# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2017--OBrien-C-J-Barr-C-M-Price-P-M-et-al--Pt-Au # implementation = 2017--OBrien-C-J--Pt-Au--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 2022-05-24 r Au Au Au Pt Pt Pt 0.02 4.033577521e+04 6.000564183e+04 2.279241065e+03 0.04 3.695239465e+04 5.479514610e+04 2.146160547e+03 0.06 3.385265989e+04 5.003675821e+04 2.020804805e+03 0.08 3.101279969e+04 4.569126218e+04 1.902724357e+03 0.10 2.841103461e+04 4.172284310e+04 1.791495958e+03 0.12 2.602741018e+04 3.809879219e+04 1.686721058e+03 0.14 2.384364397e+04 3.478923740e+04 1.588024360e+03 0.16 2.184298549e+04 3.176689746e+04 1.495052458e+03 0.18 2.001008786e+04 2.900685719e+04 1.407472558e+03 0.20 1.833089018e+04 2.648636229e+04 1.324971266e+03 0.22 1.679250981e+04 2.418463196e+04 1.247253462e+03 0.24 1.538314363e+04 2.208268776e+04 1.174041224e+03 0.26 1.409197760e+04 2.016319728e+04 1.105072825e+03 0.28 1.290910387e+04 1.841033143e+04 1.040101788e+03 0.30 1.182544489e+04 1.680963404e+04 9.788959908e+02 0.32 1.083268379e+04 1.534790280e+04 9.212368316e+02 0.34 9.923200680e+03 1.401308053e+04 8.669184354e+02 0.36 9.090014252e+03 1.279415586e+04 8.157469123e+02 0.38 8.326728249e+03 1.168107252e+04 7.675396571e+02 0.40 7.627482458e+03 1.066464655e+04 7.221246906e+02 0.42 6.986907793e+03 9.736490599e+03 6.793400394e+02 0.44 6.400085144e+03 8.888944861e+03 6.390331512e+02 0.46 5.862507667e+03 8.115013978e+03 6.010603458e+02 0.48 5.370046242e+03 7.408309411e+03 5.652862970e+02 0.50 4.918917825e+03 6.762996808e+03 5.315835457e+02 0.52 4.505656442e+03 6.173747942e+03 4.998320405e+02 0.54 4.127086626e+03 5.635696813e+03 4.699187065e+02 0.56 3.780299070e+03 5.144399559e+03 4.417370380e+02 0.58 3.462628324e+03 4.695797847e+03 4.151867158e+02 0.60 3.171632362e+03 4.286185425e+03 3.901732469e+02 0.62 2.905073856e+03 3.912177596e+03 3.666076251e+02 0.64 2.660903025e+03 3.570683319e+03 3.444060107e+02 0.66 2.437241919e+03 3.258879743e+03 3.234894308e+02 0.68 2.232370014e+03 2.974188943e+03 3.037834947e+02 0.70 2.044711026e+03 2.714256677e+03 2.852181283e+02 0.72 1.872820817e+03 2.476932981e+03 2.677273220e+02 0.74 1.715376324e+03 2.260254454e+03 2.512488946e+02 0.76 1.571165411e+03 2.062428070e+03 2.357242705e+02 0.78 1.439077571e+03 1.881816403e+03 2.210982702e+02 0.80 1.318095412e+03 1.716924127e+03 2.073189124e+02 0.82 1.207286848e+03 1.566385689e+03 1.943372284e+02 0.84 1.105797952e+03 1.428954056e+03 1.821070868e+02 0.86 1.012846406e+03 1.303490425e+03 1.705850288e+02 0.88 9.277154958e+02 1.188954842e+03 1.597301127e+02 0.90 8.497486155e+02 1.084397622e+03 1.495037679e+02 0.92 7.783442269e+02 9.889515174e+02 1.398696568e+02 0.94 7.129374333e+02 9.018264145e+02 1.307935458e+02 0.96 6.529584635e+02 8.223084824e+02 1.222431824e+02 0.98 5.979479198e+02 7.497380614e+02 1.141881809e+02 1.00 5.474942598e+02 6.835107055e+02 1.065999135e+02 1.02 5.012202020e+02 6.230735274e+02 