# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2019--Yang-C-Qi-L--Nb # implementation = 2019--Yang-C--Nb--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 2022-07-07 r Nb Nb 0.02 9.061964341e+00 0.04 8.961128740e+00 0.06 8.860412896e+00 0.08 8.759815793e+00 0.10 8.659336412e+00 0.12 8.558973735e+00 0.14 8.458726743e+00 0.16 8.358594418e+00 0.18 8.258575742e+00 0.20 8.158669697e+00 0.22 8.058875264e+00 0.24 7.959191426e+00 0.26 7.859617163e+00 0.28 7.760151459e+00 0.30 7.660793293e+00 0.32 7.561541650e+00 0.34 7.462395509e+00 0.36 7.363353853e+00 0.38 7.264415664e+00 0.40 7.165579923e+00 0.42 7.066845613e+00 0.44 6.968211714e+00 0.46 6.869677209e+00 0.48 6.771241079e+00 0.50 6.672902306e+00 0.52 6.574659873e+00 0.54 6.476512760e+00 0.56 6.378459949e+00 0.58 6.280500423e+00 0.60 6.182633163e+00 0.62 6.084857151e+00 0.64 5.987171368e+00 0.66 5.889574796e+00 0.68 5.792066418e+00 0.70 5.694645214e+00 0.72 5.597310167e+00 0.74 5.500060258e+00 0.76 5.402894469e+00 0.78 5.305811783e+00 0.80 5.208811179e+00 0.82 5.111891642e+00 0.84 5.015052151e+00 0.86 4.918291689e+00 0.88 4.821609238e+00 0.90 4.725003780e+00 0.92 4.628474295e+00 0.94 4.532019767e+00 0.96 4.435639176e+00 0.98 4.339331505e+00 1.00 4.243095735e+00 1.02 4.146930849e+00 1.04 4.050835827e+00 1.06 3.954809651e+00 1.08 3.858851304e+00 1.10 3.762959767e+00 1.12 3.667134022e+00 1.14 3.571373050e+00 1.16 3.475675834e+00 1.18 3.380041355e+00 1.20 3.284468595e+00 1.22 3.188956535e+00 1.24 3.093504158e+00 1.26 2.998110445e+00 1.28 2.902774378e+00 1.30 2.807494939e+00 1.32 2.712271109e+00 1.34 2.617101871e+00 1.36 2.521986205e+00 1.38 2.426923095e+00 1.40 2.331911520e+00 1.42 2.236950464e+00 1.44 2.142038909e+00 1.46 2.047175835e+00 1.48 1.952360224e+00 1.50 1.857591059e+00 1.52 1.762867321e+00 1.54 1.668187992e+00 1.56 1.573552054e+00 1.58 1.478958488e+00 1.60 1.384406276e+00 1.62 1.289894400e+00 1.64 1.195421842e+00 1.66 1.100987583e+00 1.68 1.006590605e+00 1.70 9.122298909e-01 1.72 8.179044211e-01 1.74 7.236131778e-01 1.76 6.293551428e-01 1.78 5.351292978e-01 1.80 4.409346246e-01 1.82 3.467701050e-01 1.84 2.526347207e-01 1.86 1.585274535e-01 1.88 6.444728513e-02 1.90 -2.960680260e-02 1.92 -1.236358279e-01 1.94 -2.176408091e-01 1.96 -3.116227644e-01 1.98 -4.055827121e-01 2.00 -4.995216702e-01 2.02 -5.934014572e-01 2.04 -6.868926258e-01 2.06 -7.795346232e-01 2.08 -8.708663328e-01 2.10 -9.604266946e-01 2.12 -1.047754693e+00 2.14 -1.132389347e+00 2.16 -1.213869694e+00 2.18 -1.291734784e+00 2.20 -1.365523665e+00 2.22 -1.434775374e+00 2.24 -1.499028927e+00 2.26 -1.557823307e+00 2.28 -1.610697460e+00 2.30 -1.657190295e+00 2.32 -1.697018783e+00 2.34 -1.730522503e+00 2.36 -1.758143775e+00 2.38 -1.780296354e+00 2.40 -1.797393042e+00 2.42 -1.809846564e+00 2.44 -1.818069561e+00 2.46 -1.822474376e+00 2.48 -1.823473164e+00 2.50 -1.821478076e+00 2.52 -1.816901261e+00 2.54 -1.810154869e+00 2.56 -1.801651050e+00 2.58 -1.791801956e+00 2.60 -1.781018260e+00 2.62 -1.769586312e+00 2.64 -1.757575662e+00 2.66 -1.745033888e+00 2.68 -1.731997370e+00 2.70 -1.718485367e+00 2.72 -1.704515696e+00 2.74 -1.690106173e+00 2.76 -1.675274615e+00 2.78 -1.660038838e+00 2.80 -1.644416659e+00 2.82 -1.628425893e+00 2.84 -1.612084359e+00 2.86 -1.595409871e+00 2.88 -1.578420246e+00 2.90 -1.561134609e+00 2.92 -1.543597733e+00 2.94 -1.525877792e+00 