# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cr-Ni-Al # implementation = 2025--Sharifi-H--Cr-Ni-Al--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 Al Ni Al Cr Al Al Cr Cr Cr Ni 0.02 4.627988409e+05 2.180539151e+05 8.200048867e+03 1.028140289e+05 6.540873203e+02 1.883190819e+04 0.04 1.934542832e+05 9.218002921e+04 3.615093586e+03 4.400192354e+04 2.974270961e+02 8.925868524e+03 0.06 1.101353242e+05 5.295346302e+04 2.150968855e+03 2.553665024e+04 1.817366538e+02 5.731846993e+03 0.08 7.150221648e+04 3.464310948e+04 1.451163925e+03 1.685684394e+04 1.255085055e+02 4.178530392e+03 0.10 5.001136161e+04 2.439722132e+04 1.050974036e+03 1.196920789e+04 9.282445045e+01 3.267807762e+03 0.12 3.671185755e+04 1.802244446e+04 7.969665067e+02 8.910587048e+03 7.175739755e+01 2.671031210e+03 0.14 2.788203775e+04 1.376831686e+04 6.242430482e+02 6.858160167e+03 5.722441042e+01 2.249597478e+03 0.16 2.172048195e+04 1.078464320e+04 5.008738466e+02 5.410802380e+03 4.670291143e+01 1.935483502e+03 0.18 1.725883939e+04 8.613121938e+03 4.094456364e+02 4.351605415e+03 3.880451606e+01 1.691647604e+03 0.20 1.393465691e+04 6.986938923e+03 3.397184205e+02 3.553960781e+03 3.270530857e+01 1.496308988e+03 0.22 1.140112974e+04 5.741236603e+03 2.853104657e+02 2.939466088e+03 2.788735627e+01 1.335871633e+03 0.24 9.434101450e+03 4.769236383e+03 2.420567376e+02 2.457234689e+03 2.400993348e+01 1.201431232e+03 0.26 7.883078369e+03 3.999083741e+03 2.071343696e+02 2.072950668e+03 2.084044988e+01 1.086920031e+03 0.28 6.643823836e+03 3.380878118e+03 1.785688338e+02 1.762727048e+03 1.821516468e+01 9.880622196e+02 0.30 5.642257180e+03 2.879047599e+03 1.549417593e+02 1.509490653e+03 1.601577310e+01 9.017573199e+02 0.32 4.824576857e+03 2.467669486e+03 1.352107840e+02 1.300762017e+03 1.415486872e+01 8.257006806e+02 0.34 4.150981824e+03 2.127494703e+03 1.185946205e+02 1.127243071e+03 1.256660780e+01 7.581416171e+02 0.36 3.591559458e+03 1.843998150e+03 1.044975804e+02 9.818915000e+02 1.120054293e+01 6.977246527e+02 0.38 3.123516198e+03 1.606064736e+03 9.245862238e+01 8.592966724e+02 1.001743918e+01 6.433823187e+02 0.40 2.729270784e+03 1.405083694e+03 8.211617752e+01 7.552492328e+02 8.986373767e+00 5.942610891e+02 0.42 2.395115433e+03 1.234311691e+03 7.318337218e+01 6.664381665e+02 8.082685975e+00 5.496691341e+02 0.44 2.110257711e+03 1.088416126e+03 6.543021811e+01 5.902332895e+02 7.286499636e+00 5.090386968e+02 0.46 1.866125251e+03 9.631429231e+02 5.867061687e+01 5.245267649e+02 6.581642675e+00 4.718985763e+02 0.48 1.655854062e+03 8.550713517e+02 5.275272922e+01 4.676158915e+02 5.954845050e+00 4.378536798e+02 0.50 1.473906825e+03 7.614305532e+02 4.755173052e+01 4.181151742e+02 5.395134479e+00 4.065695933e+02 0.52 1.315785606e+03 6.799609758e+02 4.296430473e+01 3.748897255e+02 4.893376521e+00 3.777608132e+02 0.54 1.177813160e+03 6.088085015e+02 3.890440640e+01 3.370042203e+02 4.441920000e+00 3.511816515e+02 