# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Co-Ti-Al # implementation = 2025--Sharifi-H--Co-Ti-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 Co Ti Ti Ti Al Ti Al Al Co Co Al Co 0.02 1.680625357e+04 6.954133520e+02 8.205602174e+03 1.028140289e+05 4.307816124e+05 2.104396009e+05 0.04 7.332536242e+03 3.373286853e+02 3.620341894e+03 4.400192354e+04 1.801701080e+05 8.902048284e+04 0.06 4.327222940e+03 2.202533478e+02 2.155921370e+03 2.553665024e+04 1.025931362e+05 5.116734325e+04 0.08 2.900130663e+03 1.626789209e+02 1.455829595e+03 1.685684394e+04 6.660242451e+04 3.349160949e+04 0.10 2.088877610e+03 1.286863023e+02 1.055361569e+03 1.196920789e+04 4.657294020e+04 2.359753611e+04 0.12 1.576677558e+03 1.063475260e+02 8.010843850e+02 8.910587048e+03 3.417377209e+04 1.743972829e+04 0.14 1.230025135e+03 9.057880543e+01 6.280995444e+02 6.858160167e+03 2.593965471e+04 1.332913743e+04 0.16 9.834861733e+02 7.885673538e+01 5.044770353e+02 5.410802380e+03 2.019271284e+04 1.044524509e+04 0.18 8.015056651e+02 6.979212447e+01 4.128034068e+02 4.351605415e+03 1.603076639e+04 8.345679106e+03 0.20 6.632439931e+02 6.256026894e+01 3.428384880e+02 3.553960781e+03 1.292968224e+04 6.772866446e+03 0.22 5.557506495e+02 5.664246515e+01 2.882003824e+02 2.939466088e+03 1.056621973e+04 5.567641693e+03 0.24 4.705941922e+02 5.169723187e+01 2.447239014e+02 2.457234689e+03 8.731410747e+03 4.626901948e+03 0.26 4.020723681e+02 4.749123708e+01 2.095860330e+02 2.072950668e+03 7.284927075e+03 3.881258169e+03 0.28 3.462043138e+02 4.386001067e+01 1.808121109e+02 1.762727048e+03 6.129547928e+03 3.282515708e+03 0.30 3.001357842e+02 4.068452969e+01 1.569836326e+02 1.509490653e+03 5.196158670e+03 2.796313566e+03 0.32 2.617732056e+02 3.787667941e+01 1.370581095e+02 1.300762017e+03 4.434548282e+03 2.397607221e+03 0.34 2.295505840e+02 3.536991671e+01 1.202541327e+02 1.127243071e+03 3.807559190e+03 2.067796156e+03 0.36 2.022766162e+02 3.311310267e+01 1.059758958e+02 9.818915000e+02 3.287255585e+03 1.792841749e+03 0.38 1.790315598e+02 3.106631805e+01 9.376224179e+01 8.592966724e+02 2.852342662e+03 1.561998793e+03 0.40 1.590960763e+02 2.919796226e+01 8.325148881e+01 7.552492328e+02 2.486389463e+03 1.366941123e+03 0.42 1.419011222e+02 2.748270276e+01 7.415665115e+01 6.664381665e+02 2.176580828e+03 1.201146713e+03 0.44 1.269919412e+02 2.589999717e+01 6.624762916e+01 5.902332895e+02 1.912824018e+03 1.059456703e+03 0.46 1.140017975e+02 2.443301251e+01 5.933821299e+01 5.245267649e+02 1.687100247e+03 9.377545931e+02 0.48 1.026325185e+02 2.306782304e+01 5.327645137e+01 4.676158915e+02 1.492987289e+03 8.327294564e+02 0.50 9.263986730e+01 2.179280593e+01 4.793740652e+01 4.181151742e+02 1.325303243e+03 7.416987161e+02 0.52 8.382243489e+01 2.059818143e+01 4.321764776e+01 3.748897255e+02 1.179838313e+03 6.624742788e+02 0.54 7.601310042e+01 1.947565845e+01 3.903101313e+01 3.370042203e+02 1.053150549e+03 5.932602342e+02 