# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cr-Co # implementation = 2025--Sharifi-H--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 Co Co Cr Cr Cr 0.02 4.307816124e+05 1.801675345e+04 6.540873203e+02 0.04 1.801701080e+05 8.470930373e+03 2.974270961e+02 0.06 1.025931362e+05 5.397659787e+03 1.817366538e+02 0.08 6.660242451e+04 3.906526253e+03 1.255085055e+02 0.10 4.657294020e+04 3.034928304e+03 9.282445045e+01 0.12 3.417377209e+04 2.465872126e+03 7.175739755e+01 0.14 2.593965471e+04 2.065656186e+03 5.722441042e+01 0.16 2.019271284e+04 1.768660962e+03 4.670291143e+01 0.18 1.603076639e+04 1.539156312e+03 3.880451606e+01 0.20 1.292968224e+04 1.356137149e+03 3.270530857e+01 0.22 1.056621973e+04 1.206496641e+03 2.788735627e+01 0.24 8.731410747e+03 1.081655663e+03 2.400993348e+01 0.26 7.284927075e+03 9.757724530e+02 2.084044988e+01 0.28 6.129547928e+03 8.847343690e+02 1.821516468e+01 0.30 5.196158670e+03 8.055626951e+02 1.601577310e+01 0.32 4.434548282e+03 7.360462963e+02 1.415486872e+01 0.34 3.807559190e+03 6.745081504e+02 1.256660780e+01 0.36 3.287255585e+03 6.196521016e+02 1.120054293e+01 0.38 2.852342662e+03 5.704593938e+02 1.001743918e+01 0.40 2.486389463e+03 5.261171945e+02 8.986373767e+00 0.42 2.176580828e+03 4.859681828e+02 8.082685975e+00 0.44 1.912824018e+03 4.494742569e+02 7.286499636e+00 0.46 1.687100247e+03 4.161899967e+02 6.581642675e+00 0.48 1.492987289e+03 3.857429507e+02 5.954845050e+00 0.50 1.325303243e+03 3.578187666e+02 5.395134479e+00 0.52 1.179838313e+03 3.321498548e+02 4.893376521e+00 0.54 1.053150549e+03 3.085066324e+02 4.441920000e+00 0.56 9.424088246e+02 2.866906836e+02 4.034320609e+00 0.58 8.452713503e+02 2.665293763e+02 3.665123775e+00 0.60 7.597907505e+02 2.478715748e+02 3.329692099e+00 0.62 6.843394404e+02 2.305841998e+02 3.024067164e+00 0.64 6.175506291e+02 2.145494498e+02 2.744858108e+00 0.66 5.582712803e+02 1.996625331e+02 2.489150853e+00 0.68 5.055244638e+02 1.858298086e+02 2.254433789e+00 0.70 4.584790508e+02 1.729672495e+02 2.038536539e+00 0.72 4.164251474e+02 1.609991654e+02 1.839579037e+00 0.74 3.787541340e+02 1.498571332e+02 1.655929091e+00 0.76 3.449423452e+02 1.394790982e+02 1.486166743e+00 0.78 3.145376557e+02 1.298086120e+02 1.329054155e+00 0.80 2.871484355e+02 1.208265599e+02 1.183510127e+00 0.82 2.624343921e+02 1.126616799e+02 1.048588357e+00 0.84 2.400989552e+02 1.050851859e+02 9.234588482e-01 0.86 2.198829288e+02 9.790368441e+01 8.073919681e-01 0.88 2.015591625e+02 9.101063675e+01 6.997446877e-01 0.90 1.849280744e+02 8.435624082e+01 5.999487002e-01 0.92 1.698138758e+02 7.792592334e+01 5.075001336e-01 0.94 1.560613679e+02 7.172534972e+01 4.219505962e-01 0.96 1.435332248e+02 6.577023353e+01 3.428993955e-01 0.98 1.321076774e+02 6.007962493e+01 2.699867544e-01 1.00 1.216765299e+02 5.467170122e+01 2.028878801e-01 1.02 1.121434630e+02 4.956132243e+01 1.413077949e-01 1.04 1.034225496e+02 4.475880730e+01 