# 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 = AuCu # 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 3.866859318e+06 3.866859318e+06 3.859321809e+06 3.859321809e+06 nan nan 0.70 nan nan nan nan 3.434847729e+06 3.434847729e+06 3.427994745e+06 3.427994745e+06 nan nan 0.72 nan nan nan nan 3.050110153e+06 3.050110153e+06 3.043899145e+06 3.043899145e+06 nan nan 0.74 nan nan nan nan 2.706441919e+06 2.706441919e+06 2.700796080e+06 2.700796080e+06 nan nan 0.76 nan nan nan nan 2.398566861e+06 2.398566861e+06 2.393413430e+06 2.393413430e+06 nan nan 0.78 3.953370460e+06 3.953370460e+06 nan nan 2.121975232e+06 2.121975232e+06 2.117285545e+06 2.117285545e+06 nan nan 0.80 3.565937621e+06 3.565937621e+06 nan nan 1.872882336e+06 1.872882336e+06 1.868608900e+06 1.868608900e+06 nan nan 0.82 3.215813266e+06 3.215813266e+06 nan nan 1.647986297e+06 1.647986297e+06 1.644117402e+06 1.644117402e+06 nan nan 0.84 2.898687167e+06 2.898687167e+06 nan nan 1.444506957e+06 1.444506957e+06 1.440965460e+06 1.440965460e+06 nan nan 0.86 2.610822346e+06 2.610822346e+06 3.784274761e+06 3.784274761e+06 1.259989642e+06 1.259989642e+06 1.256722574e+06 1.256722574e+06 nan nan 0.88 2.348947852e+06 2.348947852e+06 3.442186807e+06 3.442186807e+06 1.092280305e+06 1.092280305e+06 1.089287366e+06 1.089287366e+06 3.693333989e+06 3.693333989e+06 0.90 2.110218712e+06 2.110218712e+06 3.130185025e+06 3.130185025e+06 9.395489448e+05 9.395489448e+05 9.368174177e+05 9.368174177e+05 3.364737913e+06 3.364737913e+06 0.92 1.892213238e+06 1.892213238e+06 2.845109779e+06 2.845109779e+06 8.002039689e+05 8.002039689e+05 7.977110967e+05 7.977110967e+05 3.064481059e+06 3.064481059e+06 0.94 1.692753939e+06 1.692753939e+06 2.584160536e+06 2.584160536e+06 6.728571668e+05 6.728571668e+05 6.705711128e+05 6.705711128e+05 2.789607531e+06 2.789607531e+06 0.96 1.509927719e+06 1.509927719e+06 2.344892062e+06 2.344892062e+06 5.562981974e+05 5.562981974e+05 5.541814593e+05 5.541814593e+05 2.537520075e+06 2.537520075e+06 0.98 1.342079457e+06 1.342079457e+06 2.125069046e+06 2.125069046e+06 4.494057236e+05 4.494057236e+05 4.474592737e+05 4.474592737e+05 2.305917641e+06 2.305917641e+06 1.00 1.187705367e+06 1.187705367e+06 1.922797520e+06 1.922797520e+06 3.515354733e+05 3.515354733e+05 3.498100443e+05 3.498100443e+05 2.092785011e+06 2.092785011e+06 1.02 1.045503751e+06 1.045503751e+06 1.736373010e+06 1.736373010e+06 2.684533474e+05 2.684533474e+05 2.670634642e+05 2.670634642e+05 1.896340373e+06 1.896340373e+06 1.04 9.143443287e+05 9.143443287e+05 1.564312110e+06 1.564312110e+06 2.023751228e+05 2.023751228e+05 2.013366362e+05 2.013366362e+05 1.715011847e+06 1.715011847e+06 1.06 7.932101038e+05 7.932101038e+05 1.405300052e+06 1.405300052e+06 1.529846096e+05 1.529846096e+05 1.522205401e+05 1.522205401e+05 1.547411178e+06 1.547411178e+06 1.08 6.811934098e+05 6.811934098e+05 1.258137435e+06 1.258137435e+06 1.159758169e+05 1.159758169e+05 1.154146639e+05 1.154146639e+05 1.392290606e+06 1.392290606e+06 1.10 