# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2016--Borovikov-V-Mendelev-M-I-King-A-H--fictional-Cu-34 # implementation = 2016--Borovikov-V--fictional-Cu-34--LAMMPS--ipr1 # composition = Cu # NOTE: These values are for static, unrelaxed structures and use the ideal # b/a and c/a ratios for the crystal structure, not the potential-specific # values. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2022-05-24 r A1--Cu--fcc A15--beta-W A2--W--bcc A3'--alpha-La--d A3--Mg--hcp A4--C--dc A5--beta-Sn A6--In--bct A7--alpha-As Ah--alpha-Po--sc 0.50 nan nan nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan nan nan 0.70 nan nan nan nan nan nan nan nan nan nan 0.72 nan nan nan nan nan nan nan nan nan nan 0.74 nan nan nan nan nan nan nan nan nan nan 0.76 nan nan nan nan nan nan nan nan 1.500894852e+05 nan 0.78 nan nan nan nan nan nan nan nan 1.294944570e+05 nan 0.80 nan nan nan nan nan nan nan nan 1.109166648e+05 nan 0.82 nan nan nan nan nan 6.555590990e+04 nan nan 9.411629001e+04 nan 0.84 nan nan nan nan nan 5.234533475e+04 nan nan 7.888567256e+04 nan 0.86 nan nan nan nan nan 4.034321868e+04 nan nan 6.504595863e+04 nan 0.88 nan nan nan nan nan 2.992271585e+04 nan nan 5.244229653e+04 nan 0.90 nan nan nan nan nan 2.223044500e+04 nan nan 4.094023330e+04 nan 0.92 nan nan nan 1.679203198e+05 1.679211018e+05 1.660169742e+04 nan nan 3.079140235e+04 8.234085115e+04 0.94 nan 6.936238148e+04 nan 1.496330453e+05 1.496336904e+05 1.246077321e+04 7.213322778e+04 nan 2.315045877e+04 6.943349732e+04 0.96 nan 5.751097549e+04 nan 1.328441547e+05 1.328444807e+05 9.398688437e+03 6.011573758e+04 nan 1.748454273e+04 5.758548244e+04 0.98 nan 4.661172296e+04 nan 1.174036904e+05 1.174037011e+05 7.123152077e+03 4.906460449e+04 nan 1.326258583e+04 4.669037549e+04 1.00 nan 3.657138598e+04 nan 1.031794779e+05 1.031793375e+05 5.424085615e+03 3.888488500e+04 nan 1.010202792e+04 3.665442739e+04 1.02 nan 2.813376177e+04 nan 9.005315205e+04 9.005305676e+04 4.149273411e+03 2.997704428e+04 nan 7.725329172e+03 2.820898942e+04 1.04 nan 2.172338865e+04 6.144654185e+04 7.791979723e+04 7.791983385e+04 3.188233644e+03 2.316059279e+04 6.635353978e+04 5.930269639e+03 2.179182172e+04 1.06 6.668664489e+04 1.683285871e+04 5.113324762e+04 6.668754451e+04 6.668768575e+04 2.460656656e+03 1.795831174e+04 5.576651668e+04 4.569005639e+03 1.689561709e+04 1.08 5.627366185e+04 1.308690361e+04 4.157351242e+04 5.627466273e+04 5.627482838e+04 1.907528871e+03 1.397200958e+04 4.595275103e+04 3.532673875e+03 1.314492613e+04 1.10 4.660776888e+04 1.020676434e+04 3.284254096e+04 4.660835978e+04 4.660849487e+04 1.485290005e+03 1.090584361e+04 3.684330038e+04 2.740732182e+03 1.026072138e+04 1.12 3.762347314e+04 7.984328822e+03 2.585646486e+04 3.762343873e+04 3.762352135e+04 1.161630483e+03 8.538858032e+03 2.902379320e+04 2.133334742e+03 8.034715498e+03 1.14 2.977713112e+04 6.263470770e+03 2.041881558e+04 2.977671444e+04 2.977674921e+04 9.125195451e+02 6.705285296e+03 2.293331313e+04 1.665829471e+03 6.310683380e+03 1.16 2.362822639e+04 4.926581707e+03 1.617164634e+04 2.362781607e+04 2.362785089e+04 7.199957182e+02 