0.56 1.056964878e+03 5.464427766e+02 3.529996359e+01 3.036833835e+02 4.034320609e+00 3.266191289e+02 0.58 9.507388162e+02 4.915937954e+02 3.209029364e+01 2.742811966e+02 3.665123775e+00 3.038873755e+02 0.60 8.570541847e+02 4.432021711e+02 2.922405590e+01 2.482566582e+02 3.329692099e+00 2.828231693e+02 0.62 7.741715794e+02 4.003798939e+02 2.665761808e+01 2.251545792e+02 3.024067164e+00 2.632823540e+02 0.64 7.006299394e+02 3.623791941e+02 2.435374507e+01 2.045902836e+02 2.744858108e+00 2.451369410e+02 0.66 6.351963020e+02 3.285676223e+02 2.228053650e+01 1.862373133e+02 2.489150853e+00 2.282727432e+02 0.68 5.768256025e+02 2.984080339e+02 2.041056257e+01 1.698175110e+02 2.254433789e+00 2.125874318e+02 0.70 5.246283262e+02 2.714424199e+02 1.872015694e+01 1.550929773e+02 2.038536539e+00 1.979889298e+02 0.72 4.778442944e+02 2.472787549e+02 1.718883374e+01 1.418595005e+02 1.839579037e+00 1.843940719e+02 0.74 4.358213702e+02 2.255802750e+02 1.579880606e+01 1.299411797e+02 1.655929091e+00 1.717274838e+02 0.76 3.979980540e+02 2.060566844e+02 1.453458561e+01 1.191859969e+02 1.486166743e+00 1.599206367e+02 0.78 3.638891798e+02 1.884569047e+02 1.338256160e+01 1.094621533e+02 1.329054155e+00 1.489110449e+02 0.80 3.330741409e+02 1.725630888e+02 1.228232248e+01 1.006550318e+02 1.183510127e+00 1.386415838e+02 0.82 3.051871291e+02 1.581860271e+02 1.110424424e+01 9.266466413e+01 1.048588357e+00 1.290599029e+02 0.84 2.799090185e+02 1.448717096e+02 9.891264337e+00 8.540361118e+01 9.234588482e-01 1.201179222e+02 0.86 2.569606004e+02 1.320151506e+02 8.685169431e+00 7.879518652e+01 8.073919681e-01 1.117713948e+02 0.88 2.360969052e+02 1.198039778e+02 7.516558469e+00 7.277195764e+01 6.997446877e-01 1.039795277e+02 0.90 2.171024320e+02 1.083697621e+02 6.407034532e+00 6.727448037e+01 5.999487002e-01 9.670464884e+01 0.92 1.997871246e+02 9.777889404e+01 5.371031318e+00 6.225022684e+01 5.075001336e-01 8.991191640e+01 0.94 1.839829582e+02 8.805171644e+01 4.417331670e+00 5.765267227e+01 4.219505962e-01 8.356906165e+01 0.96 1.695410437e+02 7.917681962e+01 3.550321748e+00 5.344048899e+01 3.428993955e-01 7.764616162e+01 0.98 1.563291582e+02 7.112166112e+01 2.771023154e+00 4.956436999e+01 2.699867544e-01 7.211543722e+01 1.00 1.442296309e+02 6.384038378e+01 2.077937483e+00 4.596041709e+01 2.028878801e-01 6.695107300e+01 1.02 1.331250128e+02 5.727950189e+01 1.467731788e+00 4.261633517e+01 1.413077949e-01 6.212905607e+01 1.04 1.227064231e+02 5.138198046e+01 9.357914700e-01 3.952021508e+01 8.497681174e-02 5.762703133e+01 1.06 1.128558849e+02 4.609010119e+01 4.766616587e-01 3.665791631e+01 3.603504935e-02 5.342417106e+01 1.08 1.035530988e+02 4.134742215e+01 8.439561777e-02 3.401414415e+01 8.954065071e-02 4.950105725e+01 1.10 9.478192872e+01 3.710006444e+01 -2.471737450e-01 3.157322160e+01 2.495766069e-01 4.583957474e+01 1.12 8.652852875e+01 3.329750343e+01 -5.242261419e-01 2.931962957e+01 4.637947808e-01 