5.774849954e+05 5.774849954e+05 1.121759479e+06 1.121759479e+06 8.815466841e+04 8.815466841e+04 8.774066273e+04 8.774066273e+04 1.248535061e+06 1.248535061e+06 1.12 4.813307327e+05 4.813307327e+05 9.952441367e+05 9.952441367e+05 6.717782438e+04 6.717782438e+04 6.686851534e+04 6.686851534e+04 1.115135459e+06 1.115135459e+06 1.14 3.920636603e+05 3.920636603e+05 8.777378107e+05 8.777378107e+05 5.131572844e+04 5.131572844e+04 5.108006982e+04 5.108006982e+04 9.911882184e+05 9.911882184e+05 1.16 3.112271558e+05 3.112271558e+05 7.684445478e+05 7.684445478e+05 3.928488950e+04 3.928488950e+04 3.910414863e+04 3.910414863e+04 8.758913279e+05 8.758913279e+05 1.18 2.431544717e+05 2.431544717e+05 6.666712996e+05 6.666712996e+05 3.013218031e+04 3.013218031e+04 2.999573586e+04 2.999573586e+04 7.685253590e+05 7.685253590e+05 1.20 1.894609079e+05 1.894609079e+05 5.718101927e+05 5.718101927e+05 2.315336465e+04 2.315336465e+04 2.305206390e+04 2.305206390e+04 6.684361892e+05 6.684361892e+05 1.22 1.479249344e+05 1.479249344e+05 4.832908894e+05 4.832908894e+05 1.782097966e+04 1.782097966e+04 1.774652462e+04 1.774652462e+04 5.750324737e+05 5.750324737e+05 1.24 1.157095839e+05 1.157095839e+05 4.005973546e+05 4.005973546e+05 1.373796518e+04 1.373796518e+04 1.368350301e+04 1.368350301e+04 4.877861117e+05 4.877861117e+05 1.26 9.066642732e+04 9.066642732e+04 3.242215474e+05 3.242215474e+05 1.060603185e+04 1.060603185e+04 1.056608713e+04 1.056608713e+04 4.062108526e+05 4.062108526e+05 1.28 7.115914013e+04 7.115914013e+04 2.584233653e+05 2.584233653e+05 8.199422288e+03 8.199422288e+03 8.169960624e+03 8.169960624e+03 3.303021603e+05 3.303021603e+05 1.30 5.593568685e+04 5.593568685e+04 2.051028502e+05 2.051028502e+05 6.346834974e+03 6.346834974e+03 6.324896268e+03 6.324896268e+03 2.642162041e+05 2.642162041e+05 1.32 4.403367023e+04 4.403367023e+04 1.630592605e+05 1.630592605e+05 4.918501974e+03 4.918501974e+03 4.901883341e+03 4.901883341e+03 2.104720092e+05 2.104720092e+05 1.34 3.471212343e+04 3.471212343e+04 1.298339614e+05 1.298339614e+05 3.815467075e+03 3.815467075e+03 3.802871141e+03 3.802871141e+03 1.679372630e+05 1.679372630e+05 1.36 2.739589661e+04 2.739589661e+04 1.035311257e+05 1.035311257e+05 2.962669910e+03 2.962669910e+03 2.953079517e+03 2.953079517e+03 1.342006714e+05 1.342006714e+05 1.38 2.164471208e+04 2.164471208e+04 8.266988122e+04 8.266988122e+04 2.302499891e+03 2.302499891e+03 2.295161517e+03 2.295161517e+03 1.073923783e+05 1.073923783e+05 1.40 1.711644357e+04 1.711644357e+04 6.609334824e+04 6.609334824e+04 1.790680550e+03 1.790680550e+03 1.785144194e+03 1.785144194e+03 8.605337365e+04 8.605337365e+04 1.42 1.354649379e+04 1.354649379e+04 5.290288685e+04 5.290288685e+04 1.393570682e+03 1.393570682e+03 1.389445937e+03 1.389445937e+03 6.903860964e+04 6.903860964e+04 1.44 1.072915435e+04 1.072915435e+04 4.239248778e+04 4.239248778e+04 1.085237663e+03 1.085237663e+03 1.082188481e+03 1.082188481e+03 5.544924233e+04 5.544924233e+04 1.46 8.503516958e+03 8.503516958e+03 