# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2023--Daw-M-S-Chandross-M--Cu-Ag-Au-Ni-Pd-Pt # implementation = 2023--Daw-M-S--Cu-Ag-Au-Ni-Pd-Pt--LAMMPS--ipr1 # composition = AgPt # 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 2026-08-31 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 8.219573926e+06 8.219573926e+06 8.205667268e+06 8.205667268e+06 nan nan 0.70 nan nan nan nan 7.358167255e+06 7.358167255e+06 7.345642282e+06 7.345642282e+06 nan nan 0.72 nan nan nan nan 6.591382355e+06 6.591382355e+06 6.580142692e+06 6.580142692e+06 nan nan 0.74 nan nan nan nan 5.906773755e+06 5.906773755e+06 5.896685844e+06 5.896685844e+06 nan nan 0.76 nan nan nan nan 5.293800141e+06 5.293800141e+06 5.284717292e+06 5.284717292e+06 nan nan 0.78 8.359501814e+06 8.359501814e+06 nan nan 4.743467362e+06 4.743467362e+06 4.735268423e+06 4.735268423e+06 nan nan 0.80 7.586738816e+06 7.586738816e+06 nan nan 4.248136803e+06 4.248136803e+06 4.240705250e+06 4.240705250e+06 nan nan 0.82 6.888734588e+06 6.888734588e+06 nan nan 3.801198840e+06 3.801198840e+06 3.794466873e+06 3.794466873e+06 nan nan 0.84 6.256806043e+06 6.256806043e+06 nan nan 3.396993248e+06 3.396993248e+06 3.390899672e+06 3.390899672e+06 nan nan 0.86 5.683448625e+06 5.683448625e+06 8.003685810e+06 8.003685810e+06 3.030637844e+06 3.030637844e+06 3.025129844e+06 3.025129844e+06 nan nan 0.88 5.162132131e+06 5.162132131e+06 7.321427103e+06 7.321427103e+06 2.697894926e+06 2.697894926e+06 2.692949943e+06 2.692949943e+06 7.812186278e+06 7.812186278e+06 0.90 4.687183800e+06 4.687183800e+06 6.699501855e+06 6.699501855e+06 2.395115872e+06 2.395115872e+06 2.390675794e+06 2.390675794e+06 7.156990999e+06 7.156990999e+06 0.92 4.253661591e+06 4.253661591e+06 6.131510033e+06 6.131510033e+06 2.119094648e+06 2.119094648e+06 2.115100353e+06 2.115100353e+06 6.558549777e+06 6.558549777e+06 0.94 3.857230653e+06 3.857230653e+06 5.611786835e+06 5.611786835e+06 1.867021760e+06 1.867021760e+06 1.863414663e+06 1.863414663e+06 6.010911909e+06 6.010911909e+06 0.96 3.494087580e+06 3.494087580e+06 5.135421260e+06 5.135421260e+06 1.636449135e+06 1.636449135e+06 1.633160947e+06 1.633160947e+06 5.508899996e+06 5.508899996e+06 0.98 3.160892618e+06 3.160892618e+06 4.698030234e+06 4.698030234e+06 1.425167615e+06 1.425167615e+06 1.422171310e+06 1.422171310e+06 5.047926595e+06 5.047926595e+06 1.00 2.854702060e+06 2.854702060e+06 4.295787871e+06 4.295787871e+06 1.231259483e+06 1.231259483e+06 1.228537999e+06 1.228537999e+06 4.623961427e+06 4.623961427e+06 1.02 2.572909033e+06 2.572909033e+06 3.925309200e+06 3.925309200e+06 1.053030532e+06 1.053030532e+06 1.050571708e+06 1.050571708e+06 4.233459590e+06 4.233459590e+06 1.04 2.313212953e+06 2.313212953e+06 3.583622540e+06 3.583622540e+06 8.889969573e+05 8.889969573e+05 8.867742378e+05 8.867742378e+05 3.873259544e+06 3.873259544e+06 1.06 2.073550644e+06 2.073550644e+06 3.268040582e+06 3.268040582e+06 7.384481695e+05 7.384481695e+05 7.365368901e+05 7.365368901e+05 3.540549848e+06 3.540549848e+06 1.08 1.852071195e+06 1.852071195e+06 