# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 1986--Foiles-S-M-Baskes-M-I-Daw-M-S--Au # implementation = 1986--Foiles-S-M--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 8.233017311e+04 0.04 3.865170181e+04 0.06 2.432816136e+04 0.08 1.723015996e+04 0.10 1.301919628e+04 0.12 1.024924162e+04 0.14 8.300646655e+03 0.16 6.863629112e+03 0.18 5.766304663e+03 0.20 4.905590938e+03 0.22 4.215834325e+03 0.24 3.653387468e+03 0.26 3.188064782e+03 0.28 2.798369221e+03 0.30 2.468612847e+03 0.32 2.187114406e+03 0.34 1.945007987e+03 0.36 1.735482458e+03 0.38 1.553208586e+03 0.40 1.393934675e+03 0.42 1.254212388e+03 0.44 1.131193046e+03 0.46 1.022504556e+03 0.48 9.261600151e+02 0.50 8.404876753e+02 0.52 7.640762628e+02 0.54 6.957303459e+02 0.56 6.344336661e+02 0.58 5.793190421e+02 0.60 5.296437007e+02 0.62 4.847690497e+02 0.64 4.441440673e+02 0.66 4.072790525e+02 0.68 3.737768869e+02 0.70 3.432691878e+02 0.72 3.154421290e+02 0.74 2.900196327e+02 0.76 2.667582518e+02 0.78 2.454428399e+02 0.80 2.258828646e+02 0.82 2.079092612e+02 0.84 1.913717342e+02 0.86 1.761364358e+02 0.88 1.620839592e+02 0.90 1.491075990e+02 0.92 1.371118416e+02 0.94 1.260110501e+02 0.96 1.157283176e+02 0.98 1.061944624e+02 1.00 9.734714901e+01 1.02 8.913011764e+01 1.04 8.149250699e+01 1.06 7.438825942e+01 1.08 6.777559657e+01 1.10 6.162869853e+01 1.12 5.589647585e+01 1.14 5.055977980e+01 1.16 4.559197655e+01 1.18 4.096905454e+01 1.20 3.666934204e+01 1.22 3.267324876e+01 1.24 2.896302853e+01 1.26 2.552256030e+01 1.28 2.233714531e+01 1.30 1.939331864e+01 1.32 1.667867313e+01 1.34 1.418169454e+01 1.36 1.189160655e+01 1.38 9.798225807e+00 1.40 7.891827084e+00 1.42 6.163019653e+00 1.44 4.602636006e+00 1.46 3.201635414e+00 1.48 1.951025053e+00 1.50 8.418013518e-01 1.52 -1.350860460e-01 1.54 -9.887463557e-01 1.56 -1.728334944e+00 1.58 -2.362121936e+00 1.60 -2.899519411e+00 1.62 -3.349966458e+00 1.64 -3.722320545e+00 1.66 -4.025138972e+00 1.68 -4.266595401e+00 1.70 -4.454405224e+00 1.72 -4.595764245e+00 1.74 -4.697303298e+00 1.76 -4.764353383e+00 1.78 -4.802552537e+00 1.80 -4.817276719e+00 1.82 -4.812793878e+00 1.84 -4.792815566e+00 1.86 -4.760535141e+00 1.88 -4.718670976e+00 1.90 -4.669512209e+00 1.92 -4.614965062e+00 1.94 -4.556598193e+00 1.96 -4.495686083e+00 1.98 -4.433249518e+00 2.00 -4.370092607e+00 2.02 -4.306842577e+00 2.04 -4.243749188e+00 2.06 -4.179101069e+00 2.08 -4.115262955e+00 2.10 -4.052710955e+00 2.12 -3.991519916e+00 2.14 -3.931705630e+00 2.16 -3.873244647e+00 2.18 -3.816084442e+00 2.20 -3.760151770e+00 2.22 -3.705359486e+00 2.24 -3.651612048e+00 2.26 -3.598810080e+00 2.28 -3.546854230e+00 2.30 -3.495646601e+00 2.32 -3.445093509e+00 2.34 -3.395108396e+00 2.36 -3.345608991e+00 2.38 -3.296523323e+00 2.40 -3.247783954e+00 2.42 -3.199334910e+00 2.44 -3.151123593e+00 2.46 -3.103110632e+00 2.48 -3.055257325e+00 2.50 -3.007537825e+00 2.52 -2.959929934e+00 2.54 -2.912414782e+00 2.56 -2.864986618e+00 2.58 -2.817637232e+00 2.60 -2.770362714e+00 2.62 -2.723170981e+00 2.64 -2.676058541e+00 2.66 -2.629030534e+00 2.68 -2.582125953e+00 2.70 -2.535385152e+00 2.72 -2.488838228e+00 2.74 -2.442445365e+00 2.76 -2.396162205e+00 2.78 -2.349964159e+00 2.80 -2.303840652e+00 2.82 -2.257803485e+00 2.84 -2.211920615e+00 2.86 -2.166262176e+00 2.88 -2.120893335e+00 2.90 -2.075874541e+00 2.92 -2.031221440e+00 2.94 -1.986904284e+00 2.96 -1.942959974e+00 2.98 -1.899426724e+00 3.00 -1.856342020e+00 3.02 -1.813742261e+00 3.04 -1.771662463e+00 3.06 -1.729996857e+00 3.08 -1.688509178e+00 3.10 -1.647361821e+00 3.12 -1.606708305e+00 3.14 -1.566677200e+00 3.16 -1.527375206e+00 3.18 -1.488889864e+00 3.20 -1.451291950e+00 3.22 -1.414637590e+00 3.24 -1.378972605e+00 3.26 -1.344624483e+00 3.28 -1.311505163e+00 3.30 -1.279249645e+00 3.32 -1.247566521e+00 3.34 -1.216227342e+00 3.36 -1.185057273e+00 3.38 -1.153926901e+00 3.40 -1.122745054e+00 3.42 -1.091452529e+00 3.44 -1.060016615e+00 3.46 -1.028426332e+00 3.48 -9.966882916e-01 3.50 -9.648231251e-01 3.52 -9.328623971e-01 3.54 -9.008459619e-01 3.56 -8.687737986e-01 3.58 -8.365705336e-01 3.60 -8.044266304e-01 3.62 -7.725277605e-01 3.64 -7.410284845e-01 3.66 -7.100562218e-01 3.68 -6.797147682e-01 3.70 -6.500874093e-01 3.72 -6.212396727e-01 3.74 -5.932217585e-01 3.76 -5.660706803e-01 3.78 -5.398121504e-01 3.80 -5.144622376e-01 3.82 -4.900288214e-01 3.84 -4.665128661e-01 3.86 -4.439095334e-01 3.88 -4.222091545e-01 3.90 -4.013980750e-01 3.92 -3.814593908e-01 3.94 -3.623735836e-01 3.96 -3.441190699e-01 3.98 -3.266726746e-01 4.00 -3.100100371e-01 4.02 -2.941059591e-01 4.04 -2.789346995e-01 4.06 -2.644702244e-01 4.08 -2.506864186e-01 4.10 -2.375572620e-01 4.12 -2.250569769e-01 4.14 -2.131601477e-01 4.16 -2.018418196e-01 4.18 -1.910775776e-01 4.20 -1.808436093e-01 4.22 -1.711167524e-01 4.24 -1.618745307e-01 4.26 -1.530951791e-01 4.28 -1.447576607e-01 4.30 -1.368416763e-01 4.32 -1.293276667e-01 4.34 -1.221968104e-01 4.36 -1.154310175e-01 4.38 -1.090129196e-01 4.40 -1.029258567e-01 4.42 -9.715386207e-02 4.44 -9.168164517e-02 4.46 -8.649457335e-02 4.48 -8.157865282e-02 4.50 -7.692050825e-02 4.52 -7.250736219e-02 4.54 -6.832701431e-02 4.56 -6.436782080e-02 4.58 -6.061867357e-02 4.60 -5.706897952e-02 4.62 -5.370864020e-02 4.64 -5.052803203e-02 4.66 -4.751798702e-02 4.68 -4.466977363e-02 4.70 -4.197507822e-02 4.72 -3.942598719e-02 4.74 -3.701496966e-02 4.76 -3.473486087e-02 4.78 -3.257884579e-02 4.80 -3.054044346e-02 4.82 -2.861349203e-02 4.84 -2.679213437e-02 4.86 -2.507080421e-02 4.88 -2.344421261e-02 4.90 -2.190733517e-02 4.92 -2.045539980e-02 4.94 -1.908387506e-02 4.96 -1.778845872e-02 4.98 -1.656506693e-02 5.00 -1.540982390e-02 5.02 -1.431905204e-02 5.04 -1.328926255e-02 5.06 -1.231714622e-02 5.08 -1.139956483e-02 5.10 -1.053354283e-02 5.12 -9.716259521e-03 5.14 -8.945041503e-03 5.16 -8.217355360e-03 5.18 -7.530800805e-03 5.20 -6.883104128e-03 5.22 -6.272111970e-03 5.24 -5.695785272e-03 5.26 -5.152193551e-03 5.28 -4.639509459e-03 5.30 -4.156003632e-03 5.32 -3.700039741e-03 5.34 -3.270069723e-03 5.36 -2.864629290e-03 5.38 -2.482333650e-03 5.40 -2.121873471e-03 5.42 -1.782010956e-03 5.44 -1.461576131e-03 5.46 -1.159463324e-03 5.48 -8.746278303e-04 5.50 -6.060827402e-04 5.52 -3.528958739e-04 5.54 -1.126472077e-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