# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2005--Lee-B-J-Wirth-B-D-Shim-J-H-et-al--Fe-Cu # implementation = 2005--Lee-B-J--Fe-Cu--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 Fe Fe Fe 0.02 1.066119302e+03 1.594789341e+03 1.093458968e+03 0.04 1.004671343e+03 1.501552128e+03 1.028796904e+03 0.06 9.466267788e+02 1.413114978e+03 9.682423750e+02 0.08 8.918022676e+02 1.329354864e+03 9.114399492e+02 0.10 8.400241260e+02 1.250120100e+03 8.580843707e+02 0.12 7.911278290e+02 1.175240210e+03 8.079109096e+02 0.14 7.449575364e+02 1.104533354e+03 7.606877392e+02 0.16 7.013656434e+02 1.037811865e+03 7.162099150e+02 0.18 6.602123541e+02 9.748863580e+02 6.742946143e+02 0.20 6.213652763e+02 9.155687247e+02 6.347773648e+02 0.22 5.846990374e+02 8.596742967e+02 5.975090558e+02 0.24 5.500949199e+02 8.070233651e+02 5.623535579e+02 0.26 5.174405149e+02 7.574422164e+02 5.291858267e+02 0.28 4.866293939e+02 7.107638020e+02 4.978903806e+02 0.30 4.575607973e+02 6.668281337e+02 4.683600773e+02 0.32 4.301393385e+02 6.254824742e+02 4.404951207e+02 0.34 4.042747234e+02 5.865813774e+02 4.142022511e+02 0.36 3.798814843e+02 5.499866189e+02 3.893940788e+02 0.38 3.568787272e+02 5.155670479e+02 3.659885301e+02 0.40 3.351898926e+02 4.831983849e+02 3.439083829e+02 0.42 3.147425278e+02 4.527629821e+02 3.230808721e+02 0.44 2.954680719e+02 4.241495617e+02 3.034373514e+02 0.46 2.773016506e+02 3.972529400e+02 2.849129996e+02 0.48 2.601818831e+02 3.719737465e+02 2.674465627e+02 0.50 2.440506976e+02 3.482181426e+02 2.509801247e+02 0.52 2.288531570e+02 3.258975448e+02 2.354589026e+02 0.54 2.145372936e+02 3.049283532e+02 2.208310605e+02 0.56 2.010539522e+02 2.852316895e+02 2.070475400e+02 0.58 1.883566414e+02 2.667331447e+02 1.940619039e+02 0.60 1.764013925e+02 2.493625365e+02 1.818301926e+02 0.62 1.651466258e+02 2.330536786e+02 1.703107893e+02 0.64 1.545530237e+02 2.177441600e+02 1.594642947e+02 0.66 1.445834110e+02 2.033751359e+02 1.492534100e+02 0.68 1.352026404e+02 1.898911291e+02 1.396428254e+02 0.70 1.263774848e+02 1.772398418e+02 1.305991169e+02 0.72 1.180765349e+02 1.653719770e+02 1.220906472e+02 0.74 1.102701022e+02 1.542410707e+02 1.140874730e+02 0.76 1.029301271e+02 1.438033318e+02 1.065612569e+02 0.78 9.603009146e+01 1.340174918e+02 9.948518391e+01 0.80 8.954493650e+01 1.248446627e+02 9.283388212e+01 0.82 8.345098414e+01 1.162482022e+02 8.658334795e+01 0.84 7.772586306e+01 1.081935871e+02 8.071087479e+01 0.86 7.234843838e+01 1.006482934e+02 7.519498539e+01 0.88 6.729874513e+01 9.358168304e+01 7.001536776e+01 0.90 6.255792515e+01 8.696489733e+01 6.515281418e+01 0.92 5.810816744e+01 8.077075594e+01 6.058916351e+01 0.94 5.393265149e+01 7.497366170e+01 5.630724618e+01 0.96 5.001549373e+01 6.954951081e+01 5.229083219e+01 0.98 4.634169677e+01 6.447560795e+01 4.852458157e+01 1.00 4.289710130e+01 