# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Fe-Co-Al # implementation = 2025--Sharifi-H--Fe-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 Fe Fe Fe Al Al Al Co Co Fe Co Co 0.02 2.028024502e+05 4.000875199e+05 1.028140289e+05 2.104396009e+05 4.151468523e+05 4.307816124e+05 0.04 8.584085000e+04 1.675325584e+05 4.400192354e+04 8.902048284e+04 1.737325163e+05 1.801701080e+05 0.06 4.936318063e+04 9.548852264e+04 2.553665024e+04 5.116734325e+04 9.897336918e+04 1.025931362e+05 0.08 3.232367674e+04 6.204120064e+04 1.685684394e+04 3.349160949e+04 6.427784945e+04 6.660242451e+04 0.10 2.278275139e+04 4.341559740e+04 1.196920789e+04 2.359753611e+04 4.496325285e+04 4.657294020e+04 0.12 1.684306018e+04 3.187892766e+04 8.910587048e+03 1.743972829e+04 3.300329443e+04 3.417377209e+04 0.14 1.287702204e+04 2.421338265e+04 6.858160167e+03 1.332913743e+04 2.505872675e+04 2.593965471e+04 0.16 1.009382831e+04 1.886035540e+04 5.410802380e+03 1.044524509e+04 1.951240785e+04 2.019271284e+04 0.18 8.067057049e+03 1.498155631e+04 4.351605415e+03 8.345679106e+03 1.549468987e+04 1.603076639e+04 0.20 6.548390039e+03 1.208985465e+04 3.553960781e+03 6.772866446e+03 1.250028004e+04 1.292968224e+04 0.22 5.384363528e+03 9.884764039e+03 2.939466088e+03 5.567641693e+03 1.021752284e+04 1.056621973e+04 0.24 4.475557262e+03 8.171982361e+03 2.457234689e+03 4.626901948e+03 8.444916866e+03 8.731410747e+03 0.26 3.755053002e+03 6.820996645e+03 2.072950668e+03 3.881258169e+03 7.047130720e+03 7.284927075e+03 0.28 3.176366243e+03 5.741359459e+03 1.762727048e+03 3.282515708e+03 5.930391613e+03 6.129547928e+03 0.30 2.706350393e+03 4.868749574e+03 1.509490653e+03 2.796313566e+03 5.028024825e+03 5.196158670e+03 0.32 2.320842045e+03 4.156420575e+03 1.300762017e+03 2.397607221e+03 4.291582744e+03 4.434548282e+03 0.34 2.001891765e+03 3.569764456e+03 1.127243071e+03 2.067796156e+03 3.685205369e+03 3.807559190e+03 0.36 1.735949605e+03 3.082750729e+03 9.818915000e+02 1.792841749e+03 3.181926516e+03 3.287255585e+03 0.38 1.512642170e+03 2.675527836e+03 8.592966724e+02 1.561998793e+03 2.761185811e+03 2.852342662e+03 0.40 1.323929610e+03 2.332771206e+03 7.552492328e+02 1.366941123e+03 2.407115282e+03 2.486389463e+03 0.42 1.163512730e+03 2.042522934e+03 6.664381665e+02 1.201146713e+03 2.107335971e+03 2.176580828e+03 0.44 1.026407778e+03 1.795360987e+03 5.902332895e+02 1.059456703e+03 1.852096416e+03 1.912824018e+03 0.46 9.086370674e+02 1.583796014e+03 5.245267649e+02 9.377545931e+02 1.633647230e+03 1.687100247e+03 0.48 8.070005933e+02 1.401827125e+03 4.676158915e+02 8.327294564e+02 1.445780590e+03 1.492987289e+03 0.50 7.189050797e+02 1.244610302e+03 4.181151742e+02 7.416987161e+02 1.283486546e+03 1.325303243e+03 0.52 6.422348238e+02 1.108208636e+03 3.748897255e+02 6.624742788e+02 1.142694190e+03 1.179838313e+03 0.54 5.752529788e+02 9.894020459e+02 3.370042203e+02 5.932602342e+02 1.020074511e+03 1.053150549e+03 0.56 