2.976200402e+06 2.976200402e+06 6.077008246e+05 6.077008246e+05 6.062052272e+05 6.062052272e+05 3.232810055e+06 3.232810055e+06 1.10 1.647149797e+06 1.647149797e+06 2.705940083e+06 2.705940083e+06 4.949620704e+05 4.949620704e+05 4.937916801e+05 4.937916801e+05 2.947799246e+06 2.947799246e+06 1.12 1.457317663e+06 1.457317663e+06 2.455356625e+06 2.455356625e+06 3.964823137e+05 3.964823137e+05 3.955743835e+05 3.955743835e+05 2.683504272e+06 2.683504272e+06 1.14 1.281243176e+06 1.281243176e+06 2.222759679e+06 2.222759679e+06 3.095013699e+05 3.095013699e+05 3.087988080e+05 3.087988080e+05 2.438136136e+06 2.438136136e+06 1.16 1.117761406e+06 1.117761406e+06 2.006603547e+06 2.006603547e+06 2.383231509e+05 2.383231509e+05 2.378248431e+05 2.378248431e+05 2.210080758e+06 2.210080758e+06 1.18 9.658165835e+05 9.658165835e+05 1.805507714e+06 1.805507714e+06 1.839345449e+05 1.839345449e+05 1.835851690e+05 1.835851690e+05 1.997898705e+06 1.997898705e+06 1.20 8.244596090e+05 8.244596090e+05 1.618242695e+06 1.618242695e+06 1.422660275e+05 1.422660275e+05 1.420217548e+05 1.420217548e+05 1.800287533e+06 1.800287533e+06 1.22 6.933333551e+05 6.933333551e+05 1.443679172e+06 1.443679172e+06 1.102642028e+05 1.102642028e+05 1.100902934e+05 1.100902934e+05 1.616066363e+06 1.616066363e+06 1.24 5.775773153e+05 5.775773153e+05 1.280803672e+06 1.280803672e+06 8.562547215e+04 8.562547215e+04 8.549894587e+04 8.549894587e+04 1.444159157e+06 1.444159157e+06 1.26 4.761394798e+05 4.761394798e+05 1.128698816e+06 1.128698816e+06 6.661117252e+04 6.661117252e+04 6.651813664e+04 6.651813664e+04 1.283594527e+06 1.283594527e+06 1.28 3.863526841e+05 3.863526841e+05 9.865351584e+05 9.865351584e+05 5.190649849e+04 5.190649849e+04 5.183742760e+04 5.183742760e+04 1.133486705e+06 1.133486705e+06 1.30 3.064871439e+05 3.064871439e+05 8.535436417e+05 8.535436417e+05 4.051184980e+04 4.051184980e+04 4.045981757e+04 4.045981757e+04 9.930351347e+05 9.930351347e+05 1.32 2.414429791e+05 2.414429791e+05 7.290302387e+05 7.290302387e+05 3.166440059e+04 3.166440059e+04 3.162501514e+04 3.162501514e+04 8.615109978e+05 8.615109978e+05 1.34 1.904800950e+05 1.904800950e+05 6.138054500e+05 6.138054500e+05 2.477911511e+04 2.477911511e+04 2.475112114e+04 2.475112114e+04 7.382486845e+05 7.382486845e+05 1.36 1.504722434e+05 1.504722434e+05 5.119337275e+05 5.119337275e+05 1.941261875e+04 1.941261875e+04 1.939394268e+04 1.939394268e+04 6.227236052e+05 6.227236052e+05 1.38 1.190137705e+05 1.190137705e+05 4.215489873e+05 4.215489873e+05 1.522407322e+04 1.522407322e+04 1.521240848e+04 1.521240848e+04 5.186210443e+05 5.186210443e+05 1.40 9.423933841e+04 9.423933841e+04 3.406968229e+05 3.406968229e+05 1.195058365e+04 1.195058365e+04 1.194390955e+04 1.194390955e+04 4.264296985e+05 4.264296985e+05 1.42 7.470173312e+04 7.470173312e+04 2.720580178e+05 2.720580178e+05 9.389163355e+03 9.389163355e+03 9.385802891e+03 9.385802891e+03 3.441898615e+05 3.441898615e+05 1.44 5.927337388e+04 5.927337388e+04 2.174968502e+05 2.174968502e+05 7.382484187e+03 7.382484187e+03 