0.56 6.907239696e+01 1.841815845e+01 3.530531195e+01 3.036833835e+02 9.424088246e+02 5.325739257e+02 0.58 6.288332090e+01 1.741959864e+01 3.197974050e+01 2.742811966e+02 8.452713503e+02 4.791846504e+02 0.60 5.734722814e+01 1.647471982e+01 2.900258879e+01 2.482566582e+02 7.597907505e+02 4.320655786e+02 0.62 5.238056743e+01 1.557894875e+01 2.676126568e+01 2.251545792e+02 6.843394404e+02 3.903558058e+02 0.64 4.791226509e+01 1.472828717e+01 2.635936593e+01 2.045902836e+02 6.175506291e+02 3.533302350e+02 0.66 4.388161232e+01 1.391922168e+01 2.727672714e+01 1.862373133e+02 5.582712803e+02 3.203754687e+02 0.68 4.023655193e+01 1.314865000e+01 2.901383965e+01 1.698175110e+02 5.055244638e+02 2.909704394e+02 0.70 3.693228119e+01 1.241382040e+01 3.119747886e+01 1.550929773e+02 4.584790508e+02 2.646707612e+02 0.72 3.393010403e+01 1.171228147e+01 3.355331262e+01 1.418595005e+02 4.164251474e+02 2.410959968e+02 0.74 3.119648642e+01 1.104184029e+01 3.588413459e+01 1.299411797e+02 3.787541340e+02 2.199192764e+02 0.76 2.870227403e+01 1.040052748e+01 3.805257043e+01 1.191859969e+02 3.449423452e+02 2.008441297e+02 0.78 2.642204115e+01 9.786567785e+00 3.996734029e+01 1.094621533e+02 3.145376557e+02 1.829989053e+02 0.80 2.433354795e+01 9.198355166e+00 4.157237523e+01 1.006550318e+02 2.871484355e+02 1.661335642e+02 0.82 2.241728522e+01 8.634431727e+00 4.283819411e+01 9.266466413e+01 2.624343921e+02 1.503810892e+02 0.84 2.065609142e+01 8.093469684e+00 4.375509578e+01 8.540361118e+01 2.400989552e+02 1.358030230e+02 0.86 1.903482994e+01 7.574255981e+00 4.432780591e+01 7.879518652e+01 2.198829288e+02 1.224103316e+02 0.88 1.754011533e+01 7.075679039e+00 4.457128065e+01 7.277195764e+01 2.015591625e+02 1.101789404e+02 0.90 1.616008105e+01 6.596717331e+00 4.450744165e+01 6.727448037e+01 1.849280744e+02 9.906131666e+01 0.92 1.488418161e+01 6.136429518e+00 4.416265304e+01 6.225022684e+01 1.698138758e+02 8.899505130e+01 0.94 1.370302335e+01 5.693945848e+00 4.356578985e+01 5.765267227e+01 1.560613679e+02 7.990916123e+01 0.96 1.260821961e+01 5.268460691e+00 4.274677884e+01 5.344048899e+01 1.435332248e+02 7.172865592e+01 0.98 1.159229774e+01 4.859226001e+00 4.173551320e+01 4.956436999e+01 1.321076774e+02 6.437779496e+01 1.00 1.071172926e+01 4.465545585e+00 4.056106344e+01 4.596041709e+01 1.216765299e+02 5.778235623e+01 1.02 1.040647050e+01 4.086770074e+00 3.925112122e+01 4.261633517e+01 1.121434630e+02 5.187116289e+01 1.04 1.056801911e+01 3.722292535e+00 3.783162517e+01 3.952021508e+01 1.034225496e+02 4.657705873e+01 1.06 1.100832979e+01 3.375393588e+00 3.632652849e+01 3.665791631e+01 9.530980908e+01 4.183747478e+01 1.08 1.158730555e+01 3.125213582e+00 3.475767447e+01 3.401414415e+01 8.715041994e+01 3.759469966e+01 1.10 1.220298445e+01 2.975852798e+00 3.314475495e+01 3.157322160e+01 7.907839665e+01 3.379593600e+01 1.12 1.278347187e+01 2.895310629e+00 3.150533018e+01 2.931962957e+01 7.127829029e+01 