# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2015--Borovikov-V-Mendelev-M-I-King-A-H-LeSar-R--fictional-Cu-4 # implementation = 2015--Borovikov-V--fictional-Cu-4--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 4.183503419e+13 0.04 1.683503419e+13 0.06 8.501700860e+12 0.08 4.335034193e+12 0.10 5.550412452e+11 0.12 3.887461357e+04 0.14 2.945559574e+04 0.16 2.288993303e+04 0.18 1.814120796e+04 0.20 1.460757141e+04 0.22 1.191804092e+04 0.24 9.832900634e+03 0.26 8.191259190e+03 0.28 6.881724605e+03 0.30 5.825165174e+03 0.32 4.964139177e+03 0.34 4.256177157e+03 0.36 3.669379507e+03 0.38 3.179454032e+03 0.40 2.767676276e+03 0.42 2.419456894e+03 0.44 2.123317647e+03 0.46 1.870148134e+03 0.48 1.652658893e+03 0.50 1.464973991e+03 0.52 1.302324188e+03 0.54 1.160813543e+03 0.56 1.037240272e+03 0.58 9.289581059e+02 0.60 8.337681632e+02 0.62 7.498340226e+02 0.64 6.756145702e+02 0.66 6.098105652e+02 0.68 5.513218886e+02 0.70 4.992131473e+02 0.72 4.526858515e+02 0.74 4.110557981e+02 0.76 3.737345953e+02 0.78 3.402145039e+02 0.80 3.100559432e+02 0.82 2.828771501e+02 0.84 2.583455858e+02 0.86 2.361707665e+02 0.88 2.160982591e+02 0.90 1.979046336e+02 0.92 1.813932041e+02 0.94 1.663904247e+02 0.96 1.527428274e+02 0.98 1.403144131e+02 1.00 1.289844247e+02 1.02 1.185601929e+02 1.04 1.088878057e+02 1.06 9.991734173e+01 1.08 9.160201535e+01 1.10 8.389797732e+01 1.12 7.676413195e+01 1.14 7.016196610e+01 1.16 6.405538968e+01 1.18 5.841058659e+01 1.20 5.319587537e+01 1.22 4.838157891e+01 1.24 4.393990250e+01 1.26 3.984481965e+01 1.28 3.607196510e+01 1.30 3.259853454e+01 1.32 2.940319055e+01 1.34 2.646597431e+01 1.36 2.376822274e+01 1.38 2.129249058e+01 1.40 1.902247722e+01 1.42 1.694295783e+01 1.44 1.503971862e+01 1.46 1.329949585e+01 1.48 1.170991839e+01 1.50 1.025945367e+01 1.52 8.937356639e+00 1.54 7.733621771e+00 1.56 6.638937689e+00 1.58 5.644644434e+00 1.60 4.742693126e+00 1.62 3.925607905e+00 1.64 3.186450013e+00 1.66 2.518783891e+00 1.68 1.916645189e+00 1.70 1.374510567e+00 1.72 8.872691987e-01 1.74 4.501958840e-01 1.76 5.892568082e-02 1.78 -2.905700196e-01 1.80 -6.020060539e-01 1.82 -8.788047496e-01 1.84 -1.124115963e+00 1.86 -1.340835945e+00 1.88 -1.531625107e+00 1.90 -1.698924729e+00 1.92 -1.844972669e+00 1.94 -1.971818130e+00 1.96 -2.081335513e+00 1.98 -2.175237430e+00 2.00 -2.255086657e+00 2.02 -2.315424106e+00 2.04 -2.354748994e+00 2.06 -2.379131002e+00 2.08 -2.393132931e+00 2.10 -2.400103159e+00 2.12 -2.402426329e+00 2.14 -2.401736370e+00 2.16 -2.399095532e+00 2.18 -2.395142965e+00 2.20 -2.390216161e+00 2.22 -2.384448419e+00 2.24 -2.377845313e+00 2.26 -2.370342974e+00 2.28 -2.361850786e+00 2.30 -2.352280958e+00 2.32 -2.341567235e+00 2.34 -2.329674843e+00 2.36 -2.316603549e+00 2.38 -2.302385624e+00 2.40 -2.287080203e+00 2.42 -2.270765455e+00 2.44 -2.253529739e+00 2.46 -2.235462759e+00 2.48 -2.216647620e+00 2.50 -2.197154421e+00 2.52 -2.177035855e+00 2.54 -2.156325145e+00 2.56 -2.135036429e+00 2.58 -2.113167561e+00 2.60 -2.090705096e+00 2.62 -2.067631059e+00 2.64 -2.043930915e+00 2.66 -2.019601983e+00 2.68 -1.994661362e+00 2.70 -1.969152237e+00 2.72 -1.943147302e+00 2.74 -1.916747796e+00 2.76 -1.890076533e+00 2.78 -1.863263079e+00 2.80 -1.836419077e+00 2.82 -1.809606289e+00 2.84 -1.782846718e+00 2.86 -1.756157374e+00 2.88 -1.729554178e+00 2.90 -1.703052071e+00 2.92 -1.676665112e+00 2.94 -1.650406614e+00 2.96 -1.624289244e+00 2.98 -1.598325007e+00 