# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cu-Co-Fe # implementation = 2025--Sharifi-H--Cu-Co-Fe--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 Fe Fe Co Co Co Cu Cu Cu Co Fe Cu Fe 0.02 4.000875199e+05 4.307816124e+05 4.620154743e+05 4.954943043e+05 4.151468523e+05 4.452269976e+05 0.04 1.675325584e+05 1.801701080e+05 1.930217932e+05 2.067715918e+05 1.737325163e+05 1.861054927e+05 0.06 9.548852264e+04 1.025931362e+05 1.098168620e+05 1.175313404e+05 9.897336918e+04 1.059234251e+05 0.08 6.204120064e+04 6.660242451e+04 7.124088097e+04 7.618510859e+04 6.427784945e+04 6.873634714e+04 0.10 4.341559740e+04 4.657294020e+04 4.978520131e+04 5.320232879e+04 4.496325285e+04 4.804713370e+04 0.12 3.187892766e+04 3.417377209e+04 3.651023909e+04 3.899033190e+04 3.300329443e+04 3.524305732e+04 0.14 2.421338265e+04 2.593965471e+04 2.769902295e+04 2.956217573e+04 2.505872675e+04 2.674231070e+04 0.16 1.886035540e+04 2.019271284e+04 2.155240500e+04 2.298867779e+04 1.951240785e+04 2.081086835e+04 0.18 1.498155631e+04 1.603076639e+04 1.710325916e+04 1.823308975e+04 1.549468987e+04 1.651647991e+04 0.20 1.208985465e+04 1.292968224e+04 1.378984766e+04 1.469336997e+04 1.250028004e+04 1.331760139e+04 0.22 9.884764039e+03 1.056621973e+04 1.126581090e+04 1.199838587e+04 1.021752284e+04 1.088028826e+04 0.24 8.171982361e+03 8.731410747e+03 9.307283914e+03 9.908314076e+03 8.444916866e+03 8.988675462e+03 0.26 6.820996645e+03 7.284927075e+03 7.763972083e+03 8.262186709e+03 7.047130720e+03 7.497820611e+03 0.28 5.741359459e+03 6.129547928e+03 6.531779645e+03 6.948548224e+03 5.930391613e+03 6.307320131e+03 0.30 4.868749574e+03 5.196158670e+03 5.536728806e+03 5.888216958e+03 5.028024825e+03 5.345808080e+03 0.32 4.156420575e+03 4.434548282e+03 4.725095227e+03 5.023710898e+03 4.291582744e+03 4.561447135e+03 0.34 3.569764456e+03 3.807559190e+03 4.057137252e+03 4.312525978e+03 3.685205369e+03 3.915883674e+03 0.36 3.082750729e+03 3.287255585e+03 3.502988972e+03 3.722734097e+03 3.181926516e+03 3.380288658e+03 0.38 2.675527836e+03 2.852342662e+03 3.039894338e+03 3.230018814e+03 2.761185811e+03 2.932691149e+03 0.40 2.332771206e+03 2.486389463e+03 2.650302784e+03 2.815634660e+03 2.407115282e+03 2.556142247e+03 0.42 2.042522934e+03 2.176580828e+03 2.320532092e+03 2.464974559e+03 2.107335971e+03 2.237425789e+03 0.44 1.795360987e+03 1.912824018e+03 2.039811451e+03 2.166544845e+03 1.852096416e+03 1.966135541e+03 0.46 1.583796014e+03 1.687100247e+03 1.799587068e+03 1.911221691e+03 1.633647230e+03 1.734005461e+03 0.48 1.401827125e+03 1.492987289e+03 1.593011101e+03 1.691704041e+03 1.445780590e+03 1.534416714e+03 0.50 1.244610302e+03 1.325303243e+03 1.414560454e+03 1.502105674e+03 1.283486546e+03 1.362029872e+03 0.52 1.108208636e+03 1.179838313e+03 1.259749846e+03 1.337648283e+03 1.142694190e+03 1.212508033e+03 0.54 9.894020459e+02 1.053150549e+03 1.124913396e+03 1.194427931e+03 1.020074511e+03 1.082255643e+03 