# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2015--Borovikov-V-Mendelev-M-I-King-A-H-LeSar-R--fictional-Cu-3 # implementation = 2015--Borovikov-V--fictional-Cu-3--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 3.887459950e+04 0.14 2.945558253e+04 0.16 2.288992068e+04 0.18 1.814119646e+04 0.20 1.460756075e+04 0.22 1.191803108e+04 0.24 9.832891597e+03 0.26 8.191250940e+03 0.28 6.881717121e+03 0.30 5.825158434e+03 0.32 4.964133156e+03 0.34 4.256171827e+03 0.36 3.669374837e+03 0.38 3.179449988e+03 0.40 2.767672821e+03 0.42 2.419453984e+03 0.44 2.123315236e+03 0.46 1.870146171e+03 0.48 1.652657324e+03 0.50 1.464972763e+03 0.52 1.302323249e+03 0.54 1.160812843e+03 0.56 1.037239764e+03 0.58 9.289577482e+02 0.60 8.337679192e+02 0.62 7.498338618e+02 0.64 6.756144685e+02 0.66 6.098105041e+02 0.68 5.513218542e+02 0.70 4.992131294e+02 0.72 4.526858433e+02 0.74 4.110557949e+02 0.76 3.737345943e+02 0.78 3.402145037e+02 0.80 3.100559431e+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 1.185630435e+02 1.04 1.088981976e+02 1.06 9.993863697e+01 1.08 9.163647084e+01 1.10 8.394694004e+01 1.12 7.682820805e+01 1.14 7.024116717e+01 1.16 6.414925862e+01 1.18 5.851830542e+01 1.20 5.331635709e+01 1.22 4.851354522e+01 1.24 4.408194906e+01 1.26 3.999547044e+01 1.28 3.622971719e+01 1.30 3.276189450e+01 1.32 2.957070356e+01 1.34 2.663624703e+01 1.36 2.393994064e+01 1.38 2.146443074e+01 1.40 1.919351708e+01 1.42 1.711208063e+01 1.44 1.520601598e+01 1.46 1.346216808e+01 1.48 1.186827287e+01 1.50 1.041290166e+01 1.52 9.085408959e+00 1.54 7.875883473e+00 1.56 6.775102092e+00 1.58 5.774486676e+00 1.60 4.866063425e+00 1.62 4.042424677e+00 1.64 3.296692979e+00 1.66 2.622487287e+00 1.68 2.013891143e+00 1.70 1.465422739e+00 1.72 9.720067201e-01 1.74 5.289476441e-01 1.76 1.319049891e-01 1.78 -2.231303768e-01 1.80 -5.398583504e-01 1.82 -8.216904486e-01 1.84 -1.071769439e+00 1.86 -1.292987811e+00 1.88 -1.488005151e+00 1.90 -1.659264488e+00 1.92 -1.809007646e+00 1.94 -1.939289682e+00 1.96 -2.051992436e+00 1.98 -2.148837250e+00 2.00 -2.231396655e+00 2.02 -2.293929992e+00 2.04 -2.334801657e+00 2.06 -2.360272154e+00 2.08 -2.375049565e+00 2.10 -2.382590427e+00 2.12 -2.385357703e+00 2.14 -2.385040054e+00 2.16 -2.382736204e+00 2.18 -2.379107978e+00 2.20 -2.374505460e+00 2.22 -2.369067489e+00 2.24 -2.362800555e+00 2.26 -2.355638972e+00 2.28 -2.347489010e+00 2.30 -2.338259511e+00 2.32 -2.327881291e+00 2.34 -2.316317511e+00 2.36 -2.303566933e+00 2.38 -2.289661889e+00 2.40 -2.274662527e+00 2.42 -2.258648764e+00 2.44 -2.241711162e+00 2.46 -2.223941788e+00 2.48 -2.205425966e+00 2.50 -2.186235591e+00 2.52 -2.166424504e+00 2.54 -2.146026250e+00 2.56 -2.125054363e+00 2.58 -2.103505149e+00 2.60 -2.081362727e+00 2.62 -2.058605944e+00 2.64 -2.035216557e+00 2.66 -2.011187940e+00 2.68 -1.986533340e+00 2.70 -1.961292572e+00 2.72 -1.935535820e+00 2.74 -1.909363071e+00 2.76 -1.882897480e+00 2.78 -1.856270822e+00 2.80 -1.829598977e+00 2.82 -1.802949849e+00 2.84 -1.776351881e+00 2.86 -1.749827349e+00 2.88 -1.723396271e+00 2.90 -1.697076646e+00 2.92 -1.670884683e+00 2.94 -1.644835047e+00 2.96 -1.618941069e+00 2.98 -1.593214832e+00 3.00 -1.567667394e+00 3.02 -1.542308990e+00 3.04 -1.517148982e+00 3.06 -1.492196112e+00 3.08 -1.467458625e+00 