# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cr-Ti-Co # implementation = 2025--Sharifi-H--Cr-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 Co Cr Cr Cr Ti Ti Co Co Cr Ti 0.02 1.680625357e+04 1.801675345e+04 6.540873203e+02 6.954133520e+02 4.307816124e+05 2.417615167e+03 0.04 7.332536242e+03 8.470930373e+03 2.974270961e+02 3.373286853e+02 1.801701080e+05 1.956583763e+03 0.06 4.327222940e+03 5.397659787e+03 1.817366538e+02 2.202533478e+02 1.025931362e+05 1.742489161e+03 0.08 2.900130663e+03 3.906526253e+03 1.255085055e+02 1.626789209e+02 6.660242451e+04 1.593490992e+03 0.10 2.088877610e+03 3.034928304e+03 9.282445045e+01 1.286863023e+02 4.657294020e+04 1.473356432e+03 0.12 1.576677558e+03 2.465872126e+03 7.175739755e+01 1.063475260e+02 3.417377209e+04 1.369861028e+03 0.14 1.230025135e+03 2.065656186e+03 5.722441042e+01 9.057880543e+01 2.593965471e+04 1.277640817e+03 0.16 9.834861733e+02 1.768660962e+03 4.670291143e+01 7.885673538e+01 2.019271284e+04 1.193907638e+03 0.18 8.015056651e+02 1.539156312e+03 3.880451606e+01 6.979212447e+01 1.603076639e+04 1.117022131e+03 0.20 6.632439931e+02 1.356137149e+03 3.270530857e+01 6.256026894e+01 1.292968224e+04 1.045923220e+03 0.22 5.557506495e+02 1.206496641e+03 2.788735627e+01 5.664246515e+01 1.056621973e+04 9.798688751e+02 0.24 4.705941922e+02 1.081655663e+03 2.400993348e+01 5.169723187e+01 8.731410747e+03 9.183066274e+02 0.26 4.020723681e+02 9.757724530e+02 2.084044988e+01 4.749123708e+01 7.284927075e+03 8.608038250e+02 0.28 3.462043138e+02 8.847343690e+02 1.821516468e+01 4.386001067e+01 6.129547928e+03 8.070077107e+02 0.30 3.001357842e+02 8.055626951e+02 1.601577310e+01 4.068452969e+01 5.196158670e+03 7.566214065e+02 0.32 2.617732056e+02 7.360462963e+02 1.415486872e+01 3.787667941e+01 4.434548282e+03 7.093888067e+02 0.34 2.295505840e+02 6.745081504e+02 1.256660780e+01 3.536991671e+01 3.807559190e+03 6.650847035e+02 0.36 2.022766162e+02 6.196521016e+02 1.120054293e+01 3.311310267e+01 3.287255585e+03 6.235081108e+02 0.38 1.790315598e+02 5.704593938e+02 1.001743918e+01 3.106631805e+01 2.852342662e+03 5.844775978e+02 0.40 1.590960763e+02 5.261171945e+02 8.986373767e+00 2.919796226e+01 2.486389463e+03 5.478279330e+02 0.42 1.419011222e+02 4.859681828e+02 8.082685975e+00 2.748270276e+01 2.176580828e+03 5.134076024e+02 0.44 1.269919412e+02 4.494742569e+02 7.286499636e+00 2.589999717e+01 1.912824018e+03 4.810769240e+02 0.46 1.140017975e+02 4.161899967e+02 6.581642675e+00 2.443301251e+01 1.687100247e+03 4.507065812e+02 0.48 1.026325185e+02 3.857429507e+02 5.954845050e+00 2.306782304e+01 1.492987289e+03 4.221764559e+02 0.50 9.263986730e+01 3.578187666e+02 5.395134479e+00 2.179280593e+01 1.325303243e+03 3.953746787e+02 0.52 8.382243489e+01 3.321498548e+02 4.893376521e+00 2.059818143e+01 1.179838313e+03 3.701968429e+02 0.54 7.601310042e+01 3.085066324e+02 4.441920000e+00 1.947565845e+01 1.053150549e+03 3.465453411e+02 0.56 