5.165253750e+02 8.855409446e+02 3.036833835e+02 5.325739257e+02 9.128888098e+02 9.424088246e+02 0.58 4.648613427e+02 7.944329653e+02 2.742811966e+02 4.791846504e+02 8.188713902e+02 8.452713503e+02 0.60 4.192672884e+02 7.142544237e+02 2.482566582e+02 4.320655786e+02 7.361378834e+02 7.597907505e+02 0.62 3.789100455e+02 6.434806809e+02 2.251545792e+02 3.903558058e+02 6.631131607e+02 6.843394404e+02 0.64 3.430877814e+02 5.808310654e+02 2.045902836e+02 3.533302350e+02 5.984743298e+02 6.175506291e+02 0.66 3.112067049e+02 5.252249402e+02 1.862373133e+02 3.203754687e+02 5.411052752e+02 5.582712803e+02 0.68 2.827623474e+02 4.757465247e+02 1.698175110e+02 2.909704394e+02 4.900602655e+02 5.055244638e+02 0.70 2.573244374e+02 4.316165687e+02 1.550929773e+02 2.646707612e+02 4.445346547e+02 4.584790508e+02 0.72 2.345245900e+02 3.921693794e+02 1.418595005e+02 2.410959968e+02 4.038411265e+02 4.164251474e+02 0.74 2.140462684e+02 3.568341505e+02 1.299411797e+02 2.199192764e+02 3.673903885e+02 3.787541340e+02 0.76 1.956165468e+02 3.251196896e+02 1.191859969e+02 2.008441297e+02 3.346753852e+02 3.449423452e+02 0.78 1.789993166e+02 2.966018623e+02 1.094621533e+02 1.829989053e+02 3.052583204e+02 3.145376557e+02 0.80 1.639896750e+02 2.709132492e+02 1.006550318e+02 1.661335642e+02 2.787599683e+02 2.871484355e+02 0.82 1.504092581e+02 2.477345700e+02 9.266466413e+01 1.503810892e+02 2.548508125e+02 2.624343921e+02 0.84 1.381023493e+02 2.267875477e+02 8.540361118e+01 1.358030230e+02 2.332436741e+02 2.400989552e+02 0.86 1.269326260e+02 2.078289608e+02 7.879518652e+01 1.224103316e+02 2.136875668e+02 2.198829288e+02 0.88 1.167804234e+02 1.906456484e+02 7.277195764e+01 1.101789404e+02 1.959625387e+02 2.015591625e+02 0.90 1.075404289e+02 1.750503133e+02 6.727448037e+01 9.906131666e+01 1.798753372e+02 1.849280744e+02 0.92 9.911973518e+01 1.608779817e+02 6.225022684e+01 8.899505130e+01 1.652557535e+02 1.698138758e+02 0.94 9.143618427e+01 1.479829998e+02 5.765267227e+01 7.990916123e+01 1.519535204e+02 1.560613679e+02 0.96 8.441696127e+01 1.362364852e+02 5.344048899e+01 7.172865592e+01 1.398356817e+02 1.435332248e+02 0.98 7.799739334e+01 1.255246901e+02 4.956436999e+01 6.437779496e+01 1.287254415e+02 1.321076774e+02 1.00 7.211992011e+01 1.154488517e+02 4.596041709e+01 5.778235623e+01 1.178254325e+02 1.216765299e+02 1.02 6.673321141e+01 1.053619247e+02 4.261633517e+01 5.187116289e+01 1.071619771e+02 1.121434630e+02 1.04 6.185287306e+01 9.551484895e+01 3.952021508e+01 4.657705873e+01 9.695839783e+01 1.034225496e+02 1.06 5.917135765e+01 8.610845183e+01 3.665791631e+01 4.183747478e+01 8.735448841e+01 9.530980908e+01 1.08 5.860707937e+01 7.726883824e+01 3.401414415e+01 3.759469966e+01 7.842845616e+01 8.715041994e+01 1.10 5.925775266e+01 6.906694180e+01 3.157322160e+01 3.379593600e+01 7.021410167e+01 7.907839665e+01 1.12 6.047953731e+01 6.153357747e+01 2.931962957e+01 3.039320772e+01 6.271387203e+01 7.127829029e+01 