# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Co-W # implementation = 2025--Sharifi-H--Co-W--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 W Co Co W W 0.02 1.152475228e+06 4.307816124e+05 3.088961997e+06 0.04 4.731212113e+05 1.801701080e+05 1.248039057e+06 0.06 2.653209800e+05 1.025931362e+05 6.913673195e+05 0.08 1.699324924e+05 6.660242451e+04 4.383041981e+05 0.10 1.173469065e+05 4.657294020e+04 2.999739560e+05 0.12 8.508214304e+04 3.417377209e+04 2.157694227e+05 0.14 6.384290842e+04 2.593965471e+04 1.607687646e+05 0.16 4.915060444e+04 2.019271284e+04 1.230150501e+05 0.18 3.860664732e+04 1.603076639e+04 9.612678154e+04 0.20 3.082231772e+04 1.292968224e+04 7.642158391e+04 0.22 2.494407377e+04 1.056621973e+04 6.164460154e+04 0.24 2.042219025e+04 8.731410747e+03 5.034996340e+04 0.26 1.688911921e+04 7.284927075e+03 4.157591708e+04 0.28 1.409150591e+04 6.129547928e+03 3.466336670e+04 0.30 1.185027019e+04 5.196158670e+03 2.914939278e+04 0.32 1.003613206e+04 4.434548282e+03 2.470204377e+04 0.34 8.554066573e+03 3.807559190e+03 2.107899798e+04 0.36 7.333136783e+03 3.287255585e+03 1.810060197e+04 0.38 6.319660802e+03 2.852342662e+03 1.563181665e+04 0.40 5.472520398e+03 2.486389463e+03 1.356987684e+04 0.42 4.759878569e+03 2.176580828e+03 1.183570090e+04 0.44 4.156840327e+03 1.912824018e+03 1.036780348e+04 0.46 3.643763325e+03 1.687100247e+03 9.117925870e+03 0.48 3.205021008e+03 1.492987289e+03 8.047856858e+03 0.50 2.828085204e+03 1.325303243e+03 7.127090008e+03 0.52 2.502839661e+03 1.179838313e+03 6.331081970e+03 0.54 2.221060640e+03 1.053150549e+03 5.639943132e+03 0.56 1.976020271e+03 9.424088246e+02 5.037444034e+03 0.58 1.762181652e+03 8.452713503e+02 4.510256232e+03 0.60 1.574962203e+03 7.597907505e+02 4.047366509e+03 0.62 1.410548806e+03 6.843394404e+02 3.639621799e+03 0.64 1.265752579e+03 6.175506291e+02 3.279373488e+03 0.66 1.137893783e+03 5.582712803e+02 2.960196858e+03 0.68 1.024710246e+03 5.055244638e+02 2.676668799e+03 0.70 9.242840513e+02 4.584790508e+02 2.424190553e+03 0.72 8.349824241e+02 4.164251474e+02 2.198845260e+03 0.74 7.554099345e+02 3.787541340e+02 1.997283124e+03 0.76 6.843695964e+02 3.449423452e+02 1.816628175e+03 0.78 6.208310295e+02 3.145376557e+02 1.654402130e+03 0.80 5.639043447e+02 2.871484355e+02 1.508462034e+03 0.82 5.128185699e+02 2.624343921e+02 1.376948825e+03 0.84 4.669037672e+02 2.400989552e+02 1.258244725e+03 0.86 4.255761667e+02 2.198829288e+02 1.150937851e+03 0.88 3.883257238e+02 2.015591625e+02 1.053792600e+03 0.90 3.547056868e+02 1.849280744e+02 9.657248253e+02 0.92 3.243238176e+02 1.698138758e+02 8.857809413e+02 0.94 2.968349587e+02 1.560613679e+02 8.131202281e+02 0.96 2.719347373e+02 1.435332248e+02 7.469998374e+02 0.98 2.493542069e+02 1.321076774e+02 6.867620225e+02 1.00 2.288552658e+02 1.216765299e+02 6.318232145e+02 1.02 2.102003863e+02 1.121434630e+02 5.816646774e+02 1.04 1.922032342e+02 1.034225496e+02 5.358244648e+02 