# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2015--Borovikov-V-Mendelev-M-I-King-A-H-LeSar-R--fictional-Cu-5 # implementation = 2015--Borovikov-V--fictional-Cu-5--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 3.887463923e+04 0.14 2.945562003e+04 0.16 2.288995597e+04 0.18 1.814122956e+04 0.20 1.460759169e+04 0.22 1.191805989e+04 0.24 9.832918319e+03 0.26 8.191275608e+03 0.28 6.881739770e+03 0.30 5.825179093e+03 0.32 4.964151851e+03 0.34 4.256188585e+03 0.36 3.669389697e+03 0.38 3.179463001e+03 0.40 2.767684055e+03 0.42 2.419463530e+03 0.44 2.123323205e+03 0.46 1.870152700e+03 0.48 1.652662566e+03 0.50 1.464976881e+03 0.52 1.302326408e+03 0.54 1.160815203e+03 0.56 1.037241479e+03 0.58 9.289589564e+02 0.60 8.337687436e+02 0.62 7.498344050e+02 0.64 6.756148121e+02 0.66 6.098107106e+02 0.68 5.513219706e+02 0.70 4.992131897e+02 0.72 4.526858711e+02 0.74 4.110558057e+02 0.76 3.737345975e+02 0.78 3.402145043e+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 1.289844249e+02 1.02 1.185544831e+02 1.04 1.088669726e+02 1.06 9.987461583e+01 1.08 9.153283169e+01 1.10 8.379959205e+01 1.12 7.663528784e+01 1.14 7.000260251e+01 1.16 6.386639202e+01 1.18 5.819357100e+01 1.20 5.295300482e+01 1.22 4.811540707e+01 1.24 4.365324229e+01 1.26 3.954063347e+01 1.28 3.575327418e+01 1.30 3.226834508e+01 1.32 2.906443440e+01 1.34 2.612146243e+01 1.36 2.342060955e+01 1.38 2.094424781e+01 1.40 1.867587578e+01 1.42 1.660005653e+01 1.44 1.470235855e+01 1.46 1.296929958e+01 1.48 1.138829303e+01 1.50 9.947597080e+00 1.52 8.636266125e+00 1.54 7.444104653e+00 1.56 6.361623304e+00 1.58 5.379997089e+00 1.60 4.491025663e+00 1.62 3.687095546e+00 1.64 2.961144240e+00 1.66 2.306626134e+00 1.68 1.717480146e+00 1.70 1.188099014e+00 1.72 7.133001892e-01 1.74 2.882982366e-01 1.76 -9.132128768e-02 1.78 -4.296265633e-01 1.80 -7.303628860e-01 1.82 -9.969747574e-01 1.84 -1.232626740e+00 1.86 -1.440223129e+00 1.88 -1.622426485e+00 1.90 -1.781675093e+00 1.92 -1.920199369e+00 1.94 -2.040037292e+00 1.96 -2.143048876e+00 1.98 -2.230929743e+00 2.00 -2.305223629e+00 2.02 -2.360958810e+00 2.04 -2.396884103e+00 2.06 -2.418751241e+00 2.08 -2.430873805e+00 2.10 -2.436408135e+00 2.12 -2.437593887e+00 2.14 -2.435958218e+00 2.16 -2.432487168e+00 2.18 -2.427767671e+00 2.20 -2.422103419e+00 2.22 -2.415607649e+00 2.24 -2.408275741e+00 2.26 -2.400040348e+00 2.28 -2.390811586e+00 2.30 -2.380504679e+00 2.32 -2.369057221e+00 2.34 -2.356438101e+00 2.36 -2.342649920e+00 2.38 -2.327726586e+00 2.40 -2.311727577e+00 2.42 -2.294730184e+00 2.44 -2.276820894e+00 2.46 -2.258086867e+00 2.48 -2.238608372e+00 2.50 -2.218452775e+00 2.52 -2.197670536e+00 2.54 -2.176293478e+00 2.56 -2.154335460e+00 2.58 -2.131795365e+00 2.60 -2.108662174e+00 2.62 -2.084921708e+00 2.64 -2.060564437e+00 2.66 -2.035593610e+00 2.68 -2.010032756e+00 2.70 -1.983931449e+00 2.72 -1.957368048e+00 2.74 -1.930447957e+00 2.76 -1.903295770e+00 2.78 -1.876039486e+00 2.80 -1.848784820e+00 2.82 -1.821582594e+00 2.84 -1.794442233e+00 2.86 -1.767370329e+00 2.88 -1.740374652e+00 2.90 -1.713463992e+00 2.92 -1.686648030e+00 2.94 -1.659937239e+00 2.96 -1.633342784e+00 2.98 -1.606876315e+00 3.00 -1.580549927e+00 3.02 -1.554376121e+00 3.04 -1.528367518e+00 3.06 -1.502536927e+00 3.08 -1.476897268e+00 3.10 -1.451461256e+00 