1.14 6.182689377e+01 5.467097347e+01 2.723837337e+01 2.734316682e+01 5.590871555e+01 6.387210674e+01 1.16 6.300440490e+01 4.846155540e+01 2.531521915e+01 2.460683352e+01 4.976546302e+01 5.693485110e+01 1.18 6.382887090e+01 4.287457436e+01 2.353683447e+01 2.214929872e+01 4.424229031e+01 5.050670284e+01 1.20 6.419961967e+01 3.787106516e+01 2.189085907e+01 1.993940757e+01 3.929271196e+01 4.460243868e+01 1.22 6.407540918e+01 3.340750793e+01 2.036592532e+01 1.794943736e+01 3.486844880e+01 3.921868632e+01 1.24 6.345662269e+01 2.943848831e+01 1.895164386e+01 1.615478168e+01 3.092143962e+01 3.433946678e+01 1.26 6.237165361e+01 2.591859236e+01 1.763856548e+01 1.453364607e+01 2.740520810e+01 2.994040276e+01 1.28 6.086662416e+01 2.280371524e+01 1.641812772e+01 1.306676018e+01 2.427574652e+01 2.599188080e+01 1.30 5.899773249e+01 2.005192865e+01 1.528259287e+01 1.173710974e+01 2.149204410e+01 2.246139952e+01 1.32 5.682565473e+01 1.762401721e+01 1.422498140e+01 1.052968860e+01 1.901635514e+01 1.931528857e+01 1.34 5.441155228e+01 1.548377063e+01 1.323900452e+01 9.431272148e+00 1.681428205e+01 1.651994089e+01 1.36 5.181431401e+01 1.359809925e+01 1.231899820e+01 8.430211752e+00 1.485473008e+01 1.404267358e+01 1.38 4.908874473e+01 1.193702262e+01 1.145985982e+01 7.516248920e+00 1.310977461e+01 1.185230548e+01 1.40 4.628446650e+01 1.047357218e+01 1.065698888e+01 6.680348866e+00 1.155447423e+01 9.919522037e+00 1.42 4.344534969e+01 9.183636983e+00 9.906232158e+00 5.914551887e+00 1.016665237e+01 8.217081914e+00 1.44 4.060933173e+01 8.045772174e+00 9.203833482e+00 5.211840969e+00 8.926663649e+00 6.719906842e+00 1.46 3.780850374e+01 7.040990280e+00 8.546388034e+00 4.566021544e+00 7.817158327e+00 5.405088406e+00 1.48 3.506939028e+01 6.152545446e+00 7.930801617e+00 3.971618400e+00 6.822851889e+00 4.251835952e+00 1.50 3.241335822e+01 5.365719107e+00 7.354254837e+00 3.423789627e+00 5.930305607e+00 3.241384692e+00 1.52 2.985708888e+01 4.667613481e+00 6.814171068e+00 2.918247051e+00 5.127721880e+00 2.356879051e+00 1.54 2.741308459e+01 4.046955723e+00 6.308188170e+00 2.451186170e+00 4.404755380e+00 1.583240951e+00 1.56 2.509018141e+01 3.493915675e+00 5.834133729e+00 2.019225023e+00 3.752341266e+00 9.070315153e-01 1.58 2.289404873e+01 2.999938413e+00 5.390003498e+00 1.619350962e+00 3.162540444e+00 3.163119369e-01 1.60 2.082766397e+01 2.557591451e+00 4.973942613e+00 1.248874256e+00 2.628400845e+00 -1.994931640e-01 1.62 1.889175248e+01 2.160426420e+00 4.584229366e+00 9.053878641e-01 2.143834334e+00 -6.497264730e-01 1.64 1.708518863e+01 1.802855806e+00 4.219261192e+00 5.867325466e-01 1.703507865e+00 -1.042621397e+00 1.66 1.540535596e+01 1.480043775e+00 3.877542563e+00 2.909665832e-01 1.302747571e+00 -1.385417333e+00 1.68 1.384846553e+01 1.187808857e+00 3.557674605e+00 1.633961771e-02 9.374548488e-01 -1.684465835e+00 1.70 1.240983433e+01 9.225379902e-01 3.258346158e+00 -2.387300041e-01 6.040329317e-01 -1.945327976e+00 1.72 1.108412535e+01 6.811110059e-01 2.978326078e+00 -4.756748474e-01 2.993228716e-01 -2.172862963e+00 1.74 9.865552153e+00 4.608346532e-01 2.716456633e+00 -6.957953263e-01 2.054793809e-02 -2.371308166e+00 1.76 8.748050969e+00 2.593849439e-01 2.471647785e+00 -9.002743968e-01 -2.347347751e-01 -2.544351324e+00 1.78 7.725423545e+00 7.475703760e-02 2.242872253e+00 -1.090190277e+00 -4.686763008e-01 -2.695195276e+00 1.80 6.791453859e+00 -9.477821362e-02 2.029161228e+00 -1.266527466e+00 -6.831721352e-01 -2.826615835e+00 1.82 5.940001899e+00 -2.507119663e-01 1.829600616e+00 -1.430186349e+00 -8.798938199e-01 -2.941013364e+00 1.84 5.165077415e+00 -3.943299262e-01 1.643327737e+00 -1.581991536e+00 -1.060316291e+00 -3.040458520e+00 1.86 4.460896470e+00 -5.267400961e-01 1.469528406e+00 -1.722699152e+00 -1.225741630e+00 -3.126732922e+00 1.88 3.821923236e+00 -6.488966099e-01 1.307434306e+00 -1.853003225e+00 -1.377319733e+00 -3.201365227e+00 1.90 3.242899437e+00 -7.616215339e-01 1.156320630e+00 -1.973541295e+00 -1.516066280e+00 -3.265662976e+00 1.92 2.718863438e+00 -8.656229785e-01 1.015503926e+00 -2.084899361e+00 -1.642878430e+00 -3.320740758e+00 1.94 2.245160769e+00 -9.615105543e-01 8.843401035e-01 -2.187616278e+00 -1.758548564e+00 -3.367545087e+00 1.96 1.817447814e+00 -1.049808673e+00 7.622226007e-01 -2.282187654e+00 -1.863776630e+00 -3.406876320e+00 1.98 1.431689889e+00 -1.130969246e+00 6.485806461e-01 -2.369069692e+00 -1.959191919e+00 -3.439408023e+00 2.00 1.084155006e+00 -1.205397424e+00 5.428776241e-01 -2.448687169e+00 -2.045384358e+00 -3.465704055e+00 2.02 7.714043692e-01 -1.273475346e+00 4.446095233e-01 -2.521441571e+00 -2.122912689e+00 -3.486233635e+00 2.04 4.902870776e-01 -1.335565656e+00 3.533039128e-01 -2.587709438e+00 -2.192306111e+00 -3.501388153e+00 2.06 2.379738629e-01 -1.392012550e+00 2.685218271e-01 -2.647817630e+00 -2.254065812e+00 -3.511515029e+00 2.08 1.190210698e-02 -1.443142753e+00 1.898535494e-01 -2.702066288e+00 -2.308666410e+00 -3.516938222e+00 2.10 -1.902724326e-01 -1.489266455e+00 1.169150015e-01 -2.750746705e+00 -2.356557337e+00 -3.517960964e+00 2.12 -3.706968478e-01 -1.530678171e+00 4.934630950e-02 -2.794141150e+00 -2.398164134e+00 -3.514867478e+00 2.14 -5.313389736e-01 -1.567657728e+00 -1.319002562e-02 -2.832522636e+00 -2.433889683e+00 -3.507924619e+00 2.16 -6.740017373e-01 -1.600471608e+00 -7.101185140e-02 -2.866154781e+00 -2.464115380e+00 -3.497383438e+00 2.18 -8.003362949e-01 -1.629372933e+00 -1.244218035e-01 -2.895291720e+00 -2.489202230e+00 -3.483480657e+00 2.20 -9.118541757e-01 -1.654601883e+00 -1.737147306e-01 -2.920178097e+00 -2.509491893e+00 -3.466440049e+00 2.22 -1.009938466e+00 -1.676386345e+00 -2.191897577e-01 -2.941049096e+00 -2.525307665e+00 -3.446473714e+00 2.24 -1.095854104e+00 -1.694942531e+00 -2.611688387e-01 -2.958130525e+00 -2.536955408e+00 -3.423783248e+00 2.26 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