# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2018--Etesami-S-A-Asadi-E--Cu # implementation = 2018--Etesami-S-A--Cu--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 4.957177686e+05 0.04 2.080738511e+05 0.06 1.187631738e+05 0.08 7.734579449e+04 0.10 5.429551973e+04 0.12 4.002003046e+04 0.14 3.053188324e+04 0.16 2.390174556e+04 0.18 1.909270496e+04 0.20 1.550252789e+04 0.22 1.275992584e+04 0.24 1.062492084e+04 0.26 8.936397279e+03 0.28 7.582761560e+03 0.30 6.484701539e+03 0.32 5.584610089e+03 0.34 4.839866324e+03 0.36 4.218430644e+03 0.38 3.695881188e+03 0.40 3.253373046e+03 0.42 2.876204608e+03 0.44 2.552792987e+03 0.46 2.273929882e+03 0.48 2.032234243e+03 0.50 1.821744197e+03 0.52 1.637609890e+03 0.54 1.475859621e+03 0.56 1.333220402e+03 0.58 1.206978972e+03 0.60 1.094873391e+03 0.62 9.950078498e+02 0.64 9.057852776e+02 0.66 8.258537124e+02 0.68 7.540633343e+02 0.70 6.894318969e+02 0.72 6.311167159e+02 0.74 5.783919016e+02 0.76 5.306297262e+02 0.78 4.872853302e+02 0.80 4.478840961e+02 0.82 4.120111874e+02 0.84 3.793028418e+02 0.86 3.494390946e+02 0.88 3.221376764e+02 0.90 2.971488701e+02 0.92 2.742511677e+02 0.94 2.532475818e+02 0.96 2.339625086e+02 0.98 2.162390448e+02 1.00 1.999366909e+02 1.02 1.849293739e+02 1.04 1.711037432e+02 1.06 1.583576958e+02 1.08 1.466000404e+02 1.10 1.353620389e+02 1.12 1.241413881e+02 1.14 1.131867003e+02 1.16 1.026784904e+02 1.18 9.273449480e+01 1.20 8.342503617e+01 1.22 7.478506070e+01 1.24 6.682353784e+01 1.26 5.953075802e+01 1.28 5.288396578e+01 1.30 4.685167592e+01 1.32 4.139694991e+01 1.34 3.647985617e+01 1.36 3.205929054e+01 1.38 2.809429884e+01 1.40 2.454501350e+01 1.42 2.137329342e+01 1.44 1.854313751e+01 1.46 1.602092723e+01 1.48 1.377554185e+01 1.50 1.177838039e+01 1.52 1.000331656e+01 1.54 8.426607355e+00 1.56 7.026770649e+00 1.58 5.784443987e+00 1.60 4.682233006e+00 1.62 3.704556619e+00 1.64 2.837493149e+00 1.66 2.068631235e+00 1.68 1.386927461e+00 1.70 7.825723350e-01 1.72 2.468654069e-01 1.74 -2.279001598e-01 1.76 -6.485433906e-01 1.78 -1.021092071e+00 1.80 -1.350870236e+00 1.82 -1.642577281e+00 1.84 -1.900359036e+00 1.86 -2.127871553e+00 1.88 -2.328338061e+00 1.90 -2.504599778e+00 1.92 -2.659161072e+00 1.94 -2.794229548e+00 1.96 -2.911751563e+00 1.98 -3.013443621e+00 2.00 -3.100820123e+00 2.02 -3.175217827e+00 2.04 -3.237817431e+00 2.06 -3.289662564e+00 2.08 -3.331676805e+00 2.10 -3.364688713e+00 2.12 -3.389464993e+00 2.14 -3.406720330e+00 2.16 -3.417120494e+00 2.18 -3.421285224e+00 2.20 -3.419790968e+00 2.22 -3.413173469e+00 2.24 -3.401930204e+00 2.26 -3.386522698e+00 2.28 -3.367378706e+00 2.30 -3.344894283e+00 2.32 -3.319435732e+00 2.34 -3.291341456e+00 2.36 -3.260923700e+00 2.38 -3.228470208e+00 2.40 -3.194245781e+00 2.42 -3.158493759e+00 2.44 -3.121437412e+00 2.46 -3.083281269e+00 2.48 -3.044212356e+00 2.50 -3.004401387e+00 2.52 -2.964003869e+00 2.54 -2.923161162e+00 2.56 -2.882001467e+00 2.58 -2.840640767e+00 