# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Ni-Co-Al # implementation = 2025--Sharifi-H--Ni-Co-Al--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 Al Co Ni Ni Al Ni Co Co Al Al Co Ni 0.02 2.104396009e+05 4.627988409e+05 2.180539151e+05 4.307816124e+05 1.028140289e+05 4.464903951e+05 0.04 8.902048284e+04 1.934542832e+05 9.218002921e+04 1.801701080e+05 4.400192354e+04 1.866816852e+05 0.06 5.116734325e+04 1.101353242e+05 5.295346302e+04 1.025931362e+05 2.553665024e+04 1.062855355e+05 0.08 3.349160949e+04 7.150221648e+04 3.464310948e+04 6.660242451e+04 1.685684394e+04 6.899759075e+04 0.10 2.359753611e+04 5.001136161e+04 2.439722132e+04 4.657294020e+04 1.196920789e+04 4.825083160e+04 0.12 1.743972829e+04 3.671185755e+04 1.802244446e+04 3.417377209e+04 8.910587048e+03 3.540990821e+04 0.14 1.332913743e+04 2.788203775e+04 1.376831686e+04 2.593965471e+04 6.858160167e+03 2.688364111e+04 0.16 1.044524509e+04 2.172048195e+04 1.078464320e+04 2.019271284e+04 5.410802380e+03 2.093348031e+04 0.18 8.345679106e+03 1.725883939e+04 8.613121938e+03 1.603076639e+04 4.351605415e+03 1.662474692e+04 0.20 6.772866446e+03 1.393465691e+04 6.986938923e+03 1.292968224e+04 3.553960781e+03 1.341448688e+04 0.22 5.567641693e+03 1.140112974e+04 5.741236603e+03 1.056621973e+04 2.939466088e+03 1.096788573e+04 0.24 4.626901948e+03 9.434101450e+03 4.769236383e+03 8.731410747e+03 2.457234689e+03 9.068515282e+03 0.26 3.881258169e+03 7.883078369e+03 3.999083741e+03 7.284927075e+03 2.072950668e+03 7.571054211e+03 0.28 3.282515708e+03 6.643823836e+03 3.380878118e+03 6.129547928e+03 1.762727048e+03 6.374835591e+03 0.30 2.796313566e+03 5.642257180e+03 2.879047599e+03 5.196158670e+03 1.509490653e+03 5.408305479e+03 0.32 2.397607221e+03 4.824576857e+03 2.467669486e+03 4.434548282e+03 1.300762017e+03 4.619489200e+03 0.34 2.067796156e+03 4.150981824e+03 2.127494703e+03 3.807559190e+03 1.127243071e+03 3.969930742e+03 0.36 1.792841749e+03 3.591559458e+03 1.843998150e+03 3.287255585e+03 9.818915000e+02 3.430723358e+03 0.38 1.561998793e+03 3.123516198e+03 1.606064736e+03 2.852342662e+03 8.592966724e+02 2.979836167e+03 0.40 1.366941123e+03 2.729270784e+03 1.405083694e+03 2.486389463e+03 7.552492328e+02 2.600273337e+03 0.42 1.201146713e+03 2.395115433e+03 1.234311691e+03 2.176580828e+03 6.664381665e+02 2.278781448e+03 0.44 1.059456703e+03 2.110257711e+03 1.088416126e+03 1.912824018e+03 5.902332895e+02 2.004924298e+03 0.46 9.377545931e+02 1.866125251e+03 9.631429231e+02 1.687100247e+03 5.245267649e+02 1.770411442e+03 0.48 8.327294564e+02 1.655854062e+03 8.550713517e+02 1.492987289e+03 4.676158915e+02 1.568603939e+03 0.50 7.416987161e+02 1.473906825e+03 7.614305532e+02 1.325303243e+03 4.181151742e+02 1.394145604e+03 0.52 6.624742788e+02 1.315785606e+03 6.799609758e+02 1.179838313e+03 3.748897255e+02 1.242685424e+03 0.54 5.932602342e+02 1.177813160e+03 6.088085015e+02 1.053150549e+03 3.370042203e+02 