# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2015--Borovikov-V-Mendelev-M-I-King-A-H-LeSar-R--fictional-Cu-5 # implementation = 2015--Borovikov-V--fictional-Cu-5--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 7.077875854e+04 nan 0.78 nan nan nan nan nan nan nan nan 6.112765781e+04 nan 0.80 nan nan nan nan nan nan nan nan 5.242378699e+04 nan 0.82 nan nan nan nan nan 3.122564220e+04 nan nan 4.455417355e+04 nan 0.84 nan nan nan nan nan 2.503700311e+04 nan nan 3.742131038e+04 nan 0.86 nan nan nan nan nan 1.941549615e+04 nan nan 3.094118952e+04 nan 0.88 nan nan nan nan nan 1.452999398e+04 nan nan 2.504098506e+04 nan 0.90 nan nan nan nan nan 1.090412228e+04 nan nan 1.965744138e+04 nan 0.92 nan nan nan 7.907688309e+04 7.907753004e+04 8.234126497e+03 nan nan 1.490406924e+04 3.902272067e+04 0.94 nan 3.292484738e+04 nan 7.050813184e+04 7.050861258e+04 6.256264097e+03 3.423371174e+04 nan 1.130806818e+04 3.297998845e+04 0.96 nan 2.737959526e+04 nan 6.264306177e+04 6.264328387e+04 4.782609563e+03 2.860922591e+04 nan 8.626016281e+03 2.743407037e+04 0.98 nan 2.228077632e+04 nan 5.541112539e+04 5.541111051e+04 3.678414507e+03 2.343810341e+04 nan 6.614764893e+03 2.233496086e+04 1.00 nan 1.758455647e+04 nan 4.875017991e+04 4.875003636e+04 2.846475221e+03 1.867557097e+04 nan 5.098685527e+03 1.763864473e+04 1.02 nan 1.362992519e+04 nan 4.260477639e+04 4.260459208e+04 2.216127173e+03 1.450349018e+04 nan 3.950001801e+03 1.367851432e+04 1.04 nan 1.061092869e+04 2.921743611e+04 3.692561295e+04 3.692542254e+04 1.735868142e+03 1.129619115e+04 3.151347506e+04 3.075306657e+03 1.065472651e+04 1.06 3.166916412e+04 8.295620171e+03 2.439272670e+04 3.166936410e+04 3.166921352e+04 1.368142885e+03 8.835765267e+03 2.656012812e+04 2.406087771e+03 8.335403800e+03 1.08 2.679722291e+04 6.512124459e+03 1.992162903e+04 2.679755465e+04 2.679749572e+04 1.085220764e+03 6.939917858e+03 2.196937270e+04 1.891672324e+03 6.548545475e+03 1.10 2.227560900e+04 5.132535562e+03 1.583729828e+04 2.227585132e+04 2.227587648e+04 8.663352873e+02 5.472853002e+03 1.770878631e+04 1.494407551e+03 5.165988449e+03 1.12 1.807351971e+04 4.060923978e+03 1.255781349e+04 1.807355984e+04 1.807365184e+04 6.960435555e+02 4.332897369e+03 1.404523813e+04 1.186202816e+03 4.091796751e+03 1.14 1.439873770e+04 3.225194045e+03 9.993545113e+03 1.439866801e+04 1.439881114e+04 5.628132730e+02 3.443562066e+03 1.117946767e+04 9.460324884e+02 3.253801651e+03 1.16 1.150689772e+04 2.570817572e+03 7.980807208e+03 1.150687408e+04 1.150706414e+04 4.579814977e+02 2.747033886e+03 8.929717231e+03 7.580192241e+02 2.597464764e+03 1.18 9.227153837e+03 2.056474974e+03 6.395118979e+03 9.227215573e+03 9.227413522e+03 3.750123072e+02 2.199421138e+03 7.157151514e+03 6.101597481e+02 2.081501152e+03 1.20 7.423579164e+03 1.650667293e+03 5.141384911e+03 7.423709839e+03 7.423880646e+03 3.089558972e+02 1.767269815e+03 5.755502746e+03 4.933529624e+02 1.674364752e+03 1.22 5.991715269e+03 1.329304236e+03 4.146667489e+03 