# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cu-Ni-Co # implementation = 2025--Sharifi-H--Cu-Ni-Co--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 Ni Ni Cu Cu Cu Ni Co Cu Co Ni Co Co 0.02 4.627988409e+05 4.954943043e+05 4.788443024e+05 4.620154743e+05 4.464903951e+05 4.307816124e+05 0.04 1.934542832e+05 2.067715918e+05 1.999800249e+05 1.930217932e+05 1.866816852e+05 1.801701080e+05 0.06 1.101353242e+05 1.175313404e+05 1.137523206e+05 1.098168620e+05 1.062855355e+05 1.025931362e+05 0.08 7.150221648e+04 7.618510859e+04 7.378672299e+04 7.124088097e+04 6.899759075e+04 6.660242451e+04 0.10 5.001136161e+04 5.320232879e+04 5.156343196e+04 4.978520131e+04 4.825083160e+04 4.657294020e+04 0.12 3.671185755e+04 3.899033190e+04 3.781621181e+04 3.651023909e+04 3.540990821e+04 3.417377209e+04 0.14 2.788203775e+04 2.956217573e+04 2.869304123e+04 2.769902295e+04 2.688364111e+04 2.593965471e+04 0.16 2.172048195e+04 2.298867779e+04 2.232971480e+04 2.155240500e+04 2.093348031e+04 2.019271284e+04 0.18 1.725883939e+04 1.823308975e+04 1.772426860e+04 1.710325916e+04 1.662474692e+04 1.603076639e+04 0.20 1.393465691e+04 1.469336997e+04 1.429479388e+04 1.378984766e+04 1.341448688e+04 1.292968224e+04 0.22 1.140112974e+04 1.199838587e+04 1.168253007e+04 1.126581090e+04 1.096788573e+04 1.056621973e+04 0.24 9.434101450e+03 9.908314076e+03 9.655621288e+03 9.307283914e+03 9.068515282e+03 8.731410747e+03 0.26 7.883078369e+03 8.262186709e+03 8.058426441e+03 7.763972083e+03 7.571054211e+03 7.284927075e+03 0.28 6.643823836e+03 6.948548224e+03 6.783161326e+03 6.531779645e+03 6.374835591e+03 6.129547928e+03 0.30 5.642257180e+03 5.888216958e+03 5.753238626e+03 5.536728806e+03 5.408305479e+03 5.196158670e+03 0.32 4.824576857e+03 5.023710898e+03 4.913048328e+03 4.725095227e+03 4.619489200e+03 4.434548282e+03 0.34 4.150981824e+03 4.312525978e+03 4.221461349e+03 4.057137252e+03 3.969930742e+03 3.807559190e+03 0.36 3.591559458e+03 3.722734097e+03 3.647574978e+03 3.502988972e+03 3.430723358e+03 3.287255585e+03 0.38 3.123516198e+03 3.230018814e+03 3.167847704e+03 3.039894338e+03 2.979836167e+03 2.852342662e+03 0.40 2.729270784e+03 2.815634660e+03 2.764126630e+03 2.650302784e+03 2.600273337e+03 2.486389463e+03 0.42 2.395115433e+03 2.464974559e+03 2.422262565e+03 2.320532092e+03 2.278781448e+03 2.176580828e+03 0.44 2.110257711e+03 2.166544845e+03 2.131119032e+03 2.039811451e+03 2.004924298e+03 1.912824018e+03 0.46 1.866125251e+03 1.911221691e+03 1.881853247e+03 1.799587068e+03 1.770411442e+03 1.687100247e+03 0.48 1.655854062e+03 1.691704041e+03 1.667387034e+03 1.593011101e+03 1.568603939e+03 1.492987289e+03 0.50 1.473906825e+03 1.502105674e+03 1.482012223e+03 1.414560454e+03 1.394145604e+03 1.325303243e+03 0.52 1.315785606e+03 1.337648283e+03 1.321093710e+03 1.259749846e+03 1.242685424e+03 1.179838313e+03 0.54 1.177813160e+03 1.194427931e+03 1.180843459e+03 1.124913396e+03 1.110666193e+03 1.053150549e+03 