# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cu-Ni # implementation = 2025--Sharifi-H--Cu-Ni--LAMMPS--ipr1 # NOTE: These values only provide a look at the purely pair interaction # of the potential and therefore exclude multi-body interactions. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2025-07-01 r Cu Cu Cu Ni Ni Ni 0.02 4.954943043e+05 4.788443024e+05 4.627988409e+05 0.04 2.067715918e+05 1.999800249e+05 1.934542832e+05 0.06 1.175313404e+05 1.137523206e+05 1.101353242e+05 0.08 7.618510859e+04 7.378672299e+04 7.150221648e+04 0.10 5.320232879e+04 5.156343196e+04 5.001136161e+04 0.12 3.899033190e+04 3.781621181e+04 3.671185755e+04 0.14 2.956217573e+04 2.869304123e+04 2.788203775e+04 0.16 2.298867779e+04 2.232971480e+04 2.172048195e+04 0.18 1.823308975e+04 1.772426860e+04 1.725883939e+04 0.20 1.469336997e+04 1.429479388e+04 1.393465691e+04 0.22 1.199838587e+04 1.168253007e+04 1.140112974e+04 0.24 9.908314076e+03 9.655621288e+03 9.434101450e+03 0.26 8.262186709e+03 8.058426441e+03 7.883078369e+03 0.28 6.948548224e+03 6.783161326e+03 6.643823836e+03 0.30 5.888216958e+03 5.753238626e+03 5.642257180e+03 0.32 5.023710898e+03 4.913048328e+03 4.824576857e+03 0.34 4.312525978e+03 4.221461349e+03 4.150981824e+03 0.36 3.722734097e+03 3.647574978e+03 3.591559458e+03 0.38 3.230018814e+03 3.167847704e+03 3.123516198e+03 0.40 2.815634660e+03 2.764126630e+03 2.729270784e+03 0.42 2.464974559e+03 2.422262565e+03 2.395115433e+03 0.44 2.166544845e+03 2.131119032e+03 2.110257711e+03 0.46 1.911221691e+03 1.881853247e+03 1.866125251e+03 0.48 1.691704041e+03 1.667387034e+03 1.655854062e+03 0.50 1.502105674e+03 1.482012223e+03 1.473906825e+03 0.52 1.337648283e+03 1.321093710e+03 1.315785606e+03 0.54 1.194427931e+03 1.180843459e+03 1.177813160e+03 0.56 1.069235663e+03 1.058146875e+03 1.056964878e+03 0.58 9.594188230e+02 9.504285457e+02 9.507388162e+02 0.60 8.627727970e+02 8.555474180e+02 8.570541847e+02 0.62 7.774559690e+02 7.717144304e+02 7.741715794e+02 0.64 7.019225457e+02 6.974274403e+02 7.006299394e+02 0.66 6.348690383e+02 6.314193688e+02 6.351963020e+02 0.68 5.751914621e+02 5.726167215e+02 5.768256025e+02 0.70 5.219509113e+02 5.201062200e+02 5.246283262e+02 0.72 4.743456724e+02 4.731077646e+02 4.778442944e+02 0.74 4.316885815e+02 4.309524784e+02 4.358213702e+02 0.76 3.933885230e+02 3.930647630e+02 3.979980540e+02 0.78 3.589352330e+02 3.589475566e+02 3.638891798e+02 0.80 3.278867924e+02 3.281701996e+02 3.330741409e+02 0.82 2.998592632e+02 3.003583782e+02 3.051871291e+02 0.84 2.745180749e+02 2.751866121e+02 2.799090185e+02 0.86 2.515708458e+02 2.531268989e+02 2.569606004e+02 0.88 2.307613616e+02 2.369189433e+02 2.360969052e+02 0.90 2.118645162e+02 2.248110296e+02 2.171024320e+02 0.92 1.946820473e+02 2.150933386e+02 1.997871246e+02 0.94 1.790389199e+02 2.066095595e+02 1.839829582e+02 0.96 1.647802584e+02 1.986098460e+02 1.695410437e+02 0.98 1.517687326e+02 1.906378959e+02 1.563291582e+02 1.00 1.398823195e+02 