# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cr-Co-Fe # implementation = 2025--Sharifi-H--Cr-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 Co Co Cr Fe Co Fe Cr Cr Fe Fe Co Cr 0.02 4.307816124e+05 1.675293335e+04 4.151468523e+05 6.540873203e+02 4.000875199e+05 1.801675345e+04 0.04 1.801701080e+05 7.593945975e+03 1.737325163e+05 2.974270961e+02 1.675325584e+05 8.470930373e+03 0.06 1.025931362e+05 4.666495474e+03 9.897336918e+04 1.817366538e+02 9.548852264e+04 5.397659787e+03 0.08 6.660242451e+04 3.261162499e+03 6.427784945e+04 1.255085055e+02 6.204120064e+04 3.906526253e+03 0.10 4.657294020e+04 2.450943549e+03 4.496325285e+04 9.282445045e+01 4.341559740e+04 3.034928304e+03 0.12 3.417377209e+04 1.930577603e+03 3.300329443e+04 7.175739755e+01 3.187892766e+04 2.465872126e+03 0.14 2.593965471e+04 1.569320650e+03 2.505872675e+04 5.722441042e+01 2.421338265e+04 2.065656186e+03 0.16 2.019271284e+04 1.298237293e+03 1.951240785e+04 4.670291143e+01 1.886035540e+04 1.768660962e+03 0.18 1.603076639e+04 1.087310842e+03 1.549468987e+04 3.880451606e+01 1.498155631e+04 1.539156312e+03 0.20 1.292968224e+04 9.192325137e+02 1.250028004e+04 3.270530857e+01 1.208985465e+04 1.356137149e+03 0.22 1.056621973e+04 7.828529166e+02 1.021752284e+04 2.788735627e+01 9.884764039e+03 1.206496641e+03 0.24 8.731410747e+03 6.706318636e+02 8.444916866e+03 2.400993348e+01 8.171982361e+03 1.081655663e+03 0.26 7.284927075e+03 5.772633398e+02 7.047130720e+03 2.084044988e+01 6.820996645e+03 9.757724530e+02 0.28 6.129547928e+03 4.988886093e+02 5.930391613e+03 1.821516468e+01 5.741359459e+03 8.847343690e+02 0.30 5.196158670e+03 4.326237631e+02 5.028024825e+03 1.601577310e+01 4.868749574e+03 8.055626951e+02 0.32 4.434548282e+03 3.762635898e+02 4.291582744e+03 1.415486872e+01 4.156420575e+03 7.360462963e+02 0.34 3.807559190e+03 3.280890957e+02 3.685205369e+03 1.256660780e+01 3.569764456e+03 6.745081504e+02 0.36 3.287255585e+03 2.867384554e+02 3.181926516e+03 1.120054293e+01 3.082750729e+03 6.196521016e+02 0.38 2.852342662e+03 2.511178617e+02 2.761185811e+03 1.001743918e+01 2.675527836e+03 5.704593938e+02 0.40 2.486389463e+03 2.203384230e+02 2.407115282e+03 8.986373767e+00 2.332771206e+03 5.261171945e+02 0.42 2.176580828e+03 1.936705146e+02 2.107335971e+03 8.082685975e+00 2.042522934e+03 4.859681828e+02 0.44 1.912824018e+03 1.705100359e+02 1.852096416e+03 7.286499636e+00 1.795360987e+03 4.494742569e+02 0.46 1.687100247e+03 1.503530693e+02 1.633647230e+03 6.581642675e+00 1.583796014e+03 4.161899967e+02 0.48 1.492987289e+03 1.327765435e+02 1.445780590e+03 5.954845050e+00 1.401827125e+03 3.857429507e+02 0.50 1.325303243e+03 1.174232479e+02 1.283486546e+03 5.395134479e+00 1.244610302e+03 3.578187666e+02 0.52 1.179838313e+03 1.039901028e+02 1.142694190e+03 4.893376521e+00 1.108208636e+03 3.321498548e+02 0.54 1.053150549e+03 9.221885936e+01 1.020074511e+03 4.441920000e+00 9.894020459e+02 3.085066324e+02 