# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2003--Lee-B-J-Shim-J-H-Baskes-M-I--Au # implementation = 2003--Lee-B-J--Au--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 Au Au 0.02 9.137738333e+03 0.04 8.574107224e+03 0.06 8.044300458e+03 0.08 7.546332528e+03 0.10 7.078332319e+03 0.12 6.638536624e+03 0.14 6.225284022e+03 0.16 5.837009098e+03 0.18 5.472236989e+03 0.20 5.129578231e+03 0.22 4.807723899e+03 0.24 4.505441015e+03 0.26 4.221568220e+03 0.28 3.955011685e+03 0.30 3.704741250e+03 0.32 3.469786785e+03 0.34 3.249234752e+03 0.36 3.042224965e+03 0.38 2.847947527e+03 0.40 2.665639944e+03 0.42 2.494584403e+03 0.44 2.334105200e+03 0.46 2.183566316e+03 0.48 2.042369129e+03 0.50 1.909950259e+03 0.52 1.785779529e+03 0.54 1.669358050e+03 0.56 1.560216408e+03 0.58 1.457912955e+03 0.60 1.362032203e+03 0.62 1.272183303e+03 0.64 1.187998611e+03 0.66 1.109132345e+03 0.68 1.035259303e+03 0.70 9.660736704e+02 0.72 9.012878843e+02 0.74 8.406315691e+02 0.76 7.838505301e+02 0.78 7.307058065e+02 0.80 6.809727779e+02 0.82 6.344403227e+02 0.84 5.909100249e+02 0.86 5.501954264e+02 0.88 5.121213228e+02 0.90 4.765230994e+02 0.92 4.432461064e+02 0.94 4.121450691e+02 0.96 3.830835337e+02 0.98 3.559333438e+02 1.00 3.305741484e+02 1.02 3.068929381e+02 1.04 2.847836080e+02 1.06 2.641465468e+02 1.08 2.448882490e+02 1.10 2.269209504e+02 1.12 2.101622847e+02 1.14 1.945349602e+02 1.16 1.799664552e+02 1.18 1.663887319e+02 1.20 1.537379661e+02 1.22 1.419542940e+02 1.24 1.309815731e+02 1.26 1.207671573e+02 1.28 1.112616853e+02 1.30 1.024188817e+02 1.32 9.419536999e+01 1.34 8.655049584e+01 1.36 7.944616177e+01 1.38 7.284667120e+01 1.40 6.671858179e+01 1.42 6.103056760e+01 1.44 5.575328948e+01 1.46 5.085927307e+01 1.48 4.632279429e+01 1.50 4.211977150e+01 1.52 3.822766424e+01 1.54 3.462537803e+01 1.56 3.129317489e+01 1.58 2.821258920e+01 1.60 2.536634875e+01 1.62 2.273830042e+01 1.64 2.031334050e+01 1.66 1.807734909e+01 1.68 1.601712862e+01 1.70 1.412034599e+01 1.72 1.237547833e+01 1.74 1.077176198e+01 1.76 9.299144675e+00 1.78 7.948240605e+00 1.80 6.710288234e+00 1.82 5.577110731e+00 1.84 4.541078823e+00 1.86 3.595075953e+00 1.88 2.732465576e+00 1.90 1.947060492e+00 1.92 1.233094081e+00 1.94 5.851933222e-01 1.96 -1.646495564e-03 1.98 -5.320854928e-01 2.00 -1.010461427e+00 2.02 -1.440810527e+00 2.04 -1.826887020e+00 2.06 -2.172181419e+00 2.08 -2.479937669e+00 2.10 -2.753169195e+00 2.12 -2.994673941e+00 2.14 -3.207048452e+00 2.16 -3.392701059e+00 2.18 -3.553864228e+00 2.20 -3.692606124e+00 2.22 -3.810841438e+00 