# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cr-Ni-Co-W # implementation = 2025--Sharifi-H--Cr-Ni-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 Ni Ni W W Ni W Cr W Cr Ni Co Co Co W Co Ni Cr Cr Co Cr 0.02 4.627988409e+05 3.088961997e+06 1.197700222e+06 4.485249202e+04 1.883190819e+04 4.307816124e+05 1.152475228e+06 4.464903951e+05 6.540873203e+02 1.801675345e+04 0.04 1.934542832e+05 1.248039057e+06 4.932375292e+05 1.913870705e+04 8.925868524e+03 1.801701080e+05 4.731212113e+05 1.866816852e+05 2.974270961e+02 8.470930373e+03 0.06 1.101353242e+05 6.913673195e+05 2.777101551e+05 1.107972714e+04 5.731846993e+03 1.025931362e+05 2.653209800e+05 1.062855355e+05 1.817366538e+02 5.397659787e+03 0.08 7.150221648e+04 4.383041981e+05 1.787151328e+05 7.297906580e+03 4.178530392e+03 6.660242451e+04 1.699324924e+05 6.899759075e+04 1.255085055e+02 3.906526253e+03 0.10 5.001136161e+04 2.999739560e+05 1.240870203e+05 5.171598129e+03 3.267807762e+03 4.657294020e+04 1.173469065e+05 4.825083160e+04 9.282445045e+01 3.034928304e+03 0.12 3.671185755e+04 2.157694227e+05 9.052256942e+04 3.842842652e+03 2.671031210e+03 3.417377209e+04 8.508214304e+04 3.540990821e+04 7.175739755e+01 2.465872126e+03 0.14 2.788203775e+04 1.607687646e+05 6.838844966e+04 2.952391616e+03 2.249597478e+03 2.593965471e+04 6.384290842e+04 2.688364111e+04 5.722441042e+01 2.065656186e+03 0.16 2.172048195e+04 1.230150501e+05 5.304362077e+04 2.325270555e+03 1.935483502e+03 2.019271284e+04 4.915060444e+04 2.093348031e+04 4.670291143e+01 1.768660962e+03 0.18 1.725883939e+04 9.612678154e+04 4.200258344e+04 1.866936104e+03 1.691647604e+03 1.603076639e+04 3.860664732e+04 1.662474692e+04 3.880451606e+01 1.539156312e+03 0.20 1.393465691e+04 7.642158391e+04 3.382627309e+04 1.522239672e+03 1.496308988e+03 1.292968224e+04 3.082231772e+04 1.341448688e+04 3.270530857e+01 1.356137149e+03 0.22 1.140112974e+04 6.164460154e+04 2.763015338e+04 1.257049317e+03 1.335871633e+03 1.056621973e+04 2.494407377e+04 1.096788573e+04 2.788735627e+01 1.206496641e+03 0.24 9.434101450e+03 5.034996340e+04 2.284448165e+04 1.049222950e+03 1.201431232e+03 8.731410747e+03 2.042219025e+04 9.068515282e+03 2.400993348e+01 1.081655663e+03 0.26 7.883078369e+03 4.157591708e+04 1.908827210e+04 8.838362347e+02 1.086920031e+03 7.284927075e+03 1.688911921e+04 7.571054211e+03 2.084044988e+01 9.757724530e+02 0.28 6.643823836e+03 3.466336670e+04 1.609885518e+04 7.505060103e+02 9.880622196e+02 6.129547928e+03 1.409150591e+04 6.374835591e+03 1.821516468e+01 8.847343690e+02 0.30 5.642257180e+03 2.914939278e+04 1.369051672e+04 6.418153599e+02 9.017573199e+02 5.196158670e+03 1.185027019e+04 5.408305479e+03 1.601577310e+01 8.055626951e+02 0.32 4.824576857e+03 2.470204377e+04 1.172913952e+04 5.523466365e+02 8.257006806e+02 4.434548282e+03 1.003613206e+04 4.619489200e+03 1.415486872e+01 7.360462963e+02 0.34 4.150981824e+03 2.107899798e+04 1.011609708e+04 4.780663980e+02 7.581416171e+02 3.807559190e+03 8.554066573e+03 3.969930742e+03 1.256660780e+01 6.745081504e+02 0.36 3.591559458e+03 1.810060197e+04 8.777719962e+03 4.159223169e+02 6.977246527e+02 3.287255585e+03 7.333136783e+03 3.430723358e+03 1.120054293e+01 