5.973058617e+01 4.499399753e+01 1.02 3.966834061e+01 5.529433131e+01 4.168538186e+01 1.04 3.664279743e+01 5.114791060e+01 3.858579268e+01 1.06 3.380856312e+01 4.727350525e+01 3.568300429e+01 1.08 3.115439904e+01 4.365434681e+01 3.296546918e+01 1.10 2.866969995e+01 4.027465719e+01 3.042228187e+01 1.12 2.634445933e+01 3.711959182e+01 2.804314466e+01 1.14 2.416923663e+01 3.417518624e+01 2.581833519e+01 1.16 2.213512621e+01 3.142830549e+01 2.373867554e+01 1.18 2.023372795e+01 2.886659643e+01 2.179550313e+01 1.20 1.845711945e+01 2.647844272e+01 1.998064291e+01 1.22 1.679782971e+01 2.425292229e+01 1.828638111e+01 1.24 1.524881423e+01 2.217976725e+01 1.670544039e+01 1.26 1.380343142e+01 2.024932603e+01 1.523095615e+01 1.28 1.245542035e+01 1.845252763e+01 1.385645421e+01 1.30 1.119887958e+01 1.678084794e+01 1.257582957e+01 1.32 1.002824727e+01 1.522627798e+01 1.138332633e+01 1.34 8.938282279e+00 1.378129383e+01 1.027351860e+01 1.36 7.924046279e+00 1.243882843e+01 9.241292500e+00 1.38 6.980886889e+00 1.119224488e+01 8.281829042e+00 1.40 6.104421697e+00 1.003531136e+01 7.390587934e+00 1.42 5.290523137e+00 8.962177410e+00 6.563292230e+00 1.44 4.535304218e+00 7.967351649e+00 5.795913815e+00 1.46 3.835105001e+00 7.045680769e+00 5.084659634e+00 1.48 3.186479838e+00 6.192329752e+00 4.425958663e+00 1.50 2.586185294e+00 5.402763252e+00 3.816449582e+00 1.52 2.031168732e+00 4.672728049e+00 3.252969080e+00 1.54 1.518557540e+00 3.998236571e+00 2.732540820e+00 1.56 1.045648923e+00 3.375551328e+00 2.252364954e+00 1.58 6.099002960e-01 2.801170323e+00 1.809808243e+00 1.60 2.089201673e-01 2.271813251e+00 1.402394667e+00 1.62 -1.595404347e-01 1.784408561e+00 1.027796576e+00 1.64 -4.975960862e-01 1.336081226e+00 6.838262936e-01 1.66 -8.072346227e-01 9.241412390e-01 3.684281873e-01 1.68 -1.090324377e+00 5.460727649e-01 7.967116727e-02 1.70 -1.348621011e+00 1.995239022e-01 -1.842584110e-01 1.72 -1.583773965e+00 -1.177029714e-01 -4.250634518e-01 1.74 -1.797332553e+00 -4.076603263e-01 -6.443424650e-01 1.76 -1.990751715e+00 -6.722640905e-01 -8.435955548e-01 1.78 -2.165397460e+00 -9.133018082e-01 -1.024230092e+00 1.80 -2.322551998e+00 -1.132440338e+00 -1.187566060e+00 1.82 -2.463418601e+00 -1.331233160e+00 -1.334841117e+00 1.84 -2.589126198e+00 -1.511127277e+00 -1.467215371e+00 1.86 -2.700733716e+00 -1.673469776e+00 -1.585775893e+00 1.88 -2.799234188e+00 -1.819514027e+00 -1.691540977e+00 1.90 -2.885558643e+00 -1.950425583e+00 -1.785464161e+00 1.92 -2.960579784e+00 -2.067287772e+00 -1.868438020e+00 1.94 -3.025115463e+00 -2.171107012e+00 -1.941297753e+00 1.96 -3.079931974e+00 -2.262817867e+00 -2.004824559e+00 1.98 -3.125747156e+00 -2.343287858e+00 -2.059748820e+00 2.00 -3.163233334e+00 -2.413322056e+00 -2.106753111e+00 2.02 -3.193020083e+00 -2.473667458e+00 -2.146475023e+00 2.04 -3.215696845e+00 -2.525017184e+00 -2.179509840e+00 2.06 -3.231815382e+00 -2.568014489e+00 -2.206413038e+00 2.08 -3.241892089e+00 -2.603256618e+00 -2.227702661e+00 2.10 -3.246410168e+00 -2.631298504e+00 -2.243861538e+00 2.12 -3.245821659e+00 -2.652656322e+00 -2.255339376e+00 2.14 -3.240549352e+00 -2.667810890e+00 -2.262554726e+00 2.16 -3.230988569e+00 -2.677210917e+00 -2.265896828e+00 2.18 -3.217508833e+00 -2.681276090e+00 -2.265727344e+00 2.20 -3.200455427e+00 -2.680399970e+00 -2.262381982e+00 2.22 -3.180150852e+00 -2.674952689e+00 -2.256172022e+00 2.24 -3.156896181e+00 -2.665283406e+00 -2.247385734e+00 2.26 -3.130972333e+00 -2.651722517e+00 -2.236289719e+00 2.28 -3.102641258e+00 -2.634583576e+00 -2.223130152e+00 2.30 -3.072147051e+00 -2.614164920e+00 -2.208133946e+00 2.32 -3.039716986e+00 -2.590750988e+00 -2.191509839e+00 2.34 -3.005562503e+00 -2.564613334e+00 -2.173449408e+00 2.36 -2.969880120e+00 -2.536011355e+00 -2.154128015e+00 2.38 -2.932852305e+00 -2.505192751e+00 -2.133705685e+00 2.40 -2.894648295e+00 -2.472393763e+00 -2.112327935e+00 2.42 -2.855424874e+00 -2.437839233e+00 -2.090126539e+00 2.44 -2.815327112e+00 -2.401742539e+00 -2.067220254e+00 2.46 -2.774489064e+00 -2.364305459e+00 -2.043715496e+00 2.48 -2.733034443e+00 -2.325718015e+00 -2.019706990e+00 2.50 -2.691077258e+00 -2.286158343e+00 -1.995278380e+00 2.52 -2.648722425e+00 -2.245792627e+00 -1.970502830e+00 2.54 -2.606066348e+00 -2.204775127e+00 -1.945443598e+00 2.56 -2.563197478e+00 -2.163248314e+00 -1.920154617e+00 2.58 -2.520196842e+00 -2.121343116e+00 -1.894681067e+00 2.60 -2.477138553e+00 -2.079179284e+00 -1.869059969e+00 2.62 -2.434090290e+00 -2.036865843e+00 -1.843320796e+00 2.64 -2.391113758e+00 -1.994501635e+00 -1.817486102e+00 2.66 -2.348265121e+00 -1.952175916e+00 -1.791572206e+00 2.68 -2.305595413e+00 -1.909968990e+00 -1.765589897e+00 2.70 -2.263150925e+00 -1.867952860e+00 -1.739545194e+00 2.72 -2.220973570e+00 -1.826191872e+00 -1.713440151e+00 2.74 -2.179101221e+00 -1.784743345e+00 -1.687273700e+00 2.76 -2.137568031e+00 -1.743658163e+00 -1.661042530e+00 2.78 -2.096404727e+00 -1.702981331e+00 -1.634741998e+00 2.80 -2.055638885e+00 -1.662752489e+00 -1.608367038e+00 2.82 -2.015295184e+00 -1.623006380e+00 -1.581913072e+00 2.84 -1.975395634e+00 -1.583773276e+00 -1.555376873e+00 2.86 -1.935959798e+00 -1.545079368e+00 -1.528757376e+00 2.88 -1.897004982e+00 -1.506947117e+00 -1.502056394e+00 2.90 -1.858546414e+00 -1.469395576e+00 -1.475279210e+00 2.92 -1.820597413e+00 -1.432440684e+00 -1.448435033e+00 2.94 -1.783169529e+00 -1.396095540e+00 -1.421537276e+00 2.96 -1.746272688e+00 -1.360370644e+00 -1.394603656e+00 2.98 -1.709915307e+00 -1.325274139e+00 -1.367656104e+00 3.00 -1.674104413e+00 -1.290812015e+00 -1.340720481e+00 3.02 -1.638845741e+00 -1.256988313e+00 -1.313826135e+00 3.04 -1.604143831e+00 -1.223805309e+00 -1.287005290e+00 3.06 -1.570002114e+00 -1.191263681e+00 -1.260292329e+00 3.08 -1.536422990e+00 -1.159362671e+00 -1.233722991e+00 3.10 -1.503407905e+00 -1.128100228e+00 -1.207333529e+00 3.12 -1.470957416e+00 -1.097473148e+00 -1.181159871e+00 3.14 -1.439071257e+00 -1.067477196e+00 -1.155236824e+00 3.16 -1.407748400e+00 -1.038107220e+00 -1.129597366e+00 3.18 -1.376987113e+00 -1.009357262e+00 -1.104272030e+00 3.20 -1.346785008e+00 -9.812206529e-01 -1.079288431e+00 3.22 -1.317139101e+00 -9.536901036e-01 -1.054670926e+00 3.24 -1.288045852e+00 -9.267577874e-01 -1.030440414e+00 3.26 -1.259501216e+00 -9.004154166e-01 -1.006614275e+00 3.28 -1.231500687e+00 -8.746543121e-01 -9.832064244e-01 3.30 -1.204039338e+00 -8.494654671e-01 -9.602274778e-01 3.32 -1.177111863e+00 -8.248396062e-01 -9.376849901e-01 3.34 -1.150712612e+00 -8.007672384e-01 -9.155837551e-01 3.36 -1.124835632e+00 -7.772387062e-01 -8.939261376e-01 3.38 -1.099474695e+00 -7.542442307e-01 -8.727124190e-01 3.40 -1.074623335e+00 -7.317739523e-01 -8.519411361e-01 3.42 -1.050274876e+00 -7.098179679e-01 -8.316094004e-01 3.44 -1.026422459e+00 -6.883663653e-01 -8.117131863e-01 3.46 -1.003059072e+00 -6.674092544e-01 -7.922475831e-01 3.48 -9.801775716e-01 -6.469367956e-01 -7.732070070e-01 3.50 -9.577707074e-01 -6.269392261e-01 -7.545853759e-01 3.52 -9.358311423e-01 -6.074068837e-01 -7.363762472e-01 3.54 -9.143514721e-01 -5.883302290e-01 -7.185729259e-01 3.56 -8.933242436e-01 -5.696998653e-01 -7.011685460e-01 3.58 -8.727419707e-01 -5.515065580e-01 -6.841561310e-01 3.60 -8.525971495e-01 -5.337412512e-01 -6.675286391e-01 3.62 -8.328822717e-01 -5.163950844e-01 -6.512789963e-01 3.64 -8.135898370e-01 -4.994594074e-01 -6.354001208e-01 3.66 -7.947123644e-01 -4.829257945e-01 -6.198849416e-01 3.68 -7.762424018e-01 -4.667860581e-01 -6.047264132e-01 3.70 -7.581725358e-01 -4.510322613e-01 -5.899175273e-01 3.72 -7.404953990e-01 -4.356567300e-01 -5.754513226e-01 3.74 -7.232036779e-01 -4.206520646e-01 -5.613208929e-01 3.76 -7.062901193e-01 -4.060111515e-01 -5.475193947e-01 3.78 -6.897475359e-01 -3.917271731e-01 -5.340400532e-01 3.80 -6.735688117e-01 -3.777936185e-01 -5.208761681e-01 3.82 -6.577469063e-01 -3.642042927e-01 -5.080211184e-01 3.84 -6.422748591e-01 -3.509533260e-01 -4.954683668e-01 3.86 -6.271457928e-01 -3.380351816e-01 -4.832114632e-01 3.88 -6.123529164e-01 -3.254446632e-01 -4.712440482e-01 3.90 -5.978895280e-01 -3.131769205e-01 -4.595598559e-01 3.92 -5.823401066e-01 -3.004571599e-01 -4.469731656e-01 3.94 -5.479686084e-01 -2.778153725e-01 -4.187078978e-01 3.96 -4.499265749e-01 -2.225602813e-01 -3.384588700e-01 3.98 -2.374734509e-01 -1.128826647e-01 -1.712173698e-01 4.00 -2.707800142e-27 -1.112575177e-27 -1.515144828e-27 4.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 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