# 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 = Au3Cu # 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 A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 nan nan nan 0.56 nan nan nan 0.58 nan nan nan 0.60 nan nan nan 0.62 nan nan nan 0.64 nan nan nan 0.66 nan nan nan 0.68 nan nan nan 0.70 nan nan nan 0.72 nan nan nan 0.74 nan nan nan 0.76 nan nan nan 0.78 4.854700928e+06 nan nan 0.80 4.392242249e+06 nan nan 0.82 3.974342979e+06 nan nan 0.84 3.595848725e+06 nan nan 0.86 3.252265551e+06 4.658837662e+06 nan 0.88 2.939690485e+06 4.250604650e+06 4.757913525e+06 0.90 2.654761848e+06 3.878296511e+06 4.351994547e+06 0.92 2.394520431e+06 3.538118001e+06 3.981043104e+06 0.94 2.156408019e+06 3.226720620e+06 3.641445035e+06 0.96 1.938159877e+06 2.941188108e+06 3.329979957e+06 0.98 1.737797066e+06 2.678872540e+06 3.043824155e+06 1.00 1.553556348e+06 2.437493922e+06 2.780471825e+06 1.02 1.383858980e+06 2.215028940e+06 2.537721641e+06 1.04 1.227324200e+06 2.009715516e+06 2.313623771e+06 1.06 1.082736703e+06 1.819975460e+06 2.106481869e+06 1.08 9.490149149e+05 1.644387807e+06 1.914767792e+06 1.10 8.251824186e+05 1.481660922e+06 1.737089379e+06 1.12 7.103819071e+05 1.330684023e+06 1.572190654e+06 1.14 6.038334993e+05 1.190444962e+06 1.418974045e+06 1.16 5.048207218e+05 1.060006670e+06 1.276429286e+06 1.18 4.127012186e+05 9.385484200e+05 1.143672335e+06 1.20 3.274498464e+05 8.253402940e+05 1.019899203e+06 1.22 2.562035532e+05 7.197009268e+05 9.043895402e+05 1.24 2.003576642e+05 6.210294135e+05 7.964833820e+05 1.26 1.569572853e+05 5.287952653e+05 6.955831025e+05 1.28 1.231588952e+05 4.425106155e+05 6.011542284e+05 1.30 9.678122530e+04 3.617083072e+05 5.127075224e+05 1.32 7.615697124e+04 2.896498088e+05 4.297709770e+05 1.34 6.000590030e+04 2.309832791e+05 3.519423444e+05 1.36 4.733836768e+04 1.844546551e+05 2.831880710e+05 1.38 3.738613488e+04 1.475088970e+05 2.272612957e+05 1.40 2.955464505e+04 1.181157274e+05 1.826366721e+05 1.42 2.338459718e+04 9.469633918e+04 1.469682750e+05 1.44 1.851778594e+04 7.600959091e+04 1.184145195e+05 1.46 1.467374922e+04 6.107773806e+04 9.552196209e+04 1.48 1.163446797e+04 4.912854121e+04 7.713795830e+04 1.50 9.229410974e+03 3.955221070e+04 6.235502801e+04 1.52 7.324424527e+03 3.186799357e+04 5.045327461e+04 1.54 5.814417578e+03 2.569581731e+04 4.085983945e+04 1.56 4.616488341e+03 2.073290411e+04 3.311886399e+04 1.58 3.665551813e+03 1.673842590e+04 2.686461044e+04 1.60 2.910424894e+03 1.352093589e+04 2.180464506e+04 1.62 2.310669454e+03 1.092743367e+04 1.770757192e+04 1.64 1.834236708e+03 8.835320834e+03 1.438753648e+04 1.66 1.455688531e+03 7.146110569e+03 1.169492930e+04 1.68 1.154870890e+03 5.780826092e+03 9.509628807e+03 1.70 9.157925310e+02 4.676791988e+03 7.734919149e+03 1.72 7.258062970e+02 3.783767940e+03 6.292757265e+03 1.74 5.748744274e+02 3.061222488e+03 5.120253933e+03 1.76 4.550088171e+02 