# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Co-Al # implementation = 2025--Sharifi-H--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 Co Al Co Al Al 0.02 4.307816124e+05 2.104396009e+05 1.028140289e+05 0.04 1.801701080e+05 8.902048284e+04 4.400192354e+04 0.06 1.025931362e+05 5.116734325e+04 2.553665024e+04 0.08 6.660242451e+04 3.349160949e+04 1.685684394e+04 0.10 4.657294020e+04 2.359753611e+04 1.196920789e+04 0.12 3.417377209e+04 1.743972829e+04 8.910587048e+03 0.14 2.593965471e+04 1.332913743e+04 6.858160167e+03 0.16 2.019271284e+04 1.044524509e+04 5.410802380e+03 0.18 1.603076639e+04 8.345679106e+03 4.351605415e+03 0.20 1.292968224e+04 6.772866446e+03 3.553960781e+03 0.22 1.056621973e+04 5.567641693e+03 2.939466088e+03 0.24 8.731410747e+03 4.626901948e+03 2.457234689e+03 0.26 7.284927075e+03 3.881258169e+03 2.072950668e+03 0.28 6.129547928e+03 3.282515708e+03 1.762727048e+03 0.30 5.196158670e+03 2.796313566e+03 1.509490653e+03 0.32 4.434548282e+03 2.397607221e+03 1.300762017e+03 0.34 3.807559190e+03 2.067796156e+03 1.127243071e+03 0.36 3.287255585e+03 1.792841749e+03 9.818915000e+02 0.38 2.852342662e+03 1.561998793e+03 8.592966724e+02 0.40 2.486389463e+03 1.366941123e+03 7.552492328e+02 0.42 2.176580828e+03 1.201146713e+03 6.664381665e+02 0.44 1.912824018e+03 1.059456703e+03 5.902332895e+02 0.46 1.687100247e+03 9.377545931e+02 5.245267649e+02 0.48 1.492987289e+03 8.327294564e+02 4.676158915e+02 0.50 1.325303243e+03 7.416987161e+02 4.181151742e+02 0.52 1.179838313e+03 6.624742788e+02 3.748897255e+02 0.54 1.053150549e+03 5.932602342e+02 3.370042203e+02 0.56 9.424088246e+02 5.325739257e+02 3.036833835e+02 0.58 8.452713503e+02 4.791846504e+02 2.742811966e+02 0.60 7.597907505e+02 4.320655786e+02 2.482566582e+02 0.62 6.843394404e+02 3.903558058e+02 2.251545792e+02 0.64 6.175506291e+02 3.533302350e+02 2.045902836e+02 0.66 5.582712803e+02 3.203754687e+02 1.862373133e+02 0.68 5.055244638e+02 2.909704394e+02 1.698175110e+02 0.70 4.584790508e+02 2.646707612e+02 1.550929773e+02 0.72 4.164251474e+02 2.410959968e+02 1.418595005e+02 0.74 3.787541340e+02 2.199192764e+02 1.299411797e+02 0.76 3.449423452e+02 2.008441297e+02 1.191859969e+02 0.78 3.145376557e+02 1.829989053e+02 1.094621533e+02 0.80 2.871484355e+02 1.661335642e+02 1.006550318e+02 0.82 2.624343921e+02 1.503810892e+02 9.266466413e+01 0.84 2.400989552e+02 1.358030230e+02 8.540361118e+01 0.86 2.198829288e+02 1.224103316e+02 7.879518652e+01 0.88 2.015591625e+02 1.101789404e+02 7.277195764e+01 0.90 1.849280744e+02 9.906131666e+01 6.727448037e+01 0.92 1.698138758e+02 8.899505130e+01 6.225022684e+01 0.94 1.560613679e+02 7.990916123e+01 5.765267227e+01 0.96 1.435332248e+02 7.172865592e+01 5.344048899e+01 0.98 1.321076774e+02 6.437779496e+01 4.956436999e+01 1.00 1.216765299e+02 5.778235623e+01 4.596041709e+01 1.02 1.121434630e+02 5.187116289e+01 4.261633517e+01 1.04 1.034225496e+02 4.657705873e+01 