3.039320772e+01 1.14 1.328035776e+01 2.858122200e+00 2.985489307e+01 2.723837337e+01 6.387210674e+01 2.734316682e+01 1.16 1.366336050e+01 2.844248542e+00 2.820696575e+01 2.531521915e+01 5.693485110e+01 2.460683352e+01 1.18 1.391599863e+01 2.838204793e+00 2.657321700e+01 2.353683447e+01 5.050670284e+01 2.214929872e+01 1.20 1.403210742e+01 2.828304691e+00 2.496359292e+01 2.189085907e+01 4.460243868e+01 1.993940757e+01 1.22 1.401305334e+01 2.806007567e+00 2.338645493e+01 2.036592532e+01 3.921868632e+01 1.794943736e+01 1.24 1.386552617e+01 2.765357191e+00 2.184871963e+01 1.895164386e+01 3.433946678e+01 1.615478168e+01 1.26 1.359980194e+01 2.702500241e+00 2.035599745e+01 1.763856548e+01 2.994040276e+01 1.453364607e+01 1.28 1.322839235e+01 2.615275187e+00 1.891272748e+01 1.641812772e+01 2.599188080e+01 1.306676018e+01 1.30 1.276500876e+01 2.502863215e+00 1.752230615e+01 1.528259287e+01 2.246139952e+01 1.173710974e+01 1.32 1.222378009e+01 2.365492715e+00 1.618720901e+01 1.422498140e+01 1.931528857e+01 1.052968860e+01 1.34 1.161867596e+01 2.204190950e+00 1.490910450e+01 1.323900452e+01 1.651994089e+01 9.431272148e+00 1.36 1.096309326e+01 2.020576632e+00 1.368895923e+01 1.231899820e+01 1.404267358e+01 8.430211752e+00 1.38 1.026957275e+01 1.816687721e+00 1.252713489e+01 1.145985982e+01 1.185230548e+01 7.516248920e+00 1.40 9.549617428e+00 1.594839920e+00 1.142347653e+01 1.065698888e+01 9.919522037e+00 6.680348866e+00 1.42 8.813589923e+00 1.357511381e+00 1.037739251e+01 9.906232158e+00 8.217081914e+00 5.914551887e+00 1.44 8.070670477e+00 1.107249919e+00 9.387926603e+00 9.203833482e+00 6.719906842e+00 5.211840969e+00 1.46 7.328859961e+00 8.465994421e-01 8.453821938e+00 8.546388034e+00 5.405088406e+00 4.566021544e+00 1.48 6.595016073e+00 5.780426412e-01 7.573578361e+00 7.930801617e+00 4.251835952e+00 3.971618400e+00 1.50 5.874912968e+00 3.039574459e-01 6.745503667e+00 7.354254837e+00 3.241384692e+00 3.423789627e+00 1.52 5.173316173e+00 2.658497404e-02 5.967758282e+00 6.814171068e+00 2.356879051e+00 2.918247051e+00 1.54 4.494067249e+00 -2.519929042e-01 5.238394190e+00 6.308188170e+00 1.583240951e+00 2.451186170e+00 1.56 3.840173123e+00 -5.298680809e-01 4.555388645e+00 5.834133729e+00 9.070315153e-01 2.019225023e+00 1.58 3.213896486e+00 -8.053142882e-01 3.916673218e+00 5.390003498e+00 3.163119369e-01 1.619350962e+00 1.60 2.616844867e+00 -1.076789893e+00 3.320158636e+00 4.973942613e+00 -1.994931640e-01 1.248874256e+00 1.62 2.050056094e+00 -1.342936558e+00 2.763755827e+00 4.584229366e+00 -6.497264730e-01 9.053878641e-01 1.64 1.514078941e+00 -1.602574650e+00 2.245393585e+00 4.219261192e+00 -1.042621397e+00 5.867325466e-01 1.66 1.009048142e+00 -1.854696122e+00 1.763033225e+00 3.877542563e+00 -1.385417333e+00 2.909665832e-01 1.68 5.347530456e-01 -2.098455587e+00 1.314680576e+00 3.557674605e+00 -1.684465835e+00 1.633961771e-02 1.70 9.069987130e-02 -2.333160086e+00 8.983956346e-01 3.258346158e+00 -1.945327976e+00 -2.387300041e-01 1.72 -3.238325315e-01 -2.558257986e+00 5.123001522e-01 2.978326078e+00 -2.172862963e+00 -4.756748474e-01 1.74 -7.097433088e-01 -2.773327430e+00 1.545834500e-01 2.716456633e+00 -2.371308166e+00 -6.957953263e-01 1.76 -1.068066249e+00 -2.978064589e+00 -1.764933285e-01 2.471647785e+00 -2.544351324e+00 -9.002743968e-01 1.78 -1.399932178e+00 -3.172271981e+00 -4.825942985e-01 2.242872253e+00 -2.695195276e+00 -1.090190277e+00 1.80 -1.706536679e+00 -3.355847063e+00 -7.653070413e-01 2.029161228e+00 -2.826615835e+00 -1.266527466e+00 1.82 -1.989112675e+00 -3.528771197e+00 -1.026141801e+00 1.829600616e+00 -2.941013364e+00 -1.430186349e+00 1.84 -2.248907467e+00 -3.691099157e+00 -1.266531483e+00 1.643327737e+00 -3.040458520e+00 -1.581991536e+00 1.86 -2.487163754e+00 -3.842949221e+00 -1.487832325e+00 1.469528406e+00 -3.126732922e+00 -1.722699152e+00 1.88 -2.705104213e+00 -3.984493896e+00 -1.691325149e+00 1.307434306e+00 -3.201365227e+00 -1.853003225e+00 1.90 -2.903919213e+00 -4.115951344e+00 -1.878217043e+00 1.156320630e+00 -3.265662976e+00 -1.973541295e+00 1.92 -3.084757281e+00 -4.237577491e+00 -2.049643418e+00 1.015503926e+00 -3.320740758e+00 -2.084899361e+00 1.94 -3.248717953e+00 -4.349658822e+00 -2.206670349e+00 8.843401035e-01 -3.367545087e+00 -2.187616278e+00 1.96 -3.396846655e+00 -4.452505875e+00 -2.350297119e+00 7.622226007e-01 -3.406876320e+00 -2.282187654e+00 1.98 -3.530131347e+00 -4.546447386e+00 -2.481458925e+00 6.485806461e-01 -3.439408023e+00 -2.369069692e+00 2.00 -3.649500714e+00 -4.631825067e+00 -2.601029697e+00 5.428776241e-01 -3.465704055e+00 -2.448687169e+00 2.02 -3.755826169e+00 -4.708988997e+00 -2.709825131e+00 4.446095233e-01 -3.486233635e+00 -2.521441571e+00 2.04 -3.849928126e+00 -4.778293569e+00 -2.808605883e+00 3.533039128e-01 -3.501388153e+00 -2.587709438e+00 2.06 -3.932580022e+00 -4.840093977e+00 -2.898077977e+00 2.685218271e-01 -3.511515029e+00 -2.647817630e+00 2.08 -4.004511416e+00 -4.894743163e+00 -2.978897686e+00 1.898535494e-01 -3.516938222e+00 -2.702066288e+00 2.10 -4.066410855e+00 -4.942589068e+00 -3.051667451e+00 1.169150015e-01 -3.517960964e+00 -2.750746705e+00 2.12 -4.118928489e+00 -4.983972621e+00 -3.116947015e+00 4.934630950e-02 -3.514867478e+00 -2.794141150e+00 2.14 -4.162678484e+00 -5.019226057e+00 -3.175262050e+00 -1.319002562e-02 -3.507924619e+00 -2.832522636e+00 2.16 -4.198241229e+00 -5.048671458e+00 -3.227106175e+00 -7.101185140e-02 -3.497383438e+00 -2.866154781e+00 2.18 -4.226165335e+00 -5.072619601e+00 -3.272942815e+00 -1.244218035e-01 -3.483480657e+00 -2.895291720e+00 2.20 -4.246969475e+00 -5.091369074e+00 -3.313206942e+00 -1.737147306e-01 -3.466440049e+00 -2.920178097e+00 2.22 -4.261144056e+00 -5.105205634e+00 -3.348306720e+00 -2.191897577e-01 -3.446473714e+00 -2.941049096e+00 2.24 -4.269152738e+00 -5.114401778e+00 -3.378625042e+00 -2.611688387e-01 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