7.381313898e+03 7.381313898e+03 2.754230530e+05 2.754230530e+05 1.46 4.707483373e+04 4.707483373e+04 1.740647707e+05 1.740647707e+05 5.808662362e+03 5.808662362e+03 5.808967601e+03 5.808967601e+03 2.206380328e+05 2.206380328e+05 1.48 3.741845098e+04 3.741845098e+04 1.394467638e+05 1.394467638e+05 4.573204337e+03 4.573204337e+03 4.574269481e+03 4.574269481e+03 1.769309376e+05 1.769309376e+05 1.50 2.976631532e+04 2.976631532e+04 1.118163079e+05 1.118163079e+05 3.602548507e+03 3.602548507e+03 3.603850702e+03 3.603850702e+03 1.420178910e+05 1.420178910e+05 1.52 2.369526097e+04 2.369526097e+04 8.973591954e+04 8.973591954e+04 2.839339014e+03 2.839339014e+03 2.840580043e+03 2.840580043e+03 1.140947966e+05 1.140947966e+05 1.54 1.887192600e+04 1.887192600e+04 7.207226327e+04 7.207226327e+04 2.238841084e+03 2.238841084e+03 2.239858052e+03 2.239858052e+03 9.173513684e+04 9.173513684e+04 1.56 1.503690383e+04 1.503690383e+04 5.792711791e+04 5.792711791e+04 1.766013675e+03 1.766013675e+03 1.766749007e+03 1.766749007e+03 7.381175811e+04 7.381175811e+04 1.58 1.198557489e+04 1.198557489e+04 4.658740050e+04 4.658740050e+04 1.393396754e+03 1.393396754e+03 1.393905081e+03 1.393905081e+03 5.943031379e+04 5.943031379e+04 1.60 9.556220070e+03 9.556220070e+03 3.748804166e+04 3.748804166e+04 1.099602724e+03 1.099602724e+03 1.099939288e+03 1.099939288e+03 4.787949826e+04 4.787949826e+04 1.62 7.621049573e+03 7.621049573e+03 3.017963624e+04 3.017963624e+04 8.678365199e+02 8.678365199e+02 8.680573491e+02 8.680573491e+02 3.859322585e+04 3.859322585e+04 1.64 6.078767850e+03 6.078767850e+03 2.430549598e+04 2.430549598e+04 6.849633270e+02 6.849633270e+02 6.851076368e+02 6.851076368e+02 3.112177491e+04 3.112177491e+04 1.66 4.848832676e+03 4.848832676e+03 1.958022748e+04 1.958022748e+04 5.406444307e+02 5.406444307e+02 5.407362920e+02 5.407362920e+02 2.510620193e+04 2.510620193e+04 1.68 3.867670258e+03 3.867670258e+03 1.577668538e+04 1.577668538e+04 4.267318242e+02 4.267318242e+02 4.267823514e+02 4.267823514e+02 2.025953115e+04 2.025953115e+04 1.70 3.084797360e+03 3.084797360e+03 1.271371787e+04 1.271371787e+04 3.368108658e+02 3.368108658e+02 3.368294210e+02 3.368294210e+02 1.635238897e+04 1.635238897e+04 1.72 2.460022703e+03 2.460022703e+03 1.024625899e+04 1.024625899e+04 2.658242021e+02 2.658242021e+02 2.658184496e+02 2.658184496e+02 1.320112513e+04 1.320112513e+04 1.74 1.961344331e+03 1.961344331e+03 8.257872475e+03 8.257872475e+03 2.097776230e+02 2.097776230e+02 2.097534344e+02 2.097534344e+02 1.065840953e+04 1.065840953e+04 1.76 1.563307267e+03 1.563307267e+03 6.654990073e+03 6.654990073e+03 1.655136242e+02 1.655136242e+02 1.654797612e+02 1.654797612e+02 8.605850988e+03 8.605850988e+03 1.78 1.245615954e+03 1.245615954e+03 5.362637807e+03 5.362637807e+03 1.305531950e+02 1.305531950e+02 1.305158306e+02 1.305158306e+02 6.948296065e+03 6.948296065e+03 1.80 9.920404457e+02 9.920404457e+02 4.320533719e+03 4.320533719e+03 1.029386653e+02 1.029386653e+02 1.029015897e+02 1.029015897e+02 5.609485982e+03 5.609485982e+03 1.82 