# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2005--Lee-B-J-Lee-J-W--C # implementation = 2005--Lee-B-J--C--LAMMPS--ipr1 # composition = C # 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 2.301565714e+02 nan nan nan nan 0.56 nan nan nan nan nan 2.107514544e+02 nan nan 1.041369040e+03 nan 0.58 nan nan nan nan nan 1.927862107e+02 nan nan 9.537563689e+02 nan 0.60 nan nan nan nan nan 1.761610702e+02 nan nan 8.730652601e+02 nan 0.62 nan 2.358875349e+03 nan nan nan 1.607828864e+02 1.110119840e+03 nan 7.987752690e+02 1.266465198e+03 0.64 nan 2.164492066e+03 nan nan nan 1.465647095e+02 1.024460027e+03 nan 7.304036199e+02 1.171948070e+03 0.66 nan 1.985340978e+03 nan nan nan 1.334253864e+02 9.449623271e+02 nan 6.675025263e+02 1.083998300e+03 0.68 2.364076306e+03 1.820285901e+03 1.824203168e+03 2.348273677e+03 2.332471048e+03 1.212891857e+02 8.712089665e+02 2.244531428e+03 6.096567052e+02 1.002187238e+03 0.70 2.192611642e+03 1.668271331e+03 1.686654500e+03 2.178104987e+03 2.163598331e+03 1.100854467e+02 8.028091654e+02 2.078105928e+03 5.564810719e+02 9.261127591e+02 0.72 2.032902990e+03 1.528316935e+03 1.558903413e+03 2.019587631e+03 2.006272271e+03 9.974825042e+01 7.393974294e+02 1.923345839e+03 5.076186003e+02 8.553976669e+02 0.74 1.884187129e+03 1.399512426e+03 1.440288090e+03 1.871966741e+03 1.859746352e+03 9.021611150e+01 6.806319524e+02 1.779476899e+03 4.627383364e+02 7.896882001e+02 0.76 1.745747890e+03 1.281012774e+03 1.330189243e+03 1.734533843e+03 1.723319795e+03 8.143168995e+01 6.261931248e+02 1.645773616e+03 4.215335536e+02 7.286526290e+02 0.78 1.616913360e+03 1.172033748e+03 1.228027473e+03 1.606624108e+03 1.596334856e+03 7.334152077e+01 5.757821377e+02 1.521556315e+03 3.837200384e+02 6.719799356e+02 0.80 1.497053251e+03 1.071847750e+03 1.133260799e+03 1.487613773e+03 1.478174295e+03 6.589576111e+01 5.291196766e+02 1.406188355e+03 3.490344976e+02 6.193785750e+02 0.82 1.385576423e+03 9.797799287e+02 1.045382345e+03 1.376917705e+03 1.368258987e+03 5.904795334e+01 4.859446992e+02 1.299073523e+03 3.172330771e+02 5.705753096e+02 0.84 1.281928559e+03 8.952045570e+02 9.639181591e+02 1.273987119e+03 1.266045680e+03 5.275480333e+01 4.460132901e+02 1.199653579e+03 2.880899848e+02 5.253141144e+02 0.86 1.185589976e+03 8.175416412e+02 8.884251738e+02 1.178307426e+03 1.171024876e+03 4.697597288e+01 4.090975873e+02 1.107405952e+03 2.613962089e+02 4.833551461e+02 0.88 1.096073565e+03 7.462537619e+02 8.184892898e+02 1.089396204e+03 1.082718842e+03 4.167388539e+01 3.749847764e+02 1.021841576e+03 2.369583260e+02 4.444737741e+02 0.90 1.012922849e+03 6.808431208e+02 7.537235740e+02 1.006801292e+03 1.000679735e+03 3.681354394e+01 3.434761474e+02 9.425028489e+02 2.145973912e+02 4.084596681e+02 0.92 9.357101575e+02 6.208487836e+02 6.937665689e+02 9.300989947e+02 9.244878318e+02 3.236236116e+01 3.143862090e+02 8.689617178e+02 