# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Fe-Ni-Co # implementation = 2025--Sharifi-H--Fe-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 Co Co Fe Ni Co Fe Fe Fe Ni Ni Co Ni 0.02 4.307816124e+05 4.301791529e+05 4.151468523e+05 4.000875199e+05 4.627988409e+05 4.464903951e+05 0.04 1.801701080e+05 1.799099401e+05 1.737325163e+05 1.675325584e+05 1.934542832e+05 1.866816852e+05 0.06 1.025931362e+05 1.024387192e+05 9.897336918e+04 9.548852264e+04 1.101353242e+05 1.062855355e+05 0.08 6.660242451e+04 6.649718851e+04 6.427784945e+04 6.204120064e+04 7.150221648e+04 6.899759075e+04 0.10 4.657294020e+04 4.649527053e+04 4.496325285e+04 4.341559740e+04 5.001136161e+04 4.825083160e+04 0.12 3.417377209e+04 3.411336853e+04 3.300329443e+04 3.187892766e+04 3.671185755e+04 3.540990821e+04 0.14 2.593965471e+04 2.589090396e+04 2.505872675e+04 2.421338265e+04 2.788203775e+04 2.688364111e+04 0.16 2.019271284e+04 2.015226332e+04 1.951240785e+04 1.886035540e+04 2.172048195e+04 2.093348031e+04 0.18 1.603076639e+04 1.599647958e+04 1.549468987e+04 1.498155631e+04 1.725883939e+04 1.662474692e+04 0.20 1.292968224e+04 1.290012311e+04 1.250028004e+04 1.208985465e+04 1.393465691e+04 1.341448688e+04 0.22 1.056621973e+04 1.054038649e+04 1.021752284e+04 9.884764039e+03 1.140112974e+04 1.096788573e+04 0.24 8.731410747e+03 8.708581416e+03 8.444916866e+03 8.171982361e+03 9.434101450e+03 9.068515282e+03 0.26 7.284927075e+03 7.264567354e+03 7.047130720e+03 6.820996645e+03 7.883078369e+03 7.571054211e+03 0.28 6.129547928e+03 6.111253442e+03 5.930391613e+03 5.741359459e+03 6.643823836e+03 6.374835591e+03 0.30 5.196158670e+03 5.179617333e+03 5.028024825e+03 4.868749574e+03 5.642257180e+03 5.408305479e+03 0.32 4.434548282e+03 4.419515019e+03 4.291582744e+03 4.156420575e+03 4.824576857e+03 4.619489200e+03 0.34 3.807559190e+03 3.793838515e+03 3.685205369e+03 3.569764456e+03 4.150981824e+03 3.969930742e+03 0.36 3.287255585e+03 3.274689314e+03 3.181926516e+03 3.082750729e+03 3.591559458e+03 3.430723358e+03 0.38 2.852342662e+03 2.840801088e+03 2.761185811e+03 2.675527836e+03 3.123516198e+03 2.979836167e+03 0.40 2.486389463e+03 2.475764906e+03 2.407115282e+03 2.332771206e+03 2.729270784e+03 2.600273337e+03 0.42 2.176580828e+03 2.166782857e+03 2.107335971e+03 2.042522934e+03 2.395115433e+03 2.278781448e+03 0.44 1.912824018e+03 1.903775861e+03 1.852096416e+03 1.795360987e+03 2.110257711e+03 2.004924298e+03 0.46 1.687100247e+03 1.678736062e+03 1.633647230e+03 1.583796014e+03 1.866125251e+03 1.770411442e+03 0.48 1.492987289e+03 1.485250070e+03 1.445780590e+03 1.401827125e+03 1.655854062e+03 1.568603939e+03 0.50 1.325303243e+03 1.318143194e+03 1.283486546e+03 1.244610302e+03 1.473906825e+03 1.394145604e+03 0.52 1.179838313e+03 1.173211578e+03 1.142694190e+03 1.108208636e+03 1.315785606e+03 1.242685424e+03 0.54 1.053150549e+03 1.047018206e+03 1.020074511e+03 9.894020459e+02 1.177813160e+03 1.110666193e+03 