3.400521442e+04 3.400521442e+04 8.456871598e+02 8.456871598e+02 8.434396695e+02 8.434396695e+02 4.458103337e+04 4.458103337e+04 1.48 6.743714909e+03 6.743714909e+03 2.730127037e+04 2.730127037e+04 6.594213496e+02 6.594213496e+02 6.577540730e+02 6.577540730e+02 3.587791785e+04 3.587791785e+04 1.50 5.351144042e+03 5.351144042e+03 2.193532250e+04 2.193532250e+04 5.144871339e+02 5.144871339e+02 5.132517236e+02 5.132517236e+02 2.889991509e+04 2.889991509e+04 1.52 4.248083396e+03 4.248083396e+03 1.763575548e+04 1.763575548e+04 4.016511709e+02 4.016511709e+02 4.007491877e+02 4.007491877e+02 2.329777075e+04 2.329777075e+04 1.54 3.373407597e+03 3.373407597e+03 1.418754065e+04 1.418754065e+04 3.137620759e+02 3.137620759e+02 3.131136270e+02 3.131136270e+02 1.879472059e+04 1.879472059e+04 1.56 2.679496841e+03 2.679496841e+03 1.141944982e+04 1.141944982e+04 2.452551886e+02 2.452551886e+02 2.448023574e+02 2.448023574e+02 1.517147604e+04 1.517147604e+04 1.58 2.128694672e+03 2.128694672e+03 9.195554162e+03 9.195554162e+03 1.918318752e+02 1.918318752e+02 1.915311653e+02 1.915311653e+02 1.225346849e+04 1.225346849e+04 1.60 1.691128666e+03 1.691128666e+03 7.407735553e+03 7.407735553e+03 1.501590015e+02 1.501590015e+02 1.499715030e+02 1.499715030e+02 9.901481924e+03 9.901481924e+03 1.62 1.343404594e+03 1.343404594e+03 5.969646205e+03 5.969646205e+03 1.176402039e+02 1.176402039e+02 1.175227714e+02 1.175227714e+02 8.004115618e+03 8.004115618e+03 1.64 1.067038010e+03 1.067038010e+03 4.812183562e+03 4.812183562e+03 9.225259954e+01 9.225259954e+01 9.217483212e+01 9.217483212e+01 6.472181660e+03 6.472181660e+03 1.66 8.473609460e+02 8.473609460e+02 3.879930917e+03 3.879930917e+03 7.241826171e+01 7.241826171e+01 7.236138510e+01 7.236138510e+01 5.234619492e+03 5.234619492e+03 1.68 6.727012368e+02 6.727012368e+02 3.128369876e+03 3.128369876e+03 5.690178120e+01 5.690178120e+01 5.685699825e+01 5.685699825e+01 4.234319633e+03 4.234319633e+03 1.70 5.338127003e+02 5.338127003e+02 2.522182193e+03 2.522182193e+03 4.474983536e+01 4.474983536e+01 4.471275437e+01 4.471275437e+01 3.425427870e+03 3.425427870e+03 1.72 4.233693230e+02 4.233693230e+02 2.033184460e+03 2.033184460e+03 3.522206413e+01 3.522206413e+01 3.518966766e+01 3.518966766e+01 2.771044413e+03 2.771044413e+03 1.74 3.355590796e+02 3.355590796e+02 1.638675933e+03 1.638675933e+03 2.774017257e+01 2.774017257e+01 2.770997647e+01 2.770997647e+01 2.241465197e+03 2.241465197e+03 1.76 2.657680190e+02 2.657680190e+02 1.320368906e+03 1.320368906e+03 2.185291584e+01 2.185291584e+01 2.182364441e+01 2.182364441e+01 1.812805637e+03 1.812805637e+03 1.78 2.103111828e+02 2.103111828e+02 1.063499089e+03 1.063499089e+03 1.720715586e+01 1.720715586e+01 1.717853905e+01 1.717853905e+01 1.465802256e+03 1.465802256e+03 1.80 1.662503992e+02 1.662503992e+02 8.561820048e+02 8.561820048e+02 1.352874301e+01 1.352874301e+01 1.350118336e+01 1.350118336e+01 1.184899953e+03 1.184899953e+03 1.82 1.312570475e+02 1.312570475e+02 6.888933758e+02 6.888933758e+02 