0.56 9.424088246e+02 8.188864717e+01 9.128888098e+02 4.034320609e+00 8.855409446e+02 2.866906836e+02 0.58 8.452713503e+02 7.280996100e+01 8.188713902e+02 3.665123775e+00 7.944329653e+02 2.665293763e+02 0.60 7.597907505e+02 6.481975502e+01 7.361378834e+02 3.329692099e+00 7.142544237e+02 2.478715748e+02 0.62 6.843394404e+02 5.777741321e+01 6.631131607e+02 3.024067164e+00 6.434806809e+02 2.305841998e+02 0.64 6.175506291e+02 5.156142030e+01 5.984743298e+02 2.744858108e+00 5.808310654e+02 2.145494498e+02 0.66 5.582712803e+02 4.606658556e+01 5.411052752e+02 2.489150853e+00 5.252249402e+02 1.996625331e+02 0.68 5.055244638e+02 4.120171869e+01 4.900602655e+02 2.254433789e+00 4.757465247e+02 1.858298086e+02 0.70 4.584790508e+02 3.688767345e+01 4.445346547e+02 2.038536539e+00 4.316165687e+02 1.729672495e+02 0.72 4.164251474e+02 3.305568840e+01 4.038411265e+02 1.839579037e+00 3.921693794e+02 1.609991654e+02 0.74 3.787541340e+02 2.964597737e+01 3.673903885e+02 1.655929091e+00 3.568341505e+02 1.498571332e+02 0.76 3.449423452e+02 2.660652519e+01 3.346753852e+02 1.486166743e+00 3.251196896e+02 1.394790982e+02 0.78 3.145376557e+02 2.389205407e+01 3.052583204e+02 1.329054155e+00 2.966018623e+02 1.298086120e+02 0.80 2.871484355e+02 2.146313558e+01 2.787599683e+02 1.183510127e+00 2.709132492e+02 1.208265599e+02 0.82 2.624343921e+02 1.928542387e+01 2.548508125e+02 1.048588357e+00 2.477345700e+02 1.126616799e+02 0.84 2.400989552e+02 1.732899226e+01 2.332436741e+02 9.234588482e-01 2.267875477e+02 1.050851859e+02 0.86 2.198829288e+02 1.556775905e+01 2.136875668e+02 8.073919681e-01 2.078289608e+02 9.790368441e+01 0.88 2.015591625e+02 1.397898807e+01 1.959625387e+02 6.997446877e-01 1.906456484e+02 9.101063675e+01 0.90 1.849280744e+02 1.254285471e+01 1.798753372e+02 5.999487002e-01 1.750503133e+02 8.435624082e+01 0.92 1.698138758e+02 1.124206850e+01 1.652557535e+02 5.075001336e-01 1.608779817e+02 7.792592334e+01 0.94 1.560613679e+02 1.006154375e+01 1.519535204e+02 4.219505962e-01 1.479829998e+02 7.172534972e+01 0.96 1.435332248e+02 8.988112723e+00 1.398356817e+02 3.428993955e-01 1.362364852e+02 6.577023353e+01 0.98 1.321076774e+02 8.010275522e+00 1.287254415e+02 2.699867544e-01 1.255246901e+02 6.007962493e+01 1.00 1.216765299e+02 7.117981772e+00 1.178254325e+02 2.028878801e-01 1.154488517e+02 5.467170122e+01 1.02 1.121434630e+02 6.302440589e+00 1.071619771e+02 1.413077949e-01 1.053619247e+02 4.956132243e+01 1.04 1.034225496e+02 5.555954730e+00 9.695839783e+01 8.497681174e-02 9.551484895e+01 4.475880730e+01 1.06 9.530980908e+01 4.871776029e+00 8.735448841e+01 3.603504935e-02 8.610845183e+01 4.026953014e+01 1.08 8.715041994e+01 4.243979739e+00 7.842845616e+01 8.954065071e-02 7.726883824e+01 3.609404461e+01 1.10 7.907839665e+01 3.667355119e+00 7.021410167e+01 2.495766069e-01 6.906694180e+01 3.222852843e+01 1.12 7.127829029e+01 3.137310396e+00 6.271387203e+01 4.637947808e-01 6.153357747e+01 