0.56 9.424088246e+02 9.367360871e+02 9.128888098e+02 8.855409446e+02 1.056964878e+03 9.951620747e+02 0.58 8.452713503e+02 8.400269272e+02 8.188713902e+02 7.944329653e+02 9.507388162e+02 8.937529417e+02 0.60 7.597907505e+02 7.549463280e+02 7.361378834e+02 7.142544237e+02 8.570541847e+02 8.044270596e+02 0.62 6.843394404e+02 6.798692603e+02 6.631131607e+02 6.434806809e+02 7.741715794e+02 7.248871477e+02 0.64 6.175506291e+02 6.134311441e+02 5.984743298e+02 5.808310654e+02 7.006299394e+02 6.528564978e+02 0.66 5.582712803e+02 5.544808686e+02 5.411052752e+02 5.252249402e+02 6.351963020e+02 5.877720766e+02 0.68 5.055244638e+02 5.020431929e+02 4.900602655e+02 4.757465247e+02 5.768256025e+02 5.290772155e+02 0.70 4.584790508e+02 4.552884794e+02 4.445346547e+02 4.316165687e+02 5.246283262e+02 4.762075722e+02 0.72 4.164251474e+02 4.135081591e+02 4.038411265e+02 3.921693794e+02 4.778442944e+02 4.286160930e+02 0.74 3.787541340e+02 3.760947966e+02 3.673903885e+02 3.568341505e+02 4.358213702e+02 3.857872331e+02 0.76 3.449423452e+02 3.425257904e+02 3.346753852e+02 3.251196896e+02 3.979980540e+02 3.472441510e+02 0.78 3.145376557e+02 3.123499768e+02 3.052583204e+02 2.966018623e+02 3.638891798e+02 3.125513818e+02 0.80 2.871484355e+02 2.851765982e+02 2.787599683e+02 2.709132492e+02 3.330741409e+02 2.813147154e+02 0.82 2.624343921e+02 2.606661579e+02 2.548508125e+02 2.477345700e+02 3.051871291e+02 2.531794044e+02 0.84 2.400989552e+02 2.385228146e+02 2.332436741e+02 2.267875477e+02 2.799090185e+02 2.278274597e+02 0.86 2.198829288e+02 2.184880422e+02 2.136875668e+02 2.078289608e+02 2.569606004e+02 2.049745335e+02 0.88 2.015591625e+02 2.003353086e+02 1.959625387e+02 1.906456484e+02 2.360969052e+02 1.843666853e+02 0.90 1.849280744e+02 1.838656047e+02 1.798753372e+02 1.750503133e+02 2.171024320e+02 1.657772291e+02 0.92 1.698138758e+02 1.689036731e+02 1.652557535e+02 1.608779817e+02 1.997871246e+02 1.490037725e+02 0.94 1.560613679e+02 1.552948104e+02 1.519535204e+02 1.479829998e+02 1.839829582e+02 1.338654924e+02 0.96 1.435332248e+02 1.429032015e+02 1.398356817e+02 1.362364852e+02 1.695410437e+02 1.202006787e+02 0.98 1.321076774e+02 1.318870890e+02 1.287254415e+02 1.255246901e+02 1.563291582e+02 1.078645429e+02 1.00 1.216765299e+02 1.221852263e+02 1.178254325e+02 1.154488517e+02 1.442296309e+02 9.672727434e+01 1.02 1.121434630e+02 1.134783119e+02 1.071619771e+02 1.053619247e+02 1.331250128e+02 8.667233378e+01 1.04 1.034225496e+02 1.055354308e+02 9.695839783e+01 9.551484895e+01 1.227064231e+02 7.759495385e+01 1.06 9.530980908e+01 9.819188951e+01 8.735448841e+01 8.610845183e+01 1.128558849e+02 6.940082651e+01 1.08 8.715041994e+01 9.133240226e+01 7.842845616e+01 7.726883824e+01 1.035530988e+02 6.200495709e+01 1.10 7.907839665e+01 8.487799005e+01 7.021410167e+01 6.906694180e+01 9.478192872e+01 5.533065970e+01 1.12 7.127829029e+01 7.877587595e+01 6.271387203e+01 6.153357747e+01 8.652852875e+01 