# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2003--Los-J-H-Fasolino-A--C # implementation = 2003--Los-J-H--C--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 C C 0.02 1.485516925e+04 0.04 1.297361586e+04 0.06 1.132794252e+04 0.08 9.888801409e+03 0.10 8.630473650e+03 0.12 7.530422884e+03 0.14 6.568903553e+03 0.16 5.728617172e+03 0.18 4.994410735e+03 0.20 4.353012124e+03 0.22 3.792797983e+03 0.24 3.303590109e+03 0.26 2.876476854e+03 0.28 2.503656486e+03 0.30 2.178299831e+03 0.32 1.894429806e+03 0.34 1.646815810e+03 0.36 1.430881124e+03 0.38 1.242621729e+03 0.40 1.078535153e+03 0.42 9.355580985e+02 0.44 8.110117871e+02 0.46 7.025540562e+02 0.48 6.081373916e+02 0.50 5.259721556e+02 0.52 4.544943753e+02 0.54 3.923375261e+02 0.56 3.383078201e+02 0.58 2.913625645e+02 0.60 2.505912119e+02 0.62 2.151987699e+02 0.64 1.844912773e+02 0.66 1.578630917e+02 0.68 1.347857638e+02 0.70 1.147983019e+02 0.72 9.749865333e+01 0.74 8.253625343e+01 0.76 6.960550696e+01 0.78 5.844008798e+01 0.80 4.880795534e+01 0.82 4.050699470e+01 0.84 3.336120919e+01 0.86 2.721738990e+01 0.88 2.194220651e+01 0.90 1.741966530e+01 0.92 1.354888866e+01 0.94 1.024217578e+01 0.96 7.423309201e+00 0.98 5.026076398e+00 1.00 2.992979317e+00 1.02 1.274108224e+00 1.04 -1.738408483e-01 1.06 -1.388423169e+00 1.08 -2.402192761e+00 1.10 -3.243354081e+00 1.12 -3.936330082e+00 1.14 -4.502257241e+00 1.16 -4.959416841e+00 1.18 -5.323610614e+00 1.20 -5.608487822e+00 1.22 -5.825829980e+00 1.24 -5.985798627e+00 1.26 -6.097150876e+00 1.28 -6.167426867e+00 1.30 -6.203112736e+00 1.32 -6.209782249e+00 1.34 -6.192219836e+00 1.36 -6.154527448e+00 1.38 -6.100217310e+00 1.40 -6.032292404e+00 1.42 -5.953316279e+00 1.44 -5.865473567e+00 1.46 -5.770622426e+00 1.48 -5.670339961e+00 1.50 -5.565961540e+00 1.52 -5.458614815e+00 1.54 -5.349249133e+00 1.56 -5.238660958e+00 1.58 -5.127515820e+00 1.60 -5.016367266e+00 1.62 -4.905673192e+00 1.64 -4.795809928e+00 1.66 -4.687084364e+00 1.68 -4.579744376e+00 1.70 -4.473987799e+00 1.72 -4.369434842e+00 1.74 -4.263659400e+00 1.76 -4.154011740e+00 1.78 -4.038153216e+00 1.80 -3.914018464e+00 1.82 -3.779776283e+00 1.84 -3.633790699e+00 1.86 -3.474583957e+00 1.88 -3.300803598e+00 1.90 -3.111196758e+00 1.92 -2.904596497e+00 1.94 -2.679928047e+00 1.96 -2.436248273e+00 1.98 -2.172841142e+00 2.00 -1.889408844e+00 2.02 -1.586427708e+00 2.04 -1.265789121e+00 2.06 -9.319290150e-01 2.08 -5.937636104e-01 2.10 -2.678010236e-01 2.12 1.774853015e-02 2.14 2.215031941e-01 2.16 3.066516434e-01 2.18 3.019724389e-01 2.20 2.836345433e-01 2.22 2.663092891e-01 2.24 2.499679528e-01 2.26 2.345566651e-01 2.28 2.200244557e-01 2.30 2.063230986e-01 2.32 1.934069660e-01 2.34 1.812328890e-01 2.36 1.697600268e-01 2.38 1.589497421e-01 2.40 1.487654833e-01 2.42 1.391726730e-01 2.44 1.301386027e-01 2.46 1.216323326e-01 2.48 1.136245970e-01 2.50 1.060877150e-01 2.52 9.899550522e-02 2.54 9.232320585e-02 2.56 8.604739847e-02 2.58 8.014593613e-02 2.60 7.459787514e-02 2.62 6.938341061e-02 2.64 6.448381532e-02 2.66 5.988138193e-02 2.68 5.555936821e-02 2.70 5.150194521e-02 2.72 4.769414824e-02 2.74 4.412183034e-02 2.76 4.077161838e-02 2.78 3.763087142e-02 2.80 3.468764127e-02 2.82 3.193063523e-02 2.84 2.934918076e-02 2.86 2.693319206e-02 2.88 2.467313841e-02 2.90 2.256001427e-02 2.92 2.058531087e-02 2.94 1.874098942e-02 2.96 1.701945571e-02 2.98 