5.280200171e+03 1.817393257e+04 1.304760457e+03 4.970908074e+03 1.18 1.880214215e+04 3.884758554e+03 1.284329888e+04 1.880194069e+04 1.880201609e+04 5.705788218e+02 4.169061178e+03 1.444238404e+04 1.024965926e+03 3.926378720e+03 1.20 1.500217180e+04 3.070457661e+03 1.022671172e+04 1.500221535e+04 1.500233453e+04 4.541277726e+02 3.300056692e+03 1.150741915e+04 8.074495694e+02 3.109546337e+03 1.22 1.200095251e+04 2.432201954e+03 8.163451014e+03 1.200116423e+04 1.200130666e+04 3.629856802e+02 2.618458883e+03 9.191958297e+03 6.378389822e+02 2.468901030e+03 1.24 9.623541783e+03 1.930607595e+03 6.531798902e+03 9.623814055e+03 9.623962968e+03 2.913525741e+02 2.082396679e+03 7.359887848e+03 5.052096121e+02 1.964977992e+03 1.26 7.734957603e+03 1.535432064e+03 5.237906691e+03 7.735210349e+03 7.735353199e+03 2.348161181e+02 1.659692214e+03 5.906257803e+03 4.012112505e+02 1.567470588e+03 1.28 6.230671259e+03 1.223340748e+03 4.209177443e+03 6.230855380e+03 6.230980973e+03 1.900090833e+02 1.325525488e+03 4.749841706e+03 3.194396254e+02 1.253046102e+03 1.30 5.029383085e+03 9.762832360e+02 3.389233230e+03 5.029496517e+03 5.029599898e+03 1.543417016e+02 1.060691235e+03 3.827544637e+03 2.549672636e+02 1.003706194e+03 1.32 4.067676785e+03 7.802787237e+02 2.734115015e+03 4.067746209e+03 4.067827729e+03 1.258008615e+02 8.503011212e+02 3.090193249e+03 2.039830379e+02 8.055195038e+02 1.34 3.295954249e+03 6.244713851e+02 2.209499045e+03 3.296008552e+03 3.296070603e+03 1.028656580e+02 6.827856725e+02 2.499348664e+03 1.635527889e+02 6.476448599e+02 1.36 2.675310476e+03 5.003908751e+02 1.788478864e+03 2.675356709e+03 2.675398867e+03 8.435724987e+01 5.491240263e+02 2.024873516e+03 1.314075658e+02 5.216181966e+02 1.38 2.175115561e+03 4.014002138e+02 1.449901932e+03 2.175144191e+03 2.175164316e+03 6.935458882e+01 4.422630706e+02 1.643056812e+03 1.057869249e+02 4.208054277e+02 1.40 1.771181238e+03 3.222875461e+02 1.177099150e+03 1.771180100e+03 1.771177771e+03 5.714039911e+01 3.566727277e+02 1.335193163e+03 8.531606968e+01 3.399948955e+02 1.42 1.444350323e+03 2.589568816e+02 9.569053054e+02 1.444317834e+03 1.444297688e+03 4.715861637e+01 2.880064155e+02 1.086482866e+03 6.891438453e+01 2.750880575e+02 1.44 1.179409842e+03 2.081888548e+02 7.788808202e+02 1.179360580e+03 1.179332666e+03 3.897545888e+01 2.328285313e+02 8.851967527e+02 5.572700723e+01 2.228574234e+02 1.46 9.642580353e+02 1.674470693e+02 6.347142685e+02 9.642110209e+02 9.641856550e+02 3.224400884e+01 1.883995995e+02 7.220178488e+02 4.509028921e+01 1.807598415e+02 1.48 7.892475951e+02 1.347179728e+02 5.177769263e+02 7.892149733e+02 7.891984690e+02 2.668745415e+01 1.525577026e+02 5.895210225e+02 3.648141254e+01 1.467846735e+02 1.50 6.466581048e+02 1.083960896e+02 4.227738876e+02 6.466452808e+02 6.466391868e+02 2.208612087e+01 1.235967346e+02 4.817712311e+02 2.949224870e+01 1.193180988e+02 1.52 5.302994033e+02 8.720216713e+01 3.454680036e+02 5.303072921e+02 5.303096920e+02 1.826204521e+01 1.001638037e+02 3.940164235e+02 2.380374950e+01 9.705795183e+01 1.54 4.352182980e+02 7.011818428e+01 2.824646617e+02 4.352420370e+02 4.352498003e+02 