2.96 -1.508043818e+00 2.98 -1.490164820e+00 3.00 -1.472286837e+00 3.02 -1.454389383e+00 3.04 -1.436440002e+00 3.06 -1.418406237e+00 3.08 -1.400255631e+00 3.10 -1.381955728e+00 3.12 -1.363474071e+00 3.14 -1.344778204e+00 3.16 -1.325835669e+00 3.18 -1.306614011e+00 3.20 -1.287073715e+00 3.22 -1.267119770e+00 3.24 -1.246630911e+00 3.26 -1.225485720e+00 3.28 -1.203562779e+00 3.30 -1.180740668e+00 3.32 -1.156926959e+00 3.34 -1.132196444e+00 3.36 -1.106683749e+00 3.38 -1.080523575e+00 3.40 -1.053850623e+00 3.42 -1.026799594e+00 3.44 -9.995051877e-01 3.46 -9.721021065e-01 3.48 -9.447250506e-01 3.50 -9.175080067e-01 3.52 -8.905823203e-01 3.54 -8.640787274e-01 3.56 -8.381279638e-01 3.58 -8.128607652e-01 3.60 -7.884078674e-01 3.62 -7.649000063e-01 3.64 -7.424570266e-01 3.66 -7.210637681e-01 3.68 -7.006138104e-01 3.70 -6.809990139e-01 3.72 -6.621112391e-01 3.74 -6.438423461e-01 3.76 -6.260841955e-01 3.78 -6.087285530e-01 3.80 -5.916578993e-01 3.82 -5.747377326e-01 3.84 -5.578317392e-01 3.86 -5.408036052e-01 3.88 -5.235170170e-01 3.90 -5.058356608e-01 3.92 -4.876232228e-01 3.94 -4.687433893e-01 3.96 -4.490624634e-01 3.98 -4.285377614e-01 4.00 -4.072389756e-01 4.02 -3.852427476e-01 4.04 -3.626257188e-01 4.06 -3.394645309e-01 4.08 -3.158369447e-01 4.10 -2.918444611e-01 4.12 -2.676112572e-01 4.14 -2.432624165e-01 4.16 -2.189230227e-01 4.18 -1.947181594e-01 4.20 -1.707729102e-01 4.22 -1.472123587e-01 4.24 -1.241615886e-01 4.26 -1.017456834e-01 4.28 -8.008963679e-02 4.30 -5.929654058e-02 4.32 -3.941915709e-02 4.34 -2.050320590e-02 4.36 -2.594406588e-03 4.38 1.426297117e-02 4.40 3.003673747e-02 4.42 4.470070058e-02 4.44 5.822871207e-02 4.46 7.059462354e-02 4.48 8.177228657e-02 4.50 9.173555275e-02 4.52 1.004582737e-01 4.54 1.079143009e-01 4.56 1.140774860e-01 4.58 1.189216806e-01 4.60 1.224207363e-01 4.62 1.245641449e-01 4.64 1.254120144e-01 4.66 1.250443739e-01 4.68 1.235461404e-01 4.70 1.210212702e-01 4.72 1.175783558e-01 4.74 1.133259894e-01 4.76 1.083727634e-01 4.78 1.028272703e-01 4.80 9.679810226e-02 4.82 9.039385181e-02 4.84 8.372311124e-02 4.86 7.689447295e-02 4.88 7.001652928e-02 4.90 6.319787261e-02 4.92 5.654709530e-02 4.94 5.016807782e-02 4.96 4.412072742e-02 4.98 3.843161813e-02 5.00 3.310894850e-02 5.02 2.815886370e-02 5.04 2.358750890e-02 5.06 1.940102925e-02 5.08 1.560556993e-02 5.10 1.220727609e-02 5.12 9.212292917e-03 5.14 6.626765563e-03 5.16 4.456839194e-03 5.18 2.708658979e-03 5.20 1.388370081e-03 5.22 5.021176661e-04 5.24 5.604690036e-05 5.26 0.000000000e+00 5.28 0.000000000e+00 5.30 0.000000000e+00 5.32 0.000000000e+00 5.34 0.000000000e+00 5.36 0.000000000e+00 5.38 0.000000000e+00 5.40 0.000000000e+00 5.42 0.000000000e+00 5.44 0.000000000e+00 5.46 0.000000000e+00 5.48 0.000000000e+00 5.50 0.000000000e+00 5.52 0.000000000e+00 5.54 0.000000000e+00 5.56 0.000000000e+00 5.58 0.000000000e+00 5.60 0.000000000e+00 5.62 0.000000000e+00 5.64 0.000000000e+00 5.66 0.000000000e+00 5.68 0.000000000e+00 5.70 0.000000000e+00 5.72 0.000000000e+00 5.74 0.000000000e+00 5.76 0.000000000e+00 5.78 0.000000000e+00 5.80 0.000000000e+00 5.82 0.000000000e+00 5.84 0.000000000e+00 5.86 0.000000000e+00 5.88 0.000000000e+00 5.90 0.000000000e+00 5.92 0.000000000e+00 5.94 0.000000000e+00 5.96 0.000000000e+00 5.98 0.000000000e+00 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