# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Ni-Al # implementation = 2025--Sharifi-H--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 Al Al Al Ni Ni Ni 0.02 1.028140289e+05 2.180539151e+05 4.627988409e+05 0.04 4.400192354e+04 9.218002921e+04 1.934542832e+05 0.06 2.553665024e+04 5.295346302e+04 1.101353242e+05 0.08 1.685684394e+04 3.464310948e+04 7.150221648e+04 0.10 1.196920789e+04 2.439722132e+04 5.001136161e+04 0.12 8.910587048e+03 1.802244446e+04 3.671185755e+04 0.14 6.858160167e+03 1.376831686e+04 2.788203775e+04 0.16 5.410802380e+03 1.078464320e+04 2.172048195e+04 0.18 4.351605415e+03 8.613121938e+03 1.725883939e+04 0.20 3.553960781e+03 6.986938923e+03 1.393465691e+04 0.22 2.939466088e+03 5.741236603e+03 1.140112974e+04 0.24 2.457234689e+03 4.769236383e+03 9.434101450e+03 0.26 2.072950668e+03 3.999083741e+03 7.883078369e+03 0.28 1.762727048e+03 3.380878118e+03 6.643823836e+03 0.30 1.509490653e+03 2.879047599e+03 5.642257180e+03 0.32 1.300762017e+03 2.467669486e+03 4.824576857e+03 0.34 1.127243071e+03 2.127494703e+03 4.150981824e+03 0.36 9.818915000e+02 1.843998150e+03 3.591559458e+03 0.38 8.592966724e+02 1.606064736e+03 3.123516198e+03 0.40 7.552492328e+02 1.405083694e+03 2.729270784e+03 0.42 6.664381665e+02 1.234311691e+03 2.395115433e+03 0.44 5.902332895e+02 1.088416126e+03 2.110257711e+03 0.46 5.245267649e+02 9.631429231e+02 1.866125251e+03 0.48 4.676158915e+02 8.550713517e+02 1.655854062e+03 0.50 4.181151742e+02 7.614305532e+02 1.473906825e+03 0.52 3.748897255e+02 6.799609758e+02 1.315785606e+03 0.54 3.370042203e+02 6.088085015e+02 1.177813160e+03 0.56 3.036833835e+02 5.464427766e+02 1.056964878e+03 0.58 2.742811966e+02 4.915937954e+02 9.507388162e+02 0.60 2.482566582e+02 4.432021711e+02 8.570541847e+02 0.62 2.251545792e+02 4.003798939e+02 7.741715794e+02 0.64 2.045902836e+02 3.623791941e+02 7.006299394e+02 0.66 1.862373133e+02 3.285676223e+02 6.351963020e+02 0.68 1.698175110e+02 2.984080339e+02 5.768256025e+02 0.70 1.550929773e+02 2.714424199e+02 5.246283262e+02 0.72 1.418595005e+02 2.472787549e+02 4.778442944e+02 0.74 1.299411797e+02 2.255802750e+02 4.358213702e+02 0.76 1.191859969e+02 2.060566844e+02 3.979980540e+02 0.78 1.094621533e+02 1.884569047e+02 3.638891798e+02 0.80 1.006550318e+02 1.725630888e+02 3.330741409e+02 0.82 9.266466413e+01 1.581860271e+02 3.051871291e+02 0.84 8.540361118e+01 1.448717096e+02 2.799090185e+02 0.86 7.879518652e+01 1.320151506e+02 2.569606004e+02 0.88 7.277195764e+01 1.198039778e+02 2.360969052e+02 0.90 6.727448037e+01 1.083697621e+02 2.171024320e+02 0.92 6.225022684e+01 9.777889404e+01 1.997871246e+02 0.94 5.765267227e+01 8.805171644e+01 1.839829582e+02 0.96 5.344048899e+01 7.917681962e+01 1.695410437e+02 0.98 4.956436999e+01 7.112166112e+01 1.563291582e+02 1.00 4.596041709e+01 6.384038378e+01 1.442296309e+02 1.02 4.261633517e+01 5.727950189e+01 1.331250128e+02 1.04 3.952021508e+01 5.138198046e+01 