034235e+02 3.169421952e+02 3.169421952e+02 9.244111384e+01 9.244111384e+01 9.328812792e+01 9.328812792e+01 3.294132356e+02 3.294132356e+02 1.32 1.704273622e+02 1.704273622e+02 2.981264582e+02 2.981264582e+02 8.655431539e+01 8.655431539e+01 8.731624405e+01 8.731624405e+01 3.104581971e+02 3.104581971e+02 1.34 1.599683572e+02 1.599683572e+02 2.803595157e+02 2.803595157e+02 8.100094018e+01 8.100094018e+01 8.168575715e+01 8.168575715e+01 2.925219450e+02 2.925219450e+02 1.36 1.500940586e+02 1.500940586e+02 2.635851518e+02 2.635851518e+02 7.576336960e+01 7.576336960e+01 7.637833732e+01 7.637833732e+01 2.755523708e+02 2.755523708e+02 1.38 1.407737258e+02 1.407737258e+02 2.477500747e+02 2.477500747e+02 7.082486933e+01 7.082486933e+01 7.137659941e+01 7.137659941e+01 2.594999076e+02 2.594999076e+02 1.40 1.319781519e+02 1.319781519e+02 2.328037688e+02 2.328037688e+02 6.616954675e+01 6.616954675e+01 6.666405547e+01 6.666405547e+01 2.443174129e+02 2.443174129e+02 1.42 1.236795908e+02 1.236795908e+02 2.186983532e+02 2.186983532e+02 6.178231028e+01 6.178231028e+01 6.222506970e+01 6.222506970e+01 2.299600560e+02 2.299600560e+02 1.44 1.158516879e+02 1.158516879e+02 2.053884485e+02 2.053884485e+02 5.764883062e+01 5.764883062e+01 5.804481554e+01 5.804481554e+01 2.163852104e+02 2.163852104e+02 1.46 1.084694138e+02 1.084694138e+02 1.928310486e+02 1.928310486e+02 5.375550388e+01 5.375550388e+01 5.410923492e+01 5.410923492e+01 2.035523507e+02 2.035523507e+02 1.48 1.015090013e+02 1.015090013e+02 1.809854007e+02 1.809854007e+02 5.008941643e+01 5.008941643e+01 5.040499960e+01 5.040499960e+01 1.914229547e+02 1.914229547e+02 1.50 9.494788456e+01 9.494788456e+01 1.698128895e+02 1.698128895e+02 4.663831131e+01 4.663831131e+01 4.691947430e+01 4.691947430e+01 1.799604086e+02 1.799604086e+02 1.52 8.876464165e+01 8.876464165e+01 1.592769285e+02 1.592769285e+02 4.339055635e+01 4.339055635e+01 4.364068183e+01 4.364068183e+01 1.691299179e+02 1.691299179e+02 1.54 8.293893953e+01 8.293893953e+01 1.493428563e+02 1.493428563e+02 4.033511371e+01 4.033511371e+01 4.055726982e+01 4.055726982e+01 1.588984206e+02 1.588984206e+02 1.56 7.745148143e+01 7.745148143e+01 1.399778375e+02 1.399778375e+02 3.746151088e+01 3.746151088e+01 3.765847915e+01 3.765847915e+01 1.492345059e+02 1.492345059e+02 1.58 7.228395673e+01 7.228395673e+01 1.311507697e+02 1.311507697e+02 3.475981306e+01 3.475981306e+01 3.493411400e+01 3.493411400e+01 1.401083353e+02 1.401083353e+02 1.60 6.741899307e+01 6.741899307e+01 1.228321942e+02 1.228321942e+02 3.222059679e+01 3.222059679e+01 3.237451330e+01 3.237451330e+01 1.314915676e+02 1.314915676e+02 1.62 6.284011075e+01 6.284011075e+01 1.149942113e+02 1.149942113e+02 2.983492488e+01 2.983492488e+01 2.997052364e+01 2.997052364e+01 1.233572876e+02 1.233572876e+02 1.64 5.853167917e+01 5.853167917e+01 1.076104006e+02 1.076104006e+02 2.759432252e+01 2.759432252e+01 2.771347357e+01 2.771347357e+01 1.156799377e+02 1.156799377e+02 1.66 5.447887525e+01 5.447887525e+01 1.006557444e+02 1.006557444e+02 2.549075448e+01 2.549075448e+01 2.559514910e+01 2.559514910e+01 1.084352525e+02 1.084352525e+02 1.68 5.066764388e+01 5.066764388e+01 9.410655524e+01 9.410655524e+01 2.351660344e+01 2.351660344e+01 2.360777046e+01 2.360777046e+01 1.016001967e+02 1.016001967e+02 1.70 4.708466015e+01 4.708466015e+01 8.794040736e+01 8.794040736e+01 2.166464929e+01 2.166464929e+01 2.174397002e+01 2.174397002e+01 9.515290547e+01 9.515290547e+01 1.72 4.371729327e+01 4.371729327e+01 8.213607134e+01 8.213607134e+01 1.992804948e+01 1.992804948e+01 1.999677128e+01 1.999677128e+01 8.907262800e+01 8.907262800e+01 1.74 4.055357232e+01 4.055357232e+01 7.667345215e+01 7.667345215e+01 1.830032024e+01 1.830032024e+01 1.835956894e+01 1.835956894e+01 8.333967306e+01 8.333967306e+01 1.76 3.758215349e+01 3.758215349e+01 7.153353022e+01 7.153353022e+01 1.677531874e+01 1.677531874e+01 1.682610995e+01 1.682610995e+01 7.793535757e+01 7.793535757e+01 1.78 3.479228891e+01 3.479228891e+01 6.669830560e+01 6.669830560e+01 