# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2017--Kim-J-S-Seol-D-Ji-J-et-al--Cu-Pt # implementation = 2017--Kim-J-S--Cu-Pt--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 Cu Cu Cu Pt Pt Pt 0.02 1.066119306e+03 1.594615879e+03 1.089998060e+04 0.04 1.004671348e+03 1.504871328e+03 1.020280507e+04 0.06 9.466267829e+02 1.419974585e+03 9.548989198e+03 0.08 8.918022713e+02 1.339672054e+03 8.935899619e+03 0.10 8.400241295e+02 1.263723040e+03 8.361059656e+03 0.12 7.911278323e+02 1.191899114e+03 7.822140149e+03 0.14 7.449575395e+02 1.123983503e+03 7.316950828e+03 0.16 7.013656463e+02 1.059770506e+03 6.843432184e+03 0.18 6.602123568e+02 9.990649498e+02 6.399647800e+03 0.20 6.213652788e+02 9.416816585e+02 5.983777132e+03 0.22 5.846990398e+02 8.874449570e+02 5.594108705e+03 0.24 5.500949221e+02 8.361881954e+02 5.229033697e+03 0.26 5.174405169e+02 7.877532973e+02 4.887039904e+03 0.28 4.866293958e+02 7.419903303e+02 4.566706042e+03 0.30 4.575607991e+02 6.987570970e+02 4.266696392e+03 0.32 4.301393402e+02 6.579187465e+02 3.985755742e+03 0.34 4.042747250e+02 6.193474048e+02 3.722704633e+03 0.36 3.798814858e+02 5.829218229e+02 3.476434880e+03 0.38 3.568787286e+02 5.485270433e+02 3.245905344e+03 0.40 3.351898939e+02 5.160540813e+02 3.030137963e+03 0.42 3.147425291e+02 4.853996237e+02 2.828214007e+03 0.44 2.954680730e+02 4.564657410e+02 2.639270549e+03 0.46 2.773016517e+02 4.291596143e+02 2.462497150e+03 0.48 2.601818841e+02 4.033932764e+02 2.297132731e+03 0.50 2.440506985e+02 3.790833644e+02 2.142462629e+03 0.52 2.288531578e+02 3.561508854e+02 1.997815829e+03 0.54 2.145372944e+02 3.345209939e+02 1.862562353e+03 0.56 2.010539530e+02 3.141227799e+02 1.736110806e+03 0.58 1.883566421e+02 2.948890678e+02 1.617906065e+03 0.60 1.764013932e+02 2.767562249e+02 1.507427102e+03 0.62 1.651466264e+02 2.596639800e+02 1.404184940e+03 0.64 1.545530243e+02 2.435552511e+02 1.307720721e+03 0.66 1.445834115e+02 2.283759807e+02 1.217603896e+03 0.68 1.352026409e+02 2.140749810e+02 1.133430521e+03 0.70 1.263774852e+02 2.006037853e+02 1.054821647e+03 0.72 1.180765353e+02 1.879165079e+02 9.814218104e+02 0.74 1.102701026e+02 1.759697103e+02 9.128976149e+02 0.76 1.029301274e+02 1.647222752e+02 8.489363919e+02 0.78 9.603009179e+01 1.541352853e+02 7.892449440e+02 0.80 8.954493681e+01 1.441719100e+02 7.335483618e+02 0.82 8.345098443e+01 1.347972960e+02 6.815889119e+02 0.84 7.772586333e+01 1.259784651e+02 6.331249904e+02 0.86 7.234843863e+01 1.176842162e+02 5.879301389e+02 0.88 6.729874536e+01 1.098850323e+02 5.457921196e+02 0.90 6.255792537e+01 1.025529928e+02 5.065120452e+02 0.92 5.810816765e+01 9.566168956e+01 4.699035612e+02 0.94 5.393265168e+01 8.918614791e+01 4.357920769e+02 0.96 5.001549391e+01 8.310275108e+01 4.040140425e+02 0.98 4.634169693e+01 7.738916892e+01 3.744162702e+02 1.00 4.289710146e+01 7.202429006e+01 3.468552949e+02 1.02 3.966834076e+01 6.698815761e+01 3.211967747e+02 1.04 3.664279756e+01 6.226190813e+01 2.973149267e+02 1.06 3.380856324e+01 5.782771368e+01 2.750919970e+02 1.08 3.115439916e+01 5.366872694e+01 2.544177629e+02 1.10 2.866970005e+01 4.976902901e+01 2.351890651e+02 1.12 2.634445942e+01 4.611357996e+01 