5.991872708e+03 5.991998708e+03 2.560474164e+02 1.424990797e+03 4.643259091e+03 4.006711602e+02 1.351885117e+03 1.24 4.851078965e+03 1.073901600e+03 3.354846769e+03 4.851221517e+03 4.851303945e+03 2.134713233e+02 1.152964099e+03 3.757643741e+03 3.268357257e+02 1.095492488e+03 1.26 3.939430499e+03 8.702165423e+02 2.722550994e+03 3.939541491e+03 3.939596474e+03 1.790854900e+02 9.360292363e+02 3.050135959e+03 2.678078892e+02 8.908681856e+02 1.28 3.208474784e+03 7.072172433e+02 2.215989232e+03 3.208545309e+03 3.208582845e+03 1.510970821e+02 7.624090699e+02 2.483100964e+03 2.203895569e+02 7.269511019e+02 1.30 2.620570446e+03 5.763321852e+02 1.808863333e+03 2.620606637e+03 2.620632746e+03 1.281365844e+02 6.229596140e+02 2.027230828e+03 1.821090917e+02 5.951755429e+02 1.32 2.146283255e+03 4.708884986e+02 1.480630461e+03 2.146300359e+03 2.146319590e+03 1.091568329e+02 5.105641543e+02 1.659616316e+03 1.510536424e+02 4.888783756e+02 1.34 1.762527315e+03 3.856747910e+02 1.215196425e+03 1.762538693e+03 1.762553490e+03 9.335541133e+01 4.196630349e+02 1.362290971e+03 1.257365152e+02 4.028465650e+02 1.36 1.451134309e+03 3.165996692e+02 9.999085905e+02 1.451143613e+03 1.451154020e+03 8.011139200e+01 3.459016345e+02 1.121132272e+03 1.050430524e+02 3.329845846e+02 1.38 1.197749790e+03 2.604368400e+02 8.247888756e+02 1.197754515e+03 1.197760051e+03 6.894062424e+01 2.858809300e+02 9.249674727e+02 8.806516122e+01 2.760603265e+02 1.40 9.909967468e+02 2.146352649e+02 6.819441895e+02 9.909940010e+02 9.909957050e+02 5.946449883e+01 2.369471556e+02 7.649458453e+02 7.405416642e+01 2.295161950e+02 1.42 8.218357179e+02 1.771752035e+02 5.651126729e+02 8.218270167e+02 8.218280972e+02 5.138541992e+01 1.969130633e+02 6.340432484e+02 6.242564635e+01 1.913336142e+02 1.44 6.831047522e+02 1.464555859e+02 4.693033752e+02 6.830970514e+02 6.831016157e+02 4.446549035e+01 1.640397719e+02 5.266996778e+02 5.272149787e+01 1.599963555e+02 1.46 5.690294680e+02 1.212015689e+02 3.905212780e+02 5.690295942e+02 5.690399755e+02 3.851012613e+01 1.369460905e+02 4.384427597e+02 4.457959645e+01 1.341926102e+02 1.48 4.749731983e+02 1.003896086e+02 3.255663478e+02 4.749836023e+02 4.749993994e+02 3.336234806e+01 1.145349396e+02 3.656828059e+02 3.771361473e+01 1.128491085e+02 1.50 3.972175286e+02 8.319413660e+01 2.718720440e+02 3.972375102e+02 3.972565373e+02 2.889677627e+01 9.593377510e+01 3.055414375e+02 3.189775148e+01 9.511569777e+01 1.52 3.327742541e+02 6.895098914e+01 2.273717282e+02 3.328010603e+02 3.328200778e+02 2.500981206e+01 8.044651393e+01 2.557049142e+02 2.695287036e+01 8.031717749e+01 1.54 2.792366540e+02 5.712582213e+01 1.903979450e+02 2.792651835e+02 2.792810187e+02 2.161521687e+01 6.751451717e+01 2.143077873e+02 2.273435865e+01 6.791658235e+01 1.56 2.346575010e+02 4.728718378e+01 1.596038341e+02 2.346820833e+02 2.346929065e+02 1.864174388e+01 5.668679154e+01 1.798397856e+02 1.912417097e+01 5.748312118e+01 1.58 1.974534361e+02 3.908703099e+01 1.339005410e+02 