2.60 -2.799183711e+00 2.62 -2.757724444e+00 2.64 -2.716347394e+00 2.66 -2.675128011e+00 2.68 -2.634133458e+00 2.70 -2.593423262e+00 2.72 -2.553049930e+00 2.74 -2.513059517e+00 2.76 -2.473492164e+00 2.78 -2.434382600e+00 2.80 -2.395760609e+00 2.82 -2.357651465e+00 2.84 -2.320076343e+00 2.86 -2.283052691e+00 2.88 -2.246594585e+00 2.90 -2.210713053e+00 2.92 -2.175416374e+00 2.94 -2.140710361e+00 2.96 -2.106598611e+00 2.98 -2.073082746e+00 3.00 -2.040162629e+00 3.02 -2.007836562e+00 3.04 -1.976101471e+00 3.06 -1.944953072e+00 3.08 -1.914386022e+00 3.10 -1.884394058e+00 3.12 -1.854970127e+00 3.14 -1.826106496e+00 3.16 -1.797794858e+00 3.18 -1.770026423e+00 3.20 -1.742792008e+00 3.22 -1.716082108e+00 3.24 -1.689886964e+00 3.26 -1.664196627e+00 3.28 -1.639001012e+00 3.30 -1.614289943e+00 3.32 -1.590053200e+00 3.34 -1.566280552e+00 3.36 -1.542961798e+00 3.38 -1.520086788e+00 3.40 -1.497645451e+00 3.42 -1.475627822e+00 3.44 -1.454024053e+00 3.46 -1.432824435e+00 3.48 -1.412019411e+00 3.50 -1.391599584e+00 3.52 -1.371555730e+00 3.54 -1.351878807e+00 3.56 -1.332559955e+00 3.58 -1.313590509e+00 3.60 -1.294961994e+00 3.62 -1.276666136e+00 3.64 -1.258694855e+00 3.66 -1.241040273e+00 3.68 -1.223694709e+00 3.70 -1.206650679e+00 3.72 -1.189900896e+00 3.74 -1.173438268e+00 3.76 -1.157229478e+00 3.78 -1.140728609e+00 3.80 -1.122206010e+00 3.82 -1.098714081e+00 3.84 -1.066157526e+00 3.86 -1.019370273e+00 3.88 -9.522359176e-01 3.90 -8.579626885e-01 3.92 -7.298036306e-01 3.94 -5.629421285e-01 3.96 -3.593720401e-01 3.98 -1.411856461e-01 4.00 -1.829732913e-28 4.02 0.000000000e+00 4.04 0.000000000e+00 4.06 0.000000000e+00 4.08 0.000000000e+00 4.10 0.000000000e+00 4.12 0.000000000e+00 4.14 0.000000000e+00 4.16 0.000000000e+00 4.18 0.000000000e+00 4.20 0.000000000e+00 4.22 0.000000000e+00 4.24 0.000000000e+00 4.26 0.000000000e+00 4.28 0.000000000e+00 4.30 0.000000000e+00 4.32 0.000000000e+00 4.34 0.000000000e+00 4.36 0.000000000e+00 4.38 0.000000000e+00 4.40 0.000000000e+00 4.42 0.000000000e+00 4.44 0.000000000e+00 4.46 0.000000000e+00 4.48 0.000000000e+00 4.50 0.000000000e+00 4.52 0.000000000e+00 4.54 0.000000000e+00 4.56 0.000000000e+00 4.58 0.000000000e+00 4.60 0.000000000e+00 4.62 0.000000000e+00 4.64 0.000000000e+00 4.66 0.000000000e+00 4.68 0.000000000e+00 4.70 0.000000000e+00 4.72 0.000000000e+00 4.74 0.000000000e+00 4.76 0.000000000e+00 4.78 0.000000000e+00 4.80 0.000000000e+00 4.82 0.000000000e+00 4.84 0.000000000e+00 4.86 0.000000000e+00 4.88 0.000000000e+00 4.90 0.000000000e+00 4.92 0.000000000e+00 4.94 0.000000000e+00 4.96 0.000000000e+00 4.98 0.000000000e+00 5.00 0.000000000e+00 5.02 0.000000000e+00 5.04 0.000000000e+00 5.06 0.000000000e+00 5.08 0.000000000e+00 5.10 0.000000000e+00 5.12 0.000000000e+00 5.14 0.000000000e+00 5.16 0.000000000e+00 5.18 0.000000000e+00 5.20 0.000000000e+00 5.22 0.000000000e+00 5.24 0.000000000e+00 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