# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2003--Lee-B-J-Shim-J-H-Baskes-M-I--Cu # implementation = 2003--Lee-B-J--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 0.02 1.066119302e+03 0.04 1.004671343e+03 0.06 9.466267788e+02 0.08 8.918022676e+02 0.10 8.400241260e+02 0.12 7.911278290e+02 0.14 7.449575364e+02 0.16 7.013656434e+02 0.18 6.602123541e+02 0.20 6.213652763e+02 0.22 5.846990374e+02 0.24 5.500949199e+02 0.26 5.174405149e+02 0.28 4.866293939e+02 0.30 4.575607973e+02 0.32 4.301393385e+02 0.34 4.042747234e+02 0.36 3.798814843e+02 0.38 3.568787272e+02 0.40 3.351898926e+02 0.42 3.147425278e+02 0.44 2.954680719e+02 0.46 2.773016506e+02 0.48 2.601818831e+02 0.50 2.440506976e+02 0.52 2.288531570e+02 0.54 2.145372936e+02 0.56 2.010539522e+02 0.58 1.883566414e+02 0.60 1.764013925e+02 0.62 1.651466258e+02 0.64 1.545530237e+02 0.66 1.445834110e+02 0.68 1.352026404e+02 0.70 1.263774848e+02 0.72 1.180765349e+02 0.74 1.102701022e+02 0.76 1.029301271e+02 0.78 9.603009146e+01 0.80 8.954493650e+01 0.82 8.345098414e+01 0.84 7.772586306e+01 0.86 7.234843838e+01 0.88 6.729874513e+01 0.90 6.255792515e+01 0.92 5.810816744e+01 0.94 5.393265149e+01 0.96 5.001549373e+01 0.98 4.634169677e+01 1.00 4.289710130e+01 1.02 3.966834061e+01 1.04 3.664279743e+01 1.06 3.380856312e+01 1.08 3.115439904e+01 1.10 2.866969995e+01 1.12 2.634445933e+01 1.14 2.416923663e+01 1.16 2.213512621e+01 1.18 2.023372795e+01 1.20 1.845711945e+01 1.22 1.679782971e+01 1.24 1.524881423e+01 1.26 1.380343142e+01 1.28 1.245542035e+01 1.30 1.119887958e+01 1.32 1.002824727e+01 1.34 8.938282279e+00 1.36 7.924046279e+00 1.38 6.980886889e+00 1.40 6.104421697e+00 1.42 5.290523137e+00 1.44 4.535304218e+00 1.46 3.835105001e+00 1.48 3.186479838e+00 1.50 2.586185294e+00 1.52 2.031168732e+00 1.54 1.518557540e+00 1.56 1.045648923e+00 1.58 6.099002960e-01 1.60 2.089201673e-01 1.62 -1.595404347e-01 1.64 -4.975960862e-01 1.66 -8.072346227e-01 1.68 -1.090324377e+00 1.70 -1.348621011e+00 1.72 -1.583773965e+00 1.74 -1.797332553e+00 1.76 -1.990751715e+00 1.78 -2.165397460e+00 1.80 -2.322551998e+00 1.82 -2.463418601e+00 1.84 -2.589126198e+00 1.86 -2.700733716e+00 1.88 -2.799234188e+00 1.90 -2.885558643e+00 1.92 -2.960579784e+00 1.94 -3.025115463e+00 1.96 -3.079931974e+00 1.98 -3.125747156e+00 2.00 -3.163233334e+00 2.02 -3.193020083e+00 2.04 -3.215696845e+00 2.06 -3.231815382e+00 2.08 -3.241892089e+00 2.10 -3.246410168e+00 2.12 -3.245821659e+00 2.14 -3.240549352e+00 2.16 -3.230988569e+00 2.18 -3.217508833e+00 2.20 -3.200455427e+00 2.22 -3.180150852e+00 2.24 -3.156896181e+00 2.26 -3.130972333e+00 2.28 -3.102641258e+00 2.30 -3.072147051e+00 2.32 -3.039716986e+00 2.34 -3.005562503e+00 2.36 -2.969880120e+00 2.38 -2.932852305e+00 2.40 -2.894648295e+00 2.42 -2.855424874e+00 2.44 -2.815327112e+00 2.46 -2.774489064e+00 2.48 -2.733034443e+00 2.50 -2.691077258e+00 2.52 -2.648722425e+00 2.54 -2.606066348e+00 2.56 -2.563197478e+00 2.58 -2.520196842e+00 2.60 -2.477138553e+00 2.62 -2.434090290e+00 2.64 -2.391113758e+00 2.66 -2.348265121e+00 2.68 -2.305595413e+00 2.70 -2.263150925e+00 2.72 -2.220973570e+00 2.74 -2.179101221e+00 2.76 -2.137568031e+00 2.78 -2.096404727e+00 2.80 -2.055638885e+00 2.82 -2.015295184e+00 2.84 -1.975395634e+00 2.86 -1.935959798e+00 2.88 -1.897004982e+00 2.90 -1.858546414e+00 2.92 -1.820597413e+00 2.94 -1.783169529e+00 2.96 -1.746272688e+00 2.98 -1.709915307e+00 3.00 -1.674104413e+00 3.02 -1.638845741e+00 3.04 -1.604143831e+00 3.06 -1.570002114e+00 3.08 -1.536422990e+00 3.10 -1.503407905e+00 3.12 -1.470957416e+00 3.14 -1.439071257e+00 3.16 -1.407748400e+00 3.18 -1.376987113e+00 3.20 -1.346785008e+00 3.22 -1.317139101e+00 3.24 -1.288045852e+00 3.26 -1.259501216e+00 3.28 -1.231500687e+00 3.30 -1.204039338e+00 3.32 -1.177111863e+00 3.34 -1.150712612e+00 3.36 -1.124835632e+00 3.38 -1.099474695e+00 3.40 -1.074623335e+00 3.42 -1.050274876e+00 3.44 -1.026422459e+00 3.46 -1.003059072e+00 3.48 -9.801775716e-01 3.50 -9.577707074e-01 3.52 -9.358311423e-01 3.54 -9.143514721e-01 3.56 -8.933242436e-01 3.58 -8.727419707e-01 3.60 -8.525971495e-01 3.62 -8.328822717e-01 3.64 -8.135898370e-01 3.66 -7.947123644e-01 3.68 -7.762424018e-01 3.70 -7.581725358e-01 3.72 -7.404953990e-01 3.74 -7.232036779e-01 3.76 -7.062901193e-01 3.78 -6.897475359e-01 3.80 -6.735688117e-01 3.82 -6.577469063e-01 3.84 -6.422748591e-01 3.86 -6.271457928e-01 3.88 -6.123529164e-01 3.90 -5.978895280e-01 3.92 -5.823401066e-01 3.94 -5.479686084e-01 3.96 -4.499265749e-01 3.98 -2.374734509e-01 4.00 -2.707800142e-27 4.02 0.000000000e+00 4.04 0.000000000e+00 4.06 0.000000000e+00 4.08 0.000000000e+00 4.10 0.000000000e+00 4.12 0.000000000e+00 4.14 0.000000000e+00 4.16 0.000000000e+00 4.18 0.000000000e+00 4.20 0.000000000e+00 4.22 0.000000000e+00 4.24 0.000000000e+00 4.26 0.000000000e+00 4.28 0.000000000e+00 4.30 0.000000000e+00 4.32 0.000000000e+00 4.34 0.000000000e+00 4.36 0.000000000e+00 4.38 0.000000000e+00 4.40 0.000000000e+00 4.42 0.000000000e+00 4.44 0.000000000e+00 4.46 0.000000000e+00 4.48 0.000000000e+00 4.50 0.000000000e+00 4.52 0.000000000e+00 4.54 0.000000000e+00 4.56 0.000000000e+00 4.58 0.000000000e+00 4.60 0.000000000e+00 4.62 0.000000000e+00 4.64 0.000000000e+00 4.66 0.000000000e+00 4.68 0.000000000e+00 4.70 0.000000000e+00 4.72 0.000000000e+00 4.74 0.000000000e+00 4.76 0.000000000e+00 4.78 0.000000000e+00 4.80 0.000000000e+00 4.82 0.000000000e+00 4.84 0.000000000e+00 4.86 0.000000000e+00 