# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--W-Ni-Co # implementation = 2025--Sharifi-H--W-Ni-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 Ni Co W W W Ni Ni Co Co Ni W 0.02 4.464903951e+05 1.152475228e+06 3.088961997e+06 4.627988409e+05 4.307816124e+05 1.197700222e+06 0.04 1.866816852e+05 4.731212113e+05 1.248039057e+06 1.934542832e+05 1.801701080e+05 4.932375292e+05 0.06 1.062855355e+05 2.653209800e+05 6.913673195e+05 1.101353242e+05 1.025931362e+05 2.777101551e+05 0.08 6.899759075e+04 1.699324924e+05 4.383041981e+05 7.150221648e+04 6.660242451e+04 1.787151328e+05 0.10 4.825083160e+04 1.173469065e+05 2.999739560e+05 5.001136161e+04 4.657294020e+04 1.240870203e+05 0.12 3.540990821e+04 8.508214304e+04 2.157694227e+05 3.671185755e+04 3.417377209e+04 9.052256942e+04 0.14 2.688364111e+04 6.384290842e+04 1.607687646e+05 2.788203775e+04 2.593965471e+04 6.838844966e+04 0.16 2.093348031e+04 4.915060444e+04 1.230150501e+05 2.172048195e+04 2.019271284e+04 5.304362077e+04 0.18 1.662474692e+04 3.860664732e+04 9.612678154e+04 1.725883939e+04 1.603076639e+04 4.200258344e+04 0.20 1.341448688e+04 3.082231772e+04 7.642158391e+04 1.393465691e+04 1.292968224e+04 3.382627309e+04 0.22 1.096788573e+04 2.494407377e+04 6.164460154e+04 1.140112974e+04 1.056621973e+04 2.763015338e+04 0.24 9.068515282e+03 2.042219025e+04 5.034996340e+04 9.434101450e+03 8.731410747e+03 2.284448165e+04 0.26 7.571054211e+03 1.688911921e+04 4.157591708e+04 7.883078369e+03 7.284927075e+03 1.908827210e+04 0.28 6.374835591e+03 1.409150591e+04 3.466336670e+04 6.643823836e+03 6.129547928e+03 1.609885518e+04 0.30 5.408305479e+03 1.185027019e+04 2.914939278e+04 5.642257180e+03 5.196158670e+03 1.369051672e+04 0.32 4.619489200e+03 1.003613206e+04 2.470204377e+04 4.824576857e+03 4.434548282e+03 1.172913952e+04 0.34 3.969930742e+03 8.554066573e+03 2.107899798e+04 4.150981824e+03 3.807559190e+03 1.011609708e+04 0.36 3.430723358e+03 7.333136783e+03 1.810060197e+04 3.591559458e+03 3.287255585e+03 8.777719962e+03 0.38 2.979836167e+03 6.319660802e+03 1.563181665e+04 3.123516198e+03 2.852342662e+03 7.658216872e+03 0.40 2.600273337e+03 5.472520398e+03 1.356987684e+04 2.729270784e+03 2.486389463e+03 6.714814703e+03 0.42 2.278781448e+03 4.759878569e+03 1.183570090e+04 2.395115433e+03 2.176580828e+03 5.914358474e+03 0.44 2.004924298e+03 4.156840327e+03 1.036780348e+04 2.110257711e+03 1.912824018e+03 5.230888478e+03 0.46 1.770411442e+03 3.643763325e+03 9.117925870e+03 1.866125251e+03 1.687100247e+03 4.643890651e+03 0.48 1.568603939e+03 3.205021008e+03 8.047856858e+03 1.655854062e+03 1.492987289e+03 4.137015698e+03 0.50 1.394145604e+03 2.828085204e+03 7.127090008e+03 1.473906825e+03 1.325303243e+03 3.697129074e+03 0.52 1.242685424e+03 2.502839661e+03 6.331081970e+03 1.315785606e+03 1.179838313e+03 3.313600144e+03 0.54 1.110666193e+03 2.221060640e+03 5.639943132e+03 1.177813160e+03 1.053150549e+03 2.977764318e+03 0.56 