4.930867804e+01 1.14 6.387210674e+01 7.299176412e+01 5.590871555e+01 5.467097347e+01 7.878000427e+01 4.387641495e+01 1.16 5.693485110e+01 6.750400420e+01 4.976546302e+01 4.846155540e+01 7.152347279e+01 3.897725315e+01 1.18 5.050670284e+01 6.229924718e+01 4.424229031e+01 4.287457436e+01 6.474544683e+01 3.455995731e+01 1.20 4.460243868e+01 5.736926221e+01 3.929271196e+01 3.787106516e+01 5.843146989e+01 3.057814501e+01 1.22 3.921868632e+01 5.270865457e+01 3.486844880e+01 3.340750793e+01 5.256594699e+01 2.698981631e+01 1.24 3.433946678e+01 4.831327601e+01 3.092143962e+01 2.943848831e+01 4.713211923e+01 2.375693575e+01 1.26 2.994040276e+01 4.417915891e+01 2.740520810e+01 2.591859236e+01 4.211214161e+01 2.084505833e+01 1.28 2.599188080e+01 4.030184366e+01 2.427574652e+01 2.280371524e+01 3.748723073e+01 1.822299399e+01 1.30 2.246139952e+01 3.667599423e+01 2.149204410e+01 2.005192865e+01 3.323785540e+01 1.586250651e+01 1.32 1.931528857e+01 3.329522176e+01 1.901635514e+01 1.762401721e+01 2.934394994e+01 1.373804131e+01 1.34 1.651994089e+01 3.015205315e+01 1.681428205e+01 1.548377063e+01 2.578513409e+01 1.182647953e+01 1.36 1.404267358e+01 2.723799755e+01 1.485473008e+01 1.359809925e+01 2.254092813e+01 1.010691554e+01 1.38 1.185230548e+01 2.454367423e+01 1.310977461e+01 1.193702262e+01 1.959095496e+01 8.560454247e+00 1.40 9.919522037e+00 2.205897466e+01 1.155447423e+01 1.047357218e+01 1.691512357e+01 7.170027281e+00 1.42 8.217081914e+00 1.977323987e+01 1.016665237e+01 9.183636983e+00 1.449379077e+01 5.920225463e+00 1.44 6.719906842e+00 1.767543903e+01 8.926663649e+00 8.045772174e+00 1.230789933e+01 4.797145861e+00 1.46 5.405088406e+00 1.575433990e+01 7.817158327e+00 7.040990280e+00 1.033909233e+01 3.788252604e+00 1.48 4.251835952e+00 1.399866502e+01 6.822851889e+00 6.152545446e+00 8.569804248e+00 2.882249682e+00 1.50 3.241384692e+00 1.239722998e+01 5.930305607e+00 5.365719107e+00 6.983329915e+00 2.068964758e+00 1.52 2.356879051e+00 1.093906207e+01 5.127721880e+00 4.667613481e+00 5.563873368e+00 1.339243375e+00 1.54 1.583240951e+00 9.613498482e+00 4.404755380e+00 4.046955723e+00 4.296578166e+00 6.848521694e-01 1.56 9.070315153e-01 8.410263378e+00 3.752341266e+00 3.493915675e+00 3.167541537e+00 9.839066907e-02 1.58 3.163119369e-01 7.319524855e+00 3.162540444e+00 2.999938413e+00 2.163814621e+00 -4.267890123e-01 1.60 -1.994931640e-01 6.331931512e+00 2.628400845e+00 2.557591451e+00 1.273390540e+00 -8.966555297e-01 1.62 -6.497264730e-01 5.438628046e+00 2.143834334e+00 2.160426420e+00 4.851827098e-01 -1.316564948e+00 1.64 -1.042621397e+00 4.631248686e+00 1.703507865e+00 1.802855806e+00 -2.110048446e-01 -1.691321369e+00 1.66 -1.385417333e+00 3.901886710e+00 1.302747571e+00 1.480043775e+00 -8.245136511e-01 -2.025232118e+00 1.68 -1.684465835e+00 3.243039167e+00 9.374548488e-01 1.187808857e+00 -1.363871482e+00 -2.322157739e+00 1.70 -1.945327976e+00 2.647527510e+00 6.040329317e-01 9.225379902e-01 -1.836836508e+00 -2.585557399e+00 1.72 -2.172862963e+00 2.108399915e+00 2.993228716e-01 6.811110059e-01 -2.250443662e+00 -2.818530051e+00 1.74 -2.371308166e+00 1.618830409e+00 2.054793809e-02 4.608346532e-01 -2.611051967e+00 -3.023851785e+00 1.76 -2.544351324e+00 1.172044278e+00 -2.347347751e-01 2.593849439e-01 -2.924392267e+00 -3.204019477e+00 1.78 -2.695195276e+00 7.613216831e-01 -4.686763008e-01 7.475703760e-02 -3.195614473e+00 -3.361306189e+00 1.80 -2.826615835e+00 3.801566834e-01 -6.831721352e-01 -9.477821362e-02 -3.429333743e+00 -3.497789222e+00 1.82 -2.941013364e+00 2.266822073e-02 -8.798938199e-01 -2.507119663e-01 -3.629675025e+00 -3.615366661e+00 1.84 -3.040458520e+00 -3.156762932e-01 -1.060316291e+00 -3.943299262e-01 -3.800315739e+00 -3.715772365e+00 1.86 -3.126732922e+00 -6.370981401e-01 -1.225741630e+00 -5.267400961e-01 -3.944526367e+00 -3.800589825e+00 1.88 -3.201365227e+00 -9.406741372e-01 -1.377319733e+00 -6.488966099e-01 -4.065208808e+00 -3.871264897e+00 1.90 -3.265662976e+00 -1.222339005e+00 -1.516066280e+00 -7.616215339e-01 -4.164932226e+00 -3.929117455e+00 1.92 -3.320740758e+00 -1.476368377e+00 -1.642878430e+00 -8.656229785e-01 -4.245966471e+00 -3.975352112e+00 1.94 -3.367545087e+00 -1.698070509e+00 -1.758548564e+00 -9.615105543e-01 -4.310313064e+00 -4.011068058e+00 1.96 -3.406876320e+00 -1.886149662e+00 -1.863776630e+00 -1.049808673e+00 -4.359733686e+00 -4.037268082e+00 1.98 -3.439408023e+00 -2.043108226e+00 -1.959191919e+00 -1.130969246e+00 -4.395776385e+00 -4.054866869e+00 2.00 -3.465704055e+00 -2.173711949e+00 -2.045384358e+00 -1.205397424e+00 -4.419799502e+00 -4.064698618e+00 2.02 -3.486233635e+00 -2.283019555e+00 -2.122912689e+00 -1.273475346e+00 -4.432996272e+00 -4.067524016e+00 2.04 -3.501388153e+00 -2.375201230e+00 -2.192306111e+00 -1.335565656e+00 -4.436437131e+00 -4.064036659e+00 2.06 -3.511515029e+00 -2.453284419e+00 -2.254065812e+00 -1.392012550e+00 -4.431100446e+00 -4.054868922e+00 2.08 -3.516938222e+00 -2.519382353e+00 -2.308666410e+00 -1.443142753e+00 -4.417881444e+00 -4.040597337e+00 2.10 -3.517960964e+00 -2.575011541e+00 -2.356557337e+00 -1.489266455e+00 -4.397599060e+00 -4.021747524e+00 2.12 -3.514867478e+00 -2.621333115e+00 -2.398164134e+00 -1.530678171e+00 -4.371002213e+00 -3.998798677e+00 2.14 -3.507924619e+00 -2.659298586e+00 -2.433889683e+00 -1.567657728e+00 -4.338775575e+00 -3.972187677e+00 2.16 -3.497383438e+00 -2.689727959e+00 -2.464115380e+00 -1.600471608e+00 -4.301544884e+00 -3.942312822e+00 2.18 -3.483480657e+00 -2.713349353e+00 -2.489202230e+00 -1.629372933e+00 -4.259881798e+00 -3.909537230e+00 2.20 -3.466440049e+00 -2.730819226e+00 -2.509491893e+00 -1.654601883e+00 -4.214308381e+00 -3.874191920e+00 2.22 -3.446473714e+00 -2.742733516e+00 -2.525307665e+00 -1.676386345e+00 -4.165301200e+00 -3.836578615e+00 2.24 -3.423783248e+00 -2.749634698e+00 -2.536955408e+00 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