# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2023--Daw-M-S-Chandross-M--Au # implementation = 2023--Daw-M-S--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 2026-08-31 r Au Au 0.02 4.898009578e+04 0.04 4.508984809e+04 0.06 4.135200407e+04 0.08 3.776017931e+04 0.10 3.430828339e+04 0.12 3.099050475e+04 0.14 2.780129640e+04 0.16 2.473536252e+04 0.18 2.178764572e+04 0.20 1.895331511e+04 0.22 1.634310184e+04 0.24 1.409852680e+04 0.26 1.216972678e+04 0.28 1.051206075e+04 0.30 9.087175747e+03 0.32 7.862126706e+03 0.34 6.808618703e+03 0.36 5.902354675e+03 0.38 5.122474025e+03 0.40 4.451069535e+03 0.42 3.872771709e+03 0.44 3.374391222e+03 0.46 2.944611371e+03 0.48 2.573723613e+03 0.50 2.253400172e+03 0.52 1.976498568e+03 0.54 1.736893613e+03 0.56 1.529333047e+03 0.58 1.349313505e+03 0.60 1.192973985e+03 0.62 1.057004354e+03 0.64 9.385667973e+02 0.66 8.352283884e+02 0.68 7.449032198e+02 0.70 6.658027509e+02 0.72 5.963932157e+02 0.74 5.353590956e+02 0.76 4.815718001e+02 0.78 4.340628200e+02 0.80 3.920007208e+02 0.82 3.546714298e+02 0.84 3.214613518e+02 0.86 2.918429087e+02 0.88 2.653621605e+02 0.90 2.416282084e+02 0.92 2.203041265e+02 0.94 2.010992039e+02 0.96 1.837623080e+02 0.98 1.680762095e+02 1.00 1.538527289e+02 1.02 1.409285883e+02 1.04 1.291618654e+02 1.06 1.184289619e+02 1.08 1.086220141e+02 1.10 9.964667925e+01 1.12 9.142024412e+01 1.14 8.387000867e+01 1.16 7.693190479e+01 1.18 7.054931548e+01 1.20 6.467206544e+01 1.22 5.925555775e+01 1.24 5.426003531e+01 1.26 4.964994860e+01 1.28 4.539341424e+01 1.30 4.146175088e+01 1.32 3.782908107e+01 1.34 3.447198938e+01 1.36 3.136922844e+01 1.38 2.850146592e+01 1.40 2.585106633e+01 1.42 2.340190251e+01 1.44 2.113919257e+01 1.46 1.904935840e+01 1.48 1.711990267e+01 1.50 1.533930167e+01 1.52 1.369691156e+01 1.54 1.218288624e+01 1.56 1.078810511e+01 1.58 9.504109293e+00 1.60 8.323045200e+00 1.62 7.237614335e+00 1.64 6.241028545e+00 1.66 5.326969953e+00 1.68 4.489554943e+00 1.70 3.723301687e+00 1.72 3.023100736e+00 1.74 2.384188318e+00 1.76 1.802121983e+00 1.78 1.272758346e+00 1.80 7.922326609e-01 1.82 3.569400323e-01 1.84 -3.648190887e-02 1.86 -3.911690281e-01 1.88 -7.100455329e-01 1.90 -9.958377570e-01 1.92 -1.251086982e+00 1.94 -1.478161381e+00 1.96 -1.679267167e+00 1.98 -1.856458997e+00 2.00 -2.011649709e+00 2.02 -2.146619432e+00 2.04 -2.263024113e+00 2.06 -2.362403518e+00 2.08 -2.446188724e+00 2.10 -2.515709154e+00 2.12 -2.572199172e+00 2.14 -2.616804270e+00 2.16 -2.650586886e+00 2.18 -2.674531849e+00 2.20 -2.689551503e+00 2.22 -2.696490505e+00 2.24 -2.696130335e+00 2.26 -2.689193525e+00 2.28 -2.676347622e+00 2.30 -2.658208913e+00 2.32 -2.635345909e+00 2.34 -2.608282619e+00 2.36 -2.577501609e+00 2.38 -2.543446876e+00 2.40 -2.506526535e+00 2.42 -2.467115333e+00 2.44 -2.425557009e+00 2.46 -2.382166493e+00 2.48 -2.337231968e+00 2.50 -2.291016796e+00 2.52 -2.243761319e+00 2.54 -2.195684538e+00 2.56 -2.146985684e+00 2.58 -2.097845684e+00 2.60 -2.048428529e+00 2.62 -1.998882545e+00 2.64 -1.949341586e+00 2.66 -1.899926140e+00 2.68 -1.850744361e+00 2.70 -1.801893028e+00 2.72 -1.753458441e+00 2.74 -1.705517253e+00 2.76 -1.658137241e+00 2.78 -1.611378026e+00 2.80 -1.565291742e+00 2.82 -1.519923653e+00 2.84 -1.475312732e+00 2.86 -1.431492192e+00 2.88 -1.388489981e+00 2.90 -1.346329243e+00 2.92 -1.305028740e+00 2.94 -1.264603250e+00 2.96 -1.225063923e+00 2.98 -1.186418626e+00 3.00 -1.148672247e+00 3.02 -1.111826988e+00 3.04 -1.075882627e+00 3.06 -1.040836760e+00 3.08 -1.006685033e+00 3.10 -9.734213443e-01 3.12 -9.410380358e-01 3.14 -9.095260716e-01 3.16 -8.788751970e-01 3.18 -8.490740875e-01 3.20 -8.201104845e-01 3.22 -7.919713202e-01 3.24 -7.646428307e-01 3.26 -7.381106612e-01 3.28 -7.123599604e-01 3.30 -6.873754675e-01 3.32 -6.631415913e-01 3.34 -6.396424818e-01 3.36 -6.168620954e-01 3.38 -5.947842543e-01 3.40 -5.733926996e-01 3.42 -5.526711396e-01 3.44 -5.326032931e-01 3.46 -5.131729289e-01 3.48 -4.943638999e-01 3.50 -4.761601749e-01 3.52 -4.585458662e-01 3.54 -4.415052539e-01 3.56 -4.250228077e-01 3.58 -4.090832059e-01 3.60 -3.936713518e-01 3.62 -3.787723883e-01 3.64 -3.643717096e-01 3.66 -3.504549722e-01 3.68 -3.370081030e-01 3.70 -3.240173069e-01 3.72 -3.114690722e-01 3.74 -2.993501751e-01 3.76 -2.876476832e-01 3.78 -2.763489572e-01 3.80 -2.654416527e-01 3.82 -2.549137203e-01 3.84 -2.447534053e-01 3.86 -2.349492465e-01 3.88 -2.254900750e-01 3.90 -2.163650113e-01 3.92 -2.075634632e-01 3.94 -1.990751220e-01 3.96 -1.908899597e-01 3.98 -1.829982247e-01 4.00 -1.753904374e-01 4.02 -1.680573865e-01 4.04 -1.609901238e-01 4.06 -1.541799597e-01 4.08 -1.476184579e-01 4.10 -1.412974309e-01 4.12 -1.352089343e-01 4.14 -1.293452619e-01 4.16 -1.236989401e-01 4.18 -1.182627228e-01 4.20 -1.130295863e-01 4.22 -1.079927232e-01 4.24 -1.031455377e-01 4.26 -9.848164022e-02 4.28 -9.399484177e-02 4.30 -8.967914903e-02 4.32 -8.552875905e-02 4.34 -8.153805413e-02 4.36 -7.770159675e-02 4.38 -7.401412457e-02 4.40 -7.047054556e-02 4.42 -6.706593310e-02 4.44 -6.379552130e-02 4.46 -6.065470030e-02 4.48 -5.763901169e-02 4.50 -5.474414408e-02 4.52 -5.196592868e-02 4.54 -4.930033502e-02 4.56 -4.674346677e-02 4.58 -4.429155762e-02 4.60 -4.194096748e-02 4.62 -3.968817820e-02 4.64 -3.752978994e-02 4.66 -3.546251750e-02 4.68 -3.348318672e-02 4.70 -3.158873096e-02 4.72 -2.977618768e-02 4.74 -2.804269508e-02 4.76 -2.638548892e-02 4.78 -2.480189930e-02 4.80 -2.328934768e-02 4.82 -2.184532713e-02 4.84 -2.046733018e-02 4.86 -1.915305461e-02 4.88 -1.790029589e-02 4.90 -1.670691900e-02 4.92 -1.557085711e-02 4.94 -1.449011018e-02 4.96 -1.346274341e-02 4.98 -1.248688572e-02 5.00 -1.156072816e-02 5.02 -1.068252228e-02 5.04 -9.850578526e-03 5.06 -9.063264564e-03 5.08 -8.319003680e-03 5.10 -7.616273136e-03 5.12 -6.953602558e-03 5.14 -6.329572336e-03 5.16 -5.742812058e-03 5.18 -5.191998953e-03 5.20 -4.675856379e-03 5.22 -4.193152327e-03 5.24 -3.742697969e-03 5.26 -3.323346231e-03 5.28 -2.933990411e-03 5.30 -2.573562816e-03 5.32 -2.241033456e-03 5.34 -1.935408758e-03 5.36 -1.655730320e-03 5.38 -1.401073709e-03 5.40 -1.170547285e-03 5.42 -9.632910668e-04 5.44 -7.784756284e-04 5.46 -6.153010364e-04 5.48 -4.729958155e-04 5.50 -3.508159501e-04 5.52 -2.480439186e-04 5.54 -1.639877586e-04 5.56 -9.798016436e-05 5.58 -4.937761409e-05 5.60 -1.755952665e-05 5.62 -1.927447450e-06 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