9.951620747e+02 1.976020271e+03 5.037444034e+03 1.056964878e+03 9.424088246e+02 2.682512291e+03 0.58 8.937529417e+02 1.762181652e+03 4.510256232e+03 9.507388162e+02 8.452713503e+02 2.421974262e+03 0.60 8.044270596e+02 1.574962203e+03 4.047366509e+03 8.570541847e+02 7.597907505e+02 2.191274788e+03 0.62 7.248871477e+02 1.410548806e+03 3.639621799e+03 7.741715794e+02 6.843394404e+02 1.986341260e+03 0.64 6.528564978e+02 1.265752579e+03 3.279373488e+03 7.006299394e+02 6.175506291e+02 1.803753370e+03 0.66 5.877720766e+02 1.137893783e+03 2.960196858e+03 6.351963020e+02 5.582712803e+02 1.640623783e+03 0.68 5.290772155e+02 1.024710246e+03 2.676668799e+03 5.768256025e+02 5.055244638e+02 1.494503127e+03 0.70 4.762075722e+02 9.242840513e+02 2.424190553e+03 5.246283262e+02 4.584790508e+02 1.363303901e+03 0.72 4.286160930e+02 8.349824241e+02 2.198845260e+03 4.778442944e+02 4.164251474e+02 1.245239060e+03 0.74 3.857872331e+02 7.554099345e+02 1.997283124e+03 4.358213702e+02 3.787541340e+02 1.138772326e+03 0.76 3.472441510e+02 6.843695964e+02 1.816628175e+03 3.979980540e+02 3.449423452e+02 1.042577700e+03 0.78 3.125513818e+02 6.208310295e+02 1.654402130e+03 3.638891798e+02 3.145376557e+02 9.555062899e+02 0.80 2.813147154e+02 5.639043447e+02 1.508462034e+03 3.330741409e+02 2.871484355e+02 8.765590646e+02 0.82 2.531794044e+02 5.128185699e+02 1.376948825e+03 3.051871291e+02 2.624343921e+02 8.048643162e+02 0.84 2.278274597e+02 4.669037672e+02 1.258244725e+03 2.799090185e+02 2.400989552e+02 7.396589433e+02 0.86 2.049745335e+02 4.255761667e+02 1.150937851e+03 2.569606004e+02 2.198829288e+02 6.802728669e+02 0.88 1.843666853e+02 3.883257238e+02 1.053792600e+03 2.360969052e+02 2.015591625e+02 6.261159591e+02 0.90 1.657772291e+02 3.547056868e+02 9.657248253e+02 2.171024320e+02 1.849280744e+02 5.766670606e+02 0.92 1.490037725e+02 3.243238176e+02 8.857809413e+02 1.997871246e+02 1.698138758e+02 5.314647161e+02 0.94 1.338654924e+02 2.968349587e+02 8.131202281e+02 1.839829582e+02 1.560613679e+02 4.900993097e+02 0.96 1.202006787e+02 2.719347373e+02 7.469998374e+02 1.695410437e+02 1.435332248e+02 4.522063862e+02 0.98 1.078645429e+02 2.493542069e+02 6.867620225e+02 1.563291582e+02 1.321076774e+02 4.174609484e+02 1.00 9.672727434e+01 2.288552658e+02 6.318232145e+02 1.442296309e+02 1.216765299e+02 3.855725663e+02 1.02 8.667233378e+01 2.102003863e+02 5.816646774e+02 1.331250128e+02 1.121434630e+02 3.562876432e+02 1.04 7.759495385e+01 1.922032342e+02 5.358244648e+02 1.227064231e+02 1.034225496e+02 3.283156902e+02 1.06 6.940082651e+01 1.745874948e+02 4.938904843e+02 1.128558849e+02 9.530980908e+01 3.004017210e+02 1.08 6.200495709e+01 1.576780621e+02 4.554945108e+02 1.035530988e+02 8.715041994e+01 2.732054563e+02 1.10 5.533065970e+01 1.416868741e+02 4.203069887e+02 9.478192872e+01 7.907839665e+01 2.471991610e+02 1.12 4.930867804e+01 1.267423765e+02 3.880325189e+02 8.652852875e+01 7.127829029e+01 2.226866030e+02 