1.110666193e+03 0.56 5.325739257e+02 1.056964878e+03 5.464427766e+02 9.424088246e+02 3.036833835e+02 9.951620747e+02 0.58 4.791846504e+02 9.507388162e+02 4.915937954e+02 8.452713503e+02 2.742811966e+02 8.937529417e+02 0.60 4.320655786e+02 8.570541847e+02 4.432021711e+02 7.597907505e+02 2.482566582e+02 8.044270596e+02 0.62 3.903558058e+02 7.741715794e+02 4.003798939e+02 6.843394404e+02 2.251545792e+02 7.248871477e+02 0.64 3.533302350e+02 7.006299394e+02 3.623791941e+02 6.175506291e+02 2.045902836e+02 6.528564978e+02 0.66 3.203754687e+02 6.351963020e+02 3.285676223e+02 5.582712803e+02 1.862373133e+02 5.877720766e+02 0.68 2.909704394e+02 5.768256025e+02 2.984080339e+02 5.055244638e+02 1.698175110e+02 5.290772155e+02 0.70 2.646707612e+02 5.246283262e+02 2.714424199e+02 4.584790508e+02 1.550929773e+02 4.762075722e+02 0.72 2.410959968e+02 4.778442944e+02 2.472787549e+02 4.164251474e+02 1.418595005e+02 4.286160930e+02 0.74 2.199192764e+02 4.358213702e+02 2.255802750e+02 3.787541340e+02 1.299411797e+02 3.857872331e+02 0.76 2.008441297e+02 3.979980540e+02 2.060566844e+02 3.449423452e+02 1.191859969e+02 3.472441510e+02 0.78 1.829989053e+02 3.638891798e+02 1.884569047e+02 3.145376557e+02 1.094621533e+02 3.125513818e+02 0.80 1.661335642e+02 3.330741409e+02 1.725630888e+02 2.871484355e+02 1.006550318e+02 2.813147154e+02 0.82 1.503810892e+02 3.051871291e+02 1.581860271e+02 2.624343921e+02 9.266466413e+01 2.531794044e+02 0.84 1.358030230e+02 2.799090185e+02 1.448717096e+02 2.400989552e+02 8.540361118e+01 2.278274597e+02 0.86 1.224103316e+02 2.569606004e+02 1.320151506e+02 2.198829288e+02 7.879518652e+01 2.049745335e+02 0.88 1.101789404e+02 2.360969052e+02 1.198039778e+02 2.015591625e+02 7.277195764e+01 1.843666853e+02 0.90 9.906131666e+01 2.171024320e+02 1.083697621e+02 1.849280744e+02 6.727448037e+01 1.657772291e+02 0.92 8.899505130e+01 1.997871246e+02 9.777889404e+01 1.698138758e+02 6.225022684e+01 1.490037725e+02 0.94 7.990916123e+01 1.839829582e+02 8.805171644e+01 1.560613679e+02 5.765267227e+01 1.338654924e+02 0.96 7.172865592e+01 1.695410437e+02 7.917681962e+01 1.435332248e+02 5.344048899e+01 1.202006787e+02 0.98 6.437779496e+01 1.563291582e+02 7.112166112e+01 1.321076774e+02 4.956436999e+01 1.078645429e+02 1.00 5.778235623e+01 1.442296309e+02 6.384038378e+01 1.216765299e+02 4.596041709e+01 9.672727434e+01 1.02 5.187116289e+01 1.331250128e+02 5.727950189e+01 1.121434630e+02 4.261633517e+01 8.667233378e+01 1.04 4.657705873e+01 1.227064231e+02 5.138198046e+01 1.034225496e+02 3.952021508e+01 7.759495385e+01 1.06 4.183747478e+01 1.128558849e+02 4.609010119e+01 9.530980908e+01 3.665791631e+01 6.940082651e+01 1.08 3.759469966e+01 1.035530988e+02 4.134742215e+01 8.715041994e+01 3.401414415e+01 6.200495709e+01 1.10 3.379593600e+01 9.478192872e+01 3.710006444e+01 7.907839665e+01 3.157322160e+01 5.533065970e+01 1.12 3.039320772e+01 8.652852875e+01 3.329750343e+01 7.127829029e+01 2.931962957e+01 