# 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 = Au # 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 A1--Cu--fcc A15--beta-W A2--W--bcc A3'--alpha-La--d A3--Mg--hcp A4--C--dc A5--beta-Sn A6--In--bct A7--alpha-As Ah--alpha-Po--sc 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 5.721902661e+06 nan nan nan nan 0.70 nan nan nan nan nan 5.116683565e+06 nan nan nan nan 0.72 nan nan nan nan nan 4.577660103e+06 nan nan 5.485636815e+06 nan 0.74 nan nan nan nan nan 4.096175941e+06 nan nan 4.929221095e+06 nan 0.76 nan nan nan nan nan 3.664833999e+06 nan nan 4.430571826e+06 nan 0.78 nan 5.833429080e+06 nan nan nan 3.277347667e+06 nan nan 3.982482700e+06 5.841486337e+06 0.80 nan 5.290507018e+06 nan nan nan 2.928399845e+06 5.391910368e+06 nan 3.578804658e+06 5.298715318e+06 0.82 nan 4.799883592e+06 nan nan nan 2.613343549e+06 4.894337348e+06 nan 3.214240837e+06 4.808197785e+06 0.84 nan 4.355506049e+06 nan nan nan 2.328241831e+06 4.443628859e+06 nan 2.884234359e+06 4.363905054e+06 0.86 nan 3.952123947e+06 5.603398468e+06 nan nan 2.069666498e+06 4.034443931e+06 5.793534939e+06 2.584808798e+06 3.960601203e+06 0.88 5.719444796e+06 3.585144562e+06 5.124120414e+06 5.719432016e+06 5.719450691e+06 1.834642453e+06 3.662177893e+06 5.301404684e+06 2.312563056e+06 3.593737011e+06 0.90 5.242886439e+06 3.250605456e+06 4.687035669e+06 5.242911664e+06 5.242934491e+06 1.620624146e+06 3.322829397e+06 4.852583996e+06 2.064566338e+06 3.259304875e+06 0.92 4.807394380e+06 2.945053390e+06 4.287664048e+06 4.807450276e+06 4.807472462e+06 1.425360257e+06 3.012914274e+06 4.442469813e+06 1.838229848e+06 2.953852370e+06 0.94 4.408704150e+06 2.665483270e+06 3.922062211e+06 4.408742412e+06 4.408760146e+06 1.246913444e+06 2.729327800e+06 4.067029936e+06 1.631290750e+06 2.674361343e+06 0.96 4.043013884e+06 2.409224561e+06 3.586811264e+06 4.043020470e+06 4.043029813e+06 1.083584156e+06 2.469382502e+06 3.722691907e+06 1.441764939e+06 2.418185335e+06 0.98 3.707034225e+06 2.173946726e+06 3.278824587e+06 3.707013025e+06 3.707018623e+06 9.338018950e+05 2.230701877e+06 3.406350690e+06 1.267904129e+06 2.182977716e+06 1.00 3.397825602e+06 1.957588860e+06 2.995407176e+06 3.397808301e+06 3.397817335e+06 7.962171485e+05 2.011212967e+06 3.115244074e+06 1.108149698e+06 1.966658366e+06 1.02 3.112815650e+06 1.758325586e+06 2.734195809e+06 3.112828044e+06 3.112851141e+06 6.696439756e+05 1.809048384e+06 2.846954686e+06 9.611247751e+05 1.767423007e+06 1.04 2.849704421e+06 1.574527886e+06 2.493128746e+06 2.849755180e+06 2.849784428e+06 5.530490253e+05 1.622558978e+06 2.599339537e+06 8.256241834e+05 1.583690085e+06 1.06 2.606502262e+06 1.404766975e+06 2.270347444e+06 2.606563171e+06 2.606588241e+06 4.454980051e+05 1.450305993e+06 2.370492680e+06 7.005817211e+05 1.413998751e+06 1.08 2.381415197e+06 1.247761613e+06 2.064196515e+06 2.381454335e+06 2.381474481e+06 3.462003284e+05 1.290991592e+06 2.158697541e+06 5.850380122e+05 1.257047757e+06 1.10 2.172800920e+06 1.102361799e+06 1.873138557e+06 2.172810431e+06 2.172823070e+06 2.639560695e+05 