# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cr-Co-Al # implementation = 2025--Sharifi-H--Cr-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 Co Cr Cr Cr Al Co Al Al Al Cr Co Co 0.02 1.801675345e+04 6.540873203e+02 2.104396009e+05 1.028140289e+05 8.200048867e+03 4.307816124e+05 0.04 8.470930373e+03 2.974270961e+02 8.902048284e+04 4.400192354e+04 3.615093586e+03 1.801701080e+05 0.06 5.397659787e+03 1.817366538e+02 5.116734325e+04 2.553665024e+04 2.150968855e+03 1.025931362e+05 0.08 3.906526253e+03 1.255085055e+02 3.349160949e+04 1.685684394e+04 1.451163925e+03 6.660242451e+04 0.10 3.034928304e+03 9.282445045e+01 2.359753611e+04 1.196920789e+04 1.050974036e+03 4.657294020e+04 0.12 2.465872126e+03 7.175739755e+01 1.743972829e+04 8.910587048e+03 7.969665067e+02 3.417377209e+04 0.14 2.065656186e+03 5.722441042e+01 1.332913743e+04 6.858160167e+03 6.242430482e+02 2.593965471e+04 0.16 1.768660962e+03 4.670291143e+01 1.044524509e+04 5.410802380e+03 5.008738466e+02 2.019271284e+04 0.18 1.539156312e+03 3.880451606e+01 8.345679106e+03 4.351605415e+03 4.094456364e+02 1.603076639e+04 0.20 1.356137149e+03 3.270530857e+01 6.772866446e+03 3.553960781e+03 3.397184205e+02 1.292968224e+04 0.22 1.206496641e+03 2.788735627e+01 5.567641693e+03 2.939466088e+03 2.853104657e+02 1.056621973e+04 0.24 1.081655663e+03 2.400993348e+01 4.626901948e+03 2.457234689e+03 2.420567376e+02 8.731410747e+03 0.26 9.757724530e+02 2.084044988e+01 3.881258169e+03 2.072950668e+03 2.071343696e+02 7.284927075e+03 0.28 8.847343690e+02 1.821516468e+01 3.282515708e+03 1.762727048e+03 1.785688338e+02 6.129547928e+03 0.30 8.055626951e+02 1.601577310e+01 2.796313566e+03 1.509490653e+03 1.549417593e+02 5.196158670e+03 0.32 7.360462963e+02 1.415486872e+01 2.397607221e+03 1.300762017e+03 1.352107840e+02 4.434548282e+03 0.34 6.745081504e+02 1.256660780e+01 2.067796156e+03 1.127243071e+03 1.185946205e+02 3.807559190e+03 0.36 6.196521016e+02 1.120054293e+01 1.792841749e+03 9.818915000e+02 1.044975804e+02 3.287255585e+03 0.38 5.704593938e+02 1.001743918e+01 1.561998793e+03 8.592966724e+02 9.245862238e+01 2.852342662e+03 0.40 5.261171945e+02 8.986373767e+00 1.366941123e+03 7.552492328e+02 8.211617752e+01 2.486389463e+03 0.42 4.859681828e+02 8.082685975e+00 1.201146713e+03 6.664381665e+02 7.318337218e+01 2.176580828e+03 0.44 4.494742569e+02 7.286499636e+00 1.059456703e+03 5.902332895e+02 6.543021811e+01 1.912824018e+03 0.46 4.161899967e+02 6.581642675e+00 9.377545931e+02 5.245267649e+02 5.867061687e+01 1.687100247e+03 0.48 3.857429507e+02 5.954845050e+00 8.327294564e+02 4.676158915e+02 5.275272922e+01 1.492987289e+03 0.50 3.578187666e+02 5.395134479e+00 7.416987161e+02 4.181151742e+02 4.755173052e+01 1.325303243e+03 0.52 3.321498548e+02 4.893376521e+00 6.624742788e+02 3.748897255e+02 4.296430473e+01 1.179838313e+03 0.54 3.085066324e+02 4.441920000e+00 5.932602342e+02 3.370042203e+02 3.890440640e+01 1.053150549e+03 