1.541353601e-02 3.00 1.391645442e-02 3.02 1.252181122e-02 3.04 1.122356257e-02 3.06 1.001600118e-02 3.08 8.893738059e-03 3.10 7.851685216e-03 3.12 6.885039337e-03 3.14 5.989266284e-03 3.16 5.160086455e-03 3.18 4.393460922e-03 3.20 3.685578313e-03 3.22 3.032842396e-03 3.24 2.431860338e-03 3.26 1.879431585e-03 3.28 1.372537349e-03 3.30 9.083306510e-04 3.32 4.841269116e-04 3.34 9.739503665e-05 3.36 -2.542510095e-04 3.38 -5.730601793e-04 3.40 -8.611518866e-04 3.42 -1.120523144e-03 3.44 -1.353055317e-03 3.46 -1.560520508e-03 3.48 -1.744587602e-03 3.50 -1.906827983e-03 3.52 -2.048720935e-03 3.54 -2.171658763e-03 3.56 -2.276951624e-03 3.58 -2.365832102e-03 3.60 -2.439459538e-03 3.62 -2.498924117e-03 3.64 -2.545250740e-03 3.66 -2.579402681e-03 3.68 -2.602285046e-03 3.70 -2.614748047e-03 3.72 -2.617590543e-03 3.74 -2.611664616e-03 3.76 -2.597984405e-03 3.78 -2.577501456e-03 3.80 -2.551077982e-03 3.82 -2.519494527e-03 3.84 -2.483457000e-03 3.86 -2.443603118e-03 3.88 -2.400508328e-03 3.90 -2.354691229e-03 3.92 -2.306618547e-03 3.94 -2.256709692e-03 3.96 -2.205340941e-03 3.98 -2.152849269e-03 4.00 -2.099535852e-03 4.02 -2.045669285e-03 4.04 -1.991488526e-03 4.06 -1.937205591e-03 4.08 -1.883008016e-03 4.10 -1.829061122e-03 4.12 -1.775510072e-03 4.14 -1.722481766e-03 4.16 -1.670086565e-03 4.18 -1.618419869e-03 4.20 -1.567563558e-03 4.22 -1.517587311e-03 4.24 -1.468549810e-03 4.26 -1.420499830e-03 4.28 -1.373477248e-03 4.30 -1.327513952e-03 4.32 -1.282634670e-03 4.34 -1.238857732e-03 4.36 -1.196195759e-03 4.38 -1.154656287e-03 4.40 -1.114242339e-03 4.42 -1.074952945e-03 4.44 -1.036783611e-03 4.46 -9.997267445e-04 4.48 -9.637720448e-04 4.50 -9.289068503e-04 4.52 -8.951164570e-04 4.54 -8.623844049e-04 4.56 -8.306927365e-04 4.58 -8.000222302e-04 4.60 -7.703526107e-04 4.62 -7.416627373e-04 4.64 -7.139307737e-04 4.66 -6.871343406e-04 4.68 -6.612506506e-04 4.70 -6.362566306e-04 4.72 -6.121290294e-04 4.74 -5.888445136e-04 4.76 -5.663797532e-04 4.78 -5.447114963e-04 4.80 -5.238166351e-04 4.82 -5.036722641e-04 4.84 -4.842557302e-04 4.86 -4.655446768e-04 4.88 -4.475170810e-04 4.90 -4.301512861e-04 4.92 -4.134260288e-04 4.94 -3.973204617e-04 4.96 -3.818141723e-04 4.98 -3.668871980e-04 5.00 -3.525200382e-04 5.02 -3.386936632e-04 5.04 -3.253895206e-04 5.06 -3.125895395e-04 5.08 -3.002761328e-04 5.10 -2.884321973e-04 5.12 -2.770411122e-04 5.14 -2.660867370e-04 5.16 -2.555534069e-04 5.18 -2.454259280e-04 5.20 -2.356895718e-04 5.22 -2.263300676e-04 5.24 -2.173335957e-04 5.26 -2.086867790e-04 5.28 -2.003766748e-04 5.30 -1.923907654e-04 5.32 -1.847169494e-04 5.34 -1.773435315e-04 5.36 -1.702592134e-04 5.38 -1.634530837e-04 5.40 -1.569146076e-04 5.42 -1.506336173e-04 5.44 -1.446003020e-04 5.46 -1.388051976e-04 5.48 -1.332391766e-04 5.50 -1.278934389e-04 5.52 -1.222755035e-04 5.54 -1.159782776e-04 5.56 -1.091236703e-04 5.58 -1.018348677e-04 5.60 -9.423409274e-05 5.62 -8.644056240e-05 5.64 -7.856865832e-05 5.66 -7.072632669e-05 5.68 -6.301371553e-05 5.70 -5.552205356e-05 5.72 -4.833277066e-05 5.74 -4.151685520e-05 5.76 -3.513444062e-05 5.78 -2.923460961e-05 5.80 -2.385540212e-05 5.82 -1.902401061e-05 5.84 -1.475714446e-05 5.86 -1.106154368e-05 5.88 -7.934621521e-06 5.90 -5.365214674e-06 5.92 -3.334419823e-06 5.94 -1.816495541e-06 5.96 -7.798090288e-07 5.98 -1.878081030e-07 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