4.242281437e+01 1.14 7.878000427e+01 2.989300172e+01 -7.527983105e-01 2.723837337e+01 6.957144645e-01 3.923498462e+01 1.16 7.152347279e+01 2.684378437e+01 -9.386710499e-01 2.531521915e+01 9.206616895e-01 3.626121929e+01 1.18 6.474544683e+01 2.411103580e+01 -1.087290673e+00 2.353683447e+01 1.122801048e+00 3.355976348e+01 1.20 5.843146989e+01 2.165977552e+01 -1.203717988e+00 2.189085907e+01 1.292822975e+00 3.115966972e+01 1.22 5.256594699e+01 1.945865485e+01 -1.292599228e+00 2.036592532e+01 1.426151944e+00 2.898517492e+01 1.24 4.713211923e+01 1.747970796e+01 -1.358153945e+00 1.895164386e+01 1.521570680e+00 2.698062983e+01 1.26 4.211214161e+01 1.569807859e+01 -1.404176042e+00 1.763856548e+01 1.580170272e+00 2.510635044e+01 1.28 3.748723073e+01 1.409173906e+01 -1.434044691e+00 1.641812772e+01 1.604552585e+00 2.333481168e+01 1.30 3.323785540e+01 1.264121349e+01 -1.450742309e+00 1.528259287e+01 1.598235746e+00 2.164760155e+01 1.32 2.934394994e+01 1.132931143e+01 -1.456877611e+00 1.422498140e+01 1.565216795e+00 2.003300189e+01 1.34 2.578513409e+01 1.014087775e+01 -1.454711890e+00 1.323900452e+01 1.509656407e+00 1.848408929e+01 1.36 2.254092813e+01 9.062561330e+00 -1.446187085e+00 1.231899820e+01 1.435657341e+00 1.699726087e+01 1.38 1.959095496e+01 8.082602913e+00 -1.432954708e+00 1.145985982e+01 1.347114597e+00 1.557110507e+01 1.40 1.691512357e+01 7.190643399e+00 -1.416404616e+00 1.065698888e+01 1.247619742e+00 1.420555210e+01 1.42 1.449379077e+01 6.377551369e+00 -1.397693073e+00 9.906232158e+00 1.140404641e+00 1.290124733e+01 1.44 1.230789933e+01 5.635268788e+00 -1.377769675e+00 9.203833482e+00 1.028310808e+00 1.165910168e+01 1.46 1.033909233e+01 4.956673608e+00 -1.357402717e+00 8.546388034e+00 9.137902971e-01 1.047998081e+01 1.48 8.569804248e+00 4.335458425e+00 -1.337202849e+00 7.930801617e+00 7.989196848e-01 9.364501390e+00 1.50 6.983329915e+00 3.766024066e+00 -1.317644851e+00 7.354254837e+00 6.854210409e-01 8.312909208e+00 1.52 5.563873368e+00 3.243385523e+00 -1.299087490e+00 6.814171068e+00 5.746890450e-01 7.325018073e+00 1.54 4.296578166e+00 2.763089309e+00 -1.281791509e+00 6.308188170e+00 4.678216929e-01 6.400193250e+00 1.56 3.167541537e+00 2.321141379e+00 -1.265935724e+00 5.834133729e+00 3.656524822e-01 5.537366101e+00 1.58 2.163814621e+00 1.913944631e+00 -1.251631324e+00 5.390003498e+00 2.687826353e-01 4.735069594e+00 1.60 1.273390540e+00 1.538244990e+00 -1.238934477e+00 4.973942613e+00 1.776124476e-01 3.991486960e+00 1.62 4.851827098e-01 1.191085576e+00 -1.227857345e+00 4.584229366e+00 9.237096793e-02 3.304507205e+00 1.64 -2.110048446e-01 8.697682599e-01 -1.218377615e+00 4.219261192e+00 1.314551209e-02 2.671783098e+00 1.66 -8.245136511e-01 5.718220805e-01 -1.210446697e+00 3.877542563e+00 -6.008779955e-02 2.090788485e+00 1.68 -1.363871482e+00 2.949781782e-01 -1.203996687e+00 3.557674605e+00 -1.274486061e-01 1.558872488e+00 1.70 -1.836836508e+00 3.715070887e-02 -1.198946230e+00 