6.907239696e+01 2.866906836e+02 4.034320609e+00 1.841815845e+01 9.424088246e+02 3.243287970e+02 0.58 6.288332090e+01 2.665293763e+02 3.665123775e+00 1.741959864e+01 8.452713503e+02 3.034615723e+02 0.60 5.734722814e+01 2.478715748e+02 3.329692099e+00 1.647471982e+01 7.597907505e+02 2.838633329e+02 0.62 5.238056743e+01 2.305841998e+02 3.024067164e+00 1.557894875e+01 6.843394404e+02 2.654586646e+02 0.64 4.791226509e+01 2.145494498e+02 2.744858108e+00 1.472828717e+01 6.175506291e+02 2.481767283e+02 0.66 4.388161232e+01 1.996625331e+02 2.489150853e+00 1.391922168e+01 5.582712803e+02 2.319509485e+02 0.68 4.023655193e+01 1.858298086e+02 2.254433789e+00 1.314865000e+01 5.055244638e+02 2.167187309e+02 0.70 3.693228119e+01 1.729672495e+02 2.038536539e+00 1.241382040e+01 4.584790508e+02 2.024212039e+02 0.72 3.393010403e+01 1.609991654e+02 1.839579037e+00 1.171228147e+01 4.164251474e+02 1.890029819e+02 0.74 3.119648642e+01 1.498571332e+02 1.655929091e+00 1.104184029e+01 3.787541340e+02 1.764119463e+02 0.76 2.870227403e+01 1.394790982e+02 1.486166743e+00 1.040052748e+01 3.449423452e+02 1.645990437e+02 0.78 2.642204115e+01 1.298086120e+02 1.329054155e+00 9.786567785e+00 3.145376557e+02 1.535180984e+02 0.80 2.433354795e+01 1.208265599e+02 1.183510127e+00 9.198355166e+00 2.871484355e+02 1.431256384e+02 0.82 2.241728522e+01 1.126616799e+02 1.048588357e+00 8.634431727e+00 2.624343921e+02 1.333807331e+02 0.84 2.065609142e+01 1.050851859e+02 9.234588482e-01 8.093469684e+00 2.400989552e+02 1.242448414e+02 0.86 1.903482994e+01 9.790368441e+01 8.073919681e-01 7.574255981e+00 2.198829288e+02 1.156816709e+02 0.88 1.754011533e+01 9.101063675e+01 6.997446877e-01 7.075679039e+00 2.015591625e+02 1.076570448e+02 0.90 1.616008105e+01 8.435624082e+01 5.999487002e-01 6.596717331e+00 1.849280744e+02 1.001387779e+02 0.92 1.488418161e+01 7.792592334e+01 5.075001336e-01 6.136429518e+00 1.698138758e+02 9.309656049e+01 0.94 1.370302335e+01 7.172534972e+01 4.219505962e-01 5.693945848e+00 1.560613679e+02 8.650184890e+01 0.96 1.260821961e+01 6.577023353e+01 3.428993955e-01 5.268460691e+00 1.435332248e+02 8.032776287e+01 0.98 1.159229774e+01 6.007962493e+01 2.699867544e-01 4.859226001e+00 1.321076774e+02 7.454898915e+01 1.00 1.071172926e+01 5.467170122e+01 2.028878801e-01 4.465545585e+00 1.216765299e+02 6.914171131e+01 1.02 1.040647050e+01 4.956132243e+01 1.413077949e-01 4.086770074e+00 1.121434630e+02 6.417701021e+01 1.04 1.056801911e+01 4.475880730e+01 8.497681174e-02 3.722292535e+00 1.034225496e+02 6.013700376e+01 1.06 1.100832979e+01 4.026953014e+01 3.603504935e-02 3.375393588e+00 9.530980908e+01 5.680175785e+01 1.08 1.158730555e+01 3.609404461e+01 8.954065071e-02 3.125213582e+00 8.715041994e+01 5.391244668e+01 1.10 1.220298445e+01 3.222852843e+01 2.495766069e-01 2.975852798e+00 7.907839665e+01 5.128979991e+01 1.12 1.278347187e+01 2.866539974e+01 4.637947808e-01 2.895310629e+00 7.127829029e+01 4.881398017e+01 