1.06 1.745874948e+02 9.530980908e+01 4.938904843e+02 1.08 1.576780621e+02 8.715041994e+01 4.554945108e+02 1.10 1.416868741e+02 7.907839665e+01 4.203069887e+02 1.12 1.267423765e+02 7.127829029e+01 3.880325189e+02 1.14 1.129106171e+02 6.387210674e+01 3.584059321e+02 1.16 1.002116993e+02 5.693485110e+01 3.311888540e+02 1.18 8.863254156e+01 5.050670284e+01 3.061667066e+02 1.20 7.813673354e+01 4.460243868e+01 2.831460781e+02 1.22 6.867210071e+01 3.921868632e+01 2.619524110e+02 1.24 6.017645887e+01 3.433946678e+01 2.424279709e+02 1.26 5.258195409e+01 2.994040276e+01 2.244300549e+02 1.28 4.581829108e+01 2.599188080e+01 2.078305263e+02 1.30 3.981509600e+01 2.246139952e+01 1.919238032e+02 1.32 3.450360708e+01 1.931528857e+01 1.759334068e+02 1.34 2.981784578e+01 1.651994089e+01 1.602662105e+02 1.36 2.569539140e+01 1.404267358e+01 1.452189403e+02 1.38 2.207785220e+01 1.185230548e+01 1.309857738e+02 1.40 1.891111019e+01 9.919522037e+00 1.176833735e+02 1.42 1.614539780e+01 8.217081914e+00 1.053705770e+02 1.44 1.373525114e+01 6.719906842e+00 9.406380850e+01 1.46 1.163937767e+01 5.405088406e+00 8.374905855e+01 1.48 9.820463881e+00 4.251835952e+00 7.439114680e+01 1.50 8.244944606e+00 3.241384692e+00 6.594081913e+01 1.52 6.882751436e+00 2.356879051e+00 5.834013058e+01 1.54 5.707049685e+00 1.583240951e+00 5.152648204e+01 1.56 4.693974189e+00 9.070315153e-01 4.543559659e+01 1.58 3.822370477e+00 3.163119369e-01 4.000367172e+01 1.60 3.073544657e+00 -1.994931640e-01 3.516888918e+01 1.62 2.431026299e+00 -6.497264730e-01 3.087243283e+01 1.64 1.880345648e+00 -1.042621397e+00 2.705913279e+01 1.66 1.408825859e+00 -1.385417333e+00 2.367782626e+01 1.68 1.005391517e+00 -1.684465835e+00 2.068150996e+01 1.70 6.603928115e-01 -1.945327976e+00 1.802733975e+01 1.72 3.654450672e-01 -2.172862963e+00 1.567652185e+01 1.74 1.132827112e-01 -2.371308166e+00 1.359413118e+01 1.76 -1.023727180e-01 -2.544351324e+00 1.174888114e+01 1.78 -2.869312560e-01 -2.695195276e+00 1.011286584e+01 1.80 -4.450409016e-01 -2.826615835e+00 8.661289167e+00 1.82 -5.806829490e-01 -2.941013364e+00 7.372190098e+00 1.84 -6.972568272e-01 -3.040458520e+00 6.226177368e+00 1.86 -7.976555235e-01 -3.126732922e+00 5.206173556e+00 1.88 -8.843325317e-01 -3.201365227e+00 4.297172615e+00 1.90 -9.593609631e-01 -3.265662976e+00 3.486014460e+00 1.92 -1.024485838e+00 -3.320740758e+00 2.761176953e+00 1.94 -1.081170342e+00 -3.367545087e+00 2.112585831e+00 1.96 -1.130637000e+00 -3.406876320e+00 1.531442668e+00 1.98 -1.173904767e+00 -3.439408023e+00 1.010069690e+00 2.00 -1.211822442e+00 -3.465704055e+00 5.417709429e-01 2.02 -1.245100459e+00 -3.486233635e+00 1.207087337e-01 2.04 -1.274342133e+00 -3.501388153e+00 -2.582060834e-01 2.06 -1.300075434e+00 -3.511515029e+00 -5.994108181e-01 2.08 -1.322786422e+00 -3.516938222e+00 -9.067750872e-01 2.10 -1.342956572e+00 -3.517960964e+00 -1.183674898e+00 2.12 -1.361118286e+00 -3.514867478e+00 -1.433059688e+00 