# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cu-Cr-Co # implementation = 2025--Sharifi-H--Cu-Cr-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 Cu Co Co Cu Cu Cr Cr Co Cr Cr Cu 0.02 4.620154743e+05 4.307816124e+05 4.954943043e+05 6.540873203e+02 1.801675345e+04 1.904572156e+04 0.04 1.930217932e+05 1.801701080e+05 2.067715918e+05 2.974270961e+02 8.470930373e+03 8.815069544e+03 0.06 1.098168620e+05 1.025931362e+05 1.175313404e+05 1.817366538e+02 5.397659787e+03 5.533832323e+03 0.08 7.124088097e+04 6.660242451e+04 7.618510859e+04 1.255085055e+02 3.906526253e+03 3.949926366e+03 0.10 4.978520131e+04 4.657294020e+04 5.320232879e+04 9.282445045e+01 3.034928304e+03 3.029847247e+03 0.12 3.651023909e+04 3.417377209e+04 3.899033190e+04 7.175739755e+01 2.465872126e+03 2.433399875e+03 0.14 2.769902295e+04 2.593965471e+04 2.956217573e+04 5.722441042e+01 2.065656186e+03 2.017178547e+03 0.16 2.155240500e+04 2.019271284e+04 2.298867779e+04 4.670291143e+01 1.768660962e+03 1.710849383e+03 0.18 1.710325916e+04 1.603076639e+04 1.823308975e+04 3.880451606e+01 1.539156312e+03 1.476146115e+03 0.20 1.378984766e+04 1.292968224e+04 1.469336997e+04 3.270530857e+01 1.356137149e+03 1.290593962e+03 0.22 1.126581090e+04 1.056621973e+04 1.199838587e+04 2.788735627e+01 1.206496641e+03 1.140184671e+03 0.24 9.307283914e+03 8.731410747e+03 9.908314076e+03 2.400993348e+01 1.081655663e+03 1.015761285e+03 0.26 7.763972083e+03 7.284927075e+03 8.262186709e+03 2.084044988e+01 9.757724530e+02 9.110984822e+02 0.28 6.531779645e+03 6.129547928e+03 6.948548224e+03 1.821516468e+01 8.847343690e+02 8.218218523e+02 0.30 5.536728806e+03 5.196158670e+03 5.888216958e+03 1.601577310e+01 8.055626951e+02 7.447701107e+02 0.32 4.725095227e+03 4.434548282e+03 5.023710898e+03 1.415486872e+01 7.360462963e+02 6.776026364e+02 0.34 4.057137252e+03 3.807559190e+03 4.312525978e+03 1.256660780e+01 6.745081504e+02 6.185494208e+02 0.36 3.502988972e+03 3.287255585e+03 3.722734097e+03 1.120054293e+01 6.196521016e+02 5.662469754e+02 0.38 3.039894338e+03 2.852342662e+03 3.230018814e+03 1.001743918e+01 5.704593938e+02 5.196275693e+02 0.40 2.650302784e+03 2.486389463e+03 2.815634660e+03 8.986373767e+00 5.261171945e+02 4.778427333e+02 0.42 2.320532092e+03 2.176580828e+03 2.464974559e+03 8.082685975e+00 4.859681828e+02 4.402093278e+02 0.44 2.039811451e+03 1.912824018e+03 2.166544845e+03 7.286499636e+00 4.494742569e+02 4.061707304e+02 0.46 1.799587068e+03 1.687100247e+03 1.911221691e+03 6.581642675e+00 4.161899967e+02 3.752684713e+02 0.48 1.593011101e+03 1.492987289e+03 1.691704041e+03 5.954845050e+00 3.857429507e+02 3.471211767e+02 0.50 1.414560454e+03 1.325303243e+03 1.502105674e+03 5.395134479e+00 3.578187666e+02 3.214086981e+02 0.52 1.259749846e+03 1.179838313e+03 1.337648283e+03 4.893376521e+00 3.321498548e+02 2.978600233e+02 0.54 1.124913396e+03 1.053150549e+03 1.194427931e+03 4.441920000e+00 3.085066324e+02 2.762439498e+02 