1.974702827e+02 1.974760379e+02 1.603112138e+01 4.759806494e+01 1.510745451e+02 1.602584606e+01 4.866879348e+01 1.60 1.663329742e+02 3.224231512e+01 1.124061029e+02 1.663404767e+02 1.663418834e+02 1.373616157e+01 3.994971567e+01 1.270138049e+02 1.336077235e+01 4.119343956e+01 1.62 1.402430782e+02 2.652063751e+01 9.440370543e+01 1.402405255e+02 1.402381090e+02 1.171876211e+01 3.351579970e+01 1.068456226e+02 1.106467735e+01 3.483293475e+01 1.64 1.183252214e+02 2.173450986e+01 7.930530175e+01 1.183123652e+02 1.183060813e+02 9.946373931e+00 2.810001866e+01 8.990729212e+01 9.091827870e+00 2.940622653e+01 1.66 9.987614919e+01 1.776124284e+01 6.662363449e+01 9.985381444e+01 9.984340116e+01 8.389190939e+00 2.352054233e+01 7.565415458e+01 7.410442480e+00 2.476417255e+01 1.68 8.431743594e+01 1.445659566e+01 5.595383260e+01 8.428785825e+01 8.427324950e+01 7.019726619e+00 1.963061680e+01 6.363775832e+01 5.971107405e+00 2.078349346e+01 1.70 7.117199993e+01 1.169268829e+01 4.695992933e+01 7.113860825e+01 7.112011886e+01 5.813437969e+00 1.631195863e+01 5.348823238e+01 4.732552120e+00 1.736248291e+01 1.72 6.004551348e+01 9.368512802e+00 3.936489786e+01 6.001189714e+01 5.999023730e+01 4.749991078e+00 1.346934380e+01 4.490034386e+01 3.661292034e+00 1.441746903e+01 1.74 5.061131743e+01 7.404276845e+00 3.294508567e+01 5.058077751e+01 5.055726125e+01 3.812615665e+00 1.102616275e+01 3.762206559e+01 2.731076669e+00 1.187878997e+01 1.76 4.259821148e+01 5.737221761e+00 2.754333868e+01 4.257376473e+01 4.255044274e+01 2.986329202e+00 8.920766152e+00 3.144548950e+01 1.921651385e+00 9.687832284e+00 1.78 3.578114554e+01 4.318741185e+00 2.298958510e+01 3.576550532e+01 3.574490550e+01 2.257477791e+00 7.103355311e+00 2.619892969e+01 1.217104650e+00 7.795464424e+00 1.80 2.997396467e+01 3.118639954e+00 1.913529980e+01 2.996912764e+01 2.995369456e+01 1.613938788e+00 5.533252573e+00 2.173959118e+01 6.047989992e-01 6.160701966e+00 1.82 2.502352093e+01 2.133448434e+00 1.585983379e+01 2.502967859e+01 2.502113324e+01 1.045304168e+00 4.176697399e+00 1.794801620e+01 7.419942851e-02 4.749345661e+00 1.84 2.080379930e+01 1.320820982e+00 1.306565641e+01 2.081860451e+01 2.081750026e+01 5.428623777e-01 3.005345844e+00 1.472281061e+01 -3.843765013e-01 3.532530060e+00 1.86 1.720742403e+01 6.426963433e-01 1.067439191e+01 1.722720169e+01 1.723320230e+01 9.936121704e-02 1.995125437e+00 1.197699491e+01 -7.801986701e-01 2.485534178e+00 1.88 1.414125863e+01 6.950294478e-02 8.623444348e+00 1.416270559e+01 1.417516688e+01 -2.912842483e-01 1.125412287e+00 9.636500371e+00 -1.121569363e+00 1.586918632e+00 1.90 1.152501824e+01 -4.213449227e-01 6.861817604e+00 1.154595622e+01 1.156410015e+01 -6.341478771e-01 3.821989338e-01 7.638918853e+00 -1.415624122e+00 8.177998507e-01 1.92 9.289887760e+00 -8.467395743e-01 5.347126264e+00 9.309429413e+00 9.332250624e+00 -9.333629430e-01 -2.428820160e-01 5.931907267e+00 -1.668688252e+00 1.612090261e-01 1.94 7.377211626e+00 -1.219016442e+00 