2.866539974e+01 1.14 6.387210674e+01 2.649790274e+00 5.590871555e+01 6.957144645e-01 5.467097347e+01 2.539400398e+01 1.16 5.693485110e+01 2.201204330e+00 4.976546302e+01 9.206616895e-01 4.846155540e+01 2.240130526e+01 1.18 5.050670284e+01 1.788364983e+00 4.424229031e+01 1.122801048e+00 4.287457436e+01 1.967253762e+01 1.20 4.460243868e+01 1.408433937e+00 3.929271196e+01 1.292822975e+00 3.787106516e+01 1.719179227e+01 1.22 3.921868632e+01 1.058875897e+00 3.486844880e+01 1.426151944e+00 3.340750793e+01 1.494252811e+01 1.24 3.433946678e+01 7.374185906e-01 3.092143962e+01 1.521570680e+00 2.943848831e+01 1.290800105e+01 1.26 2.994040276e+01 4.420183073e-01 2.740520810e+01 1.580170272e+00 2.591859236e+01 1.107161440e+01 1.28 2.599188080e+01 1.708302477e-01 2.427574652e+01 1.604552585e+00 2.280371524e+01 9.417195243e+00 1.30 2.246139952e+01 -7.781696704e-02 2.149204410e+01 1.598235746e+00 2.005192865e+01 7.929204265e+00 1.32 1.931528857e+01 -3.054433805e-01 1.901635514e+01 1.565216795e+00 1.762401721e+01 6.592887376e+00 1.34 1.651994089e+01 -5.134452953e-01 1.681428205e+01 1.509656407e+00 1.548377063e+01 5.394377506e+00 1.36 1.404267358e+01 -7.031293365e-01 1.485473008e+01 1.435657341e+00 1.359809925e+01 4.320755133e+00 1.38 1.185230548e+01 -8.757238770e-01 1.310977461e+01 1.347114597e+00 1.193702262e+01 3.360074912e+00 1.40 9.919522037e+00 -1.032383411e+00 1.155447423e+01 1.247619742e+00 1.047357218e+01 2.501365658e+00 1.42 8.217081914e+00 -1.174192610e+00 1.016665237e+01 1.140404641e+00 9.183636983e+00 1.734609741e+00 1.44 6.719906842e+00 -1.302170146e+00 8.926663649e+00 1.028310808e+00 8.045772174e+00 1.050707000e+00 1.46 5.405088406e+00 -1.417272330e+00 7.817158327e+00 9.137902971e-01 7.040990280e+00 4.414279573e-01 1.48 4.251835952e+00 -1.520396555e+00 6.822851889e+00 7.989196848e-01 6.152545446e+00 -1.006402211e-01 1.50 3.241384692e+00 -1.612384556e+00 5.930305607e+00 6.854210409e-01 5.365719107e+00 -5.821519747e-01 1.52 2.356879051e+00 -1.694025522e+00 5.127721880e+00 5.746890450e-01 4.667613481e+00 -1.009063263e+00 1.54 1.583240951e+00 -1.766059044e+00 4.404755380e+00 4.678216929e-01 4.046955723e+00 -1.386691547e+00 1.56 9.070315153e-01 -1.829177973e+00 3.752341266e+00 3.656524822e-01 3.493915675e+00 -1.719774299e+00 1.58 3.163119369e-01 -1.884031056e+00 3.162540444e+00 2.687826353e-01 2.999938413e+00 -2.012525028e+00 1.60 -1.994931640e-01 -1.931225420e+00 2.628400845e+00 1.776124476e-01 2.557591451e+00 -2.268686312e+00 1.62 -6.497264730e-01 -1.971328999e+00 2.143834334e+00 9.237096793e-02 2.160426420e+00 -2.491586116e+00 1.64 -1.042621397e+00 -2.004872840e+00 1.703507865e+00 1.314551209e-02 1.802855806e+00 -2.684235134e+00 1.66 -1.385417333e+00 -2.032353296e+00 1.302747571e+00 -6.008779955e-02 1.480043775e+00 -2.849396928e+00 1.68 -1.684465835e+00 -2.054234121e+00 9.374548488e-01 -1.274486061e-01 1.187808857e+00 -2.989610170e+00 1.70 -1.945327976e+00 -2.070948454e+00 