7.895948008e+02 7.895948008e+02 3.480089710e+03 3.480089710e+03 8.112098165e+01 8.112098165e+01 8.108422811e+01 8.108422811e+01 4.527968088e+03 4.527968088e+03 1.84 6.279819872e+02 6.279819872e+02 2.802171914e+03 2.802171914e+03 6.387620482e+01 6.387620482e+01 6.383765407e+01 6.383765407e+01 3.654121060e+03 3.654121060e+03 1.86 4.990187646e+02 4.990187646e+02 2.255400060e+03 2.255400060e+03 5.024173172e+01 5.024173172e+01 5.020070186e+01 5.020070186e+01 2.947993947e+03 2.947993947e+03 1.88 3.961569312e+02 3.961569312e+02 1.814468382e+03 1.814468382e+03 3.945674372e+01 3.945674372e+01 3.941340089e+01 3.941340089e+01 2.377428457e+03 2.377428457e+03 1.90 3.141523572e+02 3.141523572e+02 1.458940510e+03 1.458940510e+03 3.092000365e+01 3.092000365e+01 3.087498215e+01 3.087498215e+01 1.916449339e+03 1.916449339e+03 1.92 2.488102605e+02 2.488102605e+02 1.172333835e+03 1.172333835e+03 2.415670617e+01 2.415670617e+01 2.411081697e+01 2.411081697e+01 1.544073435e+03 1.544073435e+03 1.94 1.967764601e+02 1.967764601e+02 9.413552670e+02 9.413552670e+02 1.879206136e+01 1.879206136e+01 1.874611333e+01 1.874611333e+01 1.243336484e+03 1.243336484e+03 1.96 1.553673814e+02 1.553673814e+02 7.552789384e+02 7.552789384e+02 1.453038013e+01 1.453038013e+01 1.448509520e+01 1.448509520e+01 1.000503947e+03 1.000503947e+03 1.98 1.224358910e+02 1.224358910e+02 6.054425415e+02 6.054425415e+02 1.113847039e+01 1.113847039e+01 1.109445278e+01 1.109445278e+01 8.044875269e+02 8.044875269e+02 2.00 9.626409956e+01 9.626409956e+01 4.848452685e+02 4.848452685e+02 8.432460716e+00 8.432460716e+00 8.390186766e+00 8.390186766e+00 6.463164010e+02 6.463164010e+02 2.02 7.547448612e+01 7.547448612e+01 3.878044719e+02 3.878044719e+02 6.266616014e+00 6.266616014e+00 6.226689829e+00 6.226689829e+00 5.187336684e+02 5.187336684e+02 2.04 5.897097012e+01 5.897097012e+01 3.097605856e+02 3.097605856e+02 4.527565739e+00 4.527565739e+00 4.490406735e+00 4.490406735e+00 4.158771442e+02 4.158771442e+02 2.06 4.587929925e+01 4.587929925e+01 2.470392171e+02 2.470392171e+02 3.126417269e+00 3.126417269e+00 3.092176203e+00 3.092176203e+00 3.330042964e+02 3.330042964e+02 2.08 3.550113509e+01 3.550113509e+01 1.966700317e+02 1.966700317e+02 1.993144506e+00 1.993144506e+00 1.961797945e+00 1.961797945e+00 2.662722176e+02 2.662722176e+02 2.10 2.727908118e+01 2.727908118e+01 1.562524794e+02 1.562524794e+02 1.072627990e+00 1.072627990e+00 1.044045974e+00 1.044045974e+00 2.125637284e+02 2.125637284e+02 2.12 2.076861337e+01 2.076861337e+01 1.238461723e+02 1.238461723e+02 3.215126056e-01 3.215126056e-01 2.955042979e-01 2.955042979e-01 1.693619870e+02 1.693619870e+02 2.14 1.561555259e+01 1.561555259e+01 9.788549595e+01 9.788549595e+01 -2.942839460e-01 -2.942839460e-01 -3.179487728e-01 -3.179487728e-01 1.346373642e+02 1.346373642e+02 2.16 1.153798898e+01 1.153798898e+01 7.710626744e+01 7.710626744e+01 -8.015501591e-01 -8.015501591e-01 -8.230950892e-01 -8.230950892e-01 1.067519048e+02 1.067519048e+02 2.18 8.311781531e+00 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