# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2015--Borovikov-V-Mendelev-M-I-King-A-H-LeSar-R--fictional-Cu-7 # implementation = 2015--Borovikov-V--fictional-Cu-7--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 3.887466728e+04 0.14 2.945564579e+04 0.16 2.288997948e+04 0.18 1.814125084e+04 0.20 1.460761075e+04 0.22 1.191807676e+04 0.24 9.832933040e+03 0.26 8.191288261e+03 0.28 6.881750468e+03 0.30 5.825187984e+03 0.32 4.964159113e+03 0.34 4.256194415e+03 0.36 3.669394297e+03 0.38 3.179466571e+03 0.40 2.767686784e+03 0.42 2.419465589e+03 0.44 2.123324743e+03 0.46 1.870153838e+03 0.48 1.652663401e+03 0.50 1.464977488e+03 0.52 1.302326845e+03 0.54 1.160815516e+03 0.56 1.037241699e+03 0.58 9.289591101e+02 0.60 8.337688481e+02 0.62 7.498344739e+02 0.64 6.756148556e+02 0.66 6.098107368e+02 0.68 5.513219853e+02 0.70 4.992131973e+02 0.72 4.526858746e+02 0.74 4.110558071e+02 0.76 3.737345980e+02 0.78 3.402145044e+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 1.289844261e+02 1.02 1.185172492e+02 1.04 1.087320609e+02 1.06 9.959998323e+01 1.08 9.109165109e+01 1.10 8.317745296e+01 1.12 7.582775094e+01 1.14 6.901307793e+01 1.16 6.270431212e+01 1.18 5.687282972e+01 1.20 5.149063677e+01 1.22 4.653048126e+01 1.24 4.196594672e+01 1.26 3.777152844e+01 1.28 3.392269379e+01 1.30 3.039592779e+01 1.32 2.716876546e+01 1.34 2.421981205e+01 1.36 2.152875258e+01 1.38 1.907635183e+01 1.40 1.684444611e+01 1.42 1.481592768e+01 1.44 1.297472313e+01 1.46 1.130576659e+01 1.48 9.794968609e+00 1.50 8.429181690e+00 1.52 7.196163103e+00 1.54 6.084535744e+00 1.56 5.083747608e+00 1.58 4.184030440e+00 1.60 3.376358026e+00 1.62 2.652404551e+00 1.64 2.004503365e+00 1.66 1.425606479e+00 1.68 9.092450185e-01 1.70 4.494908594e-01 1.72 4.091960410e-02 1.74 -3.214249766e-01 1.76 -6.420649363e-01 1.78 -9.251205181e-01 1.80 -1.174340852e+00 1.82 -1.393132962e+00 1.84 -1.584589099e+00 1.86 -1.751512389e+00 1.88 -1.896440862e+00 1.90 -2.021669877e+00 1.92 -2.129273007e+00 1.94 -2.221121433e+00 1.96 -2.298901923e+00 1.98 -2.364133451e+00 2.00 -2.418182385e+00 2.02 -2.458023777e+00 2.04 -2.483241090e+00 2.06 -2.498058244e+00 2.08 -2.505624615e+00 2.10 -2.508228835e+00 2.12 -2.507481307e+00 2.14 -2.504468560e+00 2.16 -2.499882266e+00 2.18 -2.494125631e+00 2.20 -2.487399705e+00 2.22 -2.479772027e+00 2.24 -2.471229871e+00 2.26 -2.461720248e+00 2.28 -2.451178622e+00 2.30 -2.439548223e+00 2.32 -2.426791652e+00 2.34 -2.412896348e+00 2.36 -2.397875350e+00 2.38 -2.381764653e+00 2.40 -2.364618277e+00 2.42 -2.346502092e+00 2.44 -2.327487215e+00 2.46 -2.307643739e+00 2.48 -2.287035407e+00 2.50 -2.265715656e+00 2.52 -2.243725334e+00 2.54 -2.221092245e+00 2.56 -2.197832554e+00 2.58 -2.173953938e+00 2.60 -2.149460215e+00 2.62 -2.124357067e+00 2.64 -2.098658297e+00 2.66 -2.072391966e+00 2.68 -2.045605574e+00 2.70 -2.018369320e+00 2.72 -1.990776363e+00 2.74 -1.962938817e+00 2.76 -1.934978110e+00 2.78 -1.907008183e+00 2.80 -1.879109865e+00 2.82 -1.851300296e+00 2.84 -1.823554912e+00 2.86 -1.795852678e+00 2.88 -1.768179957e+00 2.90 -1.740529638e+00 2.92 -1.712900328e+00 2.94 -1.685295643e+00 2.96 -1.657723530e+00 2.98 -1.630195532e+00 3.00 -1.602726259e+00 3.02 -1.575332909e+00 3.04 -1.548034573e+00 3.06 -1.520851932e+00 3.08 -1.493806847e+00 3.10 -1.466921744e+00 3.12 -1.440219656e+00 3.14 -1.413723462e+00 3.16 -1.387456012e+00 3.18 -1.361439588e+00 3.20 -1.335695848e+00 3.22 -1.310245585e+00 3.24 -1.285108491e+00 3.26 -1.260302983e+00 3.28 -1.235846159e+00 3.30 -1.211753383e+00 3.32 -1.188038920e+00 3.34 -1.164714657e+00 3.36 -1.141791763e+00 3.38 -1.119278735e+00 3.40 -1.097183014e+00 3.42 -1.075510431e+00 3.44 -1.054264220e+00 3.46 -1.033447367e+00 3.48 -1.013060230e+00 3.50 -9.931014328e-01 3.52 -9.735696307e-01 3.54 -9.544605168e-01 3.56 -9.357683425e-01 3.58 -9.174878838e-01 3.60 -8.996117975e-01 3.62 -8.821299215e-01 3.64 -8.650334796e-01 3.66 -8.483138718e-01 3.68 -8.319579927e-01 3.70 -8.159530675e-01 3.72 -8.002880861e-01 3.74 -7.849526549e-01 3.76 -7.699306963e-01 3.78 -7.552067591e-01 3.80 -7.407688389e-01 3.82 -7.266060831e-01 3.84 -7.127071082e-01 3.86 -6.990500252e-01 3.88 -6.856212249e-01 3.90 -6.724108061e-01 3.92 -6.594101938e-01 3.94 -6.466119917e-01 3.96 -6.339973061e-01 3.98 -6.215378489e-01 4.00 -6.092303128e-01 4.02 -5.970728438e-01 4.04 -5.850643666e-01 4.06 -5.732045054e-01 4.08 -5.614935174e-01 4.10 -5.497856874e-01 4.12 -5.379555859e-01 4.14 -5.261319768e-01 4.16 -5.144238648e-01 4.18 -5.029211264e-01 4.20 -4.916969904e-01 4.22 -4.808102480e-01 4.24 -4.703072176e-01 4.26 -4.602234859e-01 4.28 -4.507028427e-01 4.30 -4.418316581e-01 4.32 -4.333038411e-01 4.34 -4.248609336e-01 4.36 -4.162978426e-01 4.38 -4.074556418e-01 4.40 -3.982151969e-01 4.42 -3.884915326e-01 4.44 -3.782288639e-01 4.46 -3.673962235e-01 4.48 -3.559836227e-01 4.50 -3.439986888e-01 4.52 -3.314637050e-01 4.54 -3.184127710e-01 4.56 -3.048245444e-01 4.58 -2.907869783e-01 4.60 -2.764906807e-01 4.62 -2.620973587e-01 4.64 -2.477430998e-01 4.66 -2.335413480e-01 4.68 -2.195855796e-01 4.70 -2.059517054e-01 4.72 -1.927002251e-01 4.74 -1.798781584e-01 4.76 -1.675207742e-01 4.78 -1.556531380e-01 4.80 -1.442914985e-01 4.82 -1.334446429e-01 4.84 -1.231161858e-01 4.86 -1.133064565e-01 4.88 -1.040130194e-01 4.90 -9.523101947e-02 4.92 -8.695348521e-02 4.94 -7.917159242e-02 4.96 -7.187489692e-02 4.98 -6.505154002e-02 5.00 -5.868843151e-02 5.02 -5.277141384e-02 5.04 -4.728541073e-02 5.06 -4.221456300e-02 5.08 -3.754235393e-02 5.10 -3.325172602e-02 5.12 -2.932519074e-02 5.14 -2.574493249e-02 5.16 -2.249290775e-02 5.18 -1.955094007e-02 5.20 -1.690081145e-02 5.22 -1.452435025e-02 5.24 -1.240351602e-02 5.26 -1.052048094e-02 5.28 -8.857707944e-03 5.30 -7.398025254e-03 5.32 -6.124697012e-03 5.34 -5.021489680e-03 5.36 -4.072733845e-03 5.38 -3.263381004e-03 5.40 -2.579054938e-03 5.42 -2.006097272e-03 5.44 -1.531606841e-03 5.46 -1.143472527e-03 5.48 -8.303992404e-04 5.50 -5.819268136e-04 5.52 -3.884415893e-04 5.54 -2.411805872e-04 5.56 -1.322281832e-04 5.58 -5.450532269e-05 5.60 -1.751372412e-06 5.62 3.150119905e-05 5.64 4.995902620e-05 5.66 5.760655788e-05 5.68 5.775079560e-05 5.70 5.307147821e-05 5.72 4.567602851e-05 5.74 3.715847146e-05 5.76 2.866142644e-05 5.78 2.094016708e-05 5.80 1.442763258e-05 5.82 9.299163520e-06 5.84 5.535624163e-06 5.86 2.983460736e-06 5.88 1.410133392e-06 5.90 5.532464991e-07 5.92 1.615891640e-07 5.94 2.618483231e-08 5.96 -6.643778985e-10 5.98 -4.661428262e-10 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