1.507022315e+01 8.118127400e+01 3.224561185e+02 1.916261946e+01 7.898735746e+01 1.56 3.574296589e+02 5.633408364e+01 2.310429443e+02 3.574618775e+02 3.574734468e+02 1.239373466e+01 6.578735023e+01 2.640349793e+02 1.536584867e+01 6.429185168e+01 1.58 2.937142374e+02 4.520663217e+01 1.890213489e+02 2.937502180e+02 2.937664868e+02 1.013971981e+01 5.329265426e+01 2.162890390e+02 1.225019703e+01 5.231541941e+01 1.60 2.414676743e+02 3.622235958e+01 1.546490677e+02 2.415045961e+02 2.415261111e+02 8.235945046e+00 4.314103986e+01 1.772281710e+02 9.685587296e+00 4.253400336e+01 1.62 1.985844955e+02 2.896788724e+01 1.265189657e+02 1.986177404e+02 1.986425300e+02 6.627616362e+00 3.488298179e+01 1.452448276e+02 7.569438585e+00 3.453295672e+01 1.64 1.633568430e+02 2.310871178e+01 1.034911247e+02 1.633798866e+02 1.634038057e+02 5.270630948e+00 2.815593188e+01 1.190354167e+02 5.820629910e+00 2.797926021e+01 1.66 1.343931131e+02 1.837266674e+01 8.463307580e+01 1.344004587e+02 1.344190053e+02 4.125779336e+00 2.266720212e+01 9.753897895e+01 4.373845022e+00 2.260063413e+01 1.68 1.105591213e+02 1.453835039e+01 6.918136963e+01 1.105487934e+02 1.105583595e+02 3.158471289e+00 1.818138387e+01 7.989150256e+01 3.176740255e+00 1.817599225e+01 1.70 9.092879383e+01 1.142717092e+01 5.651327670e+01 9.090329364e+01 9.090180860e+01 2.340330266e+00 1.450478258e+01 6.538895280e+01 2.186008648e+00 1.452728559e+01 1.72 7.474596029e+01 8.896772610e+00 4.612403341e+01 7.470997985e+01 7.469689238e+01 1.650351425e+00 1.148120625e+01 5.345850237e+01 1.363482149e+00 1.151281196e+01 1.74 6.139226464e+01 6.825432792e+00 3.760212296e+01 6.135124003e+01 6.132773653e+01 1.070171964e+00 8.988059925e+00 4.363446159e+01 6.741520969e-01 9.018451008e+00 1.76 5.036105079e+01 5.122282436e+00 3.060932742e+01 5.032103836e+01 5.029030503e+01 5.816740686e-01 6.926510176e+00 3.553954508e+01 9.410242166e-02 6.950975919e+00 1.78 4.123811643e+01 3.721145807e+00 2.486727745e+01 4.120555152e+01 4.117223166e+01 1.681813129e-01 5.217295303e+00 2.886852137e+01 -3.945593826e-01 5.234745283e+00 1.80 3.368688244e+01 2.571083691e+00 2.014694493e+01 3.366747406e+01 3.363645594e+01 -1.847824143e-01 3.796791949e+00 2.337277337e+01 -8.048808492e-01 3.808874776e+00 1.82 2.743651028e+01 1.630292590e+00 1.626089212e+01 2.743259403e+01 2.740763030e+01 -4.888577826e-01 2.613608664e+00 1.884900806e+01 -1.146490774e+00 2.624328528e+00 1.84 2.227011913e+01 8.616462164e-01 1.305029944e+01 2.227862513e+01 2.226132324e+01 -7.528930462e-01 1.626442634e+00 1.512810384e+01 -1.427974224e+00 1.641032836e+00 1.86 1.800639753e+01 2.326882564e-01 1.038884925e+01 1.802123682e+01 1.801168844e+01 -9.834651072e-01 8.023798463e-01 1.206729865e+01 -1.658025834e+00 8.260129007e-01 1.88 1.449013358e+01 -2.841327485e-01 8.181299144e+00 1.450585449e+01 1.450399302e+01 -1.185333165e+00 1.154712824e-01 9.547046714e+00 -1.844782452e+00 1.520870241e-01 1.90 1.158972089e+01 -7.176497844e-01 6.350882934e+00 1.160311283e+01 1.160905884e+01 -1.361547479e+00 -4.548646329e-01 7.468593549e+00 -1.996199034e+00 -4.033111567e-01 1.92 9.194580722e+00 -1.089109396e+00 4.834248540e+00 