1.227064231e+02 1.06 3.665791631e+01 4.609010119e+01 1.128558849e+02 1.08 3.401414415e+01 4.134742215e+01 1.035530988e+02 1.10 3.157322160e+01 3.710006444e+01 9.478192872e+01 1.12 2.931962957e+01 3.329750343e+01 8.652852875e+01 1.14 2.723837337e+01 2.989300172e+01 7.878000427e+01 1.16 2.531521915e+01 2.684378437e+01 7.152347279e+01 1.18 2.353683447e+01 2.411103580e+01 6.474544683e+01 1.20 2.189085907e+01 2.165977552e+01 5.843146989e+01 1.22 2.036592532e+01 1.945865485e+01 5.256594699e+01 1.24 1.895164386e+01 1.747970796e+01 4.713211923e+01 1.26 1.763856548e+01 1.569807859e+01 4.211214161e+01 1.28 1.641812772e+01 1.409173906e+01 3.748723073e+01 1.30 1.528259287e+01 1.264121349e+01 3.323785540e+01 1.32 1.422498140e+01 1.132931143e+01 2.934394994e+01 1.34 1.323900452e+01 1.014087775e+01 2.578513409e+01 1.36 1.231899820e+01 9.062561330e+00 2.254092813e+01 1.38 1.145985982e+01 8.082602913e+00 1.959095496e+01 1.40 1.065698888e+01 7.190643399e+00 1.691512357e+01 1.42 9.906232158e+00 6.377551369e+00 1.449379077e+01 1.44 9.203833482e+00 5.635268788e+00 1.230789933e+01 1.46 8.546388034e+00 4.956673608e+00 1.033909233e+01 1.48 7.930801617e+00 4.335458425e+00 8.569804248e+00 1.50 7.354254837e+00 3.766024066e+00 6.983329915e+00 1.52 6.814171068e+00 3.243385523e+00 5.563873368e+00 1.54 6.308188170e+00 2.763089309e+00 4.296578166e+00 1.56 5.834133729e+00 2.321141379e+00 3.167541537e+00 1.58 5.390003498e+00 1.913944631e+00 2.163814621e+00 1.60 4.973942613e+00 1.538244990e+00 1.273390540e+00 1.62 4.584229366e+00 1.191085576e+00 4.851827098e-01 1.64 4.219261192e+00 8.697682599e-01 -2.110048446e-01 1.66 3.877542563e+00 5.718220805e-01 -8.245136511e-01 1.68 3.557674605e+00 2.949781782e-01 -1.363871482e+00 1.70 3.258346158e+00 3.715070887e-02 -1.836836508e+00 1.72 2.978326078e+00 -2.035766768e-01 -2.250443662e+00 1.74 2.716456633e+00 -4.289592364e-01 -2.611051967e+00 1.76 2.471647785e+00 -6.405950737e-01 -2.924392267e+00 1.78 2.242872253e+00 -8.399266183e-01 -3.195614473e+00 1.80 2.029161228e+00 -1.028241699e+00 -3.429333743e+00 1.82 1.829600616e+00 -1.206663056e+00 -3.629675025e+00 1.84 1.643327737e+00 -1.376141184e+00 -3.800315739e+00 1.86 1.469528406e+00 -1.537449723e+00 -3.944526367e+00 1.88 1.307434306e+00 -1.691183022e+00 -4.065208808e+00 1.90 1.156320630e+00 -1.837757467e+00 -4.164932226e+00 1.92 1.015503926e+00 -1.977418093e+00 -4.245966471e+00 1.94 8.843401035e-01 -2.110252735e+00 -4.310313064e+00 1.96 7.622226007e-01 -2.236222053e+00 -4.359733686e+00 1.98 6.485806461e-01 -2.355193947e+00 -4.395776385e+00 2.00 5.428776241e-01 -2.466974471e+00 -4.419799502e+00 2.02 4.446095233e-01 -2.571341759e+00 -4.432996272e+00 2.04 3.533039128e-01 -2.668080239e+00 -4.436437131e+00 2.06 2.685218271e-01 -2.757009002e+00 -4.431100446e+00 2.08 1.898535494e-01 -2.838011542e+00 -4.417881444e+00 2.10 1.169150015e-01 -2.911056607e+00 -4.397599060e+00 2.12 4.934630950e-02 -2.976206953e+00 -4.371002213e+00 2.14 -1.319002562e-02 -3.033618829e+00 -4.338775575e+00 2.16 -7.101185140e-02 -3.083533529e+00 -4.301544884e+00 2.18 -1.244218035e-01 -3.126263237e+00 -4.259881798e+00 2.20 -1.737147306e-01 -3.162173726e+00 -4.214308381e+00 2.22 -2.191897577e-01 -3.191666326e+00 -4.165301200e+00 2.24 -2.611688387e-01 -3.215161120e+00 -4.113295100e+00 2.26 -3.000240883e-01 -3.233082612e+00 -4.058686664e+00 2.28 -3.362155781e-01 -3.245848509e+00 -4.001837390e+00 2.30 -3.703348244e-01 -3.253861636e+00 -3.943076599e+00 2.32 -4.031510392e-01 -3.257504711e+00 -3.882704111e+00 2.34 -4.356546636e-01 -3.257137443e+00 -3.820992693e+00 2.36 -4.690888690e-01 -3.253095384e+00 -3.758190304e+00 2.38 -5.049574059e-01 -3.245690027e+00 -3.694522150e+00 2.40 -5.449960100e-01 -3.235209672e+00 -3.630192574e+00 2.42 -5.910951556e-01 -3.221920743e+00 -3.565386782e+00 2.44 -6.451651469e-01 -3.206069310e+00 -3.500272426e+00 2.46 -7.089415580e-01 -3.187882646e+00 -3.435001060e+00 2.48 -7.837410685e-01 -3.167572270e+00 -3.369709467e+00 2.50 -8.701949729e-01 -3.145349427e+00 -3.304520680e+00 2.52 -9.680076265e-01 -3.121417150e+00 -3.239540871e+00 2.54 -1.075802970e+00 -3.095961040e+00 -3.174861427e+00 2.56 -1.191123260e+00 -3.069150734e+00 -3.110564697e+00 2.58 -1.310619978e+00 -3.041141391e+00 -3.046724868e+00 2.60 -1.430426631e+00 -3.012075064e+00 -2.983408594e+00 2.62 -1.546642136e+00 -2.982081946e+00 -2.920675564e+00 2.64 -1.655810356e+00 -2.951281503e+00 -2.858579042e+00 2.66 -1.755281107e+00 -2.919783486e+00 -2.797166355e+00 2.68 -1.843382926e+00 -2.887688819e+00 -2.736479359e+00 2.70 -1.919404313e+00 -2.855090375e+00 -2.676554860e+00 2.72 -1.983434617e+00 -2.822073637e+00 -2.617425017e+00 2.74 -2.036138115e+00 -2.788717254e+00 -2.559117705e+00 2.76 -2.078526167e+00 -2.755093521e+00 -2.501656861e+00 2.78 -2.111767710e+00 -2.721268772e+00 -2.445062804e+00 2.80 -2.137053077e+00 -2.687303735e+00 -2.389352528e+00 2.82 -2.155508765e+00 -2.653253840e+00 -2.334539981e+00 2.84 -2.168152433e+00 -2.619169511e+00 -2.280636320e+00 2.86 -2.175875743e+00 -2.585096448e+00 -2.227650148e+00 2.88 -2.179447740e+00 -2.551075904e+00 -2.175587736e+00 2.90 -2.179543453e+00 -2.517144971e+00 -2.124453228e+00 2.92 -2.176740408e+00 -2.483336868e+00 -2.074248831e+00 2.94 -2.171522390e+00 -2.449681234e+00 -2.024974989e+00 2.96 -2.164293733e+00 -2.416204422e+00 -1.976630551e+00 2.98 -2.155392202e+00 -2.382929796e+00 -1.929212918e+00 3.00 -2.145100131e+00 -2.349878010e+00 -1.882718183e+00 3.02 -2.133653856e+00 -2.317067287e+00 -1.837141261e+00 3.04 -2.121251587e+00 -2.284513679e+00 -1.792476008e+00 3.06 -2.108059915e+00 -2.252231303e+00 -1.748715329e+00 3.08 -2.094219172e+00 -2.220232564e+00 -1.705851280e+00 3.10 -2.079847840e+00 -2.188528354e+00 -1.663875163e+00 3.12 -2.065046162e+00 -2.157128226e+00 -1.622777608e+00 3.14 -2.049899111e+00 -2.126040549e+00 -1.582548653e+00 3.16 -2.034478842e+00 -2.095272639e+00 -1.543177817e+00 3.18 -2.018846701e+00 -2.064830877e+00 -1.504654165e+00 3.20 -2.003054900e+00 -2.034720805e+00 -1.466966368e+00 3.22 -1.987147899e+00 -2.004947205e+00 -1.430102760e+00 3.24 -1.971163563e+00 -1.975514172e+00 -1.394051389e+00 3.26 -1.955134121e+00 -1.946425168e+00 -1.358800059e+00 3.28 -1.939086977e+00 -1.917683077e+00 -1.324336378e+00 3.30 -1.923045393e+00 -1.889290239e+00 -1.290647792e+00 3.32 -1.907029056e+00 -1.861248495e+00 -1.257721624e+00 3.34 -1.891054576e+00 -1.833559212e+00 -1.225545102e+00 3.36 -1.875135889e+00 -1.806223318e+00 -1.194105390e+00 3.38 -1.859284621e+00 -1.779241323e+00 -1.163389613e+00 3.40 -1.843510387e+00 -1.752613351e+00 -1.133384883e+00 3.42 -1.827821056e+00 -1.726339157e+00 -1.104078320e+00 3.44 -1.812222976e+00 -1.700418154e+00 -1.075457068e+00 3.46 -1.796721169e+00 -1.674849434e+00 -1.047508319e+00 3.48 -1.781319509e+00 -1.649631792e+00 -1.020219323e+00 3.50 -1.766020865e+00 -1.624763746e+00 -9.935774036e-01 3.52 -1.750827241e+00 -1.600243557e+00 -9.675699743e-01 3.54 -1.735739887e+00 -1.576069253e+00 -9.421845458e-01 3.56 -1.720759406e+00 -1.552238643e+00 -9.174087381e-01 3.58 -1.705885848e+00 -1.528749344e+00 -8.932302893e-01 3.60 -1.691118786e+00 -1.505598792e+00 -8.696370638e-01 3.62 -1.676457397e+00 -1.482784262e+00 -8.466170594e-01 3.64 -1.661900524e+00 -1.460302889e+00 -8.241584136e-01 3.66 -1.647446737e+00 -1.438151675e+00 -8.022494090e-01 3.68 -1.633094382e+00 -1.416327512e+00 -7.808784784e-01 3.70 -1.618841634e+00 -1.394827190e+00 -7.600342087e-01 3.72 -1.604686536e+00 -1.373647411e+00 -7.397053447e-01 3.74 -1.590627036e+00 -1.352784803e+00 -7.198807919e-01 3.76 -1.576661023e+00 -1.332235929e+00 -7.005496190e-01 3.78 -1.562786356e+00 -1.311997294e+00 -6.817010604e-01 3.80 -1.549000886e+00 -1.292065359e+00 -6.633245172e-01 3.82 -1.535302485e+00 -1.272436546e+00 -6.454095591e-01 3.84 -1.521689059e+00 -1.253107247e+00 -6.279459249e-01 3.86 -1.508158570e+00 -1.234073829e+00 -6.109235234e-01 3.88 -1.494709044e+00 -1.215332640e+00 -5.943324336e-01 3.90 -1.481338589e+00 -1.196880019e+00 -5.781629049e-01 3.92 -1.468045399e+00 -1.178712294e+00 -5.624053566e-01 3.94 -1.454827763e+00 -1.160825792e+00 -5.470503782e-01 3.96 -1.441684071e+00 -1.143216839e+00 -5.320887280e-01 3.98 -1.428612817e+00 -1.125881768e+00 -5.175113331e-01 4.00 -1.415612602e+00 -1.108816920e+00 -5.033092879e-01 4.02 -1.402682136e+00 -1.092018644e+00 -4.894738534e-01 4.04 -1.389820234e+00 -1.075483307e+00 -4.759964561e-01 4.06 -1.377025822e+00 -1.059207289e+00 -4.628686863e-01 4.08 -1.364297928e+00 -1.043186990e+00 -4.500822969e-01 4.10 -1.351635686e+00 -1.027418831e+00 -4.376292020e-01 4.12 -1.339038329e+00 -1.011899253e+00 -4.255014750e-01 4.14 -1.326505190e+00 -9.966247227e-01 -4.136913474e-01 4.16 -1.314035691e+00 -9.815917326e-01 -4.021912065e-01 4.18 -1.301629348e+00 -9.667968007e-01 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