2.476452292e+03 4.166675513e+03 1.78 3.598456605e+02 2.003091319e+03 3.390909671e+03 1.80 2.843216881e+02 1.619856293e+03 2.759547295e+03 1.82 2.244128422e+02 1.309592553e+03 2.245546053e+03 1.84 1.769101094e+02 1.058421217e+03 1.827050818e+03 1.86 1.392505430e+02 8.551091164e+02 1.486297823e+03 1.88 1.094020010e+02 6.905601562e+02 1.208839911e+03 1.90 8.575718942e+01 5.573669839e+02 9.828198095e+02 1.92 6.703952316e+01 4.495669966e+02 7.986540069e+02 1.94 5.223312111e+01 3.623470422e+02 6.486318899e+02 1.96 4.052852693e+01 2.917936125e+02 5.264611460e+02 1.98 3.128128094e+01 2.347469092e+02 4.270057651e+02 2.00 2.397853230e+01 1.886358537e+02 3.460723606e+02 2.02 1.821191568e+01 1.513690343e+02 2.802342423e+02 2.04 1.365871350e+01 1.212677629e+02 2.266994824e+02 2.06 1.006310652e+01 9.697040385e+01 1.831874649e+02 2.08 7.221757407e+00 7.737083856e+01 1.478392595e+02 2.10 4.974469864e+00 6.157094397e+01 1.191382755e+02 2.12 3.194771214e+00 4.884187892e+01 9.584681206e+01 2.14 1.783219335e+00 3.859254249e+01 7.695207084e+01 2.16 6.614453463e-01 3.034386515e+01 6.162220852e+01 2.18 -2.322682966e-01 2.370759274e+01 4.919180016e+01 2.20 -9.465345871e-01 1.836868778e+01 3.911868743e+01 2.22 -1.519287650e+00 1.407327111e+01 3.096038604e+01 2.24 -1.980183770e+00 1.061760300e+01 2.435565938e+01 2.26 -2.352406383e+00 7.836235391e+00 1.900959546e+01 2.28 -2.654043208e+00 5.596489155e+00 1.468351486e+01 2.30 -2.899181686e+00 3.791899943e+00 1.118327838e+01 2.32 -3.098778542e+00 2.336650257e+00 8.350794188e+00 2.34 -3.261348473e+00 1.161675075e+00 6.057907366e+00 2.36 -3.393508192e+00 2.114839141e-01 4.200880589e+00 2.38 -3.500404987e+00 -5.584302618e-01 2.695656927e+00 2.40 -3.586053237e+00 -1.183701646e+00 1.474224569e+00 2.42 -3.653586691e+00 -1.692808987e+00 4.816373120e-01 2.44 -3.705466997e+00 -2.108471616e+00 -3.264256281e-01 2.46 -3.743660689e+00 -2.448797288e+00 -9.856564365e-01 2.48 -3.769717578e+00 -2.728160996e+00 -1.524751170e+00 2.50 -3.784913580e+00 -2.957965079e+00 -1.966742955e+00 2.52 -3.790314774e+00 -3.147256360e+00 -2.330077961e+00 2.54 -3.786816669e+00 -3.303191607e+00 -2.629521165e+00 2.56 -3.775199967e+00 -3.431441184e+00 -2.876815021e+00 2.58 -3.756169115e+00 -3.536501073e+00 -3.081320169e+00 2.60 -3.730359969e+00 -3.621941143e+00 -3.250517755e+00 2.62 -3.698356073e+00 -3.690589250e+00 -3.390382465e+00 2.64 -3.660700362e+00 -3.744692157e+00 -3.505685090e+00 2.66 -3.617903421e+00 -3.786066260e+00 -3.600237351e+00 2.68 -3.570449160e+00 -3.816185482e+00 -3.677089517e+00 2.70 -3.518798584e+00 -3.836258565e+00 -3.738689448e+00 2.72 -3.463392194e+00 -3.847289792e+00 -3.787010219e+00 2.74 -3.404651410e+00 -3.850126406e+00 -3.823652159e+00 2.76 -3.342979335e+00 -3.845495423e+00 -3.849924134e+00 2.78 -3.278737486e+00 -3.834031981e+00 -3.866908012e+00 2.80 -3.212253498e+00 -3.816301017e+00 -3.875509547e+00 2.82 -3.143870265e+00 -3.792812257e+00 -3.876496885e+00 2.84 -3.073875814e+00 -3.764003752e+00 -3.870501001e+00 2.86 -3.002561714e+00 -3.730297297e+00 -3.858086389e+00 2.88 -2.930216502e+00 -3.692101085e+00 -3.839766249e+00 2.90 -2.857083375e+00 -3.649802108e+00 -3.815963259e+00 2.92 -2.783404217e+00 -3.603769433e+00 -3.787081923e+00 2.94 -2.709416037e+00 -3.554356404e+00 -3.753514927e+00 2.96 -2.635339120e+00 -3.501823250e+00 -3.715631850e+00 2.98 -2.561377375e+00 -3.446408458e+00 -3.673783372e+00 3.00 -2.487718748e+00 -3.388416599e+00 -3.628304260e+00 3.02 -2.414510025e+00 -3.328140054e+00 -3.579515432e+00 3.04 -2.341772139e+00 -3.265859134e+00 -3.527725313e+00 3.06 -2.269627236e+00 -3.201835285e+00 -3.473230693e+00 3.08 -2.198204381e+00 -3.136286274e+00 -3.416317206e+00 3.10 -2.127620326e+00 -3.069448931e+00 -3.357259567e+00 3.12 -2.057980078e+00 -3.001553701e+00 -3.296321632e+00 3.14 -1.989362285e+00 -2.932818870e+00 -3.233756359e+00 3.16 -1.921824210e+00 -2.863450607e+00 -3.169805723e+00 3.18 -1.855439170e+00 -2.793643044e+00 -3.104700606e+00 3.20 -1.790271676e+00 -2.723578405e+00 -3.038660704e+00 3.22 -1.726377549e+00 -2.653427172e+00 -2.971894458e+00 3.24 -1.663804483e+00 -2.583348298e+00 -2.904599026e+00 3.26 -1.602592592e+00 -2.513489464e+00 -2.836938436e+00 3.28 -1.542774943e+00 -2.443987363e+00 -2.768941187e+00 3.30 -1.484378067e+00 -2.374968031e+00 -2.700740878e+00 3.32 -1.427422462e+00 -2.306547194e+00 -2.632487346e+00 3.34 -1.371923057e+00 -2.238830640e+00 -2.564320538e+00 3.36 -1.317889671e+00 -2.171914619e+00 -2.496370739e+00 3.38 -1.265327445e+00 -2.105886243e+00 -2.428758815e+00 3.40 -1.214237246e+00 -2.040823911e+00 -2.361596487e+00 3.42 -1.164616060e+00 -1.976797729e+00 -2.294986630e+00 3.44 -1.116457354e+00 -1.913869936e+00 -2.229023580e+00 3.46 -1.069751422e+00 -1.852071696e+00 -2.163793466e+00 3.48 -1.024485705e+00 -1.791359918e+00 -2.099374545e+00 3.50 -9.806450997e-01 -1.731768040e+00 -2.035837552e+00 3.52 -9.382122345e-01 -1.673332761e+00 -1.973246048e+00 3.54 -8.971677370e-01 -1.616085286e+00 -1.911644061e+00 3.56 -8.574904779e-01 -1.560051674e+00 -1.851065287e+00 3.58 -8.191577983e-01 -1.505253187e+00 -1.791553893e+00 3.60 -7.821457202e-01 -1.451706620e+00 -1.733148424e+00 3.62 -7.464291411e-01 -1.399424621e+00 -1.675882065e+00 3.64 -7.119820131e-01 -1.348416000e+00 -1.619782978e+00 3.66 -6.787775074e-01 -1.298686022e+00 -1.564874615e+00 3.68 -6.467881653e-01 -1.250236689e+00 -1.511176036e+00 3.70 -6.159860368e-01 -1.203067008e+00 -1.458702204e+00 3.72 -5.863428061e-01 -1.157173248e+00 -1.407464278e+00 3.74 -5.578299066e-01 -1.112549177e+00 -1.357469895e+00 3.76 -5.304186252e-01 -1.069186293e+00 -1.308723431e+00 3.78 -5.040801960e-01 -1.027074041e+00 -1.261226258e+00 3.80 -4.787858859e-01 -9.862000154e-01 -1.214976991e+00 3.82 -4.545070702e-01 -9.465501470e-01 -1.169971716e+00 3.84 -4.312153017e-01 -9.081088868e-01 -1.126204207e+00 3.86 -4.088823709e-01 -8.708593710e-01 -1.083666142e+00 3.88 -3.874803605e-01 -8.347835779e-01 -1.042347289e+00 3.90 -3.669816929e-01 -7.998624737e-01 -1.002235701e+00 3.92 -3.473591721e-01 -7.660761477e-01 -9.633178818e-01 3.94 -3.285860204e-01 -7.334039387e-01 -9.255789542e-01 3.96 -3.106359092e-01 -7.018245517e-01 -8.890028121e-01 3.98 -2.934829869e-01 -6.713161651e-01 -8.535722633e-01 4.00 -2.771019007e-01 -6.418565310e-01 -8.192426456e-01 4.02 -2.614678166e-01 -6.134230665e-01 -7.859639027e-01 4.04 -2.465564339e-01 -5.859929380e-01 -7.537181053e-01 4.06 -2.323439985e-01 -5.595431379e-01 -7.224867954e-01 4.08 -2.188073115e-01 -5.340505561e-01 -6.922510035e-01 4.10 -2.059237368e-01 -5.094920432e-01 -6.629913357e-01 4.12 -1.936712053e-01 -4.858444699e-01 -6.346880534e-01 4.14 -1.820282175e-01 -4.630847795e-01 -6.073211474e-01 4.16 -1.709738437e-01 -4.411900360e-01 -5.808704062e-01 4.18 -1.604877233e-01 -4.201374671e-01 -5.553154785e-01 4.20 -1.505500615e-01 -3.999045033e-01 -5.306359304e-01 4.22 -1.411416259e-01 -3.804688119e-01 -5.068112981e-01 4.24 -1.322437409e-01 -3.618083281e-01 -4.838211358e-01 4.26 -1.238382813e-01 -3.439012819e-01 -4.616450591e-01 4.28 -1.159076654e-01 -3.267262221e-01 -4.402627849e-01 4.30 -1.084348467e-01 -3.102620373e-01 -4.196541664e-01 4.32 -1.014033053e-01 -2.944858964e-01 -3.997992261e-01 4.34 -9.479703846e-02 -2.793542860e-01 -3.806781842e-01 4.36 -8.860055115e-02 -2.648415748e-01 -3.622714844e-01 4.38 -8.279884537e-02 -2.509291638e-01 -3.445598170e-01 4.40 -7.737740981e-02 -2.375988420e-01 -3.275241390e-01 4.42 -7.232220896e-02 -2.248327918e-01 -3.111456921e-01 4.44 -6.761967203e-02 -2.126135937e-01 -2.954060180e-01 4.46 -6.325407072e-02 -2.009242294e-01 -2.802869715e-01 4.48 -5.916887773e-02 -1.897480832e-01 -2.657707328e-01 4.50 -5.533792765e-02 -1.790689430e-01 -2.518398160e-01 4.52 -5.175162058e-02 -1.688709994e-01 -2.384770780e-01 4.54 -4.840069711e-02 -1.591388448e-01 -2.256657242e-01 4.56 -4.527622607e-02 -1.498574706e-01 -2.133893140e-01 4.58 -4.236959480e-02 -1.410122647e-01 -2.016317642e-01 4.60 -3.967166586e-02 -1.325890074e-01 -1.903773518e-01 4.62 -3.713187206e-02 -1.245738674e-01 -1.796107153e-01 4.64 -3.472068797e-02 -1.169533967e-01 -1.693168553e-01 4.66 -3.243345119e-02 -1.097145254e-01 -1.594811344e-01 4.68 -3.026548385e-02 -1.028445561e-01 -1.500892753e-01 4.70 -2.821248453e-02 -9.633115794e-02 -1.411273596e-01 4.72 -2.627038011e-02 -9.016235975e-02 -1.325818251e-01 4.74 -2.443520252e-02 -8.432654391e-02 -1.244394625e-01 4.76 -2.270305459e-02 -7.881243935e-02 -1.166874118e-01 4.78 -2.106998930e-02 -7.360911448e-02 -1.093131585e-01 4.80 -1.953242204e-02 -6.870597092e-02 -1.023045285e-01 4.82 -1.808691297e-02 -6.409273456e-02 -9.564968391e-02 4.84 -1.673012447e-02 -5.975944841e-02 -8.933711738e-02 4.86 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