0.56 2.866906836e+02 4.034320609e+00 5.325739257e+02 3.036833835e+02 3.529996359e+01 9.424088246e+02 0.58 2.665293763e+02 3.665123775e+00 4.791846504e+02 2.742811966e+02 3.209029364e+01 8.452713503e+02 0.60 2.478715748e+02 3.329692099e+00 4.320655786e+02 2.482566582e+02 2.922405590e+01 7.597907505e+02 0.62 2.305841998e+02 3.024067164e+00 3.903558058e+02 2.251545792e+02 2.665761808e+01 6.843394404e+02 0.64 2.145494498e+02 2.744858108e+00 3.533302350e+02 2.045902836e+02 2.435374507e+01 6.175506291e+02 0.66 1.996625331e+02 2.489150853e+00 3.203754687e+02 1.862373133e+02 2.228053650e+01 5.582712803e+02 0.68 1.858298086e+02 2.254433789e+00 2.909704394e+02 1.698175110e+02 2.041056257e+01 5.055244638e+02 0.70 1.729672495e+02 2.038536539e+00 2.646707612e+02 1.550929773e+02 1.872015694e+01 4.584790508e+02 0.72 1.609991654e+02 1.839579037e+00 2.410959968e+02 1.418595005e+02 1.718883374e+01 4.164251474e+02 0.74 1.498571332e+02 1.655929091e+00 2.199192764e+02 1.299411797e+02 1.579880606e+01 3.787541340e+02 0.76 1.394790982e+02 1.486166743e+00 2.008441297e+02 1.191859969e+02 1.453458561e+01 3.449423452e+02 0.78 1.298086120e+02 1.329054155e+00 1.829989053e+02 1.094621533e+02 1.338256160e+01 3.145376557e+02 0.80 1.208265599e+02 1.183510127e+00 1.661335642e+02 1.006550318e+02 1.228232248e+01 2.871484355e+02 0.82 1.126616799e+02 1.048588357e+00 1.503810892e+02 9.266466413e+01 1.110424424e+01 2.624343921e+02 0.84 1.050851859e+02 9.234588482e-01 1.358030230e+02 8.540361118e+01 9.891264337e+00 2.400989552e+02 0.86 9.790368441e+01 8.073919681e-01 1.224103316e+02 7.879518652e+01 8.685169431e+00 2.198829288e+02 0.88 9.101063675e+01 6.997446877e-01 1.101789404e+02 7.277195764e+01 7.516558469e+00 2.015591625e+02 0.90 8.435624082e+01 5.999487002e-01 9.906131666e+01 6.727448037e+01 6.407034532e+00 1.849280744e+02 0.92 7.792592334e+01 5.075001336e-01 8.899505130e+01 6.225022684e+01 5.371031318e+00 1.698138758e+02 0.94 7.172534972e+01 4.219505962e-01 7.990916123e+01 5.765267227e+01 4.417331670e+00 1.560613679e+02 0.96 6.577023353e+01 3.428993955e-01 7.172865592e+01 5.344048899e+01 3.550321748e+00 1.435332248e+02 0.98 6.007962493e+01 2.699867544e-01 6.437779496e+01 4.956436999e+01 2.771023154e+00 1.321076774e+02 1.00 5.467170122e+01 2.028878801e-01 5.778235623e+01 4.596041709e+01 2.077937483e+00 1.216765299e+02 1.02 4.956132243e+01 1.413077949e-01 5.187116289e+01 4.261633517e+01 1.467731788e+00 1.121434630e+02 1.04 4.475880730e+01 8.497681174e-02 4.657705873e+01 3.952021508e+01 9.357914700e-01 1.034225496e+02 1.06 4.026953014e+01 3.603504935e-02 4.183747478e+01 3.665791631e+01 4.766616587e-01 9.530980908e+01 1.08 3.609404461e+01 8.954065071e-02 3.759469966e+01 3.401414415e+01 8.439561777e-02 8.715041994e+01 1.10 3.222852843e+01 2.495766069e-01 3.379593600e+01 3.157322160e+01 -2.471737450e-01 7.907839665e+01 1.12 2.866539974e+01 4.637947808e-01 3.039320772e+01 2.931962957e+01 -5.242261419e-01 