# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cu-Ti-Co # implementation = 2025--Sharifi-H--Cu-Ti-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 Ti Cu Ti Co Co Co Cu Cu Cu Ti Ti 0.02 1.680625357e+04 1.807710182e+04 4.307816124e+05 4.620154743e+05 4.954943043e+05 6.954133520e+02 0.04 7.332536242e+03 7.905300973e+03 1.801701080e+05 1.930217932e+05 2.067715918e+05 3.373286853e+02 0.06 4.327222940e+03 4.679474139e+03 1.025931362e+05 1.098168620e+05 1.175313404e+05 2.202533478e+02 0.08 2.900130663e+03 3.147732753e+03 6.660242451e+04 7.124088097e+04 7.618510859e+04 1.626789209e+02 0.10 2.088877610e+03 2.276756560e+03 4.657294020e+04 4.978520131e+04 5.320232879e+04 1.286863023e+02 0.12 1.576677558e+03 1.726524435e+03 3.417377209e+04 3.651023909e+04 3.899033190e+04 1.063475260e+02 0.14 1.230025135e+03 1.353794992e+03 2.593965471e+04 2.769902295e+04 2.956217573e+04 9.057880543e+01 0.16 9.834861733e+02 1.088389544e+03 2.019271284e+04 2.155240500e+04 2.298867779e+04 7.885673538e+01 0.18 8.015056651e+02 8.921883953e+02 1.603076639e+04 1.710325916e+04 1.823308975e+04 6.979212447e+01 0.20 6.632439931e+02 7.428551755e+02 1.292968224e+04 1.378984766e+04 1.469336997e+04 6.256026894e+01 0.22 5.557506495e+02 6.265123366e+02 1.056621973e+04 1.126581090e+04 1.199838587e+04 5.664246515e+01 0.24 4.705941922e+02 5.341263380e+02 8.731410747e+03 9.307283914e+03 9.908314076e+03 5.169723187e+01 0.26 4.020723681e+02 4.595883818e+02 7.284927075e+03 7.763972083e+03 8.262186709e+03 4.749123708e+01 0.28 3.462043138e+02 3.986340716e+02 6.129547928e+03 6.531779645e+03 6.948548224e+03 4.386001067e+01 0.30 3.001357842e+02 3.482059796e+02 5.196158670e+03 5.536728806e+03 5.888216958e+03 4.068452969e+01 0.32 2.617732056e+02 3.060615232e+02 4.434548282e+03 4.725095227e+03 5.023710898e+03 3.787667941e+01 0.34 2.295505840e+02 2.705232332e+02 3.807559190e+03 4.057137252e+03 4.312525978e+03 3.536991671e+01 0.36 2.022766162e+02 2.403149637e+02 3.287255585e+03 3.502988972e+03 3.722734097e+03 3.311310267e+01 0.38 1.790315598e+02 2.144514149e+02 2.852342662e+03 3.039894338e+03 3.230018814e+03 3.106631805e+01 0.40 1.590960763e+02 1.921619076e+02 2.486389463e+03 2.650302784e+03 2.815634660e+03 2.919796226e+01 0.42 1.419011222e+02 1.728367070e+02 2.176580828e+03 2.320532092e+03 2.464974559e+03 2.748270276e+01 0.44 1.269919412e+02 1.559884517e+02 1.912824018e+03 2.039811451e+03 2.166544845e+03 2.589999717e+01 0.46 1.140017975e+02 1.412240182e+02 1.687100247e+03 1.799587068e+03 1.911221691e+03 2.443301251e+01 0.48 1.026325185e+02 1.282236801e+02 1.492987289e+03 1.593011101e+03 1.691704041e+03 2.306782304e+01 0.50 9.263986730e+01 1.167254423e+02 1.325303243e+03 1.414560454e+03 1.502105674e+03 2.179280593e+01 0.52 8.382243489e+01 1.065131452e+02 1.179838313e+03 1.259749846e+03 1.337648283e+03 2.059818143e+01 0.54 7.601310042e+01 9.740732097e+01 1.053150549e+03 1.124913396e+03 1.194427931e+03 1.947565845e+01 