1.143459561e+06 1.962414757e+06 4.781451596e+05 1.111715994e+06 1.12 1.979184348e+06 9.675552696e+05 1.695860023e+06 1.979169599e+06 1.979175619e+06 2.017746732e+05 1.006671321e+06 1.780267855e+06 3.791399766e+05 9.769656176e+05 1.14 1.799273331e+06 8.424219357e+05 1.531176491e+06 1.799241803e+06 1.799245720e+06 1.546244550e+05 8.797070198e+05 1.611027593e+06 2.916095930e+05 8.518537826e+05 1.16 1.631882498e+06 7.261307193e+05 1.377997914e+06 1.631870030e+06 1.631878218e+06 1.187656307e+05 7.617119996e+05 1.453599568e+06 2.243144443e+05 7.355614453e+05 1.18 1.475989025e+06 6.179348572e+05 1.235366183e+06 1.476006184e+06 1.476020309e+06 9.141650658e+04 6.519175633e+05 1.307013416e+06 1.729180989e+05 6.273556943e+05 1.20 1.330645721e+06 5.171656736e+05 1.102419100e+06 1.330688411e+06 1.330709931e+06 7.050780994e+04 5.496357575e+05 1.170381763e+06 1.335631228e+05 5.265881042e+05 1.22 1.195005357e+06 4.232369262e+05 9.783565193e+05 1.195059317e+06 1.195089221e+06 5.448550379e+04 4.542703036e+05 1.042889102e+06 1.033566184e+05 4.326618562e+05 1.24 1.068301387e+06 3.358634878e+05 8.624868164e+05 1.068351451e+06 1.068383169e+06 4.218091527e+04 3.652744352e+05 9.238115953e+05 8.011986772e+04 3.450735597e+05 1.26 9.498246037e+05 2.634835849e+05 7.541839707e+05 9.498624286e+05 9.498893480e+05 3.271212147e+04 2.871271556e+05 8.124891991e+05 6.220631407e+04 2.711709128e+05 1.28 8.389445571e+05 2.070578866e+05 6.528711119e+05 8.389634846e+05 8.389825897e+05 2.541108391e+04 2.259780468e+05 7.083221503e+05 4.836862183e+04 2.134781148e+05 1.30 7.350867973e+05 1.629732281e+05 5.579890819e+05 7.350822546e+05 7.350935875e+05 1.976896939e+04 1.781480874e+05 6.107615730e+05 3.765880800e+04 1.683447477e+05 1.32 6.377002714e+05 1.284610729e+05 4.690509096e+05 6.376866756e+05 6.376935794e+05 1.540019063e+04 1.406604071e+05 5.192976603e+05 2.935514025e+04 1.329638853e+05 1.34 5.463085635e+05 1.013975753e+05 3.856086988e+05 5.462960863e+05 5.462998246e+05 1.201065633e+04 1.112253081e+05 4.334808757e+05 2.290750153e+04 1.051756662e+05 1.36 4.604731869e+05 8.014057600e+04 3.093213789e+05 4.604654722e+05 4.604670832e+05 9.377414502e+03 8.807140027e+04 3.528977207e+05 1.789439864e+04 8.330804725e+04 1.38 3.797972128e+05 6.341394057e+04 2.476852106e+05 3.797935798e+05 3.797950261e+05 7.328957171e+03 6.982667926e+04 2.828692884e+05 1.399129707e+04 6.607007176e+04 1.40 3.062729978e+05 5.023166264e+04 1.985972437e+05 3.062797382e+05 3.062848506e+05 5.733107976e+03 5.542660756e+04 2.270556489e+05 1.094887796e+04 5.245674059e+04 1.42 2.467661156e+05 3.982933226e+04 1.594419764e+05 2.467816654e+05 2.467922508e+05 4.488550130e+03 4.404193846e+04 1.824975789e+05 8.574673172e+03 4.169153999e+04 1.44 1.990848948e+05 3.161012021e+04 1.281622017e+05 1.991062677e+05 1.991209027e+05 3.516933025e+03 3.502795960e+04 1.468705861e+05 6.719621790e+03 3.316765951e+04 1.46 1.608210544e+05 2.510648558e+04 1.031388927e+05 1.608418819e+05 1.608570800e+05 2.757742883e+03 2.788183976e+04 1.183410336e+05 5.268791150e+03 2.641060207e+04 