3.10 -1.442944112e+00 3.12 -1.418659974e+00 3.14 -1.394613034e+00 3.16 -1.370809989e+00 3.18 -1.347257167e+00 3.20 -1.323960710e+00 3.22 -1.300926558e+00 3.24 -1.278160387e+00 3.26 -1.255667584e+00 3.28 -1.233453329e+00 3.30 -1.211522268e+00 3.32 -1.189879217e+00 3.34 -1.168527928e+00 3.36 -1.147472775e+00 3.38 -1.126716802e+00 3.40 -1.106263331e+00 3.42 -1.086115376e+00 3.44 -1.066274616e+00 3.46 -1.046743693e+00 3.48 -1.027523761e+00 3.50 -1.008615313e+00 3.52 -9.900198634e-01 3.54 -9.717368645e-01 3.56 -9.537651375e-01 3.58 -9.361047416e-01 3.60 -9.187542313e-01 3.62 -9.017098573e-01 3.64 -8.849696702e-01 3.66 -8.685322115e-01 3.68 -8.523917339e-01 3.70 -8.365429416e-01 3.72 -8.209823318e-01 3.74 -8.057069583e-01 3.76 -7.907080478e-01 3.78 -7.759772313e-01 3.80 -7.615092925e-01 3.82 -7.472998069e-01 3.84 -7.333433996e-01 3.86 -7.196237187e-01 3.88 -7.061321764e-01 3.90 -6.928633400e-01 3.92 -6.798125213e-01 3.94 -6.669756081e-01 3.96 -6.543363756e-01 3.98 -6.418685838e-01 4.00 -6.295703568e-01 4.02 -6.174406655e-01 4.04 -6.054786719e-01 4.06 -5.936836759e-01 4.08 -5.820550817e-01 4.10 -5.704458316e-01 4.12 -5.587287107e-01 4.14 -5.470303048e-01 4.16 -5.354571056e-01 4.18 -5.240962013e-01 4.20 -5.130178227e-01 4.22 -5.022776202e-01 4.24 -4.919186980e-01 4.26 -4.819734265e-01 4.28 -4.725824478e-01 4.30 -4.638291233e-01 4.32 -4.554045600e-01 4.34 -4.470477704e-01 4.36 -4.385514653e-01 4.38 -4.297549105e-01 4.40 -4.205376012e-01 4.42 -4.108136687e-01 4.44 -4.005269421e-01 4.46 -3.896465952e-01 4.48 -3.781633128e-01 4.50 -3.660859205e-01 4.52 -3.534383988e-01 4.54 -3.402570020e-01 4.56 -3.265229359e-01 4.58 -3.123270114e-01 4.60 -2.978628947e-01 4.62 -2.832954174e-01 4.64 -2.687636958e-01 4.66 -2.543839137e-01 4.68 -2.402517737e-01 4.70 -2.264446396e-01 4.72 -2.130233942e-01 4.74 -2.000340339e-01 4.76 -1.875090198e-01 4.78 -1.754684029e-01 4.80 -1.639207402e-01 4.82 -1.528642628e-01 4.84 -1.422922450e-01 4.86 -1.321979306e-01 4.88 -1.225748023e-01 4.90 -1.134164031e-01 4.92 -1.047161710e-01 4.94 -9.646728898e-02 4.96 -8.866255206e-02 4.98 -8.129425384e-02 5.00 -7.435409263e-02 5.02 -6.783309809e-02 5.04 -6.172157832e-02 5.06 -5.600908711e-02 5.08 -5.068441085e-02 5.10 -4.573557395e-02 5.12 -4.114986189e-02 5.14 -3.691386041e-02 5.16 -3.301350937e-02 5.18 -2.943416965e-02 5.20 -2.616070132e-02 5.22 -2.317755125e-02 5.24 -2.046884840e-02 5.26 -1.801850478e-02 5.28 -1.581032026e-02 5.30 -1.382808943e-02 5.32 -1.205570857e-02 5.34 -1.047728117e-02 5.36 -9.077220148e-03 5.38 -7.840345403e-03 5.40 -6.751975068e-03 5.42 -5.798009276e-03 5.44 -4.965005192e-03 5.46 -4.240242296e-03 5.48 -3.611777029e-03 5.50 -3.068486107e-03 5.52 -2.600097963e-03 5.54 -2.197211976e-03 5.56 -1.851305327e-03 5.58 -1.554727522e-03 5.60 -1.300682830e-03 5.62 -1.083201072e-03 5.64 -8.970974335e-04 5.66 -7.379221676e-04 5.68 -6.019012705e-04 5.70 -4.858694520e-04 5.72 -3.871969239e-04 5.74 -3.037117631e-04 5.76 -2.336198306e-04 5.78 -1.754244531e-04 5.80 -1.278483022e-04 5.82 -8.976013609e-05 5.84 -6.010929522e-05 5.86 -3.787107748e-05 5.88 -2.200634489e-05 5.90 -1.143894731e-05 5.92 -5.054778193e-06 5.94 -1.726509071e-06 5.96 -3.682806302e-07 5.98 -2.485932743e-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