# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2023--Daw-M-S-Chandross-M--meta-Cu-Ag-Au-Ni-Pd-Pt # implementation = 2023--Daw-M-S--meta-Cu-Ag-Au-Ni-Pd-Pt--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 2026-08-31 r Av Av 0.02 4.767376980e+04 0.04 4.325153317e+04 0.06 3.901159362e+04 0.08 3.494588056e+04 0.10 3.104671749e+04 0.12 2.730680053e+04 0.14 2.371917818e+04 0.16 2.037046941e+04 0.18 1.749331112e+04 0.20 1.503477692e+04 0.22 1.293347435e+04 0.24 1.113699581e+04 0.26 9.600610840e+03 0.28 8.286147557e+03 0.30 7.161036092e+03 0.32 6.197490668e+03 0.34 5.371810352e+03 0.36 4.663781359e+03 0.38 4.056166253e+03 0.40 3.534267483e+03 0.42 3.085554511e+03 0.44 2.699345320e+03 0.46 2.366534430e+03 0.48 2.079360676e+03 0.50 1.831208969e+03 0.52 1.616441111e+03 0.54 1.430251432e+03 0.56 1.268543629e+03 0.58 1.127825731e+03 0.60 1.005120524e+03 0.62 8.978891889e+02 0.64 8.039662200e+02 0.66 7.215039610e+02 0.68 6.489253560e+02 0.70 5.848837055e+02 0.72 5.282283962e+02 0.74 4.779757260e+02 0.76 4.332840705e+02 0.78 3.934327513e+02 0.80 3.578040567e+02 0.82 3.258679486e+02 0.84 2.971690564e+02 0.86 2.713156178e+02 0.88 2.479700767e+02 0.90 2.268410907e+02 0.92 2.076767383e+02 0.94 1.902587456e+02 0.96 1.743975798e+02 0.98 1.599282794e+02 1.00 1.467069110e+02 1.02 1.346075573e+02 1.04 1.235197565e+02 1.06 1.133463256e+02 1.08 1.040015086e+02 1.10 9.540940119e+01 1.12 8.750260946e+01 1.14 8.022110752e+01 1.16 7.351126357e+01 1.18 6.732500907e+01 1.20 6.161912901e+01 1.22 5.635465521e+01 1.24 5.149634668e+01 1.26 4.701224405e+01 1.28 4.287328676e+01 1.30 3.905298359e+01 1.32 3.552712837e+01 1.34 3.227355416e+01 1.36 2.927192017e+01 1.38 2.650352646e+01 1.40 2.395115231e+01 1.42 2.159891484e+01 1.44 1.943214493e+01 1.46 1.743727783e+01 1.48 1.560175646e+01 1.50 1.391394565e+01 1.52 1.236305561e+01 1.54 1.093907361e+01 1.56 9.632702598e+00 1.58 8.435305887e+00 1.60 7.338857173e+00 1.62 6.335895159e+00 1.64 5.419482264e+00 1.66 4.583166898e+00 1.68 3.820948933e+00 1.70 3.127247974e+00 1.72 2.496874159e+00 1.74 1.925001214e+00 1.76 1.407141538e+00 1.78 9.391231224e-01 1.80 5.170681364e-01 1.82 1.373730330e-01 1.84 -2.033099636e-01 1.86 -5.080900967e-01 1.88 -7.798541471e-01 1.90 -1.021281426e+00 1.92 -1.234857767e+00 1.94 -1.422888600e+00 1.96 -1.587511163e+00 1.98 -1.730705914e+00 2.00 -1.854307203e+00 2.02 -1.960013247e+00 2.04 -2.049395463e+00 2.06 -2.123907181e+00 2.08 -2.184891810e+00 2.10 -2.233590455e+00 2.12 -2.271149045e+00 2.14 -2.298624999e+00 2.16 -2.316993446e+00 2.18 -2.327153042e+00 2.20 -2.329931403e+00 2.22 -2.326090173e+00 2.24 -2.316329765e+00 2.26 -2.301293771e+00 2.28 -2.281573090e+00 2.30 -2.257709772e+00 2.32 -2.230200596e+00 2.34 -2.199500420e+00 2.36 -2.166025281e+00 2.38 -2.130155305e+00 2.40 -2.092237398e+00 2.42 -2.052587757e+00 2.44 -2.011494211e+00 2.46 -1.969218391e+00 2.48 -1.925997749e+00 2.50 -1.882047435e+00 2.52 -1.837562043e+00 2.54 -1.792717227e+00 2.56 -1.747671205e+00 2.58 -1.702566155e+00 2.60 -1.657529503e+00 2.62 -1.612675129e+00 2.64 -1.568104471e+00 2.66 -1.523907560e+00 2.68 -1.480163968e+00 2.70 -1.436943693e+00 2.72 -1.394307974e+00 2.74 -1.352310044e+00 2.76 -1.310995832e+00 2.78 -1.270404599e+00 2.80 -1.230569540e+00 2.82 -1.191518330e+00 2.84 -1.153273631e+00 2.86 -1.115853557e+00 2.88 -1.079272108e+00 2.90 -1.043539562e+00 2.92 -1.008662841e+00 2.94 -9.746458476e-01 2.96 -9.414897709e-01 2.98 -9.091933716e-01 3.00 -8.777532407e-01 3.02 -8.471640382e-01 3.04 -8.174187115e-01 3.06 -7.885086950e-01 3.08 -7.604240939e-01 3.10 -7.331538507e-01 3.12 -7.066858982e-01 3.14 -6.810072989e-01 3.16 -6.561043719e-01 3.18 -6.319628084e-01 3.20 -6.085677769e-01 3.22 -5.859040178e-01 3.24 -5.639559309e-01 3.26 -5.427076524e-01 3.28 -5.221431262e-01 3.30 -5.022461673e-01 3.32 -4.830005188e-01 3.34 -4.643899037e-01 3.36 -4.463980702e-01 3.38 -4.290088335e-01 3.40 -4.122061115e-01 3.42 -3.959739575e-01 3.44 -3.802965887e-01 3.46 -3.651584112e-01 3.48 -3.505440420e-01 3.50 -3.364383276e-01 3.52 -3.228263608e-01 3.54 -3.096934944e-01 3.56 -2.970253529e-01 3.58 -2.848078424e-01 3.60 -2.730271587e-01 3.62 -2.616697932e-01 3.64 -2.507225382e-01 3.66 -2.401724901e-01 3.68 -2.300070522e-01 3.70 -2.202139354e-01 3.72 -2.107811589e-01 3.74 -2.016970493e-01 3.76 -1.929502398e-01 3.78 -1.845296674e-01 3.80 -1.764245711e-01 3.82 -1.686244881e-01 3.84 -1.611192504e-01 3.86 -1.538989809e-01 3.88 -1.469540888e-01 3.90 -1.402752649e-01 3.92 -1.338534769e-01 3.94 -1.276799638e-01 3.96 -1.217462309e-01 3.98 -1.160440443e-01 4.00 -1.105654249e-01 4.02 -1.053026430e-01 4.04 -1.002482127e-01 4.06 -9.539488556e-02 4.08 -9.073564521e-02 4.10 -8.626370132e-02 4.12 -8.197248379e-02 4.14 -7.785563700e-02 4.16 -7.390701400e-02 4.18 -7.012067083e-02 4.20 -6.649086087e-02 4.22 -6.301202923e-02 4.24 -5.967880733e-02 4.26 -5.648600740e-02 4.28 -5.342861721e-02 4.30 -5.050179481e-02 4.32 -4.770086342e-02 4.34 -4.502130655e-02 4.36 -4.245876280e-02 4.38 -4.000902102e-02 4.40 -3.766801578e-02 4.42 -3.543182273e-02 4.44 -3.329665417e-02 4.46 -3.125885460e-02 4.48 -2.931489653e-02 4.50 -2.746137625e-02 4.52 -2.569500982e-02 4.54 -2.401262913e-02 4.56 -2.241109132e-02 4.58 -2.088738912e-02 4.60 -1.943873329e-02 4.62 -1.806242436e-02 4.64 -1.675585094e-02 4.66 -1.551648802e-02 4.68 -1.434189517e-02 4.70 -1.322971461e-02 4.72 -1.217766917e-02 4.74 -1.118356029e-02 4.76 -1.024526584e-02 4.78 -9.360738042e-03 4.80 -8.528001324e-03 4.82 -7.745150151e-03 4.84 -7.010346918e-03 4.86 -6.321819821e-03 4.88 -5.677860776e-03 4.90 -5.076823356e-03 4.92 -4.517120764e-03 4.94 -3.997223856e-03 4.96 -3.515659189e-03 4.98 -3.071007128e-03 5.00 -2.661899994e-03 5.02 -2.287020257e-03 5.04 -1.945098784e-03 5.06 -1.634913133e-03 5.08 -1.355285892e-03 5.10 -1.105083081e-03 5.12 -8.832125863e-04 5.14 -6.886226580e-04 5.16 -5.203004472e-04 5.18 -3.772705948e-04 5.20 -2.585938657e-04 5.22 -1.633658295e-04 5.24 -9.071558579e-05 5.26 -3.980453278e-05 5.28 -9.825179698e-06 5.30 2.232867979e-11 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