2.14 -1.377909647e+00 -3.507924619e+00 -1.657509243e+00 2.16 -1.394110386e+00 -3.497383438e+00 -1.859282994e+00 2.18 -1.410674985e+00 -3.483480657e+00 -2.040362865e+00 2.20 -1.428761168e+00 -3.466440049e+00 -2.202490879e+00 2.22 -1.449748209e+00 -3.446473714e+00 -2.347202976e+00 2.24 -1.475237204e+00 -3.423783248e+00 -2.475861721e+00 2.26 -1.507022154e+00 -3.398560795e+00 -2.589693393e+00 2.28 -1.547016288e+00 -3.370989970e+00 -2.689847232e+00 2.30 -1.597113015e+00 -3.341246660e+00 -2.777518150e+00 2.32 -1.658957482e+00 -3.309499698e+00 -2.854134696e+00 2.34 -1.733608348e+00 -3.275911408e+00 -2.921683736e+00 2.36 -1.821090671e+00 -3.240638025e+00 -2.983157063e+00 2.38 -1.919893818e+00 -3.203830010e+00 -3.042087878e+00 2.40 -2.026561081e+00 -3.165632244e+00 -3.094847986e+00 2.42 -2.135625040e+00 -3.126184148e+00 -3.096680116e+00 2.44 -2.240173058e+00 -3.085619711e+00 -2.923009478e+00 2.46 -2.333139933e+00 -3.044067470e+00 -2.518679710e+00 2.48 -2.408981001e+00 -3.001650435e+00 -2.074580113e+00 2.50 -2.464955234e+00 -2.958485995e+00 -1.767465194e+00 2.52 -2.501329294e+00 -2.914685615e+00 -1.603474299e+00 2.54 -2.520497346e+00 -2.870354222e+00 -1.526343877e+00 2.56 -2.525688315e+00 -2.825590835e+00 -1.491198565e+00 2.58 -2.519977455e+00 -2.780488716e+00 -1.473796920e+00 2.60 -2.505858596e+00 -2.735135327e+00 -1.462987197e+00 2.62 -2.485224064e+00 -2.689612355e+00 -1.454096037e+00 2.64 -2.459505042e+00 -2.643995766e+00 -1.445306062e+00 2.66 -2.429812986e+00 -2.598355920e+00 -1.435969177e+00 2.68 -2.397031854e+00 -2.552757730e+00 -1.425888106e+00 2.70 -2.361874359e+00 -2.507260861e+00 -1.415029567e+00 2.72 -2.324915750e+00 -2.461919961e+00 -1.403416159e+00 2.74 -2.286617264e+00 -2.416784927e+00 -1.391087855e+00 2.76 -2.247345373e+00 -2.371901178e+00 -1.378088693e+00 2.78 -2.207388956e+00 -2.327309949e+00 -1.364461678e+00 2.80 -2.166974724e+00 -2.283048583e+00 -1.350248974e+00 2.82 -2.126280724e+00 -2.239150822e+00 -1.335491932e+00 2.84 -2.085447707e+00 -2.195647085e+00 -1.320230948e+00 2.86 -2.044588342e+00 -2.152564730e+00 -1.304505382e+00 2.88 -2.003794402e+00 -2.109928310e+00 -1.288353514e+00 2.90 -1.963142154e+00 -2.067759796e+00 -1.271812493e+00 2.92 -1.922696261e+00 -2.026078791e+00 -1.254918313e+00 2.94 -1.882512503e+00 -1.984902713e+00 -1.237705784e+00 2.96 -1.842639635e+00 -1.944246978e+00 -1.220208519e+00 2.98 -1.803120622e+00 -1.904125141e+00 -1.202458916e+00 3.00 -1.763993482e+00 -1.864549048e+00 -1.184488157e+00 3.02 -1.725291868e+00 -1.825528954e+00 -1.166326206e+00 3.04 -1.687045506e+00 -1.787073640e+00 -1.148001810e+00 3.06 -1.649280549e+00 -1.749190518e+00 -1.129542508e+00 3.08 -1.612019870e+00 -1.711885726e+00 -1.110974640e+00 3.10 -1.575283337e+00 -1.675164219e+00 -1.092323363e+00 3.12 -1.539088051e+00 -1.639029848e+00 -1.073612668e+00 3.14 -1.503448577e+00 -1.603485442e+00 -1.054865394e+00 3.16 -1.468377151e+00 -1.568532873e+00 -1.036103255e+00 