0.56 1.056964878e+03 1.069235663e+03 1.058146875e+03 1.007036785e+03 9.951620747e+02 9.424088246e+02 0.58 9.507388162e+02 9.594188230e+02 9.504285457e+02 9.036274549e+02 8.937529417e+02 8.452713503e+02 0.60 8.570541847e+02 8.627727970e+02 8.555474180e+02 8.126132326e+02 8.044270596e+02 7.597907505e+02 0.62 7.741715794e+02 7.774559690e+02 7.717144304e+02 7.322626647e+02 7.248871477e+02 6.843394404e+02 0.64 7.006299394e+02 7.019225457e+02 6.974274403e+02 6.611220636e+02 6.528564978e+02 6.175506291e+02 0.66 6.351963020e+02 6.348690383e+02 6.314193688e+02 5.979653309e+02 5.877720766e+02 5.582712803e+02 0.68 5.768256025e+02 5.751914621e+02 5.726167215e+02 5.417538149e+02 5.290772155e+02 5.055244638e+02 0.70 5.246283262e+02 5.219509113e+02 5.201062200e+02 4.916040107e+02 4.762075722e+02 4.584790508e+02 0.72 4.778442944e+02 4.743456724e+02 4.731077646e+02 4.467613853e+02 4.286160930e+02 4.164251474e+02 0.74 4.358213702e+02 4.316885815e+02 4.309524784e+02 4.065791180e+02 3.857872331e+02 3.787541340e+02 0.76 3.979980540e+02 3.933885230e+02 3.930647630e+02 3.705007235e+02 3.472441510e+02 3.449423452e+02 0.78 3.638891798e+02 3.589352330e+02 3.589475566e+02 3.380457740e+02 3.125513818e+02 3.145376557e+02 0.80 3.330741409e+02 3.278867924e+02 3.281701996e+02 3.087981457e+02 2.813147154e+02 2.871484355e+02 0.82 3.051871291e+02 2.998592632e+02 3.003583782e+02 2.823962770e+02 2.531794044e+02 2.624343921e+02 0.84 2.799090185e+02 2.745180749e+02 2.751866121e+02 2.585250690e+02 2.278274597e+02 2.400989552e+02 0.86 2.569606004e+02 2.515708458e+02 2.531268989e+02 2.369091347e+02 2.049745335e+02 2.198829288e+02 0.88 2.360969052e+02 2.307613616e+02 2.369189433e+02 2.173071348e+02 1.843666853e+02 2.015591625e+02 0.90 2.171024320e+02 2.118645162e+02 2.248110296e+02 1.995070181e+02 1.657772291e+02 1.849280744e+02 0.92 1.997871246e+02 1.946820473e+02 2.150933386e+02 1.833221193e+02 1.490037725e+02 1.698138758e+02 0.94 1.839829582e+02 1.790389199e+02 2.066095595e+02 1.685237620e+02 1.338654924e+02 1.560613679e+02 0.96 1.695410437e+02 1.647802584e+02 1.986098460e+02 1.547991251e+02 1.202006787e+02 1.435332248e+02 0.98 1.563291582e+02 1.517687326e+02 1.906378959e+02 1.420238860e+02 1.078645429e+02 1.321076774e+02 1.00 1.442296309e+02 1.398823195e+02 1.824451825e+02 1.301114864e+02 9.672727434e+01 1.216765299e+02 1.02 1.331250128e+02 1.290123884e+02 1.739264522e+02 1.189960194e+02 8.667233378e+01 1.121434630e+02 1.04 1.227064231e+02 1.190620447e+02 1.650716574e+02 1.086260252e+02 7.759495385e+01 1.034225496e+02 1.06 1.128558849e+02 1.098778159e+02 1.559306336e+02 9.895983151e+01 6.940082651e+01 9.530980908e+01 1.08 1.035530988e+02 1.006654129e+02 1.465875622e+02 8.996212925e+01 6.200495709e+01 8.715041994e+01 1.10 9.478192872e+01 9.146379971e+01 1.371428777e+02 8.160151819e+01 5.533065970e+01 7.907839665e+01 1.12 8.652852875e+01 8.251005063e+01 1.277008207e+02 7.384880881e+01 4.930867804e+01 