3.952021508e+01 1.06 9.530980908e+01 4.183747478e+01 3.665791631e+01 1.08 8.715041994e+01 3.759469966e+01 3.401414415e+01 1.10 7.907839665e+01 3.379593600e+01 3.157322160e+01 1.12 7.127829029e+01 3.039320772e+01 2.931962957e+01 1.14 6.387210674e+01 2.734316682e+01 2.723837337e+01 1.16 5.693485110e+01 2.460683352e+01 2.531521915e+01 1.18 5.050670284e+01 2.214929872e+01 2.353683447e+01 1.20 4.460243868e+01 1.993940757e+01 2.189085907e+01 1.22 3.921868632e+01 1.794943736e+01 2.036592532e+01 1.24 3.433946678e+01 1.615478168e+01 1.895164386e+01 1.26 2.994040276e+01 1.453364607e+01 1.763856548e+01 1.28 2.599188080e+01 1.306676018e+01 1.641812772e+01 1.30 2.246139952e+01 1.173710974e+01 1.528259287e+01 1.32 1.931528857e+01 1.052968860e+01 1.422498140e+01 1.34 1.651994089e+01 9.431272148e+00 1.323900452e+01 1.36 1.404267358e+01 8.430211752e+00 1.231899820e+01 1.38 1.185230548e+01 7.516248920e+00 1.145985982e+01 1.40 9.919522037e+00 6.680348866e+00 1.065698888e+01 1.42 8.217081914e+00 5.914551887e+00 9.906232158e+00 1.44 6.719906842e+00 5.211840969e+00 9.203833482e+00 1.46 5.405088406e+00 4.566021544e+00 8.546388034e+00 1.48 4.251835952e+00 3.971618400e+00 7.930801617e+00 1.50 3.241384692e+00 3.423789627e+00 7.354254837e+00 1.52 2.356879051e+00 2.918247051e+00 6.814171068e+00 1.54 1.583240951e+00 2.451186170e+00 6.308188170e+00 1.56 9.070315153e-01 2.019225023e+00 5.834133729e+00 1.58 3.163119369e-01 1.619350962e+00 5.390003498e+00 1.60 -1.994931640e-01 1.248874256e+00 4.973942613e+00 1.62 -6.497264730e-01 9.053878641e-01 4.584229366e+00 1.64 -1.042621397e+00 5.867325466e-01 4.219261192e+00 1.66 -1.385417333e+00 2.909665832e-01 3.877542563e+00 1.68 -1.684465835e+00 1.633961771e-02 3.557674605e+00 1.70 -1.945327976e+00 -2.387300041e-01 3.258346158e+00 1.72 -2.172862963e+00 -4.756748474e-01 2.978326078e+00 1.74 -2.371308166e+00 -6.957953263e-01 2.716456633e+00 1.76 -2.544351324e+00 -9.002743968e-01 2.471647785e+00 1.78 -2.695195276e+00 -1.090190277e+00 2.242872253e+00 1.80 -2.826615835e+00 -1.266527466e+00 2.029161228e+00 1.82 -2.941013364e+00 -1.430186349e+00 1.829600616e+00 1.84 -3.040458520e+00 -1.581991536e+00 1.643327737e+00 1.86 -3.126732922e+00 -1.722699152e+00 1.469528406e+00 1.88 -3.201365227e+00 -1.853003225e+00 1.307434306e+00 1.90 -3.265662976e+00 -1.973541295e+00 1.156320630e+00 1.92 -3.320740758e+00 -2.084899361e+00 1.015503926e+00 1.94 -3.367545087e+00 -2.187616278e+00 8.843401035e-01 1.96 -3.406876320e+00 -2.282187654e+00 7.622226007e-01 1.98 -3.439408023e+00 -2.369069692e+00 6.485806461e-01 2.00 -3.465704055e+00 -2.448687169e+00 5.428776241e-01 2.02 -3.486233635e+00 -2.521441571e+00 4.446095233e-01 2.04 -3.501388153e+00 -2.587709438e+00 3.533039128e-01 2.06 -3.511515029e+00 -2.647817630e+00 2.685218271e-01 2.08 -3.516938222e+00 -2.702066288e+00 1.898535494e-01 2.10 -3.517960964e+00 -2.750746705e+00 1.169150015e-01 2.12 -3.514867478e+00 -2.794141150e+00 