9.945140862e+01 1.04 4.587798575e+02 5.679212450e+02 9.271725489e+01 1.06 4.198561023e+02 5.175938530e+02 8.637351043e+01 1.08 3.841581711e+02 4.716716008e+02 8.039761778e+01 1.10 3.514194526e+02 4.297702818e+02 7.476832363e+01 1.12 3.213954721e+02 3.915389453e+02 6.946560322e+01 1.14 2.938620404e+02 3.566578025e+02 6.447058917e+01 1.16 2.686135612e+02 3.248353495e+02 5.976550441e+01 1.18 2.454619287e+02 2.958057442e+02 5.533359902e+01 1.20 2.242352087e+02 2.693264352e+02 5.115909075e+01 1.22 2.047679025e+02 2.451760205e+02 4.722710903e+01 1.24 1.869236186e+02 2.231523108e+02 4.352364211e+01 1.26 1.705651916e+02 2.030705793e+02 4.003548742e+01 1.28 1.555701941e+02 1.847619778e+02 3.675020475e+01 1.30 1.418263096e+02 1.680721037e+02 3.365607208e+01 1.32 1.292304936e+02 1.528597042e+02 3.074204411e+01 1.34 1.176882021e+02 1.389955040e+02 2.799771308e+01 1.36 1.071126865e+02 1.263611468e+02 2.541327189e+01 1.38 9.742434650e+01 1.148484954e+02 2.297947944e+01 1.40 8.855017842e+01 1.043593707e+02 2.068762785e+01 1.42 8.042663972e+01 9.478437507e+01 1.854034974e+01 1.44 7.298954553e+01 8.600841124e+01 1.655066635e+01 1.46 6.616531662e+01 7.796530062e+01 1.470911124e+01 1.48 5.993033486e+01 7.059532597e+01 1.300335028e+01 1.50 5.422508454e+01 6.384368156e+01 1.141973070e+01 1.52 4.900591073e+01 5.766005843e+01 9.949064311e+00 1.54 4.423274010e+01 5.199765835e+01 8.584225456e+00 1.56 3.986878588e+01 4.681222646e+01 7.315815882e+00 1.58 3.588027688e+01 4.206380572e+01 6.135594478e+00 1.60 3.223620918e+01 3.771652650e+01 5.037990564e+00 1.62 2.890811846e+01 3.373812963e+01 4.019177821e+00 1.64 2.586987114e+01 3.010014875e+01 3.076327928e+00 1.66 2.309747280e+01 2.677226598e+01 2.207040464e+00 1.68 2.056889258e+01 2.373456516e+01 1.408917580e+00 1.70 1.826390195e+01 2.096285508e+01 6.792567600e-01 1.72 1.616417652e+01 1.843647888e+01 1.483781732e-02 1.74 1.425299782e+01 1.613630247e+01 -5.882120254e-01 1.76 1.251105950e+01 1.404452281e+01 -1.134487541e+00 1.78 1.092573366e+01 1.214449841e+01 -1.629318353e+00 1.80 9.488809321e+00 1.042060111e+01 -2.078186402e+00 1.82 8.184477901e+00 8.858189619e+00 -2.484640702e+00 1.84 7.001604841e+00 7.445666196e+00 -2.851514254e+00 1.86 5.929966030e+00 6.161613136e+00 -3.181475319e+00 1.88 4.960173531e+00 5.001691667e+00 -3.477036248e+00 1.90 4.083607391e+00 3.955339679e+00 -3.740561876e+00 1.92 3.292353056e+00 3.011759291e+00 -3.974277476e+00 1.94 2.579143913e+00 2.162340832e+00 -4.181476224e+00 1.96 1.937308556e+00 1.399162201e+00 -4.369167895e+00 1.98 1.360722323e+00 7.149341568e-01 -4.541994670e+00 2.00 8.437628602e-01 1.029500728e-01 -4.701535857e+00 2.02 3.812692655e-01 -4.429602279e-01 -4.847423396e+00 2.04 -3.149539455e-02 -9.284729421e-01 -4.978207626e+00 2.06 -3.988785353e-01 -1.358809321e+00 -5.091997982e+00 2.08 -7.248696798e-01 -1.738771629e+00 -5.186929233e+00 2.10 -1.013129512e+00 -2.072612731e+00 -5.261503211e+00 2.12 -1.267016571e+00 -2.364274323e+00 -5.314845244e+00 2.14 -1.489611729e+00 -2.621209629e+00 -5.346900885e+00 2.16 -1.684130496e+00 -2.840334140e+00 -5.358585746e+00 2.18 -1.856497658e+00 -3.027878025e+00 -5.351890220e+00 2.20 -2.006763703e+00 -3.186739316e+00 -5.329931621e+00 2.22 -2.143609543e+00 -3.319580014e+00 -5.296911161e+00 2.24 -2.247069366e+00 -3.428844573e+00 -5.256194719e+00 2.26 -2.332615033e+00 -3.516777061e+00 -5.208722711e+00 2.28 -2.402375095e+00 -3.585465917e+00 -5.155167307e+00 2.30 -2.457884316e+00 -3.637070131e+00 -5.096154775e+00 2.32 -2.500547594e+00 -3.673599894e+00 -5.032268250e+00 2.34 -2.531650524e+00 -3.696764266e+00 -4.964050230e+00 2.36 -2.552369088e+00 -3.708019731e+00 -4.892005079e+00 2.38 -2.563778576e+00 -3.708615930e+00 -4.816601306e+00 2.40 -2.566861786e+00 -3.699634525e+00 -4.738273698e+00 2.42 -2.562516570e+00 -3.682021495e+00 -4.657425447e+00 2.44 -2.551562739e+00 -3.656613545e+00 -4.574430008e+00 2.46 -2.534748461e+00 -3.624159781e+00 -4.489632960e+00 2.48 -2.512756126e+00 -3.585374430e+00 -4.403353741e+00 2.50 -2.486207666e+00 -3.542683594e+00 -4.315887224e+00 2.52 -2.455669633e+00 -3.496096725e+00 -4.227505318e+00 2.54 -2.421657636e+00 -3.448580356e+00 -4.138458367e+00 2.56 -2.384640591e+00 -3.389543830e+00 -4.048976526e+00 2.58 -2.345044560e+00 -3.326969807e+00 -3.959271785e+00 2.60 -2.303256282e+00 -3.261365473e+00 -3.869851486e+00 2.62 -2.259626459e+00 -3.193241332e+00 -3.781806861e+00 2.64 -2.214472718e+00 -3.123112505e+00 -3.695816920e+00 2.66 -2.168082391e+00 -3.051501694e+00 -3.612105666e+00 2.68 -2.120715029e+00 -2.978935801e+00 -3.530582555e+00 2.70 -2.072604745e+00 -2.905827266e+00 -3.450957107e+00 2.72 -2.023962348e+00 -2.832441824e+00 -3.372828216e+00 2.74 -1.974977313e+00 -2.759011918e+00 -3.295751443e+00 2.76 -1.925819594e+00 -2.685745224e+00 -3.219289375e+00 2.78 -1.876641282e+00 -2.612826742e+00 -3.143049376e+00 2.80 -1.827578143e+00 -2.540420693e+00 -3.066712302e+00 2.82 -1.778751018e+00 -2.468672313e+00 -2.990055222e+00 2.84 -1.730267115e+00 -2.397709535e+00 -2.912969583e+00 2.86 -1.682221203e+00 -2.327644428e+00 -2.835475999e+00 2.88 -1.634696866e+00 -2.258574625e+00 -2.757735597e+00 2.90 -1.588037650e+00 -2.190584612e+00 -2.680057305e+00 2.92 -1.544408636e+00 -2.123746882e+00 -2.602899777e+00 2.94 -1.502936926e+00 -2.058123033e+00 -2.526861034e+00 2.96 -1.460733037e+00 -1.993764759e+00 -2.452371982e+00 2.98 -1.419989180e+00 -1.930714783e+00 -2.379475367e+00 3.00 -1.376241422e+00 -1.869007670e+00 -2.308176738e+00 3.02 -1.333342073e+00 -1.808670630e+00 -2.238478043e+00 3.04 -1.291353445e+00 -1.749724220e+00 -2.170377945e+00 3.06 -1.250293162e+00 -1.692182996e+00 -2.103872077e+00 3.08 -1.210173782e+00 -1.636056114e+00 -2.038953392e+00 3.10 -1.171003992e+00 -1.581347883e+00 -1.975612297e+00 3.12 -1.132789022e+00 -1.528057402e+00 -1.913836969e+00 3.14 -1.095530954e+00 -1.476585629e+00 -1.853613549e+00 3.16 -1.059229108e+00 -1.428097209e+00 -1.794926341e+00 3.18 -1.023880296e+00 -1.381144618e+00 -1.737758005e+00 3.20 -9.894791244e-01 -1.335294063e+00 -1.682089726e+00 3.22 -9.560182311e-01 -1.288808698e+00 -1.627901393e+00 3.24 -9.234885134e-01 -1.243501407e+00 -1.575171727e+00 3.26 -8.918793525e-01 -1.199539617e+00 -1.523878443e+00 3.28 -8.611787812e-01 -1.156904434e+00 -1.473998366e+00 3.30 -8.313736721e-01 -1.115572760e+00 -1.425507572e+00 3.32 -8.024498974e-01 -1.075520368e+00 -1.378381471e+00 3.34 -7.743924660e-01 -1.036722087e+00 -1.332594936e+00 3.36 -7.471856572e-01 -9.991519735e-01 -1.288122383e+00 3.38 -7.208131383e-01 -9.627834627e-01 -1.244937881e+00 3.40 -6.952580728e-01 -9.275895075e-01 -1.203015196e+00 3.42 -6.705032183e-01 -8.935427043e-01 -1.162327909e+00 3.44 -6.465310228e-01 -8.606154112e-01 -1.122849451e+00 3.46 -6.233236995e-01 -8.287798580e-01 -1.084553197e+00 3.48 -6.008632731e-01 -7.980081840e-01 -1.047412490e+00 3.50 -5.791316781e-01 -7.682725802e-01 -1.011400716e+00 3.52 -5.581108463e-01 -7.395453782e-01 -9.764913514e-01 3.54 -5.377826462e-01 -7.117990079e-01 -9.426580052e-01 3.56 -5.181290574e-01 -6.850061756e-01 -9.098744549e-01 3.58 -4.991321590e-01 -6.591398693e-01 -8.781146856e-01 3.60 -4.807740993e-01 -6.341733285e-01 -8.473529212e-01 3.62 -4.630373175e-01 -6.100802817e-01 -8.175636517e-01 3.64 -4.459042813e-01 -5.868346741e-01 -7.887216594e-01 3.66 -4.293578766e-01 -5.644110844e-01 -7.608020631e-01 3.68 -4.133810299e-01 -5.427843294e-01 -7.337803442e-01 3.70 -3.979570981e-01 -5.219298596e-01 -7.076322683e-01 3.72 -3.830696480e-01 -5.018235323e-01 -6.823339895e-01 3.74 -3.687024352e-01 -4.824416441e-01 -6.578621958e-01 3.76 -3.548398447e-01 -4.637613610e-01 -6.341937327e-01 3.78 -3.414661207e-01 -4.457598995e-01 -6.113060574e-01 3.80 -3.285661288e-01 -4.284147992e-01 -5.891769869e-01 3.82 -3.161252220e-01 -4.117275577e-01 -5.677846623e-01 3.84 -3.041285246e-01 -3.956874664e-01 -5.471078895e-01 3.86 -2.925619151e-01 -3.801815443e-01 -5.271256307e-01 3.88 -2.814118700e-01 -3.651174695e-01 -5.078174808e-01 3.90 -2.706645302e-01 -3.505183794e-01 -4.891640112e-01 3.92 -2.603065672e-01 -3.365577108e-01 -4.711443902e-01 3.94 -2.503254097e-01 -3.233769245e-01 -4.537711324e-01 3.96 -2.407089327e-01 -3.110651344e-01 -4.370888307e-01 3.98 -2.314443376e-01 -2.995743375e-01 -4.208311078e-01 4.00 -2.225196323e-01 -2.889228949e-01 -4.047850184e-01 4.02 -2.139236124e-01 -2.791415014e-01 -3.891855953e-01 4.04 -2.056455354e-01 -2.702413765e-01 -3.745657164e-01 4.06 -1.976796891e-01 -2.622176807e-01 -3.613152317e-01 4.08 -1.900383979e-01 -2.550034166e-01 -3.494782283e-01 4.10 -1.826915945e-01 -2.484650750e-01 -3.390615382e-01 4.12 -1.756077081e-01 -2.424865011e-01 -3.301963287e-01 4.14 -1.687610614e-01 -2.369714601e-01 -3.229455430e-01 4.16 -1.621308480e-01 -2.318477857e-01 -3.173025852e-01 4.18 -1.556987789e-01 -2.270526444e-01 -3.130138223e-01 4.20 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