0.56 6.907239696e+01 8.925809094e+01 9.424088246e+02 1.007036785e+03 1.069235663e+03 1.841815845e+01 0.58 6.288332090e+01 8.193960958e+01 8.452713503e+02 9.036274549e+02 9.594188230e+02 1.741959864e+01 0.60 5.734722814e+01 7.534567273e+01 7.597907505e+02 8.126132326e+02 8.627727970e+02 1.647471982e+01 0.62 5.238056743e+01 6.938622253e+01 6.843394404e+02 7.322626647e+02 7.774559690e+02 1.557894875e+01 0.64 4.791226509e+01 6.398454984e+01 6.175506291e+02 6.611220636e+02 7.019225457e+02 1.472828717e+01 0.66 4.388161232e+01 5.907503489e+01 5.582712803e+02 5.979653309e+02 6.348690383e+02 1.391922168e+01 0.68 4.023655193e+01 5.460131555e+01 5.055244638e+02 5.417538149e+02 5.751914621e+02 1.314865000e+01 0.70 3.693228119e+01 5.051479386e+01 4.584790508e+02 4.916040107e+02 5.219509113e+02 1.241382040e+01 0.72 3.393010403e+01 4.677340942e+01 4.164251474e+02 4.467613853e+02 4.743456724e+02 1.171228147e+01 0.74 3.119648642e+01 4.334063019e+01 3.787541340e+02 4.065791180e+02 4.316885815e+02 1.104184029e+01 0.76 2.870227403e+01 4.018461676e+01 3.449423452e+02 3.705007235e+02 3.933885230e+02 1.040052748e+01 0.78 2.642204115e+01 3.727752691e+01 3.145376557e+02 3.380457740e+02 3.589352330e+02 9.786567785e+00 0.80 2.433354795e+01 3.459493614e+01 2.871484355e+02 3.087981457e+02 3.278867924e+02 9.198355166e+00 0.82 2.241728522e+01 3.211535152e+01 2.624343921e+02 2.823962770e+02 2.998592632e+02 8.634431727e+00 0.84 2.065609142e+01 2.982113994e+01 2.400989552e+02 2.585250690e+02 2.745180749e+02 8.093469684e+00 0.86 1.903482994e+01 2.835446255e+01 2.198829288e+02 2.369091347e+02 2.515708458e+02 7.574255981e+00 0.88 1.754011533e+01 2.902966579e+01 2.015591625e+02 2.173071348e+02 2.307613616e+02 7.075679039e+00 0.90 1.616008105e+01 3.106261587e+01 1.849280744e+02 1.995070181e+02 2.118645162e+02 6.596717331e+00 0.92 1.488418161e+01 3.379182897e+01 1.698138758e+02 1.833221193e+02 1.946820473e+02 6.136429518e+00 0.94 1.370302335e+01 3.674709685e+01 1.560613679e+02 1.685237620e+02 1.790389199e+02 5.693945848e+00 0.96 1.260821961e+01 3.960473488e+01 1.435332248e+02 1.547991251e+02 1.647802584e+02 5.268460691e+00 0.98 1.159229774e+01 4.215221093e+01 1.321076774e+02 1.420238860e+02 1.517687326e+02 4.859226001e+00 1.00 1.071172926e+01 4.426029405e+01 1.216765299e+02 1.301114864e+02 1.398823195e+02 4.465545585e+00 1.02 1.040647050e+01 4.586125626e+01 1.121434630e+02 1.189960194e+02 1.290123884e+02 4.086770074e+00 1.04 1.056801911e+01 4.693187814e+01 1.034225496e+02 1.086260252e+02 1.190620447e+02 3.722292535e+00 1.06 1.100832979e+01 4.748030102e+01 9.530980908e+01 9.895983151e+01 1.098778159e+02 3.375393588e+00 1.08 1.158730555e+01 4.753594063e+01 8.715041994e+01 8.996212925e+01 1.006654129e+02 3.125213582e+00 1.10 1.220298445e+01 4.714181728e+01 7.907839665e+01 8.160151819e+01 9.146379971e+01 2.975852798e+00 1.12 1.278347187e+01 4.634880373e+01 7.127829029e+01 7.384880881e+01 8.251005063e+01 