4.043860491e+00 7.395667029e+00 7.421936324e+00 -1.192562670e+00 -7.681011037e-01 4.471783948e+00 -1.886416090e+00 -3.982578346e-01 1.96 5.737543021e+00 -1.547015738e+00 2.921029998e+00 5.755740126e+00 5.784019925e+00 -1.415724411e+00 -1.209292346e+00 3.248214826e+00 -2.073596262e+00 -8.742082055e-01 1.98 4.329886357e+00 -1.837097624e+00 1.951726286e+00 4.348455616e+00 4.377140046e+00 -1.607057684e+00 -1.579960792e+00 2.241623458e+00 -2.233984808e+00 -1.277871788e+00 2.00 3.120619673e+00 -2.093942290e+00 1.113046718e+00 3.139622098e+00 3.167067750e+00 -1.770707084e+00 -1.891506907e+00 1.406477542e+00 -2.370455185e+00 -1.618492298e+00 2.02 2.120145394e+00 -2.316337364e+00 4.112480934e-01 2.139124509e+00 2.163894402e+00 -1.897793311e+00 -2.140646876e+00 7.202402940e-01 -2.475802973e+00 -1.885370583e+00 2.04 1.320034205e+00 -2.505209202e+00 -1.596321024e-01 1.338342491e+00 1.359502436e+00 -1.986526386e+00 -2.330071689e+00 1.606445633e-01 -2.548414334e+00 -2.079114173e+00 2.06 6.725880969e-01 -2.666222653e+00 -6.311772366e-01 6.895173898e-01 7.066137142e-01 -2.048444399e+00 -2.475183282e+00 -3.025292103e-01 -2.597171725e+00 -2.221127859e+00 2.08 1.409694126e-01 -2.803611501e+00 -1.027056548e+00 1.557662447e-01 1.686369084e-01 -2.091422503e+00 -2.587391000e+00 -6.922631456e-01 -2.628696932e+00 -2.327912751e+00 2.10 -3.028817758e-01 -2.920608870e+00 -1.364436612e+00 -2.909620444e-01 -2.823114953e-01 -2.120960786e+00 -2.674860337e+00 -1.025979172e+00 -2.647975444e+00 -2.411639943e+00 2.12 -6.799663263e-01 -3.019568298e+00 -1.655550131e+00 -6.716272799e-01 -6.671123964e-01 -2.141315826e+00 -2.743351673e+00 -1.316593301e+00 -2.658498013e+00 -2.480705411e+00 2.14 -1.005610291e+00 -3.102531481e+00 -1.909098633e+00 -1.001488072e+00 -1.001028034e+00 -2.155915323e+00 -2.797218763e+00 -1.573317775e+00 -2.662282708e+00 -2.540277182e+00 2.16 -1.290544019e+00 -3.171408345e+00 -2.131273563e+00 -1.291210442e+00 -1.294827421e+00 -2.167412252e+00 -2.839819175e+00 -1.802368458e+00 -2.660141008e+00 -2.592811323e+00 2.18 -1.542274456e+00 -3.227894231e+00 -2.326503599e+00 -1.548167710e+00 -1.555986546e+00 -2.177422210e+00 -2.873659255e+00 -2.008041001e+00 -2.652679097e+00 -2.639051651e+00 2.20 -1.766763944e+00 -3.273596689e+00 -2.498021708e+00 -1.777939584e+00 -1.789966176e+00 -2.186678988e+00 -2.900473861e+00 -2.193604279e+00 -2.640788546e+00 -2.679493279e+00 2.22 -1.968788566e+00 -3.309991585e+00 -2.648293122e+00 -1.984792975e+00 -2.000759626e+00 -2.195332389e+00 -2.921492359e+00 -2.361559789e+00 -2.625729354e+00 -2.714631903e+00 2.24 -2.151976430e+00 -3.338375885e+00 -2.779316219e+00 -2.171898375e+00 -2.191222280e+00 -2.203193219e+00 -2.937711779e+00 -2.513766447e+00 -2.608858071e+00 -2.744932990e+00 2.26 -2.318904820e+00 -3.359850998e+00 -2.892814799e+00 -2.341537883e+00 -2.363354994e+00 -2.209977652e+00 -2.949964933e+00 -2.651605814e+00 -2.591096482e+00 -2.770826333e+00 2.28 -2.471321873e+00 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