2.173093680e+02 1.14 2.416923672e+01 4.268817180e+01 2.006883472e+02 1.16 2.213512629e+01 3.947938397e+01 1.852415017e+02 1.18 2.023372802e+01 3.647454084e+01 1.708897895e+02 1.20 1.845711952e+01 3.366167156e+01 1.575592860e+02 1.22 1.679782977e+01 3.102947166e+01 1.451808627e+02 1.24 1.524881429e+01 2.856726669e+01 1.336898855e+02 1.26 1.380343148e+01 2.626497745e+01 1.230259323e+02 1.28 1.245542040e+01 2.411308695e+01 1.131325264e+02 1.30 1.119887962e+01 2.210260884e+01 1.039568879e+02 1.32 1.002824731e+01 2.022505729e+01 9.544969918e+01 1.34 8.938282319e+00 1.847241824e+01 8.756488527e+01 1.36 7.924046315e+00 1.683712188e+01 8.025940793e+01 1.38 6.980886923e+00 1.531201642e+01 7.349307208e+01 1.40 6.104421728e+00 1.389034301e+01 6.722834443e+01 1.42 5.290523166e+00 1.256571180e+01 6.143018331e+01 1.44 4.535304244e+00 1.133207919e+01 5.606587902e+01 1.46 3.835105026e+00 1.018372619e+01 5.110490417e+01 1.48 3.186479861e+00 9.115237933e+00 4.651877328e+01 1.50 2.586185314e+00 8.121484431e+00 4.228091120e+01 1.52 2.031168751e+00 7.197602505e+00 3.836652974e+01 1.54 1.518557556e+00 6.338979040e+00 3.475251203e+01 1.56 1.045648939e+00 5.541235582e+00 3.141730417e+01 1.58 6.099003097e-01 4.800214364e+00 2.834081365e+01 1.60 2.089201803e-01 4.111965858e+00 2.550431425e+01 1.62 -1.595404234e-01 3.472737935e+00 2.289035693e+01 1.64 -4.975960758e-01 2.878966751e+00 2.048268634e+01 1.66 -8.072346133e-01 2.327269476e+00 1.826616274e+01 1.68 -1.090324369e+00 1.814438977e+00 1.622668881e+01 1.70 -1.348621004e+00 1.337440587e+00 1.435114119e+01 1.72 -1.583773958e+00 8.934110511e-01 1.262730647e+01 1.74 -1.797332547e+00 4.796597462e-01 1.104382122e+01 1.76 -1.990751710e+00 9.367217941e-02 9.590116043e+00 1.78 -2.165397455e+00 -2.668842967e-01 8.256363135e+00 1.80 -2.322551993e+00 -6.041527600e-01 7.033427402e+00 1.82 -2.463418597e+00 -9.200773885e-01 5.912820742e+00 1.84 -2.589126195e+00 -1.216393180e+00 4.886659381e+00 1.86 -2.700733712e+00 -1.494615694e+00 3.947624057e+00 1.88 -2.799234184e+00 -1.756032153e+00 3.088922880e+00 1.90 -2.885558640e+00 -2.001695573e+00 2.304256710e+00 1.92 -2.960579781e+00 -2.232423927e+00 1.587786894e+00 1.94 -3.025115461e+00 -2.448806431e+00 9.341052059e-01 1.96 -3.079931972e+00 -2.651218931e+00 3.382058601e-01 1.98 -3.125747154e+00 -2.839849814e+00 -2.045405506e-01 2.00 -3.163233332e+00 -3.014736899e+00 -6.984113290e-01 2.02 -3.193020082e+00 -3.175814311e+00 -1.147354289e+00 2.04 -3.215696844e+00 -3.322966665e+00 -1.555008855e+00 2.06 -3.231815381e+00 -3.456086193e+00 -1.924725771e+00 2.08 -3.241892088e+00 -3.575127238e+00 -2.259585564e+00 2.10 -3.246410167e+00 -3.680152144e+00 -2.562415904e+00 2.12 -3.245821659e+00 -3.771363405e+00 -2.835807984e+00 2.14 -3.240549352e+00 -3.849118738e+00 -3.082132078e+00 2.16 -3.230988569e+00 -3.913928457e+00 -3.303552404e+00 2.18 -3.217508832e+00 -3.966437224e+00 -3.502041417e+00 2.20 -3.200455427e+00 -4.007394489e+00 -3.679393654e+00 2.22 -3.180150852e+00 -4.037619047e+00 -3.837239227e+00 2.24 -3.156896181e+00 -4.057963124e+00 -3.977057020e+00 2.26 -3.130972333e+00 -4.069280304e+00 -4.100187630e+00 2.28 -3.102641258e+00 -4.072400011e+00 -4.207846038e+00 2.30 -3.072147051e+00 -4.068109583e+00 -4.301133945e+00 2.32 -3.039716986e+00 -4.057143595e+00 -4.381051675e+00 2.34 -3.005562503e+00 -4.040179200e+00 -4.448509496e+00 2.36 -2.969880120e+00 -4.017835921e+00 -4.504338197e+00 2.38 -2.932852305e+00 -3.990678291e+00 -4.549298753e+00 2.40 -2.894648295e+00 -3.959220059e+00 -4.584090952e+00 2.42 -2.855424874e+00 -3.923928961e+00 -4.609360885e+00 2.44 -2.815327112e+00 -3.885231446e+00 -4.625707332e+00 2.46 -2.774489064e+00 -3.843517015e+00 -4.633687118e+00 2.48 -2.733034443e+00 -3.799142011e+00 -4.633819655e+00 2.50 -2.691077258e+00 -3.752432864e+00 -4.626590910e+00 2.52 -2.648722425e+00 -3.703688837e+00 -4.612457099e+00 2.54 -2.606066348e+00 -3.653184356e+00 -4.591848356e+00 2.56 -2.563197478e+00 -3.601171013e+00 -4.565172553e+00 2.58 -2.520196842e+00 -3.547879315e+00 -4.532819332e+00 2.60 -2.477138553e+00 -3.493520253e+00 -4.495164263e+00 2.62 -2.434090290e+00 -3.438286717e+00 -4.452572947e+00 2.64 -2.391113758e+00 -3.382354814e+00 -4.405404770e+00 2.66 -2.348265121e+00 -3.325885089e+00 -4.354016018e+00 2.68 -2.305595413e+00 -3.269023680e+00 -4.298762084e+00 2.70 -2.263150925e+00 -3.211903401e+00 -4.239998590e+00 2.72 -2.220973570e+00 -3.154644767e+00 -4.178081361e+00 2.74 -2.179101221e+00 -3.097356962e+00 -4.113365306e+00 2.76 -2.137568031e+00 -3.040138745e+00 -4.046202383e+00 2.78 -2.096404727e+00 -2.983079295e+00 -3.976938881e+00 2.80 -2.055638885e+00 -2.926259010e+00 -3.905912321e+00 2.82 -2.015295184e+00 -2.869750237e+00 -3.833448244e+00 2.84 -1.975395634e+00 -2.813617953e+00 -3.759857163e+00 2.86 -1.935959798e+00 -2.757920394e+00 -3.685431881e+00 2.88 -1.897004982e+00 -2.702709626e+00 -3.610445316e+00 2.90 -1.858546414e+00 -2.648032075e+00 -3.535148934e+00 2.92 -1.820597413e+00 -2.593929002e+00 -3.459771799e+00 2.94 -1.783169529e+00 -2.540436945e+00 -3.384520240e+00 2.96 -1.746272688e+00 -2.487588112e+00 -3.309578060e+00 2.98 -1.709915307e+00 -2.435410741e+00 -3.235107218e+00 3.00 -1.674104412e+00 -2.383929430e+00 -3.161248890e+00 3.02 -1.638845740e+00 -2.333165436e+00 -3.088124815e+00 3.04 -1.604143831e+00 -2.283136941e+00 -3.015838823e+00 3.06 -1.570002114e+00 -2.233859306e+00 -2.944478478e+00 3.08 -1.536422990e+00 -2.185345292e+00 -2.874116747e+00 3.10 -1.503407905e+00 -2.137605275e+00 -2.804813645e+00 3.12 -1.470957415e+00 -2.090647437e+00 -2.736617814e+00 3.14 -1.439071256e+00 -2.044477944e+00 -2.669567985e+00 3.16 -1.407748400e+00 -1.999101113e+00 -2.603694327e+00 3.18 -1.376987113e+00 -1.954519572e+00 -2.539019643e+00 3.20 -1.346785008e+00 -1.910734398e+00 -2.475560444e+00 3.22 -1.317139101e+00 -1.867745259e+00 -2.413327864e+00 3.24 -1.288045852e+00 -1.825550540e+00 -2.352328466e+00 3.26 -1.259501216e+00 -1.784147462e+00 -2.292564916e+00 3.28 -1.231500687e+00 -1.743532194e+00 -2.234036558e+00 3.30 -1.204039338e+00 -1.703699955e+00 -2.176739902e+00 3.32 -1.177111862e+00 -1.664645114e+00 -2.120669025e+00 3.34 -1.150712612e+00 -1.626361275e+00 -2.065815917e+00 3.36 -1.124835632e+00 -1.588841363e+00 -2.012170767e+00 3.38 -1.099474695e+00 -1.552077699e+00 -1.959722212e+00 3.40 -1.074623335e+00 -1.516062069e+00 -1.908457543e+00 3.42 -1.050274876e+00 -1.480785789e+00 -1.858362890e+00 3.44 -1.026422459e+00 -1.446239761e+00 -1.809423376e+00 3.46 -1.003059072e+00 -1.412414531e+00 -1.761623265e+00 3.48 -9.801775714e-01 -1.379300332e+00 -1.714946076e+00 3.50 -9.577707073e-01 -1.346887133e+00 -1.669374700e+00 3.52 -9.358311421e-01 -1.315164675e+00 -1.624891501e+00 3.54 -9.143514719e-01 -1.284122511e+00 -1.581478400e+00 3.56 -8.933242434e-01 -1.253750041e+00 -1.539116963e+00 3.58 -8.727419705e-01 -1.224036537e+00 -1.497788470e+00 3.60 -8.525971493e-01 -1.194971177e+00 -1.457473984e+00 3.62 -8.328822715e-01 -1.166543065e+00 -1.418154413e+00 3.64 -8.135898368e-01 -1.138741259e+00 -1.379810561e+00 3.66 -7.947123642e-01 -1.111554793e+00 -1.342423179e+00 3.68 -7.762424017e-01 -1.084972691e+00 -1.305973012e+00 3.70 -7.581725356e-01 -1.058983989e+00 -1.270440837e+00 3.72 -7.404953988e-01 -1.033577751e+00 -1.235807498e+00 3.74 -7.232036777e-01 -1.008743082e+00 -1.202053940e+00 3.76 -7.062901191e-01 -9.844691450e-01 -1.169161238e+00 3.78 -6.897475358e-01 -9.607451683e-01 -1.137110621e+00 3.80 -6.735688115e-01 -9.375604604e-01 -1.105883496e+00 3.82 -6.577469061e-01 -9.149044182e-01 -1.075461469e+00 3.84 -6.422748589e-01 -8.927665366e-01 -1.045826359e+00 3.86 -6.271457926e-01 -8.711364162e-01 -1.016960219e+00 3.88 -6.123529163e-01 -8.500037705e-01 -9.888453438e-01 3.90 -5.978895279e-01 -8.293584326e-01 -9.614642839e-01 3.92 -5.837490166e-01 -8.091903602e-01 -9.347998558e-01 3.94 -5.699248649e-01 -7.894896410e-01 -9.088351497e-01 3.96 -5.564106498e-01 -7.702464971e-01 -8.835535359e-01 3.98 -5.432000446e-01 -7.514512882e-01 -8.589386708e-01 4.00 -5.302868197e-01 -7.330945152e-01 -8.349745010e-01 4.02 -5.176648432e-01 -7.151668225e-01 -8.116452667e-01 4.04 -5.053280819e-01 -6.976590007e-01 -7.889355043e-01 4.06 -4.932706013e-01 -6.805619877e-01 -7.668300474e-01 4.08 -4.814865662e-01 -6.638668707e-01 -7.453140279e-01 4.10 -4.699702402e-01 -6.475648869e-01 -7.243728760e-01 4.12 -4.587159860e-01 -6.316474243e-01 -7.039923193e-01 4.14 -4.477182649e-01 -6.161060217e-01 -6.841583821e-01 4.16 -4.369716365e-01 -6.009323696e-01 -6.648573830e-01 4.18 -4.264707582e-01 -5.861183092e-01 -6.460759339e-01 4.20 -4.162103845e-01 -5.716558326e-01 -6.278009362e-01 4.22 -4.061853662e-01 -5.575370819e-01 -6.100195790e-01 4.24 -3.963906499e-01 -5.437543485e-01 -5.927193354e-01 4.26 -3.868212769e-01 -5.303000723e-01 -5.758879591e-01 4.28 -3.774723822e-01 -5.171668404e-01 -5.595134809e-01 4.30 -3.683391939e-01 -5.043473858e-01 -5.435842049e-01 4.32 -3.594170315e-01 -4.918345863e-01 -5.280887040e-01 4.34 -3.507013055e-01 -4.796214627e-01 -5.130158164e-01 4.36 -3.421875157e-01 -4.677011775e-01 -4.983546408e-01 4.38 -3.338712503e-01 -4.560670329e-01 -4.840945322e-01 4.40 -3.257481849e-01 -4.447124694e-01 -4.702250972e-01 4.42 -3.170141463e-01 -4.325077706e-01 -4.555706684e-01 4.44 -2.976301498e-01 -4.053780821e-01 -4.255852775e-01 4.46 -2.425879730e-01 -3.285956669e-01 -3.445119579e-01 4.48 -1.256108553e-01 -1.676342290e-01 -1.763637821e-01 4.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.54 0.000000000e+00 0.000000000e+00 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