0.56 1.007036785e+03 9.424088246e+02 1.069235663e+03 4.034320609e+00 2.866906836e+02 2.563618090e+02 0.58 9.036274549e+02 8.452713503e+02 9.594188230e+02 3.665123775e+00 2.665293763e+02 2.380417471e+02 0.60 8.126132326e+02 7.597907505e+02 8.627727970e+02 3.329692099e+00 2.478715748e+02 2.211341783e+02 0.62 7.322626647e+02 6.843394404e+02 7.774559690e+02 3.024067164e+00 2.305841998e+02 2.055081438e+02 0.64 6.611220636e+02 6.175506291e+02 7.019225457e+02 2.744858108e+00 2.145494498e+02 1.910483761e+02 0.66 5.979653309e+02 5.582712803e+02 6.348690383e+02 2.489150853e+00 1.996625331e+02 1.776529087e+02 0.68 5.417538149e+02 5.055244638e+02 5.751914621e+02 2.254433789e+00 1.858298086e+02 1.652311213e+02 0.70 4.916040107e+02 4.584790508e+02 5.219509113e+02 2.038536539e+00 1.729672495e+02 1.537021292e+02 0.72 4.467613853e+02 4.164251474e+02 4.743456724e+02 1.839579037e+00 1.609991654e+02 1.429934468e+02 0.74 4.065791180e+02 3.787541340e+02 4.316885815e+02 1.655929091e+00 1.498571332e+02 1.330398736e+02 0.76 3.705007235e+02 3.449423452e+02 3.933885230e+02 1.486166743e+00 1.394790982e+02 1.237825603e+02 0.78 3.380457740e+02 3.145376557e+02 3.589352330e+02 1.329054155e+00 1.298086120e+02 1.151682203e+02 0.80 3.087981457e+02 2.871484355e+02 3.278867924e+02 1.183510127e+00 1.208265599e+02 1.071484616e+02 0.82 2.823962770e+02 2.624343921e+02 2.998592632e+02 1.048588357e+00 1.126616799e+02 9.967921811e+01 0.84 2.585250690e+02 2.400989552e+02 2.745180749e+02 9.234588482e-01 1.050851859e+02 9.272026198e+01 0.86 2.369091347e+02 2.198829288e+02 2.515708458e+02 8.073919681e-01 9.790368441e+01 8.623478460e+01 0.88 2.173071348e+02 2.015591625e+02 2.307613616e+02 6.997446877e-01 9.101063675e+01 8.018903436e+01 0.90 1.995070181e+02 1.849280744e+02 2.118645162e+02 5.999487002e-01 8.435624082e+01 7.455200217e+01 0.92 1.833221193e+02 1.698138758e+02 1.946820473e+02 5.075001336e-01 7.792592334e+01 6.929514775e+01 0.94 1.685237620e+02 1.560613679e+02 1.790389199e+02 4.219505962e-01 7.172534972e+01 6.439215951e+01 0.96 1.547991251e+02 1.435332248e+02 1.647802584e+02 3.428993955e-01 6.577023353e+01 5.981874406e+01 0.98 1.420238860e+02 1.321076774e+02 1.517687326e+02 2.699867544e-01 6.007962493e+01 5.555244030e+01 1.00 1.301114864e+02 1.216765299e+02 1.398823195e+02 2.028878801e-01 5.467170122e+01 5.157245489e+01 1.02 1.189960194e+02 1.121434630e+02 1.290123884e+02 1.413077949e-01 4.956132243e+01 4.785951611e+01 1.04 1.086260252e+02 1.034225496e+02 1.190620447e+02 8.497681174e-02 4.475880730e+01 4.439574358e+01 1.06 9.895983151e+01 9.530980908e+01 1.098778159e+02 3.603504935e-02 4.026953014e+01 4.116453172e+01 1.08 8.996212925e+01 8.715041994e+01 1.006654129e+02 8.954065071e-02 3.609404461e+01 3.815042961e+01 1.10 8.160151819e+01 7.907839665e+01 9.146379971e+01 2.495766069e-01 3.222852843e+01 3.533081639e+01 1.12 7.384880881e+01 7.127829029e+01 8.251005063e+01 4.637947808e-01 2.866539974e+01 