3.258346158e+00 -1.891338778e-01 1.073309292e+00 1.72 -2.250443662e+00 -2.035766768e-01 -1.195205403e+00 2.978326078e+00 -2.453993303e-01 6.313425743e-01 1.74 -2.611051967e+00 -4.289592364e-01 -1.192679722e+00 2.716456633e+00 -2.965431204e-01 2.302241486e-01 1.76 -2.924392267e+00 -6.405950737e-01 -1.191273382e+00 2.471647785e+00 -3.428916752e-01 -1.327531873e-01 1.78 -3.195614473e+00 -8.399266183e-01 -1.190891835e+00 2.242872253e+00 -3.847875424e-01 -4.602284935e-01 1.80 -3.429333743e+00 -1.028241699e+00 -1.191443781e+00 2.029161228e+00 -4.225791055e-01 -7.547508510e-01 1.82 -3.629675025e+00 -1.206663056e+00 -1.192842670e+00 1.829600616e+00 -4.566120088e-01 -1.018762409e+00 1.84 -3.800315739e+00 -1.376141184e+00 -1.195007774e+00 1.643327737e+00 -4.872221490e-01 -1.254585825e+00 1.86 -3.944526367e+00 -1.537449723e+00 -1.197864903e+00 1.469528406e+00 -5.147300807e-01 -1.464415554e+00 1.88 -4.065208808e+00 -1.691183022e+00 -1.201346821e+00 1.307434306e+00 -5.394368620e-01 -1.650312484e+00 1.90 -4.164932226e+00 -1.837757467e+00 -1.205393413e+00 1.156320630e+00 -5.616255060e-01 -1.814201390e+00 1.92 -4.245966471e+00 -1.977418093e+00 -1.209951637e+00 1.015503926e+00 -5.815580806e-01 -1.957870756e+00 1.94 -4.310313064e+00 -2.110252735e+00 -1.214975303e+00 8.843401035e-01 -5.994682287e-01 -2.082974530e+00 1.96 -4.359733686e+00 -2.236222053e+00 -1.220424712e+00 7.622226007e-01 -6.155606982e-01 -2.191035417e+00 1.98 -4.395776385e+00 -2.355193947e+00 -1.226266161e+00 6.485806461e-01 -6.300118584e-01 -2.283449544e+00 2.00 -4.419799502e+00 -2.466974471e+00 -1.232471338e+00 5.428776241e-01 -6.429707218e-01 -2.361498766e+00 2.02 -4.432996272e+00 -2.571341759e+00 -1.239016694e+00 4.446095233e-01 -6.545603692e-01 -2.426373410e+00 2.04 -4.436437131e+00 -2.668080239e+00 -1.245883786e+00 3.533039128e-01 -6.648803042e-01 -2.479182180e+00 2.06 -4.431100446e+00 -2.757009002e+00 -1.253059612e+00 2.685218271e-01 -6.740121939e-01 -2.520957152e+00 2.08 -4.417881444e+00 -2.838011542e+00 -1.260535777e+00 1.898535494e-01 -6.820245590e-01 -2.552658453e+00 2.10 -4.397599060e+00 -2.911056607e+00 -1.268307315e+00 1.169150015e-01 -6.889752681e-01 -2.575178651e+00 2.12 -4.371002213e+00 -2.976206953e+00 -1.276371216e+00 4.934630950e-02 -6.949137513e-01 -2.589346905e+00 2.14 -4.338775575e+00 -3.033618829e+00 -1.284724714e+00 -1.319002562e-02 -6.998830095e-01 -2.595932864e+00 2.16 -4.301544884e+00 -3.083533529e+00 -1.293363293e+00 -7.101185140e-02 -7.039213940e-01 -2.595650358e+00 2.18 -4.259881798e+00 -3.126263237e+00 -1.302278342e+00 -1.244218035e-01 -7.070626140e-01 -2.589160872e+00 2.20 -4.214308381e+00 -3.162173726e+00 -1.311454432e+00 -1.737147306e-01 -7.093324765e-01 -2.577076841e+00 2.22 -4.165301200e+00 -3.191666326e+00 -1.320866163e+00 -2.191897577e-01 -7.107559744e-01 -2.559964756e+00 2.24 -4.113295100e+00 -3.215161120e+00 -1.330474600e+00 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