1.48 1.300610352e+05 1.995440075e+04 8.309326946e+04 1.300818339e+05 1.300965474e+05 2.164063454e+03 2.221051594e+04 9.545894068e+04 4.133218625e+03 2.104826298e+04 1.50 1.052981078e+05 1.586939176e+04 6.701087587e+04 1.053172437e+05 1.053301555e+05 1.699438974e+03 1.770520722e+04 7.708150313e+04 3.243766775e+03 1.678833700e+04 1.52 8.533814931e+04 1.262779307e+04 5.409018092e+04 8.535352217e+04 8.536386192e+04 1.335492744e+03 1.412285803e+04 6.230296541e+04 2.546608706e+03 1.340018683e+04 1.54 6.923028508e+04 1.005344612e+04 4.369820266e+04 6.924023146e+04 6.924774318e+04 1.050230503e+03 1.127147635e+04 5.040324802e+04 1.999798321e+03 1.070176270e+04 1.56 5.621613272e+04 8.006917635e+03 3.533050834e+04 5.621916518e+04 5.622390697e+04 8.264591097e+02 9.000122147e+03 4.081002349e+04 1.570729027e+03 8.551041551e+03 1.58 4.568646867e+04 6.378561240e+03 2.858525325e+04 4.568432042e+04 4.568681576e+04 6.507762224e+02 7.189441540e+03 3.306656546e+04 1.233940791e+03 6.835426063e+03 1.60 3.715478309e+04 5.082261545e+03 2.314308051e+04 3.715102312e+04 3.715204309e+04 5.127913360e+02 5.744953403e+03 2.680928511e+04 9.694630123e+02 5.465793624e+03 1.62 3.023597771e+04 4.049917789e+03 1.874861371e+04 3.023240096e+04 3.023248721e+04 4.043715596e+02 4.591933757e+03 2.174870512e+04 7.617056594e+02 4.371833186e+03 1.64 2.462012722e+04 3.227490471e+03 1.519700769e+04 2.461745722e+04 2.461709079e+04 3.191467546e+02 3.671063497e+03 1.765227842e+04 5.984819354e+02 3.497643254e+03 1.66 2.005750591e+04 2.572065506e+03 1.232346430e+04 2.005635289e+04 2.005600526e+04 2.521170384e+02 2.935077109e+03 1.433398482e+04 4.702297351e+02 2.798740272e+03 1.68 1.634803497e+04 2.049578765e+03 9.996004059e+03 1.634801880e+04 1.634776085e+04 1.993464709e+02 2.346630495e+03 1.164394912e+04 3.694294421e+02 2.239799755e+03 1.70 1.333027132e+04 1.632897448e+03 8.109884321e+03 1.333086767e+04 1.333071463e+04 1.577817076e+02 1.876073465e+03 9.461731340e+03 2.902041108e+02 1.792673172e+03 1.72 1.087332076e+04 1.300527984e+03 6.580805928e+03 1.087432361e+04 1.087433432e+04 1.250265524e+02 1.499747699e+03 7.690401827e+03 2.279444661e+02 1.434814393e+03 1.74 8.871699835e+03 1.035427805e+03 5.340671250e+03 8.873029550e+03 8.873253917e+03 9.919414766e+01 1.198764885e+03 6.251927621e+03 1.790216134e+02 1.148316266e+03 1.76 7.240297874e+03 8.240178602e+02 4.334463328e+03 7.241823459e+03 7.242271390e+03 7.880050905e+01 9.580327439e+02 5.083329993e+03 1.405748794e+02 9.189391672e+02 1.78 5.910101861e+03 6.554609015e+02 3.517866710e+03 5.911559409e+03 5.912216588e+03 6.268538675e+01 7.654689254e+02 4.133602995e+03 1.103565331e+02 7.352936810e+02 1.80 4.824924126e+03 5.211055637e+02 2.855029042e+03 4.826224590e+03 4.827063245e+03 4.993591459e+01 6.114319680e+02 3.361413118e+03 8.660382831e+01 5.882298070e+02 1.82 3.939213617e+03 4.140440620e+02 2.316923575e+03 3.940376795e+03 3.941345954e+03 3.983387476e+01 4.882307442e+02 2.733368906e+03 6.792972263e+01 4.704415600e+02 1.84 3.216149590e+03 3.287521786e+02 1.880036144e+03 3.217092742e+03 