1.941479058e+02 3.751159398e+02 0.94 8.640349091e+02 5.658441050e+02 6.382807035e+02 8.588923863e+02 8.537498634e+02 2.828999988e+01 2.875418581e+02 8.008178771e+02 1.754568552e+02 3.442583345e+02 0.96 7.975219878e+02 5.154343243e+02 5.869507999e+02 7.928097172e+02 7.880974465e+02 2.456822407e+01 2.627816001e+02 7.376970706e+02 1.583828141e+02 3.157144697e+02 0.98 7.358202185e+02 4.692543192e+02 5.394826700e+02 7.315029100e+02 7.271856016e+02 2.117075945e+01 2.399548163e+02 6.792494960e+02 1.427951129e+02 2.893231181e+02 1.00 6.786009281e+02 4.269665097e+02 4.956017970e+02 6.746461425e+02 6.706913570e+02 1.807316294e+01 2.189210760e+02 6.251483016e+02 1.285730616e+02 2.649335326e+02 1.02 6.255565901e+02 3.882589005e+02 4.550520950e+02 6.219345115e+02 6.183124329e+02 1.525270069e+01 1.995494906e+02 5.750881721e+02 1.156052271e+02 2.424048094e+02 1.04 5.763995473e+02 3.528432536e+02 4.175947442e+02 5.730827732e+02 5.697659992e+02 1.268823386e+01 1.817181064e+02 5.287839970e+02 1.037887610e+02 2.216052889e+02 1.06 5.308608071e+02 3.204533839e+02 3.830070949e+02 5.278241560e+02 5.247875049e+02 1.036011192e+01 1.653133340e+02 4.859696171e+02 9.302877263e+01 2.024119903e+02 1.08 4.886889068e+02 2.908435684e+02 3.510816379e+02 4.859092401e+02 4.831295734e+02 8.250072755e+00 1.502294127e+02 4.463966439e+02 8.323774688e+01 1.847100794e+02 1.10 4.496488437e+02 2.637870621e+02 3.216250368e+02 4.471049022e+02 4.445609607e+02 6.341149348e+00 1.363679065e+02 4.098333492e+02 7.433500137e+01 1.683923669e+02 1.12 4.135210663e+02 2.390747158e+02 2.944572181e+02 4.111933197e+02 4.088655730e+02 4.617582484e+00 1.236372310e+02 3.760636184e+02 6.624618192e+01 1.533588352e+02 1.14 3.801005241e+02 2.165136858e+02 2.694105161e+02 3.779710319e+02 3.758415398e+02 3.064739149e+00 1.119522086e+02 3.448859668e+02 5.890279303e+01 1.395161933e+02 1.16 3.491957715e+02 1.959262338e+02 2.463288701e+02 3.472480558e+02 3.453003401e+02 1.669036265e+00 1.012336511e+02 3.161126124e+02 5.224176141e+01 1.267774568e+02 1.18 3.206281236e+02 1.771486075e+02 2.250670692e+02 3.188470513e+02 3.170659789e+02 4.178694157e-01 9.140796697e+01 2.895686044e+02 4.620503000e+01 1.150615523e+02 1.20 2.942308610e+02 1.600299998e+02 2.054900440e+02 2.926025353e+02 2.909742095e+02 -7.004537903e-01 8.240679313e+01 2.650910025e+02 4.073918084e+01 1.042929452e+02 1.22 2.698484798e+02 1.444315792e+02 1.874722006e+02 2.683601412e+02 2.668718026e+02 -1.696775943e+00 7.416664874e+01 2.425281055e+02 3.579508451e+01 9.440128844e+01 1.24 2.473359866e+02 1.302255893e+02 1.708967960e+02 2.459759208e+02 2.446158550e+02 -2.581147999e+00 6.662861053e+01 2.217387254e+02 3.132757466e+01 8.532109250e+01 1.26 2.265582332e+02 1.172945102e+02 1.556553513e+02 2.253156869e+02 2.240731406e+02 -3.362883604e+00 5.973800794e+01 2.025915052e+02 2.729514577e+01 7.699141426e+01 1.28 2.073892913e+02 