6.196521016e+02 0.38 3.123516198e+03 1.563181665e+04 7.658216872e+03 3.635714374e+02 6.433823187e+02 2.852342662e+03 6.319660802e+03 2.979836167e+03 1.001743918e+01 5.704593938e+02 0.40 2.729270784e+03 1.356987684e+04 6.714814703e+03 3.191927789e+02 5.942610891e+02 2.486389463e+03 5.472520398e+03 2.600273337e+03 8.986373767e+00 5.261171945e+02 0.42 2.395115433e+03 1.183570090e+04 5.914358474e+03 2.813554607e+02 5.496691341e+02 2.176580828e+03 4.759878569e+03 2.278781448e+03 8.082685975e+00 4.859681828e+02 0.44 2.110257711e+03 1.036780348e+04 5.230888478e+03 2.489240386e+02 5.090386968e+02 1.912824018e+03 4.156840327e+03 2.004924298e+03 7.286499636e+00 4.494742569e+02 0.46 1.866125251e+03 9.117925870e+03 4.643890651e+03 2.209895530e+02 4.718985763e+02 1.687100247e+03 3.643763325e+03 1.770411442e+03 6.581642675e+00 4.161899967e+02 0.48 1.655854062e+03 8.047856858e+03 4.137015698e+03 1.968185554e+02 4.378536798e+02 1.492987289e+03 3.205021008e+03 1.568603939e+03 5.954845050e+00 3.857429507e+02 0.50 1.473906825e+03 7.127090008e+03 3.697129074e+03 1.758148892e+02 4.065695933e+02 1.325303243e+03 2.828085204e+03 1.394145604e+03 5.395134479e+00 3.578187666e+02 0.52 1.315785606e+03 6.331081970e+03 3.313600144e+03 1.574907603e+02 3.777608132e+02 1.179838313e+03 2.502839661e+03 1.242685424e+03 4.893376521e+00 3.321498548e+02 0.54 1.177813160e+03 5.639943132e+03 2.977764318e+03 1.414445789e+02 3.511816515e+02 1.053150549e+03 2.221060640e+03 1.110666193e+03 4.441920000e+00 3.085066324e+02 0.56 1.056964878e+03 5.037444034e+03 2.682512291e+03 1.273438211e+02 3.266191289e+02 9.424088246e+02 1.976020271e+03 9.951620747e+02 4.034320609e+00 2.866906836e+02 0.58 9.507388162e+02 4.510256232e+03 2.421974262e+03 1.149116829e+02 3.038873755e+02 8.452713503e+02 1.762181652e+03 8.937529417e+02 3.665123775e+00 2.665293763e+02 0.60 8.570541847e+02 4.047366509e+03 2.191274788e+03 1.039165845e+02 2.828231693e+02 7.597907505e+02 1.574962203e+03 8.044270596e+02 3.329692099e+00 2.478715748e+02 0.62 7.741715794e+02 3.639621799e+03 1.986341260e+03 9.416386195e+01 2.632823540e+02 6.843394404e+02 1.410548806e+03 7.248871477e+02 3.024067164e+00 2.305841998e+02 0.64 7.006299394e+02 3.279373488e+03 1.803753370e+03 8.548915488e+01 2.451369410e+02 6.175506291e+02 1.265752579e+03 6.528564978e+02 2.744858108e+00 2.145494498e+02 0.66 6.351963020e+02 2.960196858e+03 1.640623783e+03 7.775309746e+01 2.282727432e+02 5.582712803e+02 1.137893783e+03 5.877720766e+02 2.489150853e+00 1.996625331e+02 0.68 5.768256025e+02 2.676668799e+03 1.494503127e+03 7.083704091e+01 2.125874318e+02 5.055244638e+02 1.024710246e+03 5.290772155e+02 2.254433789e+00 1.858298086e+02 0.70 5.246283262e+02 2.424190553e+03 1.363303901e+03 6.463958730e+01 1.979889298e+02 4.584790508e+02 9.242840513e+02 4.762075722e+02 2.038536539e+00 1.729672495e+02 0.72 4.778442944e+02 2.198845260e+03 1.245239060e+03 5.907376121e+01 1.843940719e+02 4.164251474e+02 8.349824241e+02 4.286160930e+02 1.839579037e+00 1.609991654e+02 0.74 4.358213702e+02 1.997283124e+03 1.138772326e+03 5.406469715e+01 1.717274838e+02 3.787541340e+02 7.554099345e+02 3.857872331e+02 1.655929091e+00 1.498571332e+02 0.76 