3.12 -1.426241718e+00 3.14 -1.401251069e+00 3.16 -1.376501645e+00 3.18 -1.352005360e+00 3.20 -1.327773798e+00 3.22 -1.303818121e+00 3.24 -1.280148940e+00 3.26 -1.256776239e+00 3.28 -1.233709411e+00 3.30 -1.210956895e+00 3.32 -1.188526861e+00 3.34 -1.166425953e+00 3.36 -1.144660968e+00 3.38 -1.123236901e+00 3.40 -1.102158555e+00 3.42 -1.081429963e+00 3.44 -1.061053379e+00 3.46 -1.041031589e+00 3.48 -1.021365486e+00 3.50 -1.002054919e+00 3.52 -9.831004029e-01 3.54 -9.645000703e-01 3.56 -9.462511286e-01 3.58 -9.283517650e-01 3.60 -9.107984389e-01 3.62 -8.935851159e-01 3.64 -8.767074082e-01 3.66 -8.601612997e-01 3.68 -8.439384010e-01 3.70 -8.280307232e-01 3.72 -8.124320524e-01 3.74 -7.971367442e-01 3.76 -7.821333696e-01 3.78 -7.674109746e-01 3.80 -7.529618539e-01 3.82 -7.387792141e-01 3.84 -7.248554526e-01 3.86 -7.111721500e-01 3.88 -6.977188269e-01 3.90 -6.844883494e-01 3.92 -6.714745286e-01 3.94 -6.586719604e-01 3.96 -6.460633422e-01 3.98 -6.336215729e-01 4.00 -6.213441317e-01 4.02 -6.092295579e-01 4.04 -5.972767892e-01 4.06 -5.854851008e-01 4.08 -5.738540604e-01 4.10 -5.622369497e-01 4.12 -5.505070530e-01 4.14 -5.387915986e-01 4.16 -5.271978443e-01 4.18 -5.158137483e-01 4.20 -5.047104919e-01 4.22 -4.939447349e-01 4.24 -4.835606253e-01 4.26 -4.735915875e-01 4.28 -4.641793033e-01 4.30 -4.554081353e-01 4.32 -4.469701296e-01 4.34 -4.386051533e-01 4.36 -4.301066655e-01 4.38 -4.213145549e-01 4.40 -4.121087972e-01 4.42 -4.024038475e-01 4.44 -3.921436906e-01 4.46 -3.812974811e-01 4.48 -3.698557070e-01 4.50 -3.578268213e-01 4.52 -3.452342643e-01 4.54 -3.321135956e-01 4.56 -3.184451936e-01 4.58 -3.043189365e-01 4.60 -2.899274891e-01 4.62 -2.754346583e-01 4.64 -2.609785666e-01 4.66 -2.466745009e-01 4.68 -2.326174395e-01 4.70 -2.188842829e-01 4.72 -2.055358124e-01 4.74 -1.926183994e-01 4.76 -1.801654851e-01 4.78 -1.681988503e-01 4.80 -1.567296917e-01 4.82 -1.457598537e-01 4.84 -1.352861398e-01 4.86 -1.253041977e-01 4.88 -1.158088777e-01 4.90 -1.067942362e-01 4.92 -9.825353333e-02 4.94 -9.017922660e-02 4.96 -8.256296468e-02 4.98 -7.539558445e-02 5.00 -6.866711285e-02 5.02 -6.236677554e-02 5.04 -5.648301339e-02 5.06 -5.100350768e-02 5.08 -4.591521439e-02 5.10 -4.120440764e-02 5.12 -3.685673216e-02 5.14 -3.285726428e-02 5.16 -2.919058080e-02 5.18 -2.584083508e-02 5.20 -2.279183906e-02 5.22 -2.002715052e-02 5.24 -1.753016411e-02 5.26 -1.528420512e-02 5.28 -1.327262459e-02 5.30 -1.147889456e-02 5.32 -9.886702227e-03 5.34 -8.480041598e-03 5.36 -7.243301601e-03 5.38 -6.161349387e-03 5.40 -5.219607780e-03 5.42 -4.404125862e-03 5.44 -3.701641792e-03 5.46 -3.099637050e-03 5.48 -2.586381438e-03 5.50 -2.150968269e-03 5.52 -1.783339337e-03 5.54 -1.474299371e-03 5.56 -1.215519862e-03 5.58 -9.995322780e-04 5.60 -8.197108448e-04 5.62 -6.702452552e-04 5.64 -5.461038135e-04 5.66 -4.429877063e-04 5.68 -3.572772649e-04 5.70 -2.859712605e-04 5.72 -2.266204525e-04 5.74 -1.772567946e-04 5.76 -1.363198859e-04 5.78 -1.025824370e-04 5.80 -7.507671118e-05 5.82 -5.302408227e-05 5.84 -3.577004399e-05 5.86 -2.272718851e-05 5.88 -1.332886382e-05 5.90 -6.996406542e-06 5.92 -3.123036712e-06 5.94 -1.077689552e-06 5.96 -2.322489860e-07 5.98 -1.583670132e-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 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