3.266475728e+01 1.14 6.667589963e+01 6.387210674e+01 7.396440465e+01 6.957144645e-01 2.539400398e+01 3.015889688e+01 1.16 6.005508564e+01 5.693485110e+01 6.592898332e+01 9.206616895e-01 2.240130526e+01 2.781766024e+01 1.18 5.395868241e+01 5.050670284e+01 5.846237608e+01 1.122801048e+00 1.967253762e+01 2.563938362e+01 1.20 4.835887429e+01 4.460243868e+01 5.159102094e+01 1.292822975e+00 1.719179227e+01 2.361838788e+01 1.22 4.322771583e+01 3.921868632e+01 4.531804184e+01 1.426151944e+00 1.494252811e+01 2.174651096e+01 1.24 3.853723198e+01 3.433946678e+01 3.963006341e+01 1.521570680e+00 1.290800105e+01 2.001422036e+01 1.26 3.425957630e+01 2.994040276e+01 3.450243739e+01 1.580170272e+00 1.107161440e+01 1.841140510e+01 1.28 3.036721692e+01 2.599188080e+01 2.990321313e+01 1.604552585e+00 9.417195243e+00 1.692792321e+01 1.30 2.683312807e+01 2.246139952e+01 2.579612199e+01 1.598235746e+00 7.929204265e+00 1.555396557e+01 1.32 2.363097180e+01 1.931528857e+01 2.214279285e+01 1.565216795e+00 6.592887376e+00 1.428028329e+01 1.34 2.073526720e+01 1.651994089e+01 1.890436756e+01 1.509656407e+00 5.394377506e+00 1.309831757e+01 1.36 1.812153375e+01 1.404267358e+01 1.604265299e+01 1.435657341e+00 4.320755133e+00 1.200026433e+01 1.38 1.576640672e+01 1.185230548e+01 1.352091593e+01 1.347114597e+00 3.360074912e+00 1.097907547e+01 1.40 1.364772540e+01 9.919522037e+00 1.130440623e+01 1.247619742e+00 2.501365658e+00 1.002842849e+01 1.42 1.174459502e+01 8.217081914e+00 9.360675047e+00 1.140404641e+00 1.734609741e+00 9.142679011e+00 1.44 1.003742372e+01 6.719906842e+00 7.659739491e+00 1.028310808e+00 1.050707000e+00 8.316801714e+00 1.46 8.507937641e+00 5.405088406e+00 6.174135775e+00 9.137902971e-01 4.414279573e-01 7.546326275e+00 1.48 7.139176388e+00 4.251835952e+00 4.878891588e+00 7.989196848e-01 -1.006402211e-01 6.827272569e+00 1.50 5.915471876e+00 3.241384692e+00 3.751442094e+00 6.854210409e-01 -5.821519747e-01 6.156088239e+00 1.52 4.822413735e+00 2.356879051e+00 2.771509060e+00 5.746890450e-01 -1.009063263e+00 5.529590607e+00 1.54 3.846803451e+00 1.583240951e+00 1.920956091e+00 4.678216929e-01 -1.386691547e+00 4.944913117e+00 1.56 2.976600104e+00 9.070315153e-01 1.183631264e+00 3.656524822e-01 -1.719774299e+00 4.399448507e+00 1.58 2.200860085e+00 3.163119369e-01 5.452050601e-01 2.687826353e-01 -2.012525028e+00 3.890813690e+00 1.60 1.509672323e+00 -1.994931640e-01 -6.991532406e-03 1.776124476e-01 -2.268686312e+00 3.416824113e+00 1.62 8.940912585e-01 -6.497264730e-01 -4.841239578e-01 9.237096793e-02 -2.491586116e+00 2.975464018e+00 1.64 3.460688472e-01 -1.042621397e+00 -8.960037601e-01 1.314551209e-02 -2.684235134e+00 2.564861300e+00 1.66 -1.416133666e-01 -1.385417333e+00 -1.251229513e+00 -6.008779955e-02 -2.849396928e+00 2.183266711e+00 1.68 -5.754107148e-01 -1.684465835e+00 -1.557317467e+00 -1.274486061e-01 -2.989610170e+00 1.829036892e+00 1.70 -9.610799445e-01 -1.945327976e+00 -1.820821962e+00 -1.891338778e-01 -3.107206165e+00 1.500620734e+00 1.72 -1.303741157e+00 -2.172862963e+00 -2.047445458e+00 -2.453993303e-01 -3.204324823e+00 1.196548564e+00 1.74 -1.607936520e+00 -2.371308166e+00 -2.242138160e+00 -2.965431204e-01 -3.282929246e+00 9.154236990e-01 1.76 -1.877685740e+00 -2.544351324e+00 -2.409188076e+00 -3.428916752e-01 -3.344819115e+00 6.559159470e-01 1.78 -2.116537921e+00 -2.695195276e+00 -2.552301787e+00 -3.847875424e-01 -3.391642985e+00 4.167584534e-01 1.80 -2.327619722e+00 -2.826615835e+00 -2.674676553e+00 -4.225791055e-01 -3.424909632e+00 1.967544943e-01 1.82 -2.513679612e+00 -2.941013364e+00 -2.779064578e+00 -4.566120088e-01 -3.445998565e+00 -5.235652063e-03 1.84 -2.677121382e+00 -3.040458520e+00 -2.867828641e+00 -4.872221490e-01 -3.456169791e+00 -1.903013054e-01 1.86 -2.820044338e+00 -3.126732922e+00 -2.942992938e+00 -5.147300807e-01 -3.456572925e+00 -3.594827412e-01 1.88 -2.944299451e+00 -3.201365227e+00 -3.006289148e+00 -5.394368620e-01 -3.448255710e+00 -5.137736757e-01 1.90 -3.051560829e+00 -3.265662976e+00 -3.059195460e+00 -5.616255060e-01 -3.432172011e+00 -6.541214983e-01 1.92 -3.143358148e+00 -3.320740758e+00 -3.102970808e+00 -5.815580806e-01 -3.409189318e+00 -7.814273727e-01 1.94 -3.221089533e+00 -3.367545087e+00 -3.138684849e+00 -5.994682287e-01 -3.380095809e+00 -8.965463828e-01 1.96 -3.286032981e+00 -3.406876320e+00 -3.167244128e+00 -6.155606982e-01 -3.345606979e+00 -1.000287777e+00 1.98 -3.339356821e+00 -3.439408023e+00 -3.189414935e+00 -6.300118584e-01 -3.306371868e+00 -1.093415342e+00 2.00 -3.382129224e+00 -3.465704055e+00 -3.205843216e+00 -6.429707218e-01 -3.262978867e+00 -1.176647937e+00 2.02 -3.415326875e+00 -3.486233635e+00 -3.217071860e+00 -6.545603692e-01 -3.215986507e+00 -1.250660187e+00 2.04 -3.439842889e+00 -3.501388153e+00 -3.223555765e+00 -6.648803042e-01 -3.166002631e+00 -1.316083501e+00 2.06 -3.456494023e+00 -3.511515029e+00 -3.225674884e+00 -6.740121939e-01 -3.113588118e+00 -1.373510011e+00 2.08 -3.466027236e+00 -3.516938222e+00 -3.223747986e+00 -6.820245590e-01 -3.059231460e+00 -1.423497961e+00 2.10 -3.469125693e+00 -3.517960964e+00 -3.218060140e+00 -6.889752681e-01 -3.003357514e+00 -1.466573826e+00 2.12 -3.466414216e+00 -3.514867478e+00 -3.208880312e+00 -6.949137513e-01 -2.946335266e+00 -1.503233829e+00 2.14 -3.458464255e+00 -3.507924619e+00 -3.196463067e+00 -6.998830095e-01 -2.888484735e+00 -1.533945414e+00 2.16 -3.445798434e+00 -3.497383438e+00 -3.181049242e+00 -7.039213940e-01 -2.830083093e+00 -1.559148662e+00 2.18 -3.428894665e+00 -3.483480657e+00 -3.162866597e+00 -7.070626140e-01 -2.771370039e+00 -1.579257655e+00 2.20 -3.408189921e+00 -3.466440049e+00 -3.142130428e+00 -7.093324765e-01 -2.712552536e+00 -1.594661793e+00 2.22 -3.384083661e+00 -3.446473714e+00 -3.119044162e+00 -7.107559744e-01 -2.653808945e+00 -1.605727047e+00 2.24 -3.356940945e+00 -3.423783248e+00 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