# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Co-Ni # implementation = 2025--Sharifi-H--Co-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 Ni Ni Co Co Co Ni 0.02 4.627988409e+05 4.307816124e+05 4.464903951e+05 0.04 1.934542832e+05 1.801701080e+05 1.866816852e+05 0.06 1.101353242e+05 1.025931362e+05 1.062855355e+05 0.08 7.150221648e+04 6.660242451e+04 6.899759075e+04 0.10 5.001136161e+04 4.657294020e+04 4.825083160e+04 0.12 3.671185755e+04 3.417377209e+04 3.540990821e+04 0.14 2.788203775e+04 2.593965471e+04 2.688364111e+04 0.16 2.172048195e+04 2.019271284e+04 2.093348031e+04 0.18 1.725883939e+04 1.603076639e+04 1.662474692e+04 0.20 1.393465691e+04 1.292968224e+04 1.341448688e+04 0.22 1.140112974e+04 1.056621973e+04 1.096788573e+04 0.24 9.434101450e+03 8.731410747e+03 9.068515282e+03 0.26 7.883078369e+03 7.284927075e+03 7.571054211e+03 0.28 6.643823836e+03 6.129547928e+03 6.374835591e+03 0.30 5.642257180e+03 5.196158670e+03 5.408305479e+03 0.32 4.824576857e+03 4.434548282e+03 4.619489200e+03 0.34 4.150981824e+03 3.807559190e+03 3.969930742e+03 0.36 3.591559458e+03 3.287255585e+03 3.430723358e+03 0.38 3.123516198e+03 2.852342662e+03 2.979836167e+03 0.40 2.729270784e+03 2.486389463e+03 2.600273337e+03 0.42 2.395115433e+03 2.176580828e+03 2.278781448e+03 0.44 2.110257711e+03 1.912824018e+03 2.004924298e+03 0.46 1.866125251e+03 1.687100247e+03 1.770411442e+03 0.48 1.655854062e+03 1.492987289e+03 1.568603939e+03 0.50 1.473906825e+03 1.325303243e+03 1.394145604e+03 0.52 1.315785606e+03 1.179838313e+03 1.242685424e+03 0.54 1.177813160e+03 1.053150549e+03 1.110666193e+03 0.56 1.056964878e+03 9.424088246e+02 9.951620747e+02 0.58 9.507388162e+02 8.452713503e+02 8.937529417e+02 0.60 8.570541847e+02 7.597907505e+02 8.044270596e+02 0.62 7.741715794e+02 6.843394404e+02 7.248871477e+02 0.64 7.006299394e+02 6.175506291e+02 6.528564978e+02 0.66 6.351963020e+02 5.582712803e+02 5.877720766e+02 0.68 5.768256025e+02 5.055244638e+02 5.290772155e+02 0.70 5.246283262e+02 4.584790508e+02 4.762075722e+02 0.72 4.778442944e+02 4.164251474e+02 4.286160930e+02 0.74 4.358213702e+02 3.787541340e+02 3.857872331e+02 0.76 3.979980540e+02 3.449423452e+02 3.472441510e+02 0.78 3.638891798e+02 3.145376557e+02 3.125513818e+02 0.80 3.330741409e+02 2.871484355e+02 2.813147154e+02 0.82 3.051871291e+02 2.624343921e+02 2.531794044e+02 0.84 2.799090185e+02 2.400989552e+02 2.278274597e+02 0.86 2.569606004e+02 2.198829288e+02 2.049745335e+02 0.88 2.360969052e+02 2.015591625e+02 1.843666853e+02 0.90 2.171024320e+02 1.849280744e+02 1.657772291e+02 0.92 1.997871246e+02 1.698138758e+02 1.490037725e+02 0.94 1.839829582e+02 1.560613679e+02 1.338654924e+02 0.96 1.695410437e+02 1.435332248e+02 1.202006787e+02 0.98 1.563291582e+02 1.321076774e+02 1.078645429e+02 1.00 1.442296309e+02 1.216765299e+02 9.672727434e+01 1.02 1.331250128e+02 1.121434630e+02 8.667233378e+01 1.04 1.227064231e+02 1.034225496e+02 