1.14 4.387641495e+01 1.129106171e+02 3.584059321e+02 7.878000427e+01 6.387210674e+01 1.998447289e+02 1.16 3.897725315e+01 1.002116993e+02 3.311888540e+02 7.152347279e+01 5.693485110e+01 1.787563262e+02 1.18 3.455995731e+01 8.863254156e+01 3.061667066e+02 6.474544683e+01 5.050670284e+01 1.594354606e+02 1.20 3.057814501e+01 7.813673354e+01 2.831460781e+02 5.843146989e+01 4.460243868e+01 1.418472066e+02 1.22 2.698981631e+01 6.867210071e+01 2.619524110e+02 5.256594699e+01 3.921868632e+01 1.259228501e+02 1.24 2.375693575e+01 6.017645887e+01 2.424279709e+02 4.713211923e+01 3.433946678e+01 1.115714962e+02 1.26 2.084505833e+01 5.258195409e+01 2.244300549e+02 4.211214161e+01 2.994040276e+01 9.868885721e+01 1.28 1.822299399e+01 4.581829108e+01 2.078305263e+02 3.748723073e+01 2.599188080e+01 8.716381595e+01 1.30 1.586250651e+01 3.981509600e+01 1.919238032e+02 3.323785540e+01 2.246139952e+01 7.688325079e+01 1.32 1.373804131e+01 3.450360708e+01 1.759334068e+02 2.934394994e+01 1.931528857e+01 6.773550889e+01 1.34 1.182647953e+01 2.981784578e+01 1.602662105e+02 2.578513409e+01 1.651994089e+01 5.961283122e+01 1.36 1.010691554e+01 2.569539140e+01 1.452189403e+02 2.254092813e+01 1.404267358e+01 5.241297557e+01 1.38 8.560454247e+00 2.207785220e+01 1.309857738e+02 1.959095496e+01 1.185230548e+01 4.604022697e+01 1.40 7.170027281e+00 1.891111019e+01 1.176833735e+02 1.691512357e+01 9.919522037e+00 4.040594938e+01 1.42 5.920225463e+00 1.614539780e+01 1.053705770e+02 1.449379077e+01 8.217081914e+00 3.542879762e+01 1.44 4.797145861e+00 1.373525114e+01 9.406380850e+01 1.230789933e+01 6.719906842e+00 3.103468047e+01 1.46 3.788252604e+00 1.163937767e+01 8.374905855e+01 1.033909233e+01 5.405088406e+00 2.715655073e+01 1.48 2.882249682e+00 9.820463881e+00 7.439114680e+01 8.569804248e+00 4.251835952e+00 2.373407534e+01 1.50 2.068964758e+00 8.244944606e+00 6.594081913e+01 6.983329915e+00 3.241384692e+00 2.071322872e+01 1.52 1.339243375e+00 6.882751436e+00 5.834013058e+01 5.563873368e+00 2.356879051e+00 1.804584345e+01 1.54 6.848521694e-01 5.707049685e+00 5.152648204e+01 4.296578166e+00 1.583240951e+00 1.568913961e+01 1.56 9.839066907e-02 4.693974189e+00 4.543559659e+01 3.167541537e+00 9.070315153e-01 1.360525233e+01 1.58 -4.267890123e-01 3.822370477e+00 4.000367172e+01 2.163814621e+00 3.163119369e-01 1.176077028e+01 1.60 -8.966555297e-01 3.073544657e+00 3.516888918e+01 1.273390540e+00 -1.994931640e-01 1.012629215e+01 1.62 -1.316564948e+00 2.431026299e+00 3.087243283e+01 4.851827098e-01 -6.497264730e-01 8.676008971e+00 1.64 -1.691321369e+00 1.880345648e+00 2.705913279e+01 -2.110048446e-01 -1.042621397e+00 7.387314606e+00 1.66 -2.025232118e+00 1.408825859e+00 2.367782626e+01 -8.245136511e-01 -1.385417333e+00 6.240446021e+00 1.68 -2.322157739e+00 1.005391517e+00 2.068150996e+01 -1.363871482e+00 -1.684465835e+00 5.218154859e+00 1.70 -2.585557399e+00 6.603928115e-01 1.802733975e+01 -1.836836508e+00 -1.945327976e+00 