4.934630950e-02 2.14 -3.507924619e+00 -2.832522636e+00 -1.319002562e-02 2.16 -3.497383438e+00 -2.866154781e+00 -7.101185140e-02 2.18 -3.483480657e+00 -2.895291720e+00 -1.244218035e-01 2.20 -3.466440049e+00 -2.920178097e+00 -1.737147306e-01 2.22 -3.446473714e+00 -2.941049096e+00 -2.191897577e-01 2.24 -3.423783248e+00 -2.958130525e+00 -2.611688387e-01 2.26 -3.398560795e+00 -2.971638937e+00 -3.000240883e-01 2.28 -3.370989970e+00 -2.981781781e+00 -3.362155781e-01 2.30 -3.341246660e+00 -2.988757578e+00 -3.703348244e-01 2.32 -3.309499698e+00 -2.992756134e+00 -4.031510392e-01 2.34 -3.275911408e+00 -2.993958751e+00 -4.356546636e-01 2.36 -3.240638025e+00 -2.992538466e+00 -4.690888690e-01 2.38 -3.203830010e+00 -2.988660301e+00 -5.049574059e-01 2.40 -3.165632244e+00 -2.982481515e+00 -5.449960100e-01 2.42 -3.126184148e+00 -2.974151866e+00 -5.910951556e-01 2.44 -3.085619711e+00 -2.963813877e+00 -6.451651469e-01 2.46 -3.044067470e+00 -2.951603100e+00 -7.089415580e-01 2.48 -3.001650435e+00 -2.937648377e+00 -7.837410685e-01 2.50 -2.958485995e+00 -2.922072102e+00 -8.701949729e-01 2.52 -2.914685615e+00 -2.904990464e+00 -9.680076265e-01 2.54 -2.870354222e+00 -2.886513674e+00 -1.075802970e+00 2.56 -2.825590835e+00 -2.866746172e+00 -1.191123260e+00 2.58 -2.780488716e+00 -2.845788160e+00 -1.310619978e+00 2.60 -2.735135327e+00 -2.823744893e+00 -1.430426631e+00 2.62 -2.689612355e+00 -2.800719322e+00 -1.546642136e+00 2.64 -2.643995766e+00 -2.776806545e+00 -1.655810356e+00 2.66 -2.598355920e+00 -2.752094035e+00 -1.755281107e+00 2.68 -2.552757730e+00 -2.726661888e+00 -1.843382926e+00 2.70 -2.507260861e+00 -2.700583083e+00 -1.919404313e+00 2.72 -2.461919961e+00 -2.673923785e+00 -1.983434617e+00 2.74 -2.416784927e+00 -2.646743742e+00 -2.036138115e+00 2.76 -2.371901178e+00 -2.619096800e+00 -2.078526167e+00 2.78 -2.327309949e+00 -2.591031545e+00 -2.111767710e+00 2.80 -2.283048583e+00 -2.562592074e+00 -2.137053077e+00 2.82 -2.239150822e+00 -2.533818850e+00 -2.155508765e+00 2.84 -2.195647085e+00 -2.504749618e+00 -2.168152433e+00 2.86 -2.152564730e+00 -2.475420299e+00 -2.175875743e+00 2.88 -2.109928310e+00 -2.445865815e+00 -2.179447740e+00 2.90 -2.067759796e+00 -2.416120784e+00 -2.179543453e+00 2.92 -2.026078791e+00 -2.386220034e+00 -2.176740408e+00 2.94 -1.984902713e+00 -2.356198906e+00 -2.171522390e+00 2.96 -1.944246978e+00 -2.326093341e+00 -2.164293733e+00 2.98 -1.904125141e+00 -2.295939757e+00 -2.155392202e+00 3.00 -1.864549048e+00 -2.265774741e+00 -2.145100131e+00 3.02 -1.825528954e+00 -2.235634596e+00 -2.133653856e+00 3.04 -1.787073640e+00 -2.205554784e+00 -2.121251587e+00 3.06 -1.749190518e+00 -2.175569320e+00 -2.108059915e+00 3.08 -1.711885726e+00 -2.145710144e+00 -2.094219172e+00 3.10 -1.675164219e+00 -2.116006527e+00 -2.079847840e+00 3.12 -1.639029848e+00 -2.086484520e+00 -2.065046162e+00 3.14 -1.603485442e+00 -2.057166471e+00 -2.049899111e+00 3.16 -1.568532873e+00 -2.028070607e+00 -2.034478842e+00 3.18 -1.534173132e+00 -1.999210689e+00 -2.018846701e+00 3.20 -1.500406384e+00 -1.970595705e+00 -2.003054900e+00 3.22 -1.467232035e+00 -1.942229609e+00 -1.987147899e+00 3.24 -1.434648781e+00 -1.914111038e+00 -1.971163563e+00 3.26 -1.402654669e+00 -1.886233012e+00 -1.955134121e+00 3.28 -1.371247138e+00 -1.858582547e+00 -1.939086977e+00 3.30 -1.340423075e+00 -1.831140147e+00 -1.923045393e+00 3.32 -1.310178851e+00 -1.803879121e+00 -1.907029056e+00 3.34 -1.280510368e+00 -1.776764659e+00 -1.891054576e+00 3.36 -1.251413098e+00 -1.749752595e+00 -1.875135889e+00 3.38 -1.222882117e+00 -1.722787789e+00 -1.859284621e+00 3.40 -1.194912145e+00 -1.695802041e+00 -1.843510387e+00 3.42 -1.167497573e+00 -1.668711478e+00 -1.827821056e+00 3.44 -1.140632500e+00 -1.641413388e+00 -1.812222976e+00 3.46 -1.114310759e+00 -1.613782569e+00 -1.796721169e+00 3.48 -1.088525943e+00 -1.585667465e+00 -1.781319509e+00 3.50 -1.063271436e+00 -1.556886748e+00 -1.766020865e+00 3.52 -1.038540433e+00 -1.527227616e+00 -1.750827241e+00 3.54 -1.014325962e+00 -1.496448163e+00 -1.735739887e+00 3.56 -9.906209099e-01 -1.464287632e+00 -1.720759406e+00 3.58 -9.674180378e-01 -1.430490034e+00 -1.705885848e+00 3.60 -9.447100017e-01 -1.394847675e+00 -1.691118786e+00 3.62 -9.224893696e-01 -1.357269354e+00 -1.676457397e+00 3.64 -9.007486372e-01 -1.317870356e+00 -1.661900524e+00 3.66 -8.794802436e-01 -1.277065126e+00 -1.647446737e+00 3.68 -8.586765849e-01 -1.235622160e+00 -1.633094382e+00 3.70 -8.383300276e-01 -1.194629193e+00 -1.618841634e+00 3.72 -8.184329207e-01 -1.155337661e+00 -1.604686536e+00 3.74 -7.989776070e-01 -1.118914720e+00 -1.590627036e+00 3.76 -7.799564337e-01 -1.086194553e+00 -1.576661023e+00 3.78 -7.613617621e-01 -1.057532739e+00 -1.562786356e+00 3.80 -7.431859766e-01 -1.032811269e+00 -1.549000886e+00 3.82 -7.254214934e-01 -1.011563259e+00 -1.535302485e+00 3.84 -7.080607677e-01 -9.931437527e-01 -1.521689059e+00 3.86 -6.910963011e-01 -9.768810176e-01 -1.508158570e+00 3.88 -6.745206481e-01 -9.621763153e-01 -1.494709044e+00 3.90 -6.583264223e-01 -9.485504304e-01 -1.481338589e+00 3.92 -6.425063011e-01 -9.356507851e-01 -1.468045399e+00 3.94 -6.270530314e-01 -9.232359478e-01 -1.454827763e+00 3.96 -6.119594338e-01 -9.111510523e-01 -1.441684071e+00 3.98 -5.972184064e-01 -8.993027569e-01 -1.428612817e+00 4.00 -5.828229287e-01 -8.876381335e-01 -1.415612602e+00 4.02 -5.687660642e-01 -8.761289250e-01 -1.402682136e+00 4.04 -5.550409636e-01 -8.647608974e-01 -1.389820234e+00 4.06 -5.416408669e-01 -8.535272331e-01 -1.377025822e+00 4.08 -5.285591053e-01 -8.424247546e-01 -1.364297928e+00 4.10 -5.157891024e-01 -8.314519324e-01 -1.351635686e+00 4.12 -5.033243762e-01 -8.206079134e-01 -1.339038329e+00 4.14 -4.911585389e-01 -8.098920840e-01 -1.326505190e+00 4.16 -4.792852982e-01 -7.993038875e-01 -1.314035691e+00 4.18 -4.676984571e-01 -7.888427534e-01 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