3.979980540e+02 1.816628175e+03 1.042577700e+03 4.954773718e+01 1.599206367e+02 3.449423452e+02 6.843695964e+02 3.472441510e+02 1.486166743e+00 1.394790982e+02 0.78 3.638891798e+02 1.654402130e+03 9.555062899e+02 4.546685796e+01 1.489110449e+02 3.145376557e+02 6.208310295e+02 3.125513818e+02 1.329054155e+00 1.298086120e+02 0.80 3.330741409e+02 1.508462034e+03 8.765590646e+02 4.177336838e+01 1.386415838e+02 2.871484355e+02 5.639043447e+02 2.813147154e+02 1.183510127e+00 1.208265599e+02 0.82 3.051871291e+02 1.376948825e+03 8.048643162e+02 3.842482404e+01 1.290599029e+02 2.624343921e+02 5.128185699e+02 2.531794044e+02 1.048588357e+00 1.126616799e+02 0.84 2.799090185e+02 1.258244725e+03 7.396589433e+02 3.538411987e+01 1.201179222e+02 2.400989552e+02 4.669037672e+02 2.278274597e+02 9.234588482e-01 1.050851859e+02 0.86 2.569606004e+02 1.150937851e+03 6.802728669e+02 3.261873024e+01 1.117713948e+02 2.198829288e+02 4.255761667e+02 2.049745335e+02 8.073919681e-01 9.790368441e+01 0.88 2.360969052e+02 1.053792600e+03 6.261159591e+02 3.010006834e+01 1.039795277e+02 2.015591625e+02 3.883257238e+02 1.843666853e+02 6.997446877e-01 9.101063675e+01 0.90 2.171024320e+02 9.657248253e+02 5.766670606e+02 2.780294561e+01 9.670464884e+01 1.849280744e+02 3.547056868e+02 1.657772291e+02 5.999487002e-01 8.435624082e+01 0.92 1.997871246e+02 8.857809413e+02 5.314647161e+02 2.570511424e+01 8.991191640e+01 1.698138758e+02 3.243238176e+02 1.490037725e+02 5.075001336e-01 7.792592334e+01 0.94 1.839829582e+02 8.131202281e+02 4.900993097e+02 2.378687766e+01 8.356906165e+01 1.560613679e+02 2.968349587e+02 1.338654924e+02 4.219505962e-01 7.172534972e+01 0.96 1.695410437e+02 7.469998374e+02 4.522063862e+02 2.203075906e+01 7.764616162e+01 1.435332248e+02 2.719347373e+02 1.202006787e+02 3.428993955e-01 6.577023353e+01 0.98 1.563291582e+02 6.867620225e+02 4.174609484e+02 2.042121801e+01 7.211543722e+01 1.321076774e+02 2.493542069e+02 1.078645429e+02 2.699867544e-01 6.007962493e+01 1.00 1.442296309e+02 6.318232145e+02 3.855725663e+02 1.894440719e+01 6.695107300e+01 1.216765299e+02 2.288552658e+02 9.672727434e+01 2.028878801e-01 5.467170122e+01 1.02 1.331250128e+02 5.816646774e+02 3.562876432e+02 1.758796370e+01 6.212905607e+01 1.121434630e+02 2.102003863e+02 8.667233378e+01 1.413077949e-01 4.956132243e+01 1.04 1.227064231e+02 5.358244648e+02 3.283156902e+02 1.634360372e+01 5.762703133e+01 1.034225496e+02 1.922032342e+02 7.759495385e+01 8.497681174e-02 4.475880730e+01 1.06 1.128558849e+02 4.938904843e+02 3.004017210e+02 1.675577843e+01 5.342417106e+01 9.530980908e+01 1.745874948e+02 6.940082651e+01 3.603504935e-02 4.026953014e+01 1.08 1.035530988e+02 4.554945108e+02 2.732054563e+02 1.958818011e+01 4.950105725e+01 8.715041994e+01 1.576780621e+02 6.200495709e+01 8.954065071e-02 3.609404461e+01 1.10 9.478192872e+01 4.203069887e+02 2.471991610e+02 2.372810205e+01 4.583957474e+01 7.907839665e+01 1.416868741e+02 5.533065970e+01 2.495766069e-01 3.222852843e+01 1.12 8.652852875e+01 3.880325189e+02 2.226866030e+02 2.838768668e+01 4.242281437e+01 7.127829029e+01 1.267423765e+02 4.930867804e+01 4.637947808e-01 2.866539974e+01 1.14 7.878000427e+01 3.584059321e+02 