1.055302802e+02 1.416471016e+02 2.062543945e+02 2.051194977e+02 -4.050609832e+00 5.344413717e+01 1.849642776e+02 2.365967261e+01 6.935556440e+01 1.30 1.897118631e+02 9.483357302e+01 1.287784797e+02 1.886755577e+02 1.876392523e+02 -4.652314578e+00 4.769999297e+01 1.687434622e+02 2.038615004e+01 6.236083200e+01 1.32 1.734167276e+02 8.511312579e+01 1.169626319e+02 1.724707017e+02 1.715246757e+02 -5.175390804e+00 4.246201716e+01 1.538234995e+02 1.744245164e+01 5.595822556e+01 1.34 1.584022190e+02 7.628511671e+01 1.061189645e+02 1.575388463e+02 1.566754735e+02 -5.626677858e+00 3.768986298e+01 1.401063194e+02 1.479910598e+01 5.010222953e+01 1.36 1.445737368e+02 6.827258718e+01 9.617271847e+01 1.437860210e+02 1.429983052e+02 -6.012500038e+00 3.334617428e+01 1.275008422e+02 1.242908930e+01 4.475057542e+01 1.38 1.318432848e+02 6.100490631e+01 8.705457114e+01 1.311248086e+02 1.304063324e+02 -6.338702591e+00 2.939637873e+01 1.159225104e+02 1.030763347e+01 3.986402673e+01 1.40 1.201290384e+02 5.441727484e+01 7.870026323e+01 1.194739161e+02 1.188187939e+02 -6.610685308e+00 2.580849425e+01 1.052928495e+02 8.412048159e+00 3.540617698e+01 1.42 1.093549375e+02 4.845026569e+01 7.105024975e+01 1.087577721e+02 1.081606067e+02 -6.833433870e+00 2.255294789e+01 9.553905623e+01 6.721556331e+00 3.134326013e+01 1.44 9.945030499e+01 4.304939874e+01 6.404937341e+01 9.890614806e+01 9.836199114e+01 -7.011549091e+00 1.960240640e+01 8.659361272e+01 5.217141965e+00 2.764397256e+01 1.46 9.034948822e+01 3.816474739e+01 5.764655904e+01 8.985380332e+01 8.935811842e+01 -7.149274201e+00 1.693161780e+01 7.839392481e+01 3.881409293e+00 2.427930619e+01 1.48 8.199152251e+01 3.375057477e+01 5.179452805e+01 8.154015158e+01 8.108878066e+01 -7.250520279e+00 1.451726344e+01 7.088198355e+01 2.698452676e+00 2.122239193e+01 1.50 7.431981582e+01 2.976499757e+01 4.644953143e+01 7.390894822e+01 7.349808063e+01 -7.318889985e+00 1.233781966e+01 6.400404826e+01 1.653736374e+00 1.844835298e+01 1.52 6.728185304e+01 2.616967538e+01 4.157110043e+01 6.690799708e+01 6.653414111e+01 -7.357699672e+00 1.037342871e+01 5.771034999e+01 7.339835056e-01 1.593416739e+01 1.54 6.082891888e+01 2.292952387e+01 3.712181372e+01 6.048887561e+01 6.014883234e+01 -7.370000000e+00 8.605778289e+00 5.195481418e+01 -7.292646142e-02 1.365853937e+01 1.56 5.491583825e+01 2.001245008e+01 3.306708004e+01 5.460667745e+01 5.429751666e+01 -7.358595153e+00 7.017989174e+00 4.669480137e+01 -7.780523081e-01 1.160177879e+01 1.58 4.950073321e+01 1.738910822e+01 2.937493541e+01 4.921977129e+01 4.893880936e+01 -7.326060737e+00 5.594510405e+00 4.189086498e+01 -1.391478320e+00 9.745688553e+00 1.60 4.454479551e+01 1.503267440e+01 2.601585404e+01 4.428957514e+01 4.403435477e+01 -7.274760462e+00 4.321021659e+00 3.750652493e+01 -1.922394745e+00 8.073459125e+00 1.62 4.001207374e+01 1.291863911e+01 2.296257200e+01 