2.895310629e+00 1.14 1.328035776e+01 4.521137608e+01 6.387210674e+01 6.667589963e+01 7.396440465e+01 2.858122200e+00 1.16 1.366336050e+01 4.378453971e+01 5.693485110e+01 6.005508564e+01 6.592898332e+01 2.844248542e+00 1.18 1.391599863e+01 4.212166917e+01 5.050670284e+01 5.395868241e+01 5.846237608e+01 2.838204793e+00 1.20 1.403210742e+01 4.027304980e+01 4.460243868e+01 4.835887429e+01 5.159102094e+01 2.828304691e+00 1.22 1.401305334e+01 3.828495678e+01 3.921868632e+01 4.322771583e+01 4.531804184e+01 2.806007567e+00 1.24 1.386552617e+01 3.619913661e+01 3.433946678e+01 3.853723198e+01 3.963006341e+01 2.765357191e+00 1.26 1.359980194e+01 3.405258836e+01 2.994040276e+01 3.425957630e+01 3.450243739e+01 2.702500241e+00 1.28 1.322839235e+01 3.187756257e+01 2.599188080e+01 3.036721692e+01 2.990321313e+01 2.615275187e+00 1.30 1.276500876e+01 2.970171121e+01 2.246139952e+01 2.683312807e+01 2.579612199e+01 2.502863215e+00 1.32 1.222378009e+01 2.754834122e+01 1.931528857e+01 2.363097180e+01 2.214279285e+01 2.365492715e+00 1.34 1.161867596e+01 2.543673978e+01 1.651994089e+01 2.073526720e+01 1.890436756e+01 2.204190950e+00 1.36 1.096309326e+01 2.338253359e+01 1.404267358e+01 1.812153375e+01 1.604265299e+01 2.020576632e+00 1.38 1.026957275e+01 2.139806357e+01 1.185230548e+01 1.576640672e+01 1.352091593e+01 1.816687721e+00 1.40 9.549617428e+00 1.949275911e+01 9.919522037e+00 1.364772540e+01 1.130440623e+01 1.594839920e+00 1.42 8.813589923e+00 1.767350130e+01 8.217081914e+00 1.174459502e+01 9.360675047e+00 1.357511381e+00 1.44 8.070670477e+00 1.594496799e+01 6.719906842e+00 1.003742372e+01 7.659739491e+00 1.107249919e+00 1.46 7.328859961e+00 1.430995469e+01 5.405088406e+00 8.507937641e+00 6.174135775e+00 8.465994421e-01 1.48 6.595016073e+00 1.276966948e+01 4.251835952e+00 7.139176388e+00 4.878891588e+00 5.780426412e-01 1.50 5.874912968e+00 1.132400012e+01 3.241384692e+00 5.915471876e+00 3.751442094e+00 3.039574459e-01 1.52 5.173316173e+00 9.971753032e+00 2.356879051e+00 4.822413735e+00 2.771509060e+00 2.658497404e-02 1.54 4.494067249e+00 8.710865388e+00 1.583240951e+00 3.846803451e+00 1.920956091e+00 -2.519929042e-01 1.56 3.840173123e+00 7.538590984e+00 9.070315153e-01 2.976600104e+00 1.183631264e+00 -5.298680809e-01 1.58 3.213896486e+00 6.451661730e+00 3.163119369e-01 2.200860085e+00 5.452050601e-01 -8.053142882e-01 1.60 2.616844867e+00 5.446426729e+00 -1.994931640e-01 1.509672323e+00 -6.991532406e-03 -1.076789893e+00 1.62 2.050056094e+00 4.518970638e+00 -6.497264730e-01 8.940912585e-01 -4.841239578e-01 -1.342936558e+00 1.64 1.514078941e+00 3.665213499e+00 -1.042621397e+00 3.460688472e-01 -8.960037601e-01 -1.602574650e+00 1.66 1.009048142e+00 2.880993950e+00 -1.385417333e+00 -1.416133666e-01 -1.251229513e+00 -1.854696122e+00 1.68 5.347530456e-01 2.162137662e+00 -1.684465835e+00 -5.754107148e-01 -1.557317467e+00 -2.098455587e+00 1.70 9.069987130e-02 1.504512864e+00 -1.945327976e+00 -9.610799445e-01 -1.820821962e+00 -2.333160086e+00 1.72 -3.238325315e-01 9.040745484e-01 -2.172862963e+00 -1.303741157e+00 -2.047445458e+00 -2.558257986e+00 1.74 -7.097433088e-01 3.568989459e-01 -2.371308166e+00 -1.607936520e+00 -2.242138160e+00 -2.773327430e+00 1.76 -1.068066249e+00 -1.407903759e-01 -2.544351324e+00 -1.877685740e+00 -2.409188076e+00 -2.978064589e+00 1.78 -1.399932178e+00 -5.926035295e-01 -2.695195276e+00 -2.116537921e+00 -2.552301787e+00 -3.172271981e+00 1.80 -1.706536679e+00 -1.001971272e+00 -2.826615835e+00 -2.327619722e+00 -2.674676553e+00 -3.355847063e+00 1.82 -1.989112675e+00 -1.372136602e+00 -2.941013364e+00 -2.513679612e+00 -2.779064578e+00 -3.528771197e+00 1.84 -2.248907467e+00 -1.706142561e+00 -3.040458520e+00 -2.677121382e+00 -2.867828641e+00 -3.691099157e+00 1.86 -2.487163754e+00 -2.006834498e+00 -3.126732922e+00 -2.820044338e+00 -2.942992938e+00 -3.842949221e+00 1.88 -2.705104213e+00 -2.276871848e+00 -3.201365227e+00 -2.944299451e+00 -3.006289148e+00 -3.984493896e+00 1.90 -2.903919213e+00 -2.518732084e+00 -3.265662976e+00 -3.051560829e+00 -3.059195460e+00 -4.115951344e+00 1.92 -3.084757281e+00 -2.734715983e+00 -3.320740758e+00 -3.143358148e+00 -3.102970808e+00 -4.237577491e+00 1.94 -3.248717953e+00 -2.926954194e+00 -3.367545087e+00 -3.221089533e+00 -3.138684849e+00 -4.349658822e+00 1.96 -3.396846655e+00 -3.097414725e+00 -3.406876320e+00 -3.286032981e+00 -3.167244128e+00 -4.452505875e+00 1.98 -3.530131347e+00 -3.247911183e+00 -3.439408023e+00 -3.339356821e+00 -3.189414935e+00 -4.546447386e+00 2.00 -3.649500714e+00 -3.380112940e+00 -3.465704055e+00 -3.382129224e+00 -3.205843216e+00 -4.631825067e+00 2.02 -3.755826169e+00 -3.495557194e+00 -3.486233635e+00 -3.415326875e+00 -3.217071860e+00 -4.708988997e+00 2.04 -3.849928126e+00 -3.595659520e+00 -3.501388153e+00 -3.439842889e+00 -3.223555765e+00 -4.778293569e+00 2.06 -3.932580022e+00 -3.681723349e+00 -3.511515029e+00 -3.456494023e+00 -3.225674884e+00 -4.840093977e+00 2.08 -4.004511416e+00 -3.754948713e+00 -3.516938222e+00 -3.466027236e+00 -3.223747986e+00 -4.894743163e+00 2.10 -4.066410855e+00 -3.816440319e+00 -3.517960964e+00 -3.469125693e+00 -3.218060140e+00 -4.942589068e+00 2.12 -4.118928489e+00 -3.867214970e+00 -3.514867478e+00 -3.466414216e+00 -3.208880312e+00 -4.983972621e+00 2.14 -4.162678484e+00 -3.908208426e+00 -3.507924619e+00 -3.458464255e+00 -3.196463067e+00 -5.019226057e+00 2.16 -4.198241229e+00 -3.940281727e+00 -3.497383438e+00 -3.445798434e+00 -3.181049242e+00 -5.048671458e+00 2.18 -4.226165335e+00 -3.964227017e+00 -3.483480657e+00 -3.428894665e+00 -3.162866597e+00 -5.072619601e+00 2.20 -4.246969475e+00 -3.980772924e+00 -3.466440049e+00 -3.408189921e+00 -3.142130428e+00 -5.091369074e+00 2.22 -4.261144056e+00 -3.990589522e+00 -3.446473714e+00 -3.384083661e+00 -3.119044162e+00 -5.105205634e+00 2.24 -4.269152738e+00 -3.994292895e+00 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