1.998447289e+02 3.302535647e+01 3.923498462e+01 6.387210674e+01 1.129106171e+02 4.387641495e+01 6.957144645e-01 2.539400398e+01 1.16 7.152347279e+01 3.311888540e+02 1.787563262e+02 3.728545571e+01 3.626121929e+01 5.693485110e+01 1.002116993e+02 3.897725315e+01 9.206616895e-01 2.240130526e+01 1.18 6.474544683e+01 3.061667066e+02 1.594354606e+02 4.095089580e+01 3.355976348e+01 5.050670284e+01 8.863254156e+01 3.455995731e+01 1.122801048e+00 1.967253762e+01 1.20 5.843146989e+01 2.831460781e+02 1.418472066e+02 4.390616693e+01 3.115966972e+01 4.460243868e+01 7.813673354e+01 3.057814501e+01 1.292822975e+00 1.719179227e+01 1.22 5.256594699e+01 2.619524110e+02 1.259228501e+02 4.610864239e+01 2.898517492e+01 3.921868632e+01 6.867210071e+01 2.698981631e+01 1.426151944e+00 1.494252811e+01 1.24 4.713211923e+01 2.424279709e+02 1.115714962e+02 4.756651980e+01 2.698062983e+01 3.433946678e+01 6.017645887e+01 2.375693575e+01 1.521570680e+00 1.290800105e+01 1.26 4.211214161e+01 2.244300549e+02 9.868885721e+01 4.832200086e+01 2.510635044e+01 2.994040276e+01 5.258195409e+01 2.084505833e+01 1.580170272e+00 1.107161440e+01 1.28 3.748723073e+01 2.078305263e+02 8.716381595e+01 4.843862703e+01 2.333481168e+01 2.599188080e+01 4.581829108e+01 1.822299399e+01 1.604552585e+00 9.417195243e+00 1.30 3.323785540e+01 1.919238032e+02 7.688325079e+01 4.799188175e+01 2.164760155e+01 2.246139952e+01 3.981509600e+01 1.586250651e+01 1.598235746e+00 7.929204265e+00 1.32 2.934394994e+01 1.759334068e+02 6.773550889e+01 4.706233931e+01 2.003300189e+01 1.931528857e+01 3.450360708e+01 1.373804131e+01 1.565216795e+00 6.592887376e+00 1.34 2.578513409e+01 1.602662105e+02 5.961283122e+01 4.573079668e+01 1.848408929e+01 1.651994089e+01 2.981784578e+01 1.182647953e+01 1.509656407e+00 5.394377506e+00 1.36 2.254092813e+01 1.452189403e+02 5.241297557e+01 4.407492670e+01 1.699726087e+01 1.404267358e+01 2.569539140e+01 1.010691554e+01 1.435657341e+00 4.320755133e+00 1.38 1.959095496e+01 1.309857738e+02 4.604022697e+01 4.216709294e+01 1.557110507e+01 1.185230548e+01 2.207785220e+01 8.560454247e+00 1.347114597e+00 3.360074912e+00 1.40 1.691512357e+01 1.176833735e+02 4.040594938e+01 4.007303710e+01 1.420555210e+01 9.919522037e+00 1.891111019e+01 7.170027281e+00 1.247619742e+00 2.501365658e+00 1.42 1.449379077e+01 1.053705770e+02 3.542879762e+01 3.785121217e+01 1.290124733e+01 8.217081914e+00 1.614539780e+01 5.920225463e+00 1.140404641e+00 1.734609741e+00 1.44 1.230789933e+01 9.406380850e+01 3.103468047e+01 3.555258690e+01 1.165910168e+01 6.719906842e+00 1.373525114e+01 4.797145861e+00 1.028310808e+00 1.050707000e+00 1.46 1.033909233e+01 8.374905855e+01 2.715655073e+01 3.322077986e+01 1.047998081e+01 5.405088406e+00 1.163937767e+01 3.788252604e+00 9.137902971e-01 4.414279573e-01 1.48 8.569804248e+00 7.439114680e+01 2.373407534e+01 3.089241987e+01 9.364501390e+00 4.251835952e+00 9.820463881e+00 2.882249682e+00 7.989196848e-01 -1.006402211e-01 1.50 6.983329915e+00 6.594081913e+01 2.071322872e+01 2.859765168e+01 8.312909208e+00 3.241384692e+00 8.244944606e+00 2.068964758e+00 6.854210409e-01 -5.821519747e-01 1.52 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