3.978034523e+01 3.954861673e+01 -7.206861674e+00 3.184342274e+00 3.350805647e+01 -2.379171945e+00 6.569570085e+00 1.64 3.586927429e+01 1.102461591e+01 2.018992290e+01 3.565897843e+01 3.544868257e+01 -7.124349816e+00 2.172346564e+00 2.986429291e+01 -2.769428716e+00 5.219698071e+00 1.66 3.208557535e+01 9.330165305e+00 1.767468487e+01 3.189482762e+01 3.170407988e+01 -7.029041902e+00 1.273884991e+00 2.654644177e+01 -3.100095203e+00 4.010630841e+00 1.68 2.863245305e+01 7.816632592e+00 1.539543803e+01 2.845952915e+01 2.828660525e+01 -6.922599047e+00 4.787108438e-01 2.352791322e+01 -3.377470816e+00 2.930187060e+00 1.70 2.548351909e+01 6.466998616e+00 1.333243186e+01 2.532684165e+01 2.517016422e+01 -6.806538133e+00 -2.225879336e-01 2.078416027e+01 -3.607277528e+00 1.967141452e+00 1.72 2.261436917e+01 5.265742518e+00 1.146746174e+01 2.247249555e+01 2.233062192e+01 -6.682242663e+00 -8.386521072e-01 1.829252987e+01 -3.794708895e+00 1.111155019e+00 1.74 2.000244154e+01 4.198715517e+00 9.783754247e+00 1.987405256e+01 1.974566358e+01 -6.550972854e+00 -1.377410009e+00 1.603212416e+01 -3.944475135e+00 3.527099806e-01 1.76 1.762688502e+01 3.253024898e+00 8.265860358e+00 1.751077471e+01 1.739466440e+01 -6.413875026e+00 -1.846132193e+00 1.398367144e+01 -4.060844552e+00 -3.169508318e-01 1.78 1.546843595e+01 2.416927414e+00 6.899556336e+00 1.536350207e+01 1.525856819e+01 -6.271990327e+00 -2.251482160e+00 1.212940600e+01 -4.147681598e+00 -9.058804151e-01 1.80 1.350930353e+01 1.679731380e+00 5.671751577e+00 1.341453887e+01 1.331977421e+01 -6.126262843e+00 -2.599563418e+00 1.045295641e+01 -4.208481830e+00 -1.421480133e+00 1.82 1.173306288e+01 1.031706785e+00 4.570403063e+00 1.164754733e+01 1.156203178e+01 -5.977547137e+00 -2.895963121e+00 8.939241634e+00 -4.246404001e+00 -1.870548598e+00 1.84 1.012455558e+01 4.640027798e-01 3.584435935e+00 1.004744877e+01 9.970341959e+00 -5.826615249e+00 -3.145792515e+00 7.574374452e+00 -4.264299500e+00 -2.259327131e+00 1.86 8.669796934e+00 -3.142802184e-02 2.703669801e+00 8.600331554e+00 8.530866174e+00 -5.674163194e+00 -3.353724421e+00 6.345571791e+00 -4.264739366e+00 -2.593542021e+00 1.88 7.355889780e+00 -4.618989765e-01 1.918750361e+00 7.293365398e+00 7.230841017e+00 -5.520816998e+00 -3.524027937e+00 5.241071407e+00 -4.250039055e+00 -2.878443787e+00 1.90 6.170944207e+00 -8.340530757e-01 1.221086017e+00 6.114721627e+00 6.058499046e+00 -5.367138301e+00 -3.660600570e+00 4.250054549e+00 -4.222281131e+00 -3.118843653e+00 1.92 5.104002953e+00 -1.153921299e+00 6.027891024e-01 5.053499024e+00 5.002995095e+00 -5.213629550e+00 -3.766997966e+00 3.362574197e+00 -4.183336068e+00 -3.319147398e+00 1.94 4.144972027e+00 -1.426976085e+00 5.662142587e-02 4.099654891e+00 4.054337755e+00 -5.060738818e+00 -3.846461407e+00 2.569488482e+00 -4.134881284e+00 -3.483386779e+00 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