4.305408971e+00 1.72 -2.818530051e+00 3.654450672e-01 1.567652185e+01 -2.250443662e+00 -2.172862963e+00 3.489123117e+00 1.74 -3.023851785e+00 1.132827112e-01 1.359413118e+01 -2.611051967e+00 -2.371308166e+00 2.757917787e+00 1.76 -3.204019477e+00 -1.023727180e-01 1.174888114e+01 -2.924392267e+00 -2.544351324e+00 2.101903645e+00 1.78 -3.361306189e+00 -2.869312560e-01 1.011286584e+01 -3.195614473e+00 -2.695195276e+00 1.512490172e+00 1.80 -3.497789222e+00 -4.450409016e-01 8.661289167e+00 -3.429333743e+00 -2.826615835e+00 9.822164362e-01 1.82 -3.615366661e+00 -5.806829490e-01 7.372190098e+00 -3.629675025e+00 -2.941013364e+00 5.046020070e-01 1.84 -3.715772365e+00 -6.972568272e-01 6.226177368e+00 -3.800315739e+00 -3.040458520e+00 7.401613169e-02 1.86 -3.800589825e+00 -7.976555235e-01 5.206173556e+00 -3.944526367e+00 -3.126732922e+00 -3.144368287e-01 1.88 -3.871264897e+00 -8.843325317e-01 4.297172615e+00 -4.065208808e+00 -3.201365227e+00 -6.650174321e-01 1.90 -3.929117455e+00 -9.593609631e-01 3.486014460e+00 -4.164932226e+00 -3.265662976e+00 -9.814380721e-01 1.92 -3.975352112e+00 -1.024485838e+00 2.761176953e+00 -4.245966471e+00 -3.320740758e+00 -1.266938454e+00 1.94 -4.011068058e+00 -1.081170342e+00 2.112585831e+00 -4.310313064e+00 -3.367545087e+00 -1.524350924e+00 1.96 -4.037268082e+00 -1.130637000e+00 1.531442668e+00 -4.359733686e+00 -3.406876320e+00 -1.756156832e+00 1.98 -4.054866869e+00 -1.173904767e+00 1.010069690e+00 -4.395776385e+00 -3.439408023e+00 -1.964535163e+00 2.00 -4.064698618e+00 -1.211822442e+00 5.417709429e-01 -4.419799502e+00 -3.465704055e+00 -2.151404320e+00 2.02 -4.067524016e+00 -1.245100459e+00 1.207087337e-01 -4.432996272e+00 -3.486233635e+00 -2.318458013e+00 2.04 -4.064036659e+00 -1.274342133e+00 -2.582060834e-01 -4.436437131e+00 -3.501388153e+00 -2.467196061e+00 2.06 -4.054868922e+00 -1.300075434e+00 -5.994108181e-01 -4.431100446e+00 -3.511515029e+00 -2.598951497e+00 2.08 -4.040597337e+00 -1.322786422e+00 -9.067750872e-01 -4.417881444e+00 -3.516938222e+00 -2.714931263e+00 2.10 -4.021747524e+00 -1.342956572e+00 -1.183674898e+00 -4.397599060e+00 -3.517960964e+00 -2.816262127e+00 2.12 -3.998798677e+00 -1.361118286e+00 -1.433059688e+00 -4.371002213e+00 -3.514867478e+00 -2.904001919e+00 2.14 -3.972187677e+00 -1.377909647e+00 -1.657509243e+00 -4.338775575e+00 -3.507924619e+00 -2.979143474e+00 2.16 -3.942312822e+00 -1.394110386e+00 -1.859282994e+00 -4.301544884e+00 -3.497383438e+00 -3.042618287e+00 2.18 -3.909537230e+00 -1.410674985e+00 -2.040362865e+00 -4.259881798e+00 -3.483480657e+00 -3.095299909e+00 2.20 -3.874191920e+00 -1.428761168e+00 -2.202490879e+00 -4.214308381e+00 -3.466440049e+00 -3.138007078e+00 2.22 -3.836578615e+00 -1.449748209e+00 -2.347202976e+00 -4.165301200e+00 -3.446473714e+00 -3.171506633e+00 2.24 -3.796972269e+00 -1.475237204e+00 -2.475861721e+00 -4.113295100e+00 -3.423783248e+00 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