3.18 -1.433883870e+00 -1.534173132e+00 -1.017346860e+00 3.20 -1.399976877e+00 -1.500406384e+00 -9.986157346e-01 3.22 -1.366662524e+00 -1.467232035e+00 -9.799283536e-01 3.24 -1.333945528e+00 -1.434648781e+00 -9.613021616e-01 3.26 -1.301829111e+00 -1.402654669e+00 -9.427536031e-01 3.28 -1.270315136e+00 -1.371247138e+00 -9.242981509e-01 3.30 -1.239404227e+00 -1.340423075e+00 -9.059503342e-01 3.32 -1.209095882e+00 -1.310178851e+00 -8.877237688e-01 3.34 -1.179388581e+00 -1.280510368e+00 -8.696311856e-01 3.36 -1.150279879e+00 -1.251413098e+00 -8.516844614e-01 3.38 -1.121766499e+00 -1.222882117e+00 -8.338946475e-01 3.40 -1.093844413e+00 -1.194912145e+00 -8.162720002e-01 3.42 -1.066508919e+00 -1.167497573e+00 -7.988260097e-01 3.44 -1.039754712e+00 -1.140632500e+00 -7.815654295e-01 3.46 -1.013575948e+00 -1.114310759e+00 -7.644983051e-01 3.48 -9.879663053e-01 -1.088525943e+00 -7.476320031e-01 3.50 -9.629190411e-01 -1.063271436e+00 -7.309732383e-01 3.52 -9.384270395e-01 -1.038540433e+00 -7.145281024e-01 3.54 -9.144828604e-01 -1.014325962e+00 -6.983020903e-01 3.56 -8.910787826e-01 -9.906209099e-01 -6.823001267e-01 3.58 -8.682068430e-01 -9.674180378e-01 -6.665265927e-01 3.60 -8.458588732e-01 -9.447100017e-01 -6.509853502e-01 3.62 -8.240265332e-01 -9.224893696e-01 -6.356797674e-01 3.64 -8.027013417e-01 -9.007486372e-01 -6.206127424e-01 3.66 -7.818747043e-01 -8.794802436e-01 -6.057867268e-01 3.68 -7.615379391e-01 -8.586765849e-01 -5.912037483e-01 3.70 -7.416823003e-01 -8.383300276e-01 -5.768654329e-01 3.72 -7.222989992e-01 -8.184329207e-01 -5.627730260e-01 3.74 -7.033792241e-01 -7.989776070e-01 -5.489274134e-01 3.76 -6.849141578e-01 -7.799564337e-01 -5.353291414e-01 3.78 -6.668949933e-01 -7.613617621e-01 -5.219784354e-01 3.80 -6.493129490e-01 -7.431859766e-01 -5.088752196e-01 3.82 -6.321592816e-01 -7.254214934e-01 -4.960191341e-01 3.84 -6.154252977e-01 -7.080607677e-01 -4.834095527e-01 3.86 -5.991023647e-01 -6.910963011e-01 -4.710455994e-01 3.88 -5.831819205e-01 -6.745206481e-01 -4.589261647e-01 3.90 -5.676554819e-01 -6.583264223e-01 -4.470499204e-01 3.92 -5.525146521e-01 -6.425063011e-01 -4.354153351e-01 3.94 -5.377511277e-01 -6.270530314e-01 -4.240206880e-01 3.96 -5.233567047e-01 -6.119594338e-01 -4.128640825e-01 3.98 -5.093232833e-01 -5.972184064e-01 -4.019434594e-01 4.00 -4.956428731e-01 -5.828229287e-01 -3.912566090e-01 4.02 -4.823075964e-01 -5.687660642e-01 -3.808011833e-01 4.04 -4.693096921e-01 -5.550409636e-01 -3.705747074e-01 4.06 -4.566415183e-01 -5.416408669e-01 -3.605745901e-01 4.08 -4.442955547e-01 -5.285591053e-01 -3.507981343e-01 4.10 -4.322644046e-01 -5.157891024e-01 -3.412425469e-01 4.12 -4.205407964e-01 -5.033243762e-01 -3.319049484e-01 4.14 -4.091175848e-01 -4.911585389e-01 -3.227823812e-01 4.16 -3.979877516e-01 -4.792852982e-01 -3.138718186e-01 4.18 -3.871444063e-01 -4.676984571e-01 -3.051701727e-01 4.20 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