7.127829029e+01 1.14 2.539400398e+01 6.957144645e-01 2.734316682e+01 2.723837337e+01 -7.527983105e-01 6.387210674e+01 1.16 2.240130526e+01 9.206616895e-01 2.460683352e+01 2.531521915e+01 -9.386710499e-01 5.693485110e+01 1.18 1.967253762e+01 1.122801048e+00 2.214929872e+01 2.353683447e+01 -1.087290673e+00 5.050670284e+01 1.20 1.719179227e+01 1.292822975e+00 1.993940757e+01 2.189085907e+01 -1.203717988e+00 4.460243868e+01 1.22 1.494252811e+01 1.426151944e+00 1.794943736e+01 2.036592532e+01 -1.292599228e+00 3.921868632e+01 1.24 1.290800105e+01 1.521570680e+00 1.615478168e+01 1.895164386e+01 -1.358153945e+00 3.433946678e+01 1.26 1.107161440e+01 1.580170272e+00 1.453364607e+01 1.763856548e+01 -1.404176042e+00 2.994040276e+01 1.28 9.417195243e+00 1.604552585e+00 1.306676018e+01 1.641812772e+01 -1.434044691e+00 2.599188080e+01 1.30 7.929204265e+00 1.598235746e+00 1.173710974e+01 1.528259287e+01 -1.450742309e+00 2.246139952e+01 1.32 6.592887376e+00 1.565216795e+00 1.052968860e+01 1.422498140e+01 -1.456877611e+00 1.931528857e+01 1.34 5.394377506e+00 1.509656407e+00 9.431272148e+00 1.323900452e+01 -1.454711890e+00 1.651994089e+01 1.36 4.320755133e+00 1.435657341e+00 8.430211752e+00 1.231899820e+01 -1.446187085e+00 1.404267358e+01 1.38 3.360074912e+00 1.347114597e+00 7.516248920e+00 1.145985982e+01 -1.432954708e+00 1.185230548e+01 1.40 2.501365658e+00 1.247619742e+00 6.680348866e+00 1.065698888e+01 -1.416404616e+00 9.919522037e+00 1.42 1.734609741e+00 1.140404641e+00 5.914551887e+00 9.906232158e+00 -1.397693073e+00 8.217081914e+00 1.44 1.050707000e+00 1.028310808e+00 5.211840969e+00 9.203833482e+00 -1.377769675e+00 6.719906842e+00 1.46 4.414279573e-01 9.137902971e-01 4.566021544e+00 8.546388034e+00 -1.357402717e+00 5.405088406e+00 1.48 -1.006402211e-01 7.989196848e-01 3.971618400e+00 7.930801617e+00 -1.337202849e+00 4.251835952e+00 1.50 -5.821519747e-01 6.854210409e-01 3.423789627e+00 7.354254837e+00 -1.317644851e+00 3.241384692e+00 1.52 -1.009063263e+00 5.746890450e-01 2.918247051e+00 6.814171068e+00 -1.299087490e+00 2.356879051e+00 1.54 -1.386691547e+00 4.678216929e-01 2.451186170e+00 6.308188170e+00 -1.281791509e+00 1.583240951e+00 1.56 -1.719774299e+00 3.656524822e-01 2.019225023e+00 5.834133729e+00 -1.265935724e+00 9.070315153e-01 1.58 -2.012525028e+00 2.687826353e-01 1.619350962e+00 5.390003498e+00 -1.251631324e+00 3.163119369e-01 1.60 -2.268686312e+00 1.776124476e-01 1.248874256e+00 4.973942613e+00 -1.238934477e+00 -1.994931640e-01 1.62 -2.491586116e+00 9.237096793e-02 9.053878641e-01 4.584229366e+00 -1.227857345e+00 -6.497264730e-01 1.64 -2.684235134e+00 1.314551209e-02 5.867325466e-01 4.219261192e+00 -1.218377615e+00 -1.042621397e+00 1.66 -2.849396928e+00 -6.008779955e-02 2.909665832e-01 3.877542563e+00 -1.210446697e+00 -1.385417333e+00 1.68 -2.989610170e+00 -1.274486061e-01 1.633961771e-02 3.557674605e+00 -1.203996687e+00 -1.684465835e+00 1.70 -3.107206165e+00 -1.891338778e-01 -2.387300041e-01 3.258346158e+00 -1.198946230e+00 -1.945327976e+00 1.72 -3.204324823e+00 -2.453993303e-01 -4.756748474e-01 2.978326078e+00 -1.195205403e+00 -2.172862963e+00 1.74 -3.282929246e+00 -2.965431204e-01 -6.957953263e-01 2.716456633e+00 -1.192679722e+00 -2.371308166e+00 1.76 -3.344819115e+00 -3.428916752e-01 -9.002743968e-01 2.471647785e+00 -1.191273382e+00 -2.544351324e+00 1.78 -3.391642985e+00 -3.847875424e-01 -1.090190277e+00 2.242872253e+00 -1.190891835e+00 -2.695195276e+00 1.80 -3.424909632e+00 -4.225791055e-01 -1.266527466e+00 2.029161228e+00 -1.191443781e+00 -2.826615835e+00 1.82 -3.445998565e+00 -4.566120088e-01 -1.430186349e+00 1.829600616e+00 -1.192842670e+00 -2.941013364e+00 1.84 -3.456169791e+00 -4.872221490e-01 -1.581991536e+00 1.643327737e+00 -1.195007774e+00 -3.040458520e+00 1.86 -3.456572925e+00 -5.147300807e-01 -1.722699152e+00 1.469528406e+00 -1.197864903e+00 -3.126732922e+00 1.88 -3.448255710e+00 -5.394368620e-01 -1.853003225e+00 1.307434306e+00 -1.201346821e+00 -3.201365227e+00 1.90 -3.432172011e+00 -5.616255060e-01 -1.973541295e+00 1.156320630e+00 -1.205393413e+00 -3.265662976e+00 1.92 -3.409189318e+00 -5.815580806e-01 -2.084899361e+00 1.015503926e+00 -1.209951637e+00 -3.320740758e+00 1.94 -3.380095809e+00 -5.994682287e-01 -2.187616278e+00 8.843401035e-01 -1.214975303e+00 -3.367545087e+00 1.96 -3.345606979e+00 -6.155606982e-01 -2.282187654e+00 7.622226007e-01 -1.220424712e+00 -3.406876320e+00 1.98 -3.306371868e+00 -6.300118584e-01 -2.369069692e+00 6.485806461e-01 -1.226266161e+00 -3.439408023e+00 2.00 -3.262978867e+00 -6.429707218e-01 -2.448687169e+00 5.428776241e-01 -1.232471338e+00 -3.465704055e+00 2.02 -3.215986507e+00 -6.545603692e-01 -2.521441571e+00 4.446095233e-01 -1.239016694e+00 -3.486233635e+00 2.04 -3.166002631e+00 -6.648803042e-01 -2.587709438e+00 3.533039128e-01 -1.245883786e+00 -3.501388153e+00 2.06 -3.113588118e+00 -6.740121939e-01 -2.647817630e+00 2.685218271e-01 -1.253059612e+00 -3.511515029e+00 2.08 -3.059231460e+00 -6.820245590e-01 -2.702066288e+00 1.898535494e-01 -1.260535777e+00 -3.516938222e+00 2.10 -3.003357514e+00 -6.889752681e-01 -2.750746705e+00 1.169150015e-01 -1.268307315e+00 -3.517960964e+00 2.12 -2.946335266e+00 -6.949137513e-01 -2.794141150e+00 4.934630950e-02 -1.276371216e+00 -3.514867478e+00 2.14 -2.888484735e+00 -6.998830095e-01 -2.832522636e+00 -1.319002562e-02 -1.284724714e+00 -3.507924619e+00 2.16 -2.830083093e+00 -7.039213940e-01 -2.866154781e+00 -7.101185140e-02 -1.293363293e+00 -3.497383438e+00 2.18 -2.771370039e+00 -7.070626140e-01 -2.895291720e+00 -1.244218035e-01 -1.302278342e+00 -3.483480657e+00 2.20 -2.712552536e+00 -7.093324765e-01 -2.920178097e+00 -1.737147306e-01 -1.311454432e+00 -3.466440049e+00 2.22 -2.653808945e+00 -7.107559744e-01 -2.941049096e+00 -2.191897577e-01 -1.320866163e+00 -3.446473714e+00 2.24 -2.595292631e+00 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