7.127829029e+01 1.14 7.878000427e+01 7.396440465e+01 1.183612026e+02 6.667589963e+01 4.387641495e+01 6.387210674e+01 1.16 7.152347279e+01 6.592898332e+01 1.092142876e+02 6.005508564e+01 3.897725315e+01 5.693485110e+01 1.18 6.474544683e+01 5.846237608e+01 1.003379385e+02 5.395868241e+01 3.455995731e+01 5.050670284e+01 1.20 5.843146989e+01 5.159102094e+01 9.179637201e+01 4.835887429e+01 3.057814501e+01 4.460243868e+01 1.22 5.256594699e+01 4.531804184e+01 8.364003328e+01 4.322771583e+01 2.698981631e+01 3.921868632e+01 1.24 4.713211923e+01 3.963006341e+01 7.590621004e+01 3.853723198e+01 2.375693575e+01 3.433946678e+01 1.26 4.211214161e+01 3.450243739e+01 6.862011275e+01 3.425957630e+01 2.084505833e+01 2.994040276e+01 1.28 3.748723073e+01 2.990321313e+01 6.179621715e+01 3.036721692e+01 1.822299399e+01 2.599188080e+01 1.30 3.323785540e+01 2.579612199e+01 5.543971939e+01 2.683312807e+01 1.586250651e+01 2.246139952e+01 1.32 2.934394994e+01 2.214279285e+01 4.954800667e+01 2.363097180e+01 1.373804131e+01 1.931528857e+01 1.34 2.578513409e+01 1.890436756e+01 4.411207031e+01 2.073526720e+01 1.182647953e+01 1.651994089e+01 1.36 2.254092813e+01 1.604265299e+01 3.911781809e+01 1.812153375e+01 1.010691554e+01 1.404267358e+01 1.38 1.959095496e+01 1.352091593e+01 3.454726168e+01 1.576640672e+01 8.560454247e+00 1.185230548e+01 1.40 1.691512357e+01 1.130440623e+01 3.037956468e+01 1.364772540e+01 7.170027281e+00 9.919522037e+00 1.42 1.449379077e+01 9.360675047e+00 2.659194987e+01 1.174459502e+01 5.920225463e+00 8.217081914e+00 1.44 1.230789933e+01 7.659739491e+00 2.316046943e+01 1.003742372e+01 4.797145861e+00 6.719906842e+00 1.46 1.033909233e+01 6.174135775e+00 2.006064561e+01 8.507937641e+00 3.788252604e+00 5.405088406e+00 1.48 8.569804248e+00 4.878891588e+00 1.726799332e+01 7.139176388e+00 2.882249682e+00 4.251835952e+00 1.50 6.983329915e+00 3.751442094e+00 1.475843629e+01 5.915471876e+00 2.068964758e+00 3.241384692e+00 1.52 5.563873368e+00 2.771509060e+00 1.250862984e+01 4.822413735e+00 1.339243375e+00 2.356879051e+00 1.54 4.296578166e+00 1.920956091e+00 1.049620240e+01 3.846803451e+00 6.848521694e-01 1.583240951e+00 1.56 3.167541537e+00 1.183631264e+00 8.699927893e+00 2.976600104e+00 9.839066907e-02 9.070315153e-01 1.58 2.163814621e+00 5.452050601e-01 7.099840229e+00 2.200860085e+00 -4.267890123e-01 3.163119369e-01 1.60 1.273390540e+00 -6.991532406e-03 5.677299571e+00 1.509672323e+00 -8.966555297e-01 -1.994931640e-01 1.62 4.851827098e-01 -4.841239578e-01 4.415019805e+00 8.940912585e-01 -1.316564948e+00 -6.497264730e-01 1.64 -2.110048446e-01 -8.960037601e-01 3.297065089e+00 3.460688472e-01 -1.691321369e+00 -1.042621397e+00 1.66 -8.245136511e-01 -1.251229513e+00 2.308821976e+00 -1.416133666e-01 -2.025232118e+00 -1.385417333e+00 1.68 -1.363871482e+00 -1.557317467e+00 1.436953636e+00 -5.754107148e-01 -2.322157739e+00 -1.684465835e+00 1.70 -1.836836508e+00 -1.820821962e+00 6.693406577e-01 -9.610799445e-01 -2.585557399e+00 -1.945327976e+00 1.72 -2.250443662e+00 -2.047445458e+00 -4.987369209e-03 -1.303741157e+00 -2.818530051e+00 -2.172862963e+00 1.74 -2.611051967e+00 -2.242138160e+00 -5.959257183e-01 -1.607936520e+00 -3.023851785e+00 -2.371308166e+00 1.76 -2.924392267e+00 -2.409188076e+00 -1.112371627e+00 -1.877685740e+00 -3.204019477e+00 -2.544351324e+00 1.78 -3.195614473e+00 -2.552301787e+00 -1.562302107e+00 -2.116537921e+00 -3.361306189e+00 -2.695195276e+00 1.80 -3.429333743e+00 -2.674676553e+00 -1.952850732e+00 -2.327619722e+00 -3.497789222e+00 -2.826615835e+00 1.82 -3.629675025e+00 -2.779064578e+00 -2.290384976e+00 -2.513679612e+00 -3.615366661e+00 -2.941013364e+00 1.84 -3.800315739e+00 -2.867828641e+00 -2.580608481e+00 -2.677121382e+00 -3.715772365e+00 -3.040458520e+00 1.86 -3.944526367e+00 -2.942992938e+00 -2.828657808e+00 -2.820044338e+00 -3.800589825e+00 -3.126732922e+00 1.88 -4.065208808e+00 -3.006289148e+00 -3.039159492e+00 -2.944299451e+00 -3.871264897e+00 -3.201365227e+00 1.90 -4.164932226e+00 -3.059195460e+00 -3.216278167e+00 -3.051560829e+00 -3.929117455e+00 -3.265662976e+00 1.92 -4.245966471e+00 -3.102970808e+00 -3.363760306e+00 -3.143358148e+00 -3.975352112e+00 -3.320740758e+00 1.94 -4.310313064e+00 -3.138684849e+00 -3.484973944e+00 -3.221089533e+00 -4.011068058e+00 -3.367545087e+00 1.96 -4.359733686e+00 -3.167244128e+00 -3.582944655e+00 -3.286032981e+00 -4.037268082e+00 -3.406876320e+00 1.98 -4.395776385e+00 -3.189414935e+00 -3.660388280e+00 -3.339356821e+00 -4.054866869e+00 -3.439408023e+00 2.00 -4.419799502e+00 -3.205843216e+00 -3.719740602e+00 -3.382129224e+00 -4.064698618e+00 -3.465704055e+00 2.02 -4.432996272e+00 -3.217071860e+00 -3.763184243e+00 -3.415326875e+00 -4.067524016e+00 -3.486233635e+00 2.04 -4.436437131e+00 -3.223555765e+00 -3.792673138e+00 -3.439842889e+00 -4.064036659e+00 -3.501388153e+00 2.06 -4.431100446e+00 -3.225674884e+00 -3.809954689e+00 -3.456494023e+00 -4.054868922e+00 -3.511515029e+00 2.08 -4.417881444e+00 -3.223747986e+00 -3.816589867e+00 -3.466027236e+00 -4.040597337e+00 -3.516938222e+00 2.10 -4.397599060e+00 -3.218060140e+00 -3.813971481e+00 -3.469125693e+00 -4.021747524e+00 -3.517960964e+00 2.12 -4.371002213e+00 -3.208880312e+00 -3.803340702e+00 -3.466414216e+00 -3.998798677e+00 -3.514867478e+00 2.14 -4.338775575e+00 -3.196463067e+00 -3.785802069e+00 -3.458464255e+00 -3.972187677e+00 -3.507924619e+00 2.16 -4.301544884e+00 -3.181049242e+00 -3.762337096e+00 -3.445798434e+00 -3.942312822e+00 -3.497383438e+00 2.18 -4.259881798e+00 -3.162866597e+00 -3.733816577e+00 -3.428894665e+00 -3.909537230e+00 -3.483480657e+00 2.20 -4.214308381e+00 -3.142130428e+00 -3.701011766e+00 -3.408189921e+00 -3.874191920e+00 -3.466440049e+00 2.22 -4.165301200e+00 -3.119044162e+00 -3.664604481e+00 -3.384083661e+00 -3.836578615e+00 -3.446473714e+00 2.24 -4.113295100e+00 -3.093799923e+00 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