7.759495385e+01 1.06 1.128558849e+02 9.530980908e+01 6.940082651e+01 1.08 1.035530988e+02 8.715041994e+01 6.200495709e+01 1.10 9.478192872e+01 7.907839665e+01 5.533065970e+01 1.12 8.652852875e+01 7.127829029e+01 4.930867804e+01 1.14 7.878000427e+01 6.387210674e+01 4.387641495e+01 1.16 7.152347279e+01 5.693485110e+01 3.897725315e+01 1.18 6.474544683e+01 5.050670284e+01 3.455995731e+01 1.20 5.843146989e+01 4.460243868e+01 3.057814501e+01 1.22 5.256594699e+01 3.921868632e+01 2.698981631e+01 1.24 4.713211923e+01 3.433946678e+01 2.375693575e+01 1.26 4.211214161e+01 2.994040276e+01 2.084505833e+01 1.28 3.748723073e+01 2.599188080e+01 1.822299399e+01 1.30 3.323785540e+01 2.246139952e+01 1.586250651e+01 1.32 2.934394994e+01 1.931528857e+01 1.373804131e+01 1.34 2.578513409e+01 1.651994089e+01 1.182647953e+01 1.36 2.254092813e+01 1.404267358e+01 1.010691554e+01 1.38 1.959095496e+01 1.185230548e+01 8.560454247e+00 1.40 1.691512357e+01 9.919522037e+00 7.170027281e+00 1.42 1.449379077e+01 8.217081914e+00 5.920225463e+00 1.44 1.230789933e+01 6.719906842e+00 4.797145861e+00 1.46 1.033909233e+01 5.405088406e+00 3.788252604e+00 1.48 8.569804248e+00 4.251835952e+00 2.882249682e+00 1.50 6.983329915e+00 3.241384692e+00 2.068964758e+00 1.52 5.563873368e+00 2.356879051e+00 1.339243375e+00 1.54 4.296578166e+00 1.583240951e+00 6.848521694e-01 1.56 3.167541537e+00 9.070315153e-01 9.839066907e-02 1.58 2.163814621e+00 3.163119369e-01 -4.267890123e-01 1.60 1.273390540e+00 -1.994931640e-01 -8.966555297e-01 1.62 4.851827098e-01 -6.497264730e-01 -1.316564948e+00 1.64 -2.110048446e-01 -1.042621397e+00 -1.691321369e+00 1.66 -8.245136511e-01 -1.385417333e+00 -2.025232118e+00 1.68 -1.363871482e+00 -1.684465835e+00 -2.322157739e+00 1.70 -1.836836508e+00 -1.945327976e+00 -2.585557399e+00 1.72 -2.250443662e+00 -2.172862963e+00 -2.818530051e+00 1.74 -2.611051967e+00 -2.371308166e+00 -3.023851785e+00 1.76 -2.924392267e+00 -2.544351324e+00 -3.204019477e+00 1.78 -3.195614473e+00 -2.695195276e+00 -3.361306189e+00 1.80 -3.429333743e+00 -2.826615835e+00 -3.497789222e+00 1.82 -3.629675025e+00 -2.941013364e+00 -3.615366661e+00 1.84 -3.800315739e+00 -3.040458520e+00 -3.715772365e+00 1.86 -3.944526367e+00 -3.126732922e+00 -3.800589825e+00 1.88 -4.065208808e+00 -3.201365227e+00 -3.871264897e+00 1.90 -4.164932226e+00 -3.265662976e+00 -3.929117455e+00 1.92 -4.245966471e+00 -3.320740758e+00 -3.975352112e+00 1.94 -4.310313064e+00 -3.367545087e+00 -4.011068058e+00 1.96 -4.359733686e+00 -3.406876320e+00 -4.037268082e+00 1.98 -4.395776385e+00 -3.439408023e+00 -4.054866869e+00 2.00 -4.419799502e+00 -3.465704055e+00 -4.064698618e+00 2.02 -4.432996272e+00 -3.486233635e+00 -4.067524016e+00 2.04 -4.436437131e+00 -3.501388153e+00 -4.064036659e+00 2.06 -4.431100446e+00 -3.511515029e+00 -4.054868922e+00 2.08 -4.417881444e+00 -3.516938222e+00 -4.040597337e+00 2.10 -4.397599060e+00 -3.517960964e+00 -4.021747524e+00 2.12 -4.371002213e+00 -3.514867478e+00 -3.998798677e+00 2.14 -4.338775575e+00 -3.507924619e+00 -3.972187677e+00 2.16 -4.301544884e+00 -3.497383438e+00 -3.942312822e+00 2.18 -4.259881798e+00 -3.483480657e+00 -3.909537230e+00 2.20 -4.214308381e+00 -3.466440049e+00 -3.874191920e+00 2.22 -4.165301200e+00 -3.446473714e+00 -3.836578615e+00 2.24 -4.113295100e+00 -3.423783248e+00 -3.796972269e+00 2.26 -4.058686664e+00 -3.398560795e+00 -3.755623363e+00 2.28 -4.001837390e+00 -3.370989970e+00 -3.712759975e+00 2.30 -3.943076599e+00 -3.341246660e+00 -3.668589528e+00 2.32 -3.882704111e+00 -3.309499698e+00 -3.623295946e+00 2.34 -3.820992693e+00 -3.275911408e+00 -3.577040863e+00 2.36 -3.758190304e+00 -3.240638025e+00 -3.529971390e+00 2.38 -3.694522150e+00 -3.203830010e+00 -3.482221635e+00 2.40 -3.630192574e+00 -3.165632244e+00 -3.433913693e+00 2.42 -3.565386782e+00 -3.126184148e+00 -3.385158546e+00 2.44 -3.500272426e+00 -3.085619711e+00 -3.336056920e+00 2.46 -3.435001060e+00 -3.044067470e+00 -3.286700064e+00 2.48 -3.369709467e+00 -3.001650435e+00 -3.237170497e+00 2.50 -3.304520680e+00 -2.958485995e+00 -3.187542701e+00 2.52 -3.239540871e+00 -2.914685615e+00 -3.137883787e+00 2.54 -3.174861427e+00 -2.870354222e+00 -3.088254120e+00 2.56 -3.110564697e+00 -2.825590835e+00 -3.038707911e+00 2.58 -3.046724868e+00 -2.780488716e+00 -2.989293784e+00 2.60 -2.983408594e+00 -2.735135327e+00 -2.940055309e+00 2.62 -2.920675564e+00 -2.689612355e+00 -2.891031502e+00 2.64 -2.858579042e+00 -2.643995766e+00 -2.842257300e+00 2.66 -2.797166355e+00 -2.598355920e+00 -2.793764003e+00 2.68 -2.736479359e+00 -2.552757730e+00 -2.745579679e+00 2.70 -2.676554860e+00 -2.507260861e+00 -2.697729538e+00 2.72 -2.617425017e+00 -2.461919961e+00 -2.650236277e+00 2.74 -2.559117705e+00 -2.416784927e+00 -2.603120389e+00 2.76 -2.501656861e+00 -2.371901178e+00 -2.556400432e+00 2.78 -2.445062804e+00 -2.327309949e+00 -2.510093274e+00 2.80 -2.389352528e+00 -2.283048583e+00 -2.464214307e+00 2.82 -2.334539981e+00 -2.239150822e+00 -2.418777620e+00 2.84 -2.280636320e+00 -2.195647085e+00 -2.373796156e+00 2.86 -2.227650148e+00 -2.152564730e+00 -2.329281836e+00 2.88 -2.175587736e+00 -2.109928310e+00 -2.285245664e+00 2.90 -2.124453228e+00 -2.067759796e+00 -2.241697804e+00 2.92 -2.074248831e+00 -2.026078791e+00 -2.198647649e+00 2.94 -2.024974989e+00 -1.984902713e+00 -2.156103865e+00 2.96 -1.976630551e+00 -1.944246978e+00 -2.114074427e+00 2.98 -1.929212918e+00 -1.904125141e+00 -2.072566646e+00 3.00 -1.882718183e+00 -1.864549048e+00 -2.031587186e+00 3.02 -1.837141261e+00 -1.825528954e+00 -1.991142074e+00 3.04 -1.792476008e+00 -1.787073640e+00 -1.951236711e+00 3.06 -1.748715329e+00 -1.749190518e+00 -1.911875875e+00 3.08 -1.705851280e+00 -1.711885726e+00 -1.873063729e+00 3.10 -1.663875163e+00 -1.675164219e+00 -1.834803825e+00 3.12 -1.622777608e+00 -1.639029848e+00 -1.797099110e+00 3.14 -1.582548653e+00 -1.603485442e+00 -1.759951937e+00 3.16 -1.543177817e+00 -1.568532873e+00 -1.723364071e+00 3.18 -1.504654165e+00 -1.534173132e+00 -1.687336706e+00 3.20 -1.466966368e+00 -1.500406384e+00 -1.651870477e+00 3.22 -1.430102760e+00 -1.467232035e+00 -1.616965479e+00 3.24 -1.394051389e+00 -1.434648781e+00 -1.582621286e+00 3.26 -1.358800059e+00 -1.402654669e+00 -1.548836972e+00 3.28 -1.324336378e+00 -1.371247138e+00 -1.515611137e+00 3.30 -1.290647792e+00 -1.340423075e+00 -1.482941929e+00 3.32 -1.257721624e+00 -1.310178851e+00 -1.450827072e+00 3.34 -1.225545102e+00 -1.280510368e+00 -1.419263894e+00 3.36 -1.194105390e+00 -1.251413098e+00 -1.388249354e+00 3.38 -1.163389613e+00 -1.222882117e+00 -1.357780068e+00 3.40 -1.133384883e+00 -1.194912145e+00 -1.327852343e+00 3.42 -1.104078320e+00 -1.167497573e+00 -1.298462199e+00 3.44 -1.075457068e+00 -1.140632500e+00 -1.269605401e+00 3.46 -1.047508319e+00 -1.114310759e+00 -1.241277481e+00 3.48 -1.020219323e+00 -1.088525943e+00 -1.213473768e+00 3.50 -9.935774036e-01 -1.063271436e+00 -1.186189411e+00 3.52 -9.675699743e-01 -1.038540433e+00 -1.159419400e+00 3.54 -9.421845458e-01 -1.014325962e+00 -1.133158590e+00 3.56 -9.174087381e-01 -9.906209099e-01 -1.107401720e+00 3.58 -8.932302893e-01 -9.674180378e-01 -1.082143430e+00 3.60 -8.696370638e-01 -9.447100017e-01 -1.057378281e+00 3.62 -8.466170594e-01 -9.224893696e-01 -1.033100767e+00 3.64 -8.241584136e-01 -9.007486372e-01 -1.009305330e+00 3.66 -8.022494090e-01 -8.794802436e-01 -9.859863691e-01 3.68 -7.808784784e-01 -8.586765849e-01 -9.631382545e-01 3.70 -7.600342087e-01 -8.383300276e-01 -9.407553329e-01 3.72 -7.397053447e-01 -8.184329207e-01 -9.188319356e-01 3.74 -7.198807919e-01 -7.989776070e-01 -8.973623838e-01 3.76 -7.005496190e-01 -7.799564337e-01 -8.763409930e-01 3.78 -6.817010604e-01 -7.613617621e-01 -8.557620758e-01 3.80 -6.633245172e-01 -7.431859766e-01 -8.356199435e-01 3.82 -6.454095591e-01 -7.254214934e-01 -8.159089070e-01 3.84 -6.279459249e-01 -7.080607677e-01 -7.966232765e-01 3.86 -6.109235234e-01 -6.910963011e-01 -7.777573601e-01 3.88 -5.943324336e-01 -6.745206481e-01 -7.593054621e-01 3.90 -5.781629049e-01 -6.583264223e-01 -7.412618803e-01 3.92 -5.624053566e-01 -6.425063011e-01 -7.236209030e-01 3.94 -5.470503782e-01 -6.270530314e-01 -7.063768057e-01 3.96 -5.320887280e-01 -6.119594338e-01 -6.895238472e-01 3.98 -5.175113331e-01 -5.972184064e-01 -6.730562656e-01 4.00 -5.033092879e-01 -5.828229287e-01 -6.569682746e-01 4.02 -4.894738534e-01 -5.687660642e-01 -6.412540594e-01 4.04 -4.759964561e-01 -5.550409636e-01 -6.259077733e-01 4.06 -4.628686863e-01 -5.416408669e-01 -6.109235337e-01 4.08 -4.500822969e-01 -5.285591053e-01 -5.962954196e-01 4.10 -4.376292020e-01 -5.157891024e-01 -5.820174685e-01 4.12 -4.255014750e-01 -5.033243762e-01 -5.680836748e-01 4.14 -4.136913474e-01 -4.911585389e-01 -5.544879876e-01 4.16 -4.021912065e-01 -4.792852982e-01 -5.412243103e-01 4.18 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