1.824451825e+02 1.442296309e+02 1.02 1.290123884e+02 1.739264522e+02 1.331250128e+02 1.04 1.190620447e+02 1.650716574e+02 1.227064231e+02 1.06 1.098778159e+02 1.559306336e+02 1.128558849e+02 1.08 1.006654129e+02 1.465875622e+02 1.035530988e+02 1.10 9.146379971e+01 1.371428777e+02 9.478192872e+01 1.12 8.251005063e+01 1.277008207e+02 8.652852875e+01 1.14 7.396440465e+01 1.183612026e+02 7.878000427e+01 1.16 6.592898332e+01 1.092142876e+02 7.152347279e+01 1.18 5.846237608e+01 1.003379385e+02 6.474544683e+01 1.20 5.159102094e+01 9.179637201e+01 5.843146989e+01 1.22 4.531804184e+01 8.364003328e+01 5.256594699e+01 1.24 3.963006341e+01 7.590621004e+01 4.713211923e+01 1.26 3.450243739e+01 6.862011275e+01 4.211214161e+01 1.28 2.990321313e+01 6.179621715e+01 3.748723073e+01 1.30 2.579612199e+01 5.543971939e+01 3.323785540e+01 1.32 2.214279285e+01 4.954800667e+01 2.934394994e+01 1.34 1.890436756e+01 4.411207031e+01 2.578513409e+01 1.36 1.604265299e+01 3.911781809e+01 2.254092813e+01 1.38 1.352091593e+01 3.454726168e+01 1.959095496e+01 1.40 1.130440623e+01 3.037956468e+01 1.691512357e+01 1.42 9.360675047e+00 2.659194987e+01 1.449379077e+01 1.44 7.659739491e+00 2.316046943e+01 1.230789933e+01 1.46 6.174135775e+00 2.006064561e+01 1.033909233e+01 1.48 4.878891588e+00 1.726799332e+01 8.569804248e+00 1.50 3.751442094e+00 1.475843629e+01 6.983329915e+00 1.52 2.771509060e+00 1.250862984e+01 5.563873368e+00 1.54 1.920956091e+00 1.049620240e+01 4.296578166e+00 1.56 1.183631264e+00 8.699927893e+00 3.167541537e+00 1.58 5.452050601e-01 7.099840229e+00 2.163814621e+00 1.60 -6.991532406e-03 5.677299571e+00 1.273390540e+00 1.62 -4.841239578e-01 4.415019805e+00 4.851827098e-01 1.64 -8.960037601e-01 3.297065089e+00 -2.110048446e-01 1.66 -1.251229513e+00 2.308821976e+00 -8.245136511e-01 1.68 -1.557317467e+00 1.436953636e+00 -1.363871482e+00 1.70 -1.820821962e+00 6.693406577e-01 -1.836836508e+00 1.72 -2.047445458e+00 -4.987369209e-03 -2.250443662e+00 1.74 -2.242138160e+00 -5.959257183e-01 -2.611051967e+00 1.76 -2.409188076e+00 -1.112371627e+00 -2.924392267e+00 1.78 -2.552301787e+00 -1.562302107e+00 -3.195614473e+00 1.80 -2.674676553e+00 -1.952850732e+00 -3.429333743e+00 1.82 -2.779064578e+00 -2.290384976e+00 -3.629675025e+00 1.84 -2.867828641e+00 -2.580608481e+00 -3.800315739e+00 1.86 -2.942992938e+00 -2.828657808e+00 -3.944526367e+00 1.88 -3.006289148e+00 -3.039159492e+00 -4.065208808e+00 1.90 -3.059195460e+00 -3.216278167e+00 -4.164932226e+00 1.92 -3.102970808e+00 -3.363760306e+00 -4.245966471e+00 1.94 -3.138684849e+00 -3.484973944e+00 -4.310313064e+00 1.96 -3.167244128e+00 -3.582944655e+00 -4.359733686e+00 1.98 -3.189414935e+00 -3.660388280e+00 -4.395776385e+00 2.00 -3.205843216e+00 -3.719740602e+00 -4.419799502e+00 2.02 -3.217071860e+00 -3.763184243e+00 -4.432996272e+00 2.04 -3.223555765e+00 -3.792673138e+00 -4.436437131e+00 2.06 -3.225674884e+00 -3.809954689e+00 -4.431100446e+00 2.08 -3.223747986e+00 -3.816589867e+00 -4.417881444e+00 2.10 -3.218060140e+00 -3.813971481e+00 -4.397599060e+00 2.12 -3.208880312e+00 -3.803340702e+00 -4.371002213e+00 2.14 -3.196463067e+00 -3.785802069e+00 -4.338775575e+00 2.16 -3.181049242e+00 -3.762337096e+00 -4.301544884e+00 2.18 -3.162866597e+00 -3.733816577e+00 -4.259881798e+00 2.20 -3.142130428e+00 -3.701011766e+00 -4.214308381e+00 2.22 -3.119044162e+00 -3.664604481e+00 -4.165301200e+00 2.24 -3.093799923e+00 -3.625196253e+00 -4.113295100e+00 2.26 -3.066579069e+00 -3.583316622e+00 -4.058686664e+00 2.28 -3.037552713e+00 -3.539430530e+00 -4.001837390e+00 2.30 -3.006882211e+00 -3.493909991e+00 -3.943076599e+00 2.32 -2.974719632e+00 -3.446998796e+00 -3.882704111e+00 2.34 -2.941208209e+00 -3.398905055e+00 -3.820992693e+00 2.36 -2.906482761e+00 -3.349817944e+00 -3.758190304e+00 2.38 -2.870670103e+00 -3.299909327e+00 -3.694522150e+00 2.40 -2.833889425e+00 -3.249335242e+00 -3.630192574e+00 2.42 -2.796252669e+00 -3.198237262e+00 -3.565386782e+00 2.44 -2.757864871e+00 -3.146743751e+00 -3.500272426e+00 2.46 -2.718824496e+00 -3.094970997e+00 -3.435001060e+00 2.48 -2.679223756e+00 -3.043024267e+00 -3.369709467e+00 2.50 -2.639148909e+00 -2.990998768e+00 -3.304520680e+00 2.52 -2.598680549e+00 -2.938980516e+00 -3.239540871e+00 2.54 -2.557893879e+00 -2.887047152e+00 -3.174861427e+00 2.56 -2.516858972e+00 -2.835268670e+00 -3.110564697e+00 2.58 -2.475642308e+00 -2.783708095e+00 -3.046724868e+00 2.60 -2.434310160e+00 -2.732422098e+00 -2.983408594e+00 2.62 -2.392924399e+00 -2.681461555e+00 -2.920675564e+00 2.64 -2.351541571e+00 -2.630872068e+00 -2.858579042e+00 2.66 -2.310213259e+00 -2.580694428e+00 -2.797166355e+00 2.68 -2.268986419e+00 -2.530965045e+00 -2.736479359e+00 2.70 -2.227903696e+00 -2.481716340e+00 -2.676554860e+00 2.72 -2.187003729e+00 -2.432977098e+00 -2.617425017e+00 2.74 -2.146321435e+00 -2.384772788e+00 -2.559117705e+00 2.76 -2.105888286e+00 -2.337125865e+00 -2.501656861e+00 2.78 -2.065732565e+00 -2.290056030e+00 -2.445062804e+00 2.80 -2.025879617e+00 -2.243580474e+00 -2.389352528e+00 2.82 -1.986352083e+00 -2.197714100e+00 -2.334539981e+00 2.84 -1.947170131e+00 -2.152469721e+00 -2.280636320e+00 2.86 -1.908351666e+00 -2.107858241e+00 -2.227650148e+00 2.88 -1.869912540e+00 -2.063888819e+00 -2.175587736e+00 2.90 -1.831866744e+00 -2.020569020e+00 -2.124453228e+00 2.92 -1.794226593e+00 -1.977904948e+00 -2.074248831e+00 2.94 -1.757002905e+00 -1.935901367e+00 -2.024974989e+00 2.96 -1.720205160e+00 -1.894561816e+00 -1.976630551e+00 2.98 -1.683841654e+00 -1.853888709e+00 -1.929212918e+00 3.00 -1.647919645e+00 -1.813883427e+00 -1.882718183e+00 3.02 -1.612445484e+00 -1.774546401e+00 -1.837141261e+00 3.04 -1.577424731e+00 -1.735877189e+00 -1.792476008e+00 3.06 -1.542862270e+00 -1.697874550e+00 -1.748715329e+00 3.08 -1.508762403e+00 -1.660536503e+00 -1.705851280e+00 3.10 -1.475128939e+00 -1.623860391e+00 -1.663875163e+00 3.12 -1.441965267e+00 -1.587842934e+00 -1.622777608e+00 3.14 -1.409274425e+00 -1.552480279e+00 -1.582548653e+00 3.16 -1.377059150e+00 -1.517768047e+00 -1.543177817e+00 3.18 -1.345321924e+00 -1.483701382e+00 -1.504654165e+00 3.20 -1.314065008e+00 -1.450274981e+00 -1.466966368e+00 3.22 -1.283290469e+00 -1.417483145e+00 -1.430102760e+00 3.24 -1.253000198e+00 -1.385319803e+00 -1.394051389e+00 3.26 -1.223195915e+00 -1.353778554e+00 -1.358800059e+00 3.28 -1.193879181e+00 -1.322852694e+00 -1.324336378e+00 3.30 -1.165051387e+00 -1.292535247e+00 -1.290647792e+00 3.32 -1.136713752e+00 -1.262818993e+00 -1.257721624e+00 3.34 -1.108867309e+00 -1.233696492e+00 -1.225545102e+00 3.36 -1.081512893e+00 -1.205160114e+00 -1.194105390e+00 3.38 -1.054651123e+00 -1.177202057e+00 -1.163389613e+00 3.40 -1.028282380e+00 -1.149814373e+00 -1.133384883e+00 3.42 -1.002406796e+00 -1.122988984e+00 -1.104078320e+00 3.44 -9.770242268e-01 -1.096717707e+00 -1.075457068e+00 3.46 -9.521342383e-01 -1.070992270e+00 -1.047508319e+00 3.48 -9.277360873e-01 -1.045804328e+00 -1.020219323e+00 3.50 -9.038287062e-01 -1.021145482e+00 -9.935774036e-01 3.52 -8.804106895e-01 -9.970072924e-01 -9.675699743e-01 3.54 -8.574802820e-01 -9.733812934e-01 -9.421845458e-01 3.56 -8.350353699e-01 -9.502590069e-01 -9.174087381e-01 3.58 -8.130734754e-01 -9.276319546e-01 -8.932302893e-01 3.60 -7.915917525e-01 -9.054916696e-01 -8.696370638e-01 3.62 -7.705869873e-01 -8.838297070e-01 -8.466170594e-01 3.64 -7.500555998e-01 -8.626376539e-01 -8.241584136e-01 3.66 -7.299936492e-01 -8.419071383e-01 -8.022494090e-01 3.68 -7.103968414e-01 -8.216298377e-01 -7.808784784e-01 3.70 -6.912605386e-01 -8.017974867e-01 -7.600342087e-01 3.72 -6.725797721e-01 -7.824018837e-01 -7.397053447e-01 3.74 -6.543492556e-01 -7.634348978e-01 -7.198807919e-01 3.76 -6.365634017e-01 -7.448884739e-01 -7.005496190e-01 3.78 -6.192163387e-01 -7.267546383e-01 -6.817010604e-01 3.80 -6.023019291e-01 -7.090255030e-01 -6.633245172e-01 3.82 -5.858137893e-01 -6.916932700e-01 -6.454095591e-01 3.84 -5.697453097e-01 -6.747502351e-01 -6.279459249e-01 3.86 -5.540896752e-01 -6.581887903e-01 -6.109235234e-01 3.88 -5.388398864e-01 -6.420014275e-01 -5.943324336e-01 3.90 -5.239887807e-01 -6.261807399e-01 -5.781629049e-01 3.92 -5.095290532e-01 -6.107194249e-01 -5.624053566e-01 3.94 -4.954532775e-01 -5.956102849e-01 -5.470503782e-01 3.96 -4.817539257e-01 -5.808462290e-01 -5.320887280e-01 3.98 -4.684233888e-01 -5.664202739e-01 -5.175113331e-01 4.00 -4.554539952e-01 -5.523255447e-01 -5.033092879e-01 4.02 -4.428380294e-01 -5.385552754e-01 -4.894738534e-01 4.04 -4.305677497e-01 -5.251028091e-01 -4.759964561e-01 4.06 -4.186354046e-01 -5.119615979e-01 -4.628686863e-01 4.08 -4.070332486e-01 -4.991252032e-01 -4.500822969e-01 4.10 -3.957535572e-01 -4.865872948e-01 -4.376292020e-01 4.12 -3.847886408e-01 -4.743416510e-01 -4.255014750e-01 4.14 -3.741308572e-01 -4.623821576e-01 -4.136913474e-01 4.16 -3.637726237e-01 -4.507028074e-01 -4.021912065e-01 4.18 -3.537064282e-01 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