2.24 -3.910341526e+00 2.26 -3.992743909e+00 2.28 -4.059561175e+00 2.30 -4.112189316e+00 2.32 -4.151915554e+00 2.34 -4.179925681e+00 2.36 -4.197310952e+00 2.38 -4.205074564e+00 2.40 -4.204137754e+00 2.42 -4.195345545e+00 2.44 -4.179472164e+00 2.46 -4.157226169e+00 2.48 -4.129255288e+00 2.50 -4.096151021e+00 2.52 -4.058452993e+00 2.54 -4.016653098e+00 2.56 -3.971199436e+00 2.58 -3.922500051e+00 2.60 -3.870926489e+00 2.62 -3.816817165e+00 2.64 -3.760480557e+00 2.66 -3.702198199e+00 2.68 -3.642227504e+00 2.70 -3.580804372e+00 2.72 -3.518145605e+00 2.74 -3.454451100e+00 2.76 -3.389905833e+00 2.78 -3.324681596e+00 2.80 -3.258938525e+00 2.82 -3.192826377e+00 2.84 -3.126485592e+00 2.86 -3.060048136e+00 2.88 -2.993638137e+00 2.90 -2.927372346e+00 2.92 -2.861360432e+00 2.94 -2.795705150e+00 2.96 -2.730502417e+00 2.98 -2.665841306e+00 3.00 -2.601804018e+00 3.02 -2.538465833e+00 3.04 -2.475895093e+00 3.06 -2.414153212e+00 3.08 -2.353294749e+00 3.10 -2.293367539e+00 3.12 -2.234412895e+00 3.14 -2.176465880e+00 3.16 -2.119555631e+00 3.18 -2.063705737e+00 3.20 -2.008934652e+00 3.22 -1.955256133e+00 3.24 -1.902679681e+00 3.26 -1.851210983e+00 3.28 -1.800852332e+00 3.30 -1.751603031e+00 3.32 -1.703459753e+00 3.34 -1.656416879e+00 3.36 -1.610466798e+00 3.38 -1.565600165e+00 3.40 -1.521806134e+00 3.42 -1.479072564e+00 3.44 -1.437386192e+00 3.46 -1.396732787e+00 3.48 -1.357097294e+00 3.50 -1.318463945e+00 3.52 -1.280816376e+00 3.54 -1.244137719e+00 3.56 -1.208410690e+00 3.58 -1.173617671e+00 3.60 -1.139740778e+00 3.62 -1.106761927e+00 3.64 -1.074662896e+00 3.66 -1.043425374e+00 3.68 -1.013031011e+00 3.70 -9.834614633e-01 3.72 -9.546984309e-01 3.74 -9.267236935e-01 3.76 -8.995191422e-01 3.78 -8.730668078e-01 3.80 -8.473488860e-01 3.82 -8.223477600e-01 3.84 -7.980460198e-01 3.86 -7.744264798e-01 3.88 -7.514721940e-01 3.90 -7.291664689e-01 3.92 -7.074928747e-01 3.94 -6.864352549e-01 3.96 -6.659777343e-01 3.98 -6.461047255e-01 4.00 -6.268009342e-01 4.02 -6.080513631e-01 4.04 -5.898413151e-01 4.06 -5.721563955e-01 4.08 -5.549825126e-01 4.10 -5.383058788e-01 4.12 -5.221130098e-01 4.14 -5.063907236e-01 4.16 -4.911261391e-01 4.18 -4.763066743e-01 4.20 -4.619200431e-01 4.22 -4.479542530e-01 4.24 -4.343976015e-01 4.26 -4.212386725e-01 4.28 -4.084663327e-01 4.30 -3.960697270e-01 4.32 -3.840382746e-01 4.34 -3.723616643e-01 4.36 -3.610298499e-01 4.38 -3.500330455e-01 4.40 -3.393617205e-01 4.42 -3.281457899e-01 4.44 -3.056702271e-01 4.46 -2.458803139e-01 4.48 -1.239922341e-01 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