4.88 0.000000000e+00 4.90 0.000000000e+00 4.92 0.000000000e+00 4.94 0.000000000e+00 4.96 0.000000000e+00 4.98 0.000000000e+00 5.00 0.000000000e+00 5.02 0.000000000e+00 5.04 0.000000000e+00 5.06 0.000000000e+00 5.08 0.000000000e+00 5.10 0.000000000e+00 5.12 0.000000000e+00 5.14 0.000000000e+00 5.16 0.000000000e+00 5.18 0.000000000e+00 5.20 0.000000000e+00 5.22 0.000000000e+00 5.24 0.000000000e+00 5.26 0.000000000e+00 5.28 0.000000000e+00 5.30 0.000000000e+00 5.32 0.000000000e+00 5.34 0.000000000e+00 5.36 0.000000000e+00 5.38 0.000000000e+00 5.40 0.000000000e+00 5.42 0.000000000e+00 5.44 0.000000000e+00 5.46 0.000000000e+00 5.48 0.000000000e+00 5.50 0.000000000e+00 5.52 0.000000000e+00 5.54 0.000000000e+00 5.56 0.000000000e+00 5.58 0.000000000e+00 5.60 0.000000000e+00 5.62 0.000000000e+00 5.64 0.000000000e+00 5.66 0.000000000e+00 5.68 0.000000000e+00 5.70 0.000000000e+00 5.72 0.000000000e+00 5.74 0.000000000e+00 5.76 0.000000000e+00 5.78 0.000000000e+00 5.80 0.000000000e+00 5.82 0.000000000e+00 5.84 0.000000000e+00 5.86 0.000000000e+00 5.88 0.000000000e+00 5.90 0.000000000e+00 5.92 0.000000000e+00 5.94 0.000000000e+00 5.96 0.000000000e+00 5.98 0.000000000e+00 6.00 0.000000000e+00 6.02 0.000000000e+00 6.04 0.000000000e+00 6.06 0.000000000e+00 6.08 0.000000000e+00 6.10 0.000000000e+00 6.12 0.000000000e+00 6.14 0.000000000e+00 6.16 0.000000000e+00 6.18 0.000000000e+00 6.20 0.000000000e+00 6.22 0.000000000e+00 6.24 0.000000000e+00 6.26 0.000000000e+00 6.28 0.000000000e+00 6.30 0.000000000e+00 6.32 0.000000000e+00 6.34 0.000000000e+00 6.36 0.000000000e+00 6.38 0.000000000e+00 6.40 0.000000000e+00 6.42 0.000000000e+00 6.44 0.000000000e+00 6.46 0.000000000e+00 6.48 0.000000000e+00 6.50 0.000000000e+00 6.52 0.000000000e+00 6.54 0.000000000e+00 6.56 0.000000000e+00 6.58 0.000000000e+00 6.60 0.000000000e+00 6.62 0.000000000e+00 6.64 0.000000000e+00 6.66 0.000000000e+00 6.68 0.000000000e+00 6.70 0.000000000e+00 6.72 0.000000000e+00 6.74 0.000000000e+00 6.76 0.000000000e+00 6.78 0.000000000e+00 6.80 0.000000000e+00 6.82 0.000000000e+00 6.84 0.000000000e+00 6.86 0.000000000e+00 6.88 0.000000000e+00 6.90 0.000000000e+00 6.92 0.000000000e+00 6.94 0.000000000e+00 6.96 0.000000000e+00 6.98 0.000000000e+00 7.00 0.000000000e+00 7.02 0.000000000e+00 7.04 0.000000000e+00 7.06 0.000000000e+00 7.08 0.000000000e+00 7.10 0.000000000e+00 7.12 0.000000000e+00 7.14 0.000000000e+00 7.16 0.000000000e+00 7.18 0.000000000e+00 7.20 0.000000000e+00 7.22 0.000000000e+00 7.24 0.000000000e+00 7.26 0.000000000e+00 7.28 0.000000000e+00 7.30 0.000000000e+00 7.32 0.000000000e+00 7.34 0.000000000e+00 7.36 0.000000000e+00 7.38 0.000000000e+00 7.40 0.000000000e+00 7.42 0.000000000e+00 7.44 