# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 1989--Adams-J-B-Foiles-S-M-Wolfer-W-G--Au # implementation = 1989--Adams-J-B--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 8.230558962e+04 0.04 3.863246391e+04 0.06 2.431154061e+04 0.08 1.721544482e+04 0.10 1.300604277e+04 0.12 1.023743279e+04 0.14 8.290023128e+03 0.16 6.854062400e+03 0.18 5.757687150e+03 0.20 4.897827368e+03 0.22 4.208838379e+03 0.24 3.647078978e+03 0.26 3.182368619e+03 0.28 2.793214258e+03 0.30 2.463932936e+03 0.32 2.182846475e+03 0.34 1.941094524e+03 0.36 1.731872096e+03 0.38 1.549855128e+03 0.40 1.390797100e+03 0.42 1.251254281e+03 0.44 1.128381119e+03 0.46 1.019809449e+03 0.48 9.235561033e+02 0.50 8.379530150e+02 0.52 7.615924263e+02 0.54 6.932821661e+02 0.56 6.320089401e+02 0.58 5.769082244e+02 0.60 5.272396059e+02 0.62 4.823665715e+02 0.64 4.417399178e+02 0.66 4.048742955e+02 0.68 3.713661828e+02 0.70 3.408523148e+02 0.72 3.130203159e+02 0.74 2.875953127e+02 0.76 2.643348261e+02 0.78 2.430244529e+02 0.80 2.234741964e+02 0.82 2.055153374e+02 0.84 1.889977555e+02 0.86 1.737876274e+02 0.88 1.597654412e+02 0.90 1.468242773e+02 0.92 1.348683181e+02 0.94 1.238115514e+02 0.96 1.135766417e+02 0.98 1.040939406e+02 1.00 9.530062308e+01 1.02 8.713992851e+01 1.04 7.956049542e+01 1.06 7.251577562e+01 1.08 6.596351769e+01 1.10 5.987441081e+01 1.12 5.420451718e+01 1.14 4.893097158e+01 1.16 4.402686043e+01 1.18 3.946790601e+01 1.20 3.523218495e+01 1.22 3.129987057e+01 1.24 2.765299618e+01 1.26 2.427523631e+01 1.28 2.115170419e+01 1.30 1.826876339e+01 1.32 1.561385186e+01 1.34 1.317531711e+01 1.36 1.094226106e+01 1.38 8.904394948e+00 1.40 7.051904151e+00 1.42 5.375323976e+00 1.44 3.865427606e+00 1.46 2.513128577e+00 1.48 1.309400553e+00 1.50 2.452170925e-01 1.52 -6.884861287e-01 1.54 -1.500825178e+00 1.56 -2.200956798e+00 1.58 -2.797273170e+00 1.60 -3.298847611e+00 1.62 -3.715316158e+00 1.64 -4.055526986e+00 1.66 -4.328024515e+00 1.68 -4.540965126e+00 1.70 -4.702041611e+00 1.72 -4.818420981e+00 1.74 -4.896697974e+00 1.76 -4.942273527e+00 1.78 -4.960456319e+00 1.80 -4.956734906e+00 1.82 -4.935315460e+00 1.84 -4.899841364e+00 1.86 -4.853433520e+00 1.88 -4.798734798e+00 1.90 -4.737956988e+00 1.92 -4.672928176e+00 1.94 -4.605139238e+00 1.96 -4.535788005e+00 1.98 -4.465820564e+00 2.00 -4.395968893e+00 2.02 -4.326769921e+00 2.04 -4.258736779e+00 2.06 -4.189365368e+00 2.08 -4.121436721e+00 2.10 -4.055331401e+00 2.12 -3.991067273e+00 2.14 -3.928613586e+00 2.16 -3.867902569e+00 2.18 -3.808840926e+00 2.20 -3.751318049e+00 2.22 -3.695212655e+00 2.24 -3.640398030e+00 2.26 -3.586746275e+00 2.28 -3.534131996e+00 2.30 -3.482434651e+00 2.32 -3.431538965e+00 2.34 -3.381339200e+00 2.36 -3.331736833e+00 2.38 -3.282643122e+00 2.40 -3.233978700e+00 2.42 -3.185673258e+00 2.44 -3.137665243e+00 2.46 -3.089904059e+00 2.48 -3.042342753e+00 2.50 -2.994949342e+00 2.52 -2.947691767e+00 2.54 -2.900548090e+00 2.56 -2.853507280e+00 2.58 -2.806553532e+00 2.60 -2.759682276e+00 2.62 -2.712898162e+00 2.64 -2.666186394e+00 2.66 -2.619565889e+00 2.68 -2.573072152e+00 2.70 -2.526742488e+00 2.72 -2.480582271e+00 2.74 -2.434544136e+00 2.76 -2.388594934e+00 2.78 -2.342719109e+00 2.80 -2.296911279e+00 2.82 -2.251201245e+00 2.84 -2.205653776e+00 2.86 -2.160330987e+00 2.88 -2.115291542e+00 2.90 -2.070588936e+00 2.92 -2.026200835e+00 2.94 -1.982132652e+00 2.96 -1.938426534e+00 2.98 -1.895123681e+00 3.00 -1.852264003e+00 3.02 -1.809885841e+00 3.04 -1.768024117e+00 3.06 -1.726430867e+00 3.08 -1.685045308e+00 3.10 -1.644040739e+00 3.12 -1.603563137e+00 3.14 -1.563734518e+00 3.16 -1.524655900e+00 3.18 -1.486409915e+00 3.20 -1.449063109e+00 3.22 -1.412667976e+00 3.24 -1.377317504e+00 3.26 -1.343346673e+00 3.28 -1.310473655e+00 3.30 -1.278357336e+00 3.32 -1.246726838e+00 3.34 -1.215371290e+00 3.36 -1.184130852e+00 3.38 -1.152888840e+00 3.40 -1.121564831e+00 3.42 -1.090108644e+00 3.44 -1.058495088e+00 3.46 -1.026719399e+00 3.48 -9.947932789e-01 3.50 -9.627414726e-01 3.52 -9.305988249e-01 3.54 -8.984077542e-01 3.56 -8.661173165e-01 3.58 -8.337320834e-01 3.60 -8.014609677e-01 3.62 -7.694810094e-01 3.64 -7.379392751e-01 3.66 -7.069566922e-01 3.68 -6.766314449e-01 3.70 -6.470419806e-01 3.72 -6.182496667e-01 3.74 -5.903011366e-01 3.76 -5.632303562e-01 3.78 -5.370604431e-01 3.80 -5.118052653e-01 3.82 -4.874708449e-01 3.84 -4.640565860e-01 3.86 -4.415563483e-01 3.88 -4.199593830e-01 3.90 -3.992511481e-01 3.92 -3.794140165e-01 3.94 -3.604278883e-01 3.96 -3.422707193e-01 3.98 -3.249189764e-01 4.00 -3.083480283e-01 4.02 -2.925324796e-01 4.04 -2.774464541e-01 4.06 -2.630638345e-01 4.08 -2.493584652e-01 4.10 -2.363043212e-01 4.12 -2.238756488e-01 4.14 -2.120470797e-01 4.16 -2.007937254e-01 4.18 -1.900912516e-01 4.20 -1.799159380e-01 4.22 -1.702447228e-01 4.24 -1.610552358e-01 4.26 -1.523258226e-01 4.28 -1.440355586e-01 4.30 -1.361642582e-01 4.32 -1.286924752e-01 4.34 -1.216015003e-01 4.36 -1.148733536e-01 4.38 -1.084907744e-01 4.40 -1.024372073e-01 4.42 -9.669678730e-02 4.44 -9.125432161e-02 4.46 -8.609527197e-02 4.48 -8.120573516e-02 4.50 -7.657242263e-02 4.52 -7.218263988e-02 4.54 -6.802426579e-02 4.56 -6.408573201e-02 4.58 -6.035600231e-02 4.60 -5.682455189e-02 4.62 -5.348134720e-02 4.64 -5.031682623e-02 4.66 -4.732187938e-02 4.68 -4.448783046e-02 4.70 -4.180641826e-02 4.72 -3.926977879e-02 4.74 -3.687042816e-02 4.76 -3.460124605e-02 4.78 -3.245545944e-02 4.80 -3.042662711e-02 4.82 -2.850862478e-02 4.84 -2.669563085e-02 4.86 -2.498211257e-02 4.88 -2.336281272e-02 4.90 -2.183273689e-02 4.92 -2.038714130e-02 4.94 -1.902152125e-02 4.96 -1.773159977e-02 4.98 -1.651331692e-02 5.00 -1.536281944e-02 5.02 -1.427645108e-02 5.04 -1.325074314e-02 5.06 -1.228240547e-02 5.08 -1.136831778e-02 5.10 -1.050552152e-02 5.12 -9.691212028e-03 5.14 -8.922731048e-03 5.16 -8.197559480e-03 5.18 -7.513310558e-03 5.20 -6.867723342e-03 5.22 -6.258656538e-03 5.24 -5.684082481e-03 5.26 -5.142081450e-03 5.28 -4.630836263e-03 5.30 -4.148627154e-03 5.32 -3.693826856e-03 5.34 -3.264895864e-03 5.36 -2.860377968e-03 5.38 -2.478896004e-03 5.40 -2.119147833e-03 5.42 -1.779902453e-03 5.44 -1.459996296e-03 5.46 -1.158329737e-03 5.48 -8.738637698e-04 5.50 -6.056168631e-04 5.52 -3.526619046e-04 5.54 -1.125843444e-04 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