4.930867804e+01 1.14 2.734316682e+01 7.878000427e+01 2.989300172e+01 6.387210674e+01 2.723837337e+01 4.387641495e+01 1.16 2.460683352e+01 7.152347279e+01 2.684378437e+01 5.693485110e+01 2.531521915e+01 3.897725315e+01 1.18 2.214929872e+01 6.474544683e+01 2.411103580e+01 5.050670284e+01 2.353683447e+01 3.455995731e+01 1.20 1.993940757e+01 5.843146989e+01 2.165977552e+01 4.460243868e+01 2.189085907e+01 3.057814501e+01 1.22 1.794943736e+01 5.256594699e+01 1.945865485e+01 3.921868632e+01 2.036592532e+01 2.698981631e+01 1.24 1.615478168e+01 4.713211923e+01 1.747970796e+01 3.433946678e+01 1.895164386e+01 2.375693575e+01 1.26 1.453364607e+01 4.211214161e+01 1.569807859e+01 2.994040276e+01 1.763856548e+01 2.084505833e+01 1.28 1.306676018e+01 3.748723073e+01 1.409173906e+01 2.599188080e+01 1.641812772e+01 1.822299399e+01 1.30 1.173710974e+01 3.323785540e+01 1.264121349e+01 2.246139952e+01 1.528259287e+01 1.586250651e+01 1.32 1.052968860e+01 2.934394994e+01 1.132931143e+01 1.931528857e+01 1.422498140e+01 1.373804131e+01 1.34 9.431272148e+00 2.578513409e+01 1.014087775e+01 1.651994089e+01 1.323900452e+01 1.182647953e+01 1.36 8.430211752e+00 2.254092813e+01 9.062561330e+00 1.404267358e+01 1.231899820e+01 1.010691554e+01 1.38 7.516248920e+00 1.959095496e+01 8.082602913e+00 1.185230548e+01 1.145985982e+01 8.560454247e+00 1.40 6.680348866e+00 1.691512357e+01 7.190643399e+00 9.919522037e+00 1.065698888e+01 7.170027281e+00 1.42 5.914551887e+00 1.449379077e+01 6.377551369e+00 8.217081914e+00 9.906232158e+00 5.920225463e+00 1.44 5.211840969e+00 1.230789933e+01 5.635268788e+00 6.719906842e+00 9.203833482e+00 4.797145861e+00 1.46 4.566021544e+00 1.033909233e+01 4.956673608e+00 5.405088406e+00 8.546388034e+00 3.788252604e+00 1.48 3.971618400e+00 8.569804248e+00 4.335458425e+00 4.251835952e+00 7.930801617e+00 2.882249682e+00 1.50 3.423789627e+00 6.983329915e+00 3.766024066e+00 3.241384692e+00 7.354254837e+00 2.068964758e+00 1.52 2.918247051e+00 5.563873368e+00 3.243385523e+00 2.356879051e+00 6.814171068e+00 1.339243375e+00 1.54 2.451186170e+00 4.296578166e+00 2.763089309e+00 1.583240951e+00 6.308188170e+00 6.848521694e-01 1.56 2.019225023e+00 3.167541537e+00 2.321141379e+00 9.070315153e-01 5.834133729e+00 9.839066907e-02 1.58 1.619350962e+00 2.163814621e+00 1.913944631e+00 3.163119369e-01 5.390003498e+00 -4.267890123e-01 1.60 1.248874256e+00 1.273390540e+00 1.538244990e+00 -1.994931640e-01 4.973942613e+00 -8.966555297e-01 1.62 9.053878641e-01 4.851827098e-01 1.191085576e+00 -6.497264730e-01 4.584229366e+00 -1.316564948e+00 1.64 5.867325466e-01 -2.110048446e-01 8.697682599e-01 -1.042621397e+00 4.219261192e+00 -1.691321369e+00 1.66 2.909665832e-01 -8.245136511e-01 5.718220805e-01 -1.385417333e+00 3.877542563e+00 -2.025232118e+00 1.68 1.633961771e-02 -1.363871482e+00 2.949781782e-01 -1.684465835e+00 3.557674605e+00 -2.322157739e+00 1.70 -2.387300041e-01 -1.836836508e+00 3.715070887e-02 -1.945327976e+00 3.258346158e+00 -2.585557399e+00 1.72 -4.756748474e-01 -2.250443662e+00 -2.035766768e-01 -2.172862963e+00 2.978326078e+00 -2.818530051e+00 1.74 -6.957953263e-01 -2.611051967e+00 -4.289592364e-01 -2.371308166e+00 2.716456633e+00 -3.023851785e+00 1.76 -9.002743968e-01 -2.924392267e+00 -6.405950737e-01 -2.544351324e+00 2.471647785e+00 -3.204019477e+00 1.78 -1.090190277e+00 -3.195614473e+00 -8.399266183e-01 -2.695195276e+00 2.242872253e+00 -3.361306189e+00 1.80 -1.266527466e+00 -3.429333743e+00 -1.028241699e+00 -2.826615835e+00 2.029161228e+00 -3.497789222e+00 1.82 -1.430186349e+00 -3.629675025e+00 -1.206663056e+00 -2.941013364e+00 1.829600616e+00 -3.615366661e+00 1.84 -1.581991536e+00 -3.800315739e+00 -1.376141184e+00 -3.040458520e+00 1.643327737e+00 -3.715772365e+00 1.86 -1.722699152e+00 -3.944526367e+00 -1.537449723e+00 -3.126732922e+00 1.469528406e+00 -3.800589825e+00 1.88 -1.853003225e+00 -4.065208808e+00 -1.691183022e+00 -3.201365227e+00 1.307434306e+00 -3.871264897e+00 1.90 -1.973541295e+00 -4.164932226e+00 -1.837757467e+00 -3.265662976e+00 1.156320630e+00 -3.929117455e+00 1.92 -2.084899361e+00 -4.245966471e+00 -1.977418093e+00 -3.320740758e+00 1.015503926e+00 -3.975352112e+00 1.94 -2.187616278e+00 -4.310313064e+00 -2.110252735e+00 -3.367545087e+00 8.843401035e-01 -4.011068058e+00 1.96 -2.282187654e+00 -4.359733686e+00 -2.236222053e+00 -3.406876320e+00 7.622226007e-01 -4.037268082e+00 1.98 -2.369069692e+00 -4.395776385e+00 -2.355193947e+00 -3.439408023e+00 6.485806461e-01 -4.054866869e+00 2.00 -2.448687169e+00 -4.419799502e+00 -2.466974471e+00 -3.465704055e+00 5.428776241e-01 -4.064698618e+00 2.02 -2.521441571e+00 -4.432996272e+00 -2.571341759e+00 -3.486233635e+00 4.446095233e-01 -4.067524016e+00 2.04 -2.587709438e+00 -4.436437131e+00 -2.668080239e+00 -3.501388153e+00 3.533039128e-01 -4.064036659e+00 2.06 -2.647817630e+00 -4.431100446e+00 -2.757009002e+00 -3.511515029e+00 2.685218271e-01 -4.054868922e+00 2.08 -2.702066288e+00 -4.417881444e+00 -2.838011542e+00 -3.516938222e+00 1.898535494e-01 -4.040597337e+00 2.10 -2.750746705e+00 -4.397599060e+00 -2.911056607e+00 -3.517960964e+00 1.169150015e-01 -4.021747524e+00 2.12 -2.794141150e+00 -4.371002213e+00 -2.976206953e+00 -3.514867478e+00 4.934630950e-02 -3.998798677e+00 2.14 -2.832522636e+00 -4.338775575e+00 -3.033618829e+00 -3.507924619e+00 -1.319002562e-02 -3.972187677e+00 2.16 -2.866154781e+00 -4.301544884e+00 -3.083533529e+00 -3.497383438e+00 -7.101185140e-02 -3.942312822e+00 2.18 -2.895291720e+00 -4.259881798e+00 -3.126263237e+00 -3.483480657e+00 -1.244218035e-01 -3.909537230e+00 2.20 -2.920178097e+00 -4.214308381e+00 -3.162173726e+00 -3.466440049e+00 -1.737147306e-01 -3.874191920e+00 2.22 -2.941049096e+00 -4.165301200e+00 -3.191666326e+00 -3.446473714e+00 -2.191897577e-01 -3.836578615e+00 2.24 -2.958130525e+00 -4.113295100e+00 -3.215161120e+00 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