0.000000000e+00 7.46 0.000000000e+00 7.48 0.000000000e+00 7.50 0.000000000e+00 7.52 0.000000000e+00 7.54 0.000000000e+00 7.56 0.000000000e+00 7.58 0.000000000e+00 7.60 0.000000000e+00 7.62 0.000000000e+00 7.64 0.000000000e+00 7.66 0.000000000e+00 7.68 0.000000000e+00 7.70 0.000000000e+00 7.72 0.000000000e+00 7.74 0.000000000e+00 7.76 0.000000000e+00 7.78 0.000000000e+00 7.80 0.000000000e+00 7.82 0.000000000e+00 7.84 0.000000000e+00 7.86 0.000000000e+00 7.88 0.000000000e+00 7.90 0.000000000e+00 7.92 0.000000000e+00 7.94 0.000000000e+00 7.96 0.000000000e+00 7.98 0.000000000e+00 8.00 0.000000000e+00 8.02 0.000000000e+00 8.04 0.000000000e+00 8.06 0.000000000e+00 8.08 0.000000000e+00 8.10 0.000000000e+00 8.12 0.000000000e+00 8.14 0.000000000e+00 8.16 0.000000000e+00 8.18 0.000000000e+00 8.20 0.000000000e+00 8.22 0.000000000e+00 8.24 0.000000000e+00 8.26 0.000000000e+00 8.28 0.000000000e+00 8.30 0.000000000e+00 8.32 0.000000000e+00 8.34 0.000000000e+00 8.36 0.000000000e+00 8.38 0.000000000e+00 8.40 0.000000000e+00 8.42 0.000000000e+00 8.44 0.000000000e+00 8.46 0.000000000e+00 8.48 0.000000000e+00 8.50 0.000000000e+00 8.52 0.000000000e+00 8.54 0.000000000e+00 8.56 0.000000000e+00 8.58 0.000000000e+00 8.60 0.000000000e+00 8.62 0.000000000e+00 8.64 0.000000000e+00 8.66 0.000000000e+00 8.68 0.000000000e+00 8.70 0.000000000e+00 8.72 0.000000000e+00 8.74 0.000000000e+00 8.76 0.000000000e+00 8.78 0.000000000e+00 8.80 0.000000000e+00 8.82 0.000000000e+00 8.84 0.000000000e+00 8.86 0.000000000e+00 8.88 0.000000000e+00 8.90 0.000000000e+00 8.92 0.000000000e+00 8.94 0.000000000e+00 8.96 0.000000000e+00 8.98 0.000000000e+00 9.00 0.000000000e+00 9.02 0.000000000e+00 9.04 0.000000000e+00 9.06 0.000000000e+00 9.08 0.000000000e+00 9.10 0.000000000e+00 9.12 0.000000000e+00 9.14 0.000000000e+00 9.16 0.000000000e+00 9.18 0.000000000e+00 9.20 0.000000000e+00 9.22 0.000000000e+00 9.24 0.000000000e+00 9.26 0.000000000e+00 9.28 0.000000000e+00 9.30 0.000000000e+00 9.32 0.000000000e+00 9.34 0.000000000e+00 9.36 0.000000000e+00 9.38 0.000000000e+00 9.40 0.000000000e+00 9.42 0.000000000e+00 9.44 0.000000000e+00 9.46 0.000000000e+00 9.48 0.000000000e+00 9.50 0.000000000e+00 9.52 0.000000000e+00 9.54 0.000000000e+00 9.56 0.000000000e+00 9.58 0.000000000e+00 9.60 0.000000000e+00 9.62 0.000000000e+00 9.64 0.000000000e+00 9.66 0.000000000e+00 9.68 0.000000000e+00 9.70 0.000000000e+00 9.72 0.000000000e+00 9.74 0.000000000e+00 9.76 0.000000000e+00 9.78 0.000000000e+00 9.80 0.000000000e+00 9.82 0.000000000e+00 9.84 0.000000000e+00 9.86 0.000000000e+00 9.88 0.000000000e+00 9.90 0.000000000e+00 9.92 0.000000000e+00 9.94 0.000000000e+00 9.96 0.000000000e+00 9.98 0.000000000e+00 10.00 0.000000000e+00