8.497681174e-02 1.06 9.530980908e+01 4.026953014e+01 3.603504935e-02 1.08 8.715041994e+01 3.609404461e+01 8.954065071e-02 1.10 7.907839665e+01 3.222852843e+01 2.495766069e-01 1.12 7.127829029e+01 2.866539974e+01 4.637947808e-01 1.14 6.387210674e+01 2.539400398e+01 6.957144645e-01 1.16 5.693485110e+01 2.240130526e+01 9.206616895e-01 1.18 5.050670284e+01 1.967253762e+01 1.122801048e+00 1.20 4.460243868e+01 1.719179227e+01 1.292822975e+00 1.22 3.921868632e+01 1.494252811e+01 1.426151944e+00 1.24 3.433946678e+01 1.290800105e+01 1.521570680e+00 1.26 2.994040276e+01 1.107161440e+01 1.580170272e+00 1.28 2.599188080e+01 9.417195243e+00 1.604552585e+00 1.30 2.246139952e+01 7.929204265e+00 1.598235746e+00 1.32 1.931528857e+01 6.592887376e+00 1.565216795e+00 1.34 1.651994089e+01 5.394377506e+00 1.509656407e+00 1.36 1.404267358e+01 4.320755133e+00 1.435657341e+00 1.38 1.185230548e+01 3.360074912e+00 1.347114597e+00 1.40 9.919522037e+00 2.501365658e+00 1.247619742e+00 1.42 8.217081914e+00 1.734609741e+00 1.140404641e+00 1.44 6.719906842e+00 1.050707000e+00 1.028310808e+00 1.46 5.405088406e+00 4.414279573e-01 9.137902971e-01 1.48 4.251835952e+00 -1.006402211e-01 7.989196848e-01 1.50 3.241384692e+00 -5.821519747e-01 6.854210409e-01 1.52 2.356879051e+00 -1.009063263e+00 5.746890450e-01 1.54 1.583240951e+00 -1.386691547e+00 4.678216929e-01 1.56 9.070315153e-01 -1.719774299e+00 3.656524822e-01 1.58 3.163119369e-01 -2.012525028e+00 2.687826353e-01 1.60 -1.994931640e-01 -2.268686312e+00 1.776124476e-01 1.62 -6.497264730e-01 -2.491586116e+00 9.237096793e-02 1.64 -1.042621397e+00 -2.684235134e+00 1.314551209e-02 1.66 -1.385417333e+00 -2.849396928e+00 -6.008779955e-02 1.68 -1.684465835e+00 -2.989610170e+00 -1.274486061e-01 1.70 -1.945327976e+00 -3.107206165e+00 -1.891338778e-01 1.72 -2.172862963e+00 -3.204324823e+00 -2.453993303e-01 1.74 -2.371308166e+00 -3.282929246e+00 -2.965431204e-01 1.76 -2.544351324e+00 -3.344819115e+00 -3.428916752e-01 1.78 -2.695195276e+00 -3.391642985e+00 -3.847875424e-01 1.80 -2.826615835e+00 -3.424909632e+00 -4.225791055e-01 1.82 -2.941013364e+00 -3.445998565e+00 -4.566120088e-01 1.84 -3.040458520e+00 -3.456169791e+00 -4.872221490e-01 1.86 -3.126732922e+00 -3.456572925e+00 -5.147300807e-01 1.88 -3.201365227e+00 -3.448255710e+00 -5.394368620e-01 1.90 -3.265662976e+00 -3.432172011e+00 -5.616255060e-01 1.92 -3.320740758e+00 -3.409189318e+00 -5.815580806e-01 1.94 -3.367545087e+00 -3.380095809e+00 -5.994682287e-01 1.96 -3.406876320e+00 -3.345606979e+00 -6.155606982e-01 1.98 -3.439408023e+00 -3.306371868e+00 -6.300118584e-01 2.00 -3.465704055e+00 -3.262978867e+00 -6.429707218e-01 2.02 -3.486233635e+00 -3.215986507e+00 -6.545603692e-01 2.04 -3.501388153e+00 -3.166002631e+00 -6.648803042e-01 2.06 -3.511515029e+00 -3.113588118e+00 -6.740121939e-01 2.08 -3.516938222e+00 -3.059231460e+00 -6.820245590e-01 2.10 -3.517960964e+00 -3.003357514e+00 -6.889752681e-01 2.12 -3.514867478e+00 -2.946335266e+00 -6.949137513e-01 2.14 -3.507924619e+00 -2.888484735e+00 -6.998830095e-01 2.16 -3.497383438e+00 -2.830083093e+00 -7.039213940e-01 2.18 -3.483480657e+00 -2.771370039e+00 -7.070626140e-01 2.20 -3.466440049e+00 -2.712552536e+00 -7.093324765e-01 2.22 -3.446473714e+00 -2.653808945e+00 -7.107559744e-01 2.24 -3.423783248e+00 -2.595292631e+00 -7.113598625e-01 2.26 -3.398560795e+00 -2.537135102e+00 -7.111729050e-01 2.28 -3.370989970e+00 -2.479448727e+00 -7.102259366e-01 2.30 -3.341246660e+00 -2.422329098e+00 -7.085517642e-01 2.32 -3.309499698e+00 -2.365857083e+00 -7.061849388e-01 2.34 -3.275911408e+00 -2.310100598e+00 -7.031614307e-01 2.36 -3.240638025e+00 -2.255116167e+00 -6.995182407e-01 2.38 -3.203830010e+00 -2.200950277e+00 -6.952929821e-01 2.40 -3.165632244e+00 -2.147640568e+00 -6.905234599e-01 2.42 -3.126184148e+00 -2.095216889e+00 -6.852472729e-01 2.44 -3.085619711e+00 -2.043702233e+00 -6.795014575e-01 2.46 -3.044067470e+00 -1.993113560e+00 -6.733221834e-01 2.48 -3.001650435e+00 -1.943462537e+00 -6.667445099e-01 2.50 -2.958485995e+00 -1.894756191e+00 -6.598022274e-01 2.52 -2.914685615e+00 -1.846997490e+00 -6.525305275e-01 2.54 -2.870354222e+00 -1.800185843e+00 -6.449677869e-01 2.56 -2.825590835e+00 -1.754317543e+00 -6.371499223e-01 2.58 -2.780488716e+00 -1.709386133e+00 -6.291098966e-01 2.60 -2.735135327e+00 -1.665382709e+00 -6.208779224e-01 2.62 -2.689612355e+00 -1.622296143e+00 -6.124816643e-01 2.64 -2.643995766e+00 -1.580113232e+00 -6.039464355e-01 2.66 -2.598355920e+00 -1.538818749e+00 -5.952953852e-01 2.68 -2.552757730e+00 -1.498395388e+00 -5.865496741e-01 2.70 -2.507260861e+00 -1.458823556e+00 -5.777286385e-01 2.72 -2.461919961e+00 -1.420080981e+00 -5.688499423e-01 2.74 -2.416784927e+00 -1.382142041e+00 -5.599297156e-01 2.76 -2.371901178e+00 -1.344976712e+00 -5.509826833e-01 2.78 -2.327309949e+00 -1.308548924e+00 -5.420222821e-01 2.80 -2.283048583e+00 -1.272814029e+00 -5.330607676e-01 2.82 -2.239150822e+00 -1.237714875e+00 -5.241093128e-01 2.84 -2.195647085e+00 -1.203175662e+00 -5.151780975e-01 2.86 -2.152564730e+00 -1.169092201e+00 -5.062763906e-01 2.88 -2.109928310e+00 -1.135316266e+00 -4.974126251e-01 2.90 -2.067759796e+00 -1.101630147e+00 -4.885944668e-01 2.92 -2.026078791e+00 -1.067704905e+00 -4.798288771e-01 2.94 -1.984902713e+00 -1.033031888e+00 -4.711221704e-01 2.96 -1.944246978e+00 -9.968122774e-01 -4.624800668e-01 2.98 -1.904125141e+00 -9.577883117e-01 -4.539077402e-01 3.00 -1.864549048e+00 -9.140206851e-01 -4.454098621e-01 3.02 -1.825528954e+00 -8.627149222e-01 -4.369906423e-01 3.04 -1.787073640e+00 -8.004866524e-01 -4.286538655e-01 3.06 -1.749190518e+00 -7.249333332e-01 -4.204029250e-01 3.08 -1.711885726e+00 -6.381411205e-01 -4.122408540e-01 3.10 -1.675164219e+00 -5.496659326e-01 -4.041703538e-01 3.12 -1.639029848e+00 -4.730902185e-01 -3.961938197e-01 3.14 -1.603485442e+00 -4.169714811e-01 -3.883133648e-01 3.16 -1.568532873e+00 -3.807231523e-01 -3.805308422e-01 3.18 -1.534173132e+00 -3.585202454e-01 -3.728478646e-01 3.20 -1.500406384e+00 -3.443460014e-01 -3.652658231e-01 3.22 -1.467232035e+00 -3.341091811e-01 -3.577859038e-01 3.24 -1.434648781e+00 -3.255980593e-01 -3.504091037e-01 3.26 -1.402654669e+00 -3.178001166e-01 -3.431362447e-01 3.28 -1.371247138e+00 -3.103137804e-01 -3.359679868e-01 3.30 -1.340423075e+00 -3.029999008e-01 -3.289048402e-01 3.32 -1.310178851e+00 -2.958158584e-01 -3.219471767e-01 3.34 -1.280510368e+00 -2.887495421e-01 -3.150952396e-01 3.36 -1.251413098e+00 -2.817971687e-01 -3.083491535e-01 3.38 -1.222882117e+00 -2.749569897e-01 -3.017089329e-01 3.40 -1.194912145e+00 -2.682277799e-01 -2.951744903e-01 3.42 -1.167497573e+00 -2.616085207e-01 -2.887456438e-01 3.44 -1.140632500e+00 -2.550983292e-01 -2.824221239e-01 3.46 -1.114310759e+00 -2.486964313e-01 -2.762035800e-01 3.48 -1.088525943e+00 -2.424021411e-01 -2.700895865e-01 3.50 -1.063271436e+00 -2.362148444e-01 -2.640796482e-01 3.52 -1.038540433e+00 -2.301339825e-01 -2.581732051e-01 3.54 -1.014325962e+00 -2.241590388e-01 -2.523696381e-01 3.56 -9.906209099e-01 -2.182895257e-01 -2.466682725e-01 3.58 -9.674180378e-01 -2.125249745e-01 -2.410683828e-01 3.60 -9.447100017e-01 -2.068649247e-01 -2.355691962e-01 3.62 -9.224893696e-01 -2.013089162e-01 -2.301698966e-01 3.64 -9.007486372e-01 -1.958564814e-01 -2.248696276e-01 3.66 -8.794802436e-01 -1.905071389e-01 -2.196674961e-01 3.68 -8.586765849e-01 -1.852603882e-01 -2.145625748e-01 3.70 -8.383300276e-01 -1.801157047e-01 -2.095539057e-01 3.72 -8.184329207e-01 -1.750725358e-01 -2.046405019e-01 3.74 -7.989776070e-01 -1.701302979e-01 -1.998213507e-01 3.76 -7.799564337e-01 -1.652883737e-01 -1.950954157e-01 3.78 -7.613617621e-01 -1.605461105e-01 -1.904616390e-01 3.80 -7.431859766e-01 -1.559028181e-01 -1.859189432e-01 3.82 -7.254214934e-01 -1.513577684e-01 -1.814662337e-01 3.84 -7.080607677e-01 -1.469101945e-01 -1.771024001e-01 3.86 -6.910963011e-01 -1.425592909e-01 -1.728263181e-01 3.88 -6.745206481e-01 -1.383042131e-01 -1.686368514e-01 3.90 -6.583264223e-01 -1.341440782e-01 -1.645328529e-01 3.92 -6.425063011e-01 -1.300779658e-01 -1.605131664e-01 3.94 -6.270530314e-01 -1.261049189e-01 -1.565766279e-01 3.96 -6.119594338e-01 -1.222239448e-01 -1.527220669e-01 3.98 -5.972184064e-01 -1.184340163e-01 -1.489483078e-01 4.00 -5.828229287e-01 -1.147340736e-01 -1.452541712e-01 4.02 -5.687660642e-01 -1.111230254e-01 -1.416384744e-01 4.04 -5.550409636e-01 -1.075997508e-01 -1.381000333e-01 4.06 -5.416408669e-01 -1.041631009e-01 -1.346376629e-01 4.08 -5.285591053e-01 -1.008119007e-01 -1.312501784e-01 4.10 -5.157891024e-01 -9.754495075e-02 -1.279363961e-01 4.12 -5.033243762e-01 -9.436102919e-02 -1.246951342e-01 4.14 -4.911585389e-01 -9.125889363e-02 -1.215252138e-01 4.16 -4.792852982e-01 -8.823728298e-02 -1.184254596e-01 4.18 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