3.218049694e+03 3.181434601e+01 3.896908992e+02 2.222466038e+03 5.324528300e+01 3.761188735e+02 1.86 2.625760643e+03 2.608076360e+02 1.525308142e+03 2.626433808e+03 2.627278400e+03 2.543313152e+01 3.108771136e+02 1.806795516e+03 4.169342259e+01 3.006025202e+02 1.88 2.143632321e+03 2.067001357e+02 1.237282477e+03 2.144027142e+03 2.144708177e+03 2.034105842e+01 2.478589585e+02 1.468587384e+03 3.259976167e+01 2.401551780e+02 1.90 1.749724058e+03 1.636273919e+02 1.003335007e+03 1.749930930e+03 1.750454036e+03 1.626251990e+01 1.974821850e+02 1.193336276e+03 2.543362724e+01 1.917576233e+02 1.92 1.427829413e+03 1.293550408e+02 8.132986804e+02 1.427946898e+03 1.428336320e+03 1.298245232e+01 1.572173659e+02 9.693325842e+02 1.977799104e+01 1.530095931e+02 1.94 1.164806259e+03 1.020995757e+02 6.589639593e+02 1.164896447e+03 1.165174447e+03 1.033268769e+01 1.250437359e+02 7.870658716e+02 1.530642200e+01 1.219975180e+02 1.96 9.499146122e+02 8.043523428e+01 5.336543555e+02 9.500087192e+02 9.501952563e+02 8.181081070e+00 9.933926453e+01 6.387901725e+02 1.176256355e+01 9.718420802e+01 1.98 7.743750914e+02 6.322278529e+01 4.319393149e+02 7.744609493e+02 7.745735735e+02 6.423857297e+00 7.880779026e+01 5.181953793e+02 8.945477335e+00 7.733523939e+01 2.00 6.310074607e+02 4.955194241e+01 3.493965581e+02 6.310751184e+02 6.311299497e+02 4.979462394e+00 6.240886800e+01 4.201394068e+02 6.698260310e+00 6.145913560e+01 2.02 5.139320527e+02 3.869423980e+01 2.824092637e+02 5.139820843e+02 5.139976178e+02 3.783554178e+00 4.931278391e+01 3.404285893e+02 4.898125007e+00 4.875808931e+01 2.04 4.183517095e+02 3.007208288e+01 2.280654998e+02 4.183863594e+02 4.183768491e+02 2.786393928e+00 3.885599999e+01 2.756514424e+02 3.449090244e+00 3.859620093e+01 2.06 3.403434387e+02 2.322534944e+01 1.839990682e+02 3.403650238e+02 3.403405535e+02 1.948995479e+00 3.050661764e+01 2.230248010e+02 2.276218360e+00 3.046410730e+01 2.08 2.766971708e+02 1.778620709e+01 1.482829430e+02 2.767079257e+02 2.766755018e+02 1.240702743e+00 2.383837474e+01 1.802743883e+02 1.321067949e+00 2.395353050e+01 2.10 2.247862375e+02 1.346293555e+01 1.193481357e+02 2.247845949e+02 2.247489715e+02 6.374057031e-01 1.851007661e+01 1.455594441e+02 5.380518598e-01 1.873748386e+01 2.12 1.824614816e+02 1.002306745e+01 9.591755398e+01 1.824451164e+02 1.824094143e+02 1.201307749e-01 1.424948440e+01 1.173739675e+02 -1.082643964e-01 1.455431855e+01 2.14 1.479578631e+02 7.283489814e+00 7.695206850e+01 1.479293424e+02 1.478963607e+02 -3.260715883e-01 1.083912080e+01 9.449448776e+01 -6.454481278e-01 1.119486802e+01 2.16 1.198181032e+02 5.098926101e+00 6.160652705e+01 1.197885541e+02 1.197626510e+02 -7.130034853e-01 8.105436362e+00 7.592851147e+01 -1.094822509e+00 8.492091772e+00 2.18 9.687856728e+01 3.354018867e+00 4.919387438e+01 9.685517300e+01 9.683856624e+01 -1.050009228e+00 5.910102885e+00 6.087041072e+01 -1.472988560e+00 6.312735225e+00 2.20 7.818807860e+01 1.957311854e+00 3.915292023e+01 7.817315335e+01 7.816509814e+01 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