1.060633743e+01 1.060633743e+01 1.057967918e+01 1.057967918e+01 9.575149668e+02 9.575149668e+02 1.84 1.034802186e+02 1.034802186e+02 5.539392992e+02 5.539392992e+02 8.274932809e+00 8.274932809e+00 8.248983050e+00 8.248983050e+00 7.734196202e+02 7.734196202e+02 1.86 8.144338501e+01 8.144338501e+01 4.451029883e+02 4.451029883e+02 6.405818474e+00 6.405818474e+00 6.380551120e+00 6.380551120e+00 6.243513361e+02 6.243513361e+02 1.88 6.396898201e+01 6.396898201e+01 3.573598149e+02 3.573598149e+02 4.898689522e+00 4.898689522e+00 4.874147034e+00 4.874147034e+00 5.036510190e+02 5.036510190e+02 1.90 5.011398961e+01 5.011398961e+01 2.866309923e+02 2.866309923e+02 3.675307314e+00 3.675307314e+00 3.651611556e+00 3.651611556e+00 4.059456402e+02 4.059456402e+02 1.92 3.913166108e+01 3.913166108e+01 2.296363653e+02 2.296363653e+02 2.675063788e+00 2.675063788e+00 2.652349030e+00 2.652349030e+00 3.268788090e+02 3.268788090e+02 1.94 3.042973741e+01 3.042973741e+01 1.837297447e+02 1.837297447e+02 1.850935845e+00 1.850935845e+00 1.829283139e+00 1.829283139e+00 2.629140835e+02 2.629140835e+02 1.96 2.353636973e+01 2.353636973e+01 1.467599518e+02 1.467599518e+02 1.166363048e+00 1.166363048e+00 1.145814326e+00 1.145814326e+00 2.111934188e+02 2.111934188e+02 1.98 1.807596721e+01 1.807596721e+01 1.170063985e+02 1.170063985e+02 5.929393913e-01 5.929393913e-01 5.735085103e-01 5.735085103e-01 1.693990245e+02 1.693990245e+02 2.00 1.374978362e+01 1.374978362e+01 9.307139009e+01 9.307139009e+01 1.086009458e-01 1.086009458e-01 9.028331331e-02 9.028331331e-02 1.356489112e+02 1.356489112e+02 2.02 1.032025825e+01 1.032025825e+01 7.382505748e+01 7.382505748e+01 -3.037309704e-01 -3.037309704e-01 -3.209638137e-01 -3.209638137e-01 1.084131118e+02 1.084131118e+02 2.04 7.599222262e+00 7.599222262e+00 5.836259861e+01 5.836259861e+01 -6.572907426e-01 -6.572907426e-01 -6.734955781e-01 -6.734955781e-01 8.644735653e+01 8.644735653e+01 2.06 5.436662337e+00 5.436662337e+00 4.595163106e+01 4.595163106e+01 -9.623865757e-01 -9.623865757e-01 -9.776380304e-01 -9.776380304e-01 6.874533341e+01 6.874533341e+01 2.08 3.715244385e+00 3.715244385e+00 3.599904810e+01 3.599904810e+01 -1.227064461e+00 -1.227064461e+00 -1.241447703e+00 -1.241447703e+00 5.448903247e+01 5.448903247e+01 2.10 2.342403544e+00 2.342403544e+00 2.802491071e+01 2.802491071e+01 -1.457623941e+00 -1.457623941e+00 -1.471230449e+00 -1.471230449e+00 4.301498869e+01 4.301498869e+01 2.12 1.244890246e+00 1.244890246e+00 2.164119395e+01 2.164119395e+01 -1.659019974e+00 -1.659019974e+00 -1.671944454e+00 -1.671944454e+00 3.378616635e+01 3.378616635e+01 2.14 3.648392343e-01 3.648392343e-01 1.653448661e+01 1.653448661e+01 -1.835175176e+00 -1.835175176e+00 -1.847507274e+00 -1.847507274e+00 2.636864132e+01 2.636864132e+01 2.16 -3.433800223e-01 -3.433800223e-01 1.245190055e+01 1.245190055e+01 -1.989220676e+00 -1.989220676e+00 -2.001019578e+00 -2.001019578e+00 2.041080901e+01 2.041080901e+01 2.18 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