9.205116777e+00 9.218776181e+00 -1.513440654e+00 -9.253860551e-01 5.751414232e+00 -2.119854916e+00 -8.592524908e-01 1.94 7.212857424e+00 -1.410484541e+00 3.578955222e+00 7.222476168e+00 7.243276917e+00 -1.641548036e+00 -1.310673013e+00 4.330817498e+00 -2.222320931e+00 -1.231760500e+00 1.96 5.569665387e+00 -1.690389822e+00 2.538897012e+00 5.581078880e+00 5.607727874e+00 -1.747653883e+00 -1.624087887e+00 3.154673765e+00 -2.308594616e+00 -1.533371928e+00 1.98 4.205188425e+00 -1.935220929e+00 1.673963211e+00 4.220257761e+00 4.250711832e+00 -1.834613921e+00 -1.877765074e+00 2.180400326e+00 -2.381678438e+00 -1.772774735e+00 2.00 3.071558196e+00 -2.149913761e+00 9.503794714e-01 3.090593584e+00 3.122341858e+00 -1.905735846e+00 -2.083962603e+00 1.373387240e+00 -2.442929752e+00 -1.957628833e+00 2.02 2.129596464e+00 -2.338468977e+00 3.402786084e-01 2.151735925e+00 2.182414803e+00 -1.964424447e+00 -2.252987585e+00 7.054244069e-01 -2.492968359e+00 -2.097058368e+00 2.04 1.346852590e+00 -2.504180991e+00 -1.788658894e-01 1.370997214e+00 1.399151806e+00 -2.013669891e+00 -2.391751910e+00 1.533980551e-01 -2.532492536e+00 -2.200912071e+00 2.06 6.964571270e-01 -2.649503837e+00 -6.244295723e-01 7.215552797e-01 7.466156344e-01 -2.055274827e+00 -2.505563143e+00 -3.089445913e-01 -2.562238207e+00 -2.278605401e+00 2.08 1.561147218e-01 -2.776144049e+00 -1.009023680e+00 1.810831924e-01 2.029289588e-01 -2.089363201e+00 -2.598237751e+00 -7.009719447e-01 -2.582748203e+00 -2.338304968e+00 2.10 -2.926669103e-01 -2.885420254e+00 -1.341100373e+00 -2.689786885e-01 -2.502993500e-01 -2.115291877e+00 -2.672202859e+00 -1.035045449e+00 -2.594944146e+00 -2.386353049e+00 2.12 -6.738260465e-01 -2.979110505e+00 -1.632223966e+00 -6.526640702e-01 -6.371276282e-01 -2.135816603e+00 -2.731954834e+00 -1.324353553e+00 -2.602105832e+00 -2.431266777e+00 2.14 -1.006702372e+00 -3.059145034e+00 -1.891659289e+00 -9.893791501e-01 -9.771646118e-01 -2.154098535e+00 -2.781777276e+00 -1.579262193e+00 -2.606606157e+00 -2.478409953e+00 2.16 -1.297858900e+00 -3.126696438e+00 -2.121650765e+00 -1.285814092e+00 -1.277545881e+00 -2.170671081e+00 -2.822963738e+00 -1.804528273e+00 -2.607565786e+00 -2.525772726e+00 2.18 -1.551795179e+00 -3.182892564e+00 -2.324078430e+00 -1.546504619e+00 -1.543282368e+00 -2.185812024e+00 -2.856568150e+00 -2.003705084e+00 -2.604202248e+00 -2.569956461e+00 2.20 -1.773519294e+00 -3.229016379e+00 -2.500757274e+00 -1.775935489e+00 -1.778803450e+00 -2.199452515e+00 -2.883051728e+00 -2.180360655e+00 -2.596292645e+00 -2.608932896e+00 2.22 -1.968318584e+00 -3.266350852e+00 -2.653619582e+00 -1.978552981e+00 -1.988089759e+00 -2.211334919e+00 -2.902587755e+00 -2.337942648e+00 -2.584427795e+00 -2.642080705e+00 2.24 -2.141016846e+00 -3.296012107e+00 -2.784766594e+00 -2.158395516e+00 -2.174543983e+00 -2.221148590e+00 -2.915624629e+00 -2.479469785e+00 -2.569673730e+00 -2.669653487e+00 2.26 -2.295589078e+00 -3.318952152e+00 -2.896412659e+00 -2.318888799e+00 -2.340944530e+00 -2.228695981e+00 -2.923176164e+00 -2.607513086e+00 -2.552852111e+00 -2.692404370e+00 2.28 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