1.14 1.328035776e+01 2.539400398e+01 6.957144645e-01 2.858122200e+00 6.387210674e+01 4.640881865e+01 1.16 1.366336050e+01 2.240130526e+01 9.206616895e-01 2.844248542e+00 5.693485110e+01 4.402967726e+01 1.18 1.391599863e+01 1.967253762e+01 1.122801048e+00 2.838204793e+00 5.050670284e+01 4.165418913e+01 1.20 1.403210742e+01 1.719179227e+01 1.292822975e+00 2.828304691e+00 4.460243868e+01 3.927525090e+01 1.22 1.401305334e+01 1.494252811e+01 1.426151944e+00 2.806007567e+00 3.921868632e+01 3.689577852e+01 1.24 1.386552617e+01 1.290800105e+01 1.521570680e+00 2.765357191e+00 3.433946678e+01 3.452483839e+01 1.26 1.359980194e+01 1.107161440e+01 1.580170272e+00 2.702500241e+00 2.994040276e+01 3.217483842e+01 1.28 1.322839235e+01 9.417195243e+00 1.604552585e+00 2.615275187e+00 2.599188080e+01 2.985953565e+01 1.30 1.276500876e+01 7.929204265e+00 1.598235746e+00 2.502863215e+00 2.246139952e+01 2.759266446e+01 1.32 1.222378009e+01 6.592887376e+00 1.565216795e+00 2.365492715e+00 1.931528857e+01 2.538703265e+01 1.34 1.161867596e+01 5.394377506e+00 1.509656407e+00 2.204190950e+00 1.651994089e+01 2.325396610e+01 1.36 1.096309326e+01 4.320755133e+00 1.435657341e+00 2.020576632e+00 1.404267358e+01 2.120300841e+01 1.38 1.026957275e+01 3.360074912e+00 1.347114597e+00 1.816687721e+00 1.185230548e+01 1.924180230e+01 1.40 9.549617428e+00 2.501365658e+00 1.247619742e+00 1.594839920e+00 9.919522037e+00 1.737609845e+01 1.42 8.813589923e+00 1.734609741e+00 1.140404641e+00 1.357511381e+00 8.217081914e+00 1.560985029e+01 1.44 8.070670477e+00 1.050707000e+00 1.028310808e+00 1.107249919e+00 6.719906842e+00 1.394536330e+01 1.46 7.328859961e+00 4.414279573e-01 9.137902971e-01 8.465994421e-01 5.405088406e+00 1.238347436e+01 1.48 6.595016073e+00 -1.006402211e-01 7.989196848e-01 5.780426412e-01 4.251835952e+00 1.092374494e+01 1.50 5.874912968e+00 -5.821519747e-01 6.854210409e-01 3.039574459e-01 3.241384692e+00 9.564655753e+00 1.52 5.173316173e+00 -1.009063263e+00 5.746890450e-01 2.658497404e-02 2.356879051e+00 8.303794984e+00 1.54 4.494067249e+00 -1.386691547e+00 4.678216929e-01 -2.519929042e-01 1.583240951e+00 7.138034407e+00 1.56 3.840173123e+00 -1.719774299e+00 3.656524822e-01 -5.298680809e-01 9.070315153e-01 6.063688751e+00 1.58 3.213896486e+00 -2.012525028e+00 2.687826353e-01 -8.053142882e-01 3.163119369e-01 5.076659643e+00 1.60 2.616844867e+00 -2.268686312e+00 1.776124476e-01 -1.076789893e+00 -1.994931640e-01 4.172562444e+00 1.62 2.050056094e+00 -2.491586116e+00 9.237096793e-02 -1.342936558e+00 -6.497264730e-01 3.346834546e+00 1.64 1.514078941e+00 -2.684235134e+00 1.314551209e-02 -1.602574650e+00 -1.042621397e+00 2.594827163e+00 1.66 1.009048142e+00 -2.849396928e+00 -6.008779955e-02 -1.854696122e+00 -1.385417333e+00 1.911881805e+00 1.68 5.347530456e-01 -2.989610170e+00 -1.274486061e-01 -2.098455587e+00 -1.684465835e+00 1.293392727e+00 1.70 9.069987130e-02 -3.107206165e+00 -1.891338778e-01 -2.333160086e+00 -1.945327976e+00 7.348569371e-01 1.72 -3.238325315e-01 -3.204324823e+00 -2.453993303e-01 -2.558257986e+00 -2.172862963e+00 2.319131751e-01 1.74 -7.097433088e-01 -3.282929246e+00 -2.965431204e-01 -2.773327430e+00 -2.371308166e+00 -2.196286664e-01 1.76 -1.068066249e+00 -3.344819115e+00 -3.428916752e-01 -2.978064589e+00 -2.544351324e+00 -6.237663108e-01 1.78 -1.399932178e+00 -3.391642985e+00 -3.847875424e-01 -3.172271981e+00 -2.695195276e+00 -9.842906288e-01 1.80 -1.706536679e+00 -3.424909632e+00 -4.225791055e-01 -3.355847063e+00 -2.826615835e+00 -1.304776026e+00 1.82 -1.989112675e+00 -3.445998565e+00 -4.566120088e-01 -3.528771197e+00 -2.941013364e+00 -1.588577807e+00 1.84 -2.248907467e+00 -3.456169791e+00 -4.872221490e-01 -3.691099157e+00 -3.040458520e+00 -1.838832948e+00 1.86 -2.487163754e+00 -3.456572925e+00 -5.147300807e-01 -3.842949221e+00 -3.126732922e+00 -2.058463172e+00 1.88 -2.705104213e+00 -3.448255710e+00 -5.394368620e-01 -3.984493896e+00 -3.201365227e+00 -2.250180434e+00 1.90 -2.903919213e+00 -3.432172011e+00 -5.616255060e-01 -4.115951344e+00 -3.265662976e+00 -2.416494187e+00 1.92 -3.084757281e+00 -3.409189318e+00 -5.815580806e-01 -4.237577491e+00 -3.320740758e+00 -2.559719960e+00 1.94 -3.248717953e+00 -3.380095809e+00 -5.994682287e-01 -4.349658822e+00 -3.367545087e+00 -2.681988855e+00 1.96 -3.396846655e+00 -3.345606979e+00 -6.155606982e-01 -4.452505875e+00 -3.406876320e+00 -2.785257573e+00 1.98 -3.530131347e+00 -3.306371868e+00 -6.300118584e-01 -4.546447386e+00 -3.439408023e+00 -2.871318763e+00 2.00 -3.649500714e+00 -3.262978867e+00 -6.429707218e-01 -4.631825067e+00 -3.465704055e+00 -2.941811420e+00 2.02 -3.755826169e+00 -3.215986507e+00 -6.545603692e-01 -4.708988997e+00 -3.486233635e+00 -2.998231180e+00 2.04 -3.849928126e+00 -3.166002631e+00 -6.648803042e-01 -4.778293569e+00 -3.501388153e+00 -3.041940692e+00 2.06 -3.932580022e+00 -3.113588118e+00 -6.740121939e-01 -4.840093977e+00 -3.511515029e+00 -3.074183333e+00 2.08 -4.004511416e+00 -3.059231460e+00 -6.820245590e-01 -4.894743163e+00 -3.516938222e+00 -3.096092393e+00 2.10 -4.066410855e+00 -3.003357514e+00 -6.889752681e-01 -4.942589068e+00 -3.517960964e+00 -3.108669167e+00 2.12 -4.118928489e+00 -2.946335266e+00 -6.949137513e-01 -4.983972621e+00 -3.514867478e+00 -3.112817557e+00 2.14 -4.162678484e+00 -2.888484735e+00 -6.998830095e-01 -5.019226057e+00 -3.507924619e+00 -3.109370613e+00 2.16 -4.198241229e+00 -2.830083093e+00 -7.039213940e-01 -5.048671458e+00 -3.497383438e+00 -3.099095702e+00 2.18 -4.226165335e+00 -2.771370039e+00 -7.070626140e-01 -5.072619601e+00 -3.483480657e+00 -3.082699196e+00 2.20 -4.246969475e+00 -2.712552536e+00 -7.093324765e-01 -5.091369074e+00 -3.466440049e+00 -3.060830851e+00 2.22 -4.261144056e+00 -2.653808945e+00 -7.107559744e-01 -5.105205634e+00 -3.446473714e+00 -3.034087916e+00 2.24 -4.269152738e+00 -2.595292631e+00 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