0.56 8.855409446e+02 9.424088246e+02 1.007036785e+03 1.069235663e+03 9.128888098e+02 9.637655487e+02 0.58 7.944329653e+02 8.452713503e+02 9.036274549e+02 9.594188230e+02 8.188713902e+02 8.538701955e+02 0.60 7.142544237e+02 7.597907505e+02 8.126132326e+02 8.627727970e+02 7.361378834e+02 7.531682447e+02 0.62 6.434806809e+02 6.843394404e+02 7.322626647e+02 7.774559690e+02 6.631131607e+02 6.617587389e+02 0.64 5.808310654e+02 6.175506291e+02 6.611220636e+02 7.019225457e+02 5.984743298e+02 5.794167273e+02 0.66 5.252249402e+02 5.582712803e+02 5.979653309e+02 6.348690383e+02 5.411052752e+02 5.057117226e+02 0.68 4.757465247e+02 5.055244638e+02 5.417538149e+02 5.751914621e+02 4.900602655e+02 4.400910316e+02 0.70 4.316165687e+02 4.584790508e+02 4.916040107e+02 5.219509113e+02 4.445346547e+02 3.819379469e+02 0.72 3.921693794e+02 4.164251474e+02 4.467613853e+02 4.743456724e+02 4.038411265e+02 3.306118914e+02 0.74 3.568341505e+02 3.787541340e+02 4.065791180e+02 4.316885815e+02 3.673903885e+02 2.854755886e+02 0.76 3.251196896e+02 3.449423452e+02 3.705007235e+02 3.933885230e+02 3.346753852e+02 2.459129655e+02 0.78 2.966018623e+02 3.145376557e+02 3.380457740e+02 3.589352330e+02 3.052583204e+02 2.113404209e+02 0.80 2.709132492e+02 2.871484355e+02 3.087981457e+02 3.278867924e+02 2.787599683e+02 1.812134056e+02 0.82 2.477345700e+02 2.624343921e+02 2.823962770e+02 2.998592632e+02 2.548508125e+02 1.550296957e+02 0.84 2.267875477e+02 2.400989552e+02 2.585250690e+02 2.745180749e+02 2.332436741e+02 1.323303698e+02 0.86 2.078289608e+02 2.198829288e+02 2.369091347e+02 2.515708458e+02 2.136875668e+02 1.126992390e+02 0.88 1.906456484e+02 2.015591625e+02 2.173071348e+02 2.307613616e+02 1.959625387e+02 9.576123800e+01 0.90 1.750503133e+02 1.849280744e+02 1.995070181e+02 2.118645162e+02 1.798753372e+02 8.118017097e+01 0.92 1.608779817e+02 1.698138758e+02 1.833221193e+02 1.946820473e+02 1.652557535e+02 6.865608826e+01 0.94 1.479829998e+02 1.560613679e+02 1.685237620e+02 1.790389199e+02 1.519535204e+02 5.792247327e+01 0.96 1.362364852e+02 1.435332248e+02 1.547991251e+02 1.647802584e+02 1.398356817e+02 4.874338805e+01 0.98 1.255246901e+02 1.321076774e+02 1.420238860e+02 1.517687326e+02 1.287254415e+02 4.091066525e+01 1.00 1.154488517e+02 1.216765299e+02 1.301114864e+02 1.398823195e+02 1.178254325e+02 3.424120291e+01 1.02 1.053619247e+02 1.121434630e+02 1.189960194e+02 1.290123884e+02 1.071619771e+02 2.857441328e+01 1.04 9.551484895e+01 1.034225496e+02 1.086260252e+02 1.190620447e+02 9.695839783e+01 2.376983893e+01 1.06 8.610845183e+01 9.530980908e+01 9.895983151e+01 1.098778159e+02 8.735448841e+01 1.970494819e+01 1.08 7.726883824e+01 8.715041994e+01 8.996212925e+01 1.006654129e+02 7.842845616e+01 1.627311851e+01 1.10 6.906694180e+01 7.907839665e+01 8.160151819e+01 9.146379971e+01 7.021410167e+01 1.338179707e+01 1.12 6.153357747e+01 7.127829029e+01 7.384880881e+01 8.251005063e+01 6.271387203e+01 