1.534722606e+01 1.534722606e+01 1.539047544e+01 1.539047544e+01 7.284195726e+01 7.284195726e+01 1.80 3.217379694e+01 3.217379694e+01 6.215074495e+01 6.215074495e+01 1.401053103e+01 1.401053103e+01 1.404706369e+01 1.404706369e+01 6.804265977e+01 6.804265977e+01 1.82 2.971703388e+01 2.971703388e+01 5.787473109e+01 5.787473109e+01 1.276001477e+01 1.276001477e+01 1.279057382e+01 1.279057382e+01 6.352151982e+01 6.352151982e+01 1.84 2.741286697e+01 2.741286697e+01 5.385501530e+01 5.385501530e+01 1.159073604e+01 1.159073604e+01 1.161599031e+01 1.161599031e+01 5.926341649e+01 5.926341649e+01 1.86 2.525264874e+01 2.525264874e+01 5.007717186e+01 5.007717186e+01 1.049801726e+01 1.049801726e+01 1.051856839e+01 1.051856839e+01 5.525401258e+01 5.525401258e+01 1.88 2.322819251e+01 2.322819251e+01 4.652755504e+01 4.652755504e+01 9.477431149e+00 9.477431149e+00 9.493820016e+00 9.493820016e+00 5.147971575e+01 5.147971575e+01 1.90 2.133174917e+01 2.133174917e+01 4.319325822e+01 4.319325822e+01 8.524788144e+00 8.524788144e+00 8.537500673e+00 8.537500673e+00 4.792764161e+01 4.792764161e+01 1.92 1.955598494e+01 1.955598494e+01 4.006207507e+01 4.006207507e+01 7.636124290e+00 7.636124290e+00 7.645596755e+00 7.645596755e+00 4.458557845e+01 4.458557845e+01 1.94 1.789396029e+01 1.789396029e+01 3.712246280e+01 3.712246280e+01 6.807689775e+00 6.807689775e+00 6.814313611e+00 6.814313611e+00 4.144195371e+01 4.144195371e+01 1.96 1.633910985e+01 1.633910985e+01 3.436350721e+01 3.436350721e+01 6.035938028e+00 6.035938028e+00 6.040064181e+00 6.040064181e+00 3.848580199e+01 3.848580199e+01 1.98 1.488522329e+01 1.488522329e+01 3.177488956e+01 3.177488956e+01 5.317515324e+00 5.317515324e+00 5.319458209e+00 5.319458209e+00 3.570673464e+01 3.570673464e+01 2.00 1.352642713e+01 1.352642713e+01 2.934685510e+01 2.934685510e+01 4.649250898e+00 4.649250898e+00 4.649291982e+00 4.649291982e+00 3.309491073e+01 3.309491073e+01 2.02 1.225716744e+01 1.225716744e+01 2.707018334e+01 2.707018334e+01 4.028147557e+00 4.028147557e+00 4.026538601e+00 4.026538601e+00 3.064100949e+01 3.064100949e+01 2.04 1.107219337e+01 1.107219337e+01 2.493615966e+01 2.493615966e+01 3.451372726e+00 3.451372726e+00 3.448338728e+00 3.448338728e+00 2.833620399e+01 2.833620399e+01 2.06 9.966541470e+00 9.966541470e+00 2.293654855e+01 2.293654855e+01 2.916249952e+00 2.916249952e+00 2.911991806e+00 2.911991806e+00 2.617213615e+01 2.617213615e+01 2.08 8.935520850e+00 8.935520850e+00 2.106356813e+01 2.106356813e+01 2.420250821e+00 2.420250821e+00 2.414947717e+00 2.414947717e+00 2.414089295e+01 2.414089295e+01 2.10 7.974698974e+00 7.974698974e+00 1.930986602e+01 1.930986602e+01 1.960987256e+00 1.960987256e+00 1.954798868e+00 1.954798868e+00 2.223498375e+01 2.223498375e+01 2.12 7.079888224e+00 7.079888224e+00 1.766849645e+01 1.766849645e+01 1.536204220e+00 1.536204220e+00 1.529272661e+00 1.529272661e+00 2.044731874e+01 2.044731874e+01 2.14 6.247133103e+00 6.247133103e+00 1.613289858e+01 1.613289858e+01 1.143772767e+00 1.143772767e+00 1.136224368e+00 1.136224368e+00 1.877118848e+01 1.877118848e+01 2.16 5.472698065e+00 5.472698065e+00 1.469687588e+01 1.469687588e+01 7.816834226e-01 7.816834226e-01 7.736303427e-01 7.736303427e-01 1.720024433e+01 1.720024433e+01 2.18 4.753055970e+00 4.753055970e+00 1.335457665e+01 1.335457665e+01 4.480399260e-01 4.480399260e-01 4.395815908e-01 4.395815908e-01 1.572847995e+01 1.572847995e+01 2.20 4.084877099e+00 4.084877099e+00 1.210047552e+01 1.210047552e+01 1.410532534e-01 1.410532534e-01 1.322776668e-01 1.322776668e-01 1.435021366e+01 1.435021366e+01 2.22 3.465018719e+00 3.465018719e+00 1.092935591e+01 1.092935591e+01 -1.409640491e-01 -1.409640491e-01 -1.499791280e-01 -1.499791280e-01 1.306007166e+01 1.306007166e+01 2.24 2.890515188e+00 2.890515188e+00 9.836293402e+00 9.836293402e+00 -3.996032420e-01 -3.996032420e-01 -4.087892416e-01 -4.087892416e-01 1.185297207e+01 1.185297207e+01 2.26 2.358568529e+00 2.358568529e+00 8.816640015e+00 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