6.040329317e-01 -1.891338778e-01 9.225379902e-01 -3.107206165e+00 1.72 -2.172862963e+00 -2.082900706e+00 2.993228716e-01 -2.453993303e-01 6.811110059e-01 -3.204324823e+00 1.74 -2.371308166e+00 -2.090468354e+00 2.054793809e-02 -2.965431204e-01 4.608346532e-01 -3.282929246e+00 1.76 -2.544351324e+00 -2.094003639e+00 -2.347347751e-01 -3.428916752e-01 2.593849439e-01 -3.344819115e+00 1.78 -2.695195276e+00 -2.093835167e+00 -4.686763008e-01 -3.847875424e-01 7.475703760e-02 -3.391642985e+00 1.80 -2.826615835e+00 -2.090269381e+00 -6.831721352e-01 -4.225791055e-01 -9.477821362e-02 -3.424909632e+00 1.82 -2.941013364e+00 -2.083592046e+00 -8.798938199e-01 -4.566120088e-01 -2.507119663e-01 -3.445998565e+00 1.84 -3.040458520e+00 -2.074069637e+00 -1.060316291e+00 -4.872221490e-01 -3.943299262e-01 -3.456169791e+00 1.86 -3.126732922e+00 -2.061950610e+00 -1.225741630e+00 -5.147300807e-01 -5.267400961e-01 -3.456572925e+00 1.88 -3.201365227e+00 -2.047466590e+00 -1.377319733e+00 -5.394368620e-01 -6.488966099e-01 -3.448255710e+00 1.90 -3.265662976e+00 -2.030833502e+00 -1.516066280e+00 -5.616255060e-01 -7.616215339e-01 -3.432172011e+00 1.92 -3.320740758e+00 -2.012263620e+00 -1.642878430e+00 -5.815580806e-01 -8.656229785e-01 -3.409189318e+00 1.94 -3.367545087e+00 -1.991984417e+00 -1.758548564e+00 -5.994682287e-01 -9.615105543e-01 -3.380095809e+00 1.96 -3.406876320e+00 -1.970208963e+00 -1.863776630e+00 -6.155606982e-01 -1.049808673e+00 -3.345606979e+00 1.98 -3.439408023e+00 -1.947131255e+00 -1.959191919e+00 -6.300118584e-01 -1.130969246e+00 -3.306371868e+00 2.00 -3.465704055e+00 -1.922927842e+00 -2.045384358e+00 -6.429707218e-01 -1.205397424e+00 -3.262978867e+00 2.02 -3.486233635e+00 -1.897759302e+00 -2.122912689e+00 -6.545603692e-01 -1.273475346e+00 -3.215986507e+00 2.04 -3.501388153e+00 -1.871771596e+00 -2.192306111e+00 -6.648803042e-01 -1.335565656e+00 -3.166002631e+00 2.06 -3.511515029e+00 -1.845097304e+00 -2.254065812e+00 -6.740121939e-01 -1.392012550e+00 -3.113588118e+00 2.08 -3.516938222e+00 -1.817856755e+00 -2.308666410e+00 -6.820245590e-01 -1.443142753e+00 -3.059231460e+00 2.10 -3.517960964e+00 -1.790159060e+00 -2.356557337e+00 -6.889752681e-01 -1.489266455e+00 -3.003357514e+00 2.12 -3.514867478e+00 -1.762103051e+00 -2.398164134e+00 -6.949137513e-01 -1.530678171e+00 -2.946335266e+00 2.14 -3.507924619e+00 -1.733778144e+00 -2.433889683e+00 -6.998830095e-01 -1.567657728e+00 -2.888484735e+00 2.16 -3.497383438e+00 -1.705265122e+00 -2.464115380e+00 -7.039213940e-01 -1.600471608e+00 -2.830083093e+00 2.18 -3.483480657e+00 -1.676636851e+00 -2.489202230e+00 -7.070626140e-01 -1.629372933e+00 -2.771370039e+00 2.20 -3.466440049e+00 -1.647958936e+00 -2.509491893e+00 -7.093324765e-01 -1.654601883e+00 -2.712552536e+00 2.22 -3.446473714e+00 -1.619290312e+00 -2.525307665e+00 -7.107559744e-01 -1.676386345e+00 -2.653808945e+00 2.24 -3.423783248e+00 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