1.095083760e+01 1.14 5.467097347e+01 6.387210674e+01 6.667589963e+01 7.396440465e+01 5.590871555e+01 8.911004407e+00 1.16 4.846155540e+01 5.693485110e+01 6.005508564e+01 6.592898332e+01 4.976546302e+01 7.202629115e+00 1.18 4.287457436e+01 5.050670284e+01 5.395868241e+01 5.846237608e+01 4.424229031e+01 5.774411799e+00 1.20 3.787106516e+01 4.460243868e+01 4.835887429e+01 5.159102094e+01 3.929271196e+01 4.582354188e+00 1.22 3.340750793e+01 3.921868632e+01 4.322771583e+01 4.531804184e+01 3.486844880e+01 3.588812740e+00 1.24 2.943848831e+01 3.433946678e+01 3.853723198e+01 3.963006341e+01 3.092143962e+01 2.761662885e+00 1.26 2.591859236e+01 2.994040276e+01 3.425957630e+01 3.450243739e+01 2.740520810e+01 2.073561188e+00 1.28 2.280371524e+01 2.599188080e+01 3.036721692e+01 2.990321313e+01 2.427574652e+01 1.501296296e+00 1.30 2.005192865e+01 2.246139952e+01 2.683312807e+01 2.579612199e+01 2.149204410e+01 1.025219181e+00 1.32 1.762401721e+01 1.931528857e+01 2.363097180e+01 2.214279285e+01 1.901635514e+01 6.287417307e-01 1.34 1.548377063e+01 1.651994089e+01 2.073526720e+01 1.890436756e+01 1.681428205e+01 2.979064119e-01 1.36 1.359809925e+01 1.404267358e+01 1.812153375e+01 1.604265299e+01 1.485473008e+01 2.100994281e-02 1.38 1.193702262e+01 1.185230548e+01 1.576640672e+01 1.352091593e+01 1.310977461e+01 -2.117262192e-01 1.40 1.047357218e+01 9.919522037e+00 1.364772540e+01 1.130440623e+01 1.155447423e+01 -4.084413379e-01 1.42 9.183636983e+00 8.217081914e+00 1.174459502e+01 9.360675047e+00 1.016665237e+01 -5.758823632e-01 1.44 8.045772174e+00 6.719906842e+00 1.003742372e+01 7.659739491e+00 8.926663649e+00 -7.196172637e-01 1.46 7.040990280e+00 5.405088406e+00 8.507937641e+00 6.174135775e+00 7.817158327e+00 -8.442183916e-01 1.48 6.152545446e+00 4.251835952e+00 7.139176388e+00 4.878891588e+00 6.822851889e+00 -9.534201285e-01 1.50 5.365719107e+00 3.241384692e+00 5.915471876e+00 3.751442094e+00 5.930305607e+00 -1.050253965e+00 1.52 4.667613481e+00 2.356879051e+00 4.822413735e+00 2.771509060e+00 5.127721880e+00 -1.137163574e+00 1.54 4.046955723e+00 1.583240951e+00 3.846803451e+00 1.920956091e+00 4.404755380e+00 -1.216102690e+00 1.56 3.493915675e+00 9.070315153e-01 2.976600104e+00 1.183631264e+00 3.752341266e+00 -1.288619594e+00 1.58 2.999938413e+00 3.163119369e-01 2.200860085e+00 5.452050601e-01 3.162540444e+00 -1.355928144e+00 1.60 2.557591451e+00 -1.994931640e-01 1.509672323e+00 -6.991532406e-03 2.628400845e+00 -1.418967667e+00 1.62 2.160426420e+00 -6.497264730e-01 8.940912585e-01 -4.841239578e-01 2.143834334e+00 -1.478453350e+00 1.64 1.802855806e+00 -1.042621397e+00 3.460688472e-01 -8.960037601e-01 1.703507865e+00 -1.534918584e+00 1.66 1.480043775e+00 -1.385417333e+00 -1.416133666e-01 -1.251229513e+00 1.302747571e+00 -1.588750413e+00 1.68 1.187808857e+00 -1.684465835e+00 -5.754107148e-01 -1.557317467e+00 9.374548488e-01 -1.640219058e+00 1.70 9.225379902e-01 -1.945327976e+00 -9.610799445e-01 -1.820821962e+00 6.040329317e-01 -1.689502445e+00 1.72 6.811110059e-01 -2.172862963e+00 -1.303741157e+00 -2.047445458e+00 2.993228716e-01 -1.736706486e+00 1.74 4.608346532e-01 -2.371308166e+00 -1.607936520e+00 -2.242138160e+00 2.054793809e-02 -1.781881746e+00 1.76 2.593849439e-01 -2.544351324e+00 -1.877685740e+00 -2.409188076e+00 -2.347347751e-01 -1.825037556e+00 1.78 7.475703760e-02 -2.695195276e+00 -2.116537921e+00 -2.552301787e+00 -4.686763008e-01 -1.866153078e+00 1.80 -9.477821362e-02 -2.826615835e+00 -2.327619722e+00 -2.674676553e+00 -6.831721352e-01 -1.905187185e+00 1.82 -2.507119663e-01 -2.941013364e+00 -2.513679612e+00 -2.779064578e+00 -8.798938199e-01 -1.942097907e+00 1.84 -3.943299262e-01 -3.040458520e+00 -2.677121382e+00 -2.867828641e+00 -1.060316291e+00 -1.976846717e+00 1.86 -5.267400961e-01 -3.126732922e+00 -2.820044338e+00 -2.942992938e+00 -1.225741630e+00 -2.009400987e+00 1.88 -6.488966099e-01 -3.201365227e+00 -2.944299451e+00 -3.006289148e+00 -1.377319733e+00 -2.039742230e+00 1.90 -7.616215339e-01 -3.265662976e+00 -3.051560829e+00 -3.059195460e+00 -1.516066280e+00 -2.067864815e+00 1.92 -8.656229785e-01 -3.320740758e+00 -3.143358148e+00 -3.102970808e+00 -1.642878430e+00 -2.093774419e+00 1.94 -9.615105543e-01 -3.367545087e+00 -3.221089533e+00 -3.138684849e+00 -1.758548564e+00 -2.117486626e+00 1.96 -1.049808673e+00 -3.406876320e+00 -3.286032981e+00 -3.167244128e+00 -1.863776630e+00 -2.139025672e+00 1.98 -1.130969246e+00 -3.439408023e+00 -3.339356821e+00 -3.189414935e+00 -1.959191919e+00 -2.158423303e+00 2.00 -1.205397424e+00 -3.465704055e+00 -3.382129224e+00 -3.205843216e+00 -2.045384358e+00 -2.175717744e+00 2.02 -1.273475346e+00 -3.486233635e+00 -3.415326875e+00 -3.217071860e+00 -2.122912689e+00 -2.190952775e+00 2.04 -1.335565656e+00 -3.501388153e+00 -3.439842889e+00 -3.223555765e+00 -2.192306111e+00 -2.204176881e+00 2.06 -1.392012550e+00 -3.511515029e+00 -3.456494023e+00 -3.225674884e+00 -2.254065812e+00 -2.215442498e+00 2.08 -1.443142753e+00 -3.516938222e+00 -3.466027236e+00 -3.223747986e+00 -2.308666410e+00 -2.224805320e+00 2.10 -1.489266455e+00 -3.517960964e+00 -3.469125693e+00 -3.218060140e+00 -2.356557337e+00 -2.232323683e+00 2.12 -1.530678171e+00 -3.514867478e+00 -3.466414216e+00 -3.208880312e+00 -2.398164134e+00 -2.238057998e+00 2.14 -1.567657728e+00 -3.507924619e+00 -3.458464255e+00 -3.196463067e+00 -2.433889683e+00 -2.242070249e+00 2.16 -1.600471608e+00 -3.497383438e+00 -3.445798434e+00 -3.181049242e+00 -2.464115380e+00 -2.244423539e+00 2.18 -1.629372933e+00 -3.483480657e+00 -3.428894665e+00 -3.162866597e+00 -2.489202230e+00 -2.245181681e+00 2.20 -1.654601883e+00 -3.466440049e+00 -3.408189921e+00 -3.142130428e+00 -2.509491893e+00 -2.244408831e+00 2.22 -1.676386345e+00 -3.446473714e+00 -3.384083661e+00 -3.119044162e+00 -2.525307665e+00 -2.242169163e+00 2.24 -1.694942531e+00 -3.423783248e+00 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