3.00 -1.572525381e+00 3.02 -1.546901437e+00 3.04 -1.521463707e+00 3.06 -1.496222375e+00 3.08 -1.471187330e+00 3.10 -1.446367957e+00 3.12 -1.421773546e+00 3.14 -1.397412867e+00 3.16 -1.373294573e+00 3.18 -1.349426924e+00 3.20 -1.325817943e+00 3.22 -1.302475372e+00 3.24 -1.279406587e+00 3.26 -1.256618557e+00 3.28 -1.234117910e+00 3.30 -1.211910592e+00 3.32 -1.190002570e+00 3.34 -1.168398585e+00 3.36 -1.147103837e+00 3.38 -1.126122037e+00 3.40 -1.105457010e+00 3.42 -1.085112113e+00 3.44 -1.065089219e+00 3.46 -1.045391014e+00 3.48 -1.026018558e+00 3.50 -1.006972121e+00 3.52 -9.882528712e-01 3.54 -9.698598079e-01 3.56 -9.517911988e-01 3.58 -9.340464625e-01 3.60 -9.166234384e-01 3.62 -8.995175982e-01 3.64 -8.827261629e-01 3.66 -8.662468054e-01 3.68 -8.500728827e-01 3.70 -8.341981876e-01 3.72 -8.186183019e-01 3.74 -8.033293701e-01 3.76 -7.883217264e-01 3.78 -7.735861350e-01 3.80 -7.591165479e-01 3.82 -7.449077516e-01 3.84 -7.309536322e-01 3.86 -7.172371553e-01 3.88 -7.037491123e-01 3.90 -6.904835161e-01 3.92 -6.774351942e-01 3.94 -6.645996222e-01 3.96 -6.519602373e-01 3.98 -6.394905368e-01 4.00 -6.271884558e-01 4.02 -6.150528501e-01 4.04 -6.030828370e-01 4.06 -5.912777402e-01 4.08 -5.796370516e-01 4.10 -5.680138606e-01 4.12 -5.562811532e-01 4.14 -5.445657643e-01 4.16 -5.329744752e-01 4.18 -5.215946980e-01 4.20 -5.104970130e-01 4.22 -4.997374382e-01 4.24 -4.893594553e-01 4.26 -4.793958130e-01 4.28 -4.699875246e-01 4.30 -4.612183064e-01 4.32 -4.527795969e-01 4.34 -4.444107081e-01 4.36 -4.359046109e-01 4.38 -4.271007856e-01 4.40 -4.178788904e-01 4.42 -4.081531631e-01 4.44 -3.978674792e-01 4.46 -3.869909964e-01 4.48 -3.755143206e-01 4.50 -3.634461361e-01 4.52 -3.508102233e-01 4.54 -3.376425823e-01 4.56 -3.239241183e-01 4.58 -3.097453056e-01 4.60 -2.952994506e-01 4.62 -2.807510183e-01 4.64 -2.662387708e-01 4.66 -2.518785740e-01 4.68 -2.377658750e-01 4.70 -2.239778767e-01 4.72 -2.105754308e-01 4.74 -1.976046731e-01 4.76 -1.850984202e-01 4.78 -1.730773453e-01 4.80 -1.615509514e-01 4.82 -1.505187610e-01 4.84 -1.399753083e-01 4.86 -1.299146951e-01 4.88 -1.203308918e-01 4.90 -1.112176238e-01 4.92 -1.025682643e-01 4.94 -9.437573564e-02 4.96 -8.663242175e-02 4.98 -7.933009399e-02 5.00 -7.245985168e-02 5.02 -6.601207799e-02 5.04 -5.997641194e-02 5.06 -5.434173644e-02 5.08 -4.909618215e-02 5.10 -4.422714658e-02 5.12 -3.972132776e-02 5.14 -3.556477125e-02 5.16 -3.174292945e-02 5.18 -2.824073181e-02 5.20 -2.504266446e-02 5.22 -2.213285774e-02 5.24 -1.949517996e-02 5.26 -1.711333581e-02 5.28 -1.497096776e-02 5.30 -1.305175870e-02 5.32 -1.133953433e-02 5.34 -9.818363668e-03 5.36 -8.472656219e-03 5.38 -7.287254312e-03 5.40 -6.247519371e-03 5.42 -5.339410870e-03 5.44 -4.549556897e-03 5.46 -3.865315371e-03 5.48 -3.274825120e-03 5.50 -2.767046160e-03 5.52 -2.331788682e-03 5.54 -1.959730434e-03 5.56 -1.642422349e-03 5.58 -1.372282464e-03 5.60 -1.142578332e-03 5.62 -9.473983730e-04 5.64 -7.816127527e-04 5.66 -6.408246054e-04 5.68 -5.213126178e-04 5.70 -4.199661860e-04 5.72 -3.342145726e-04 5.74 -2.619516975e-04 5.76 -2.014584060e-04 5.78 -1.513242713e-04 5.80 -1.103712000e-04 5.82 -7.758132456e-05 5.84 -5.203188116e-05 5.86 -3.283998506e-05 5.88 -1.912043350e-05 5.90 -9.959880642e-06 5.92 -4.410945516e-06 5.94 -1.510030673e-06 5.96 -3.228451919e-07 5.98 -2.184251711e-08 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 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