# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2005--Grochola-G-Russo-S-P-Snook-I-K--Au # implementation = 2005--Grochola-G--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 9.083021775e+02 0.04 8.833881309e+02 0.06 8.592298071e+02 0.08 8.359050232e+02 0.10 8.134082265e+02 0.12 7.915652403e+02 0.14 7.702490773e+02 0.16 7.493549207e+02 0.18 7.287999221e+02 0.20 7.085263326e+02 0.22 6.885962287e+02 0.24 6.690389559e+02 0.26 6.498509607e+02 0.28 6.310286895e+02 0.30 6.125685885e+02 0.32 5.944671043e+02 0.34 5.767206833e+02 0.36 5.593257717e+02 0.38 5.422788159e+02 0.40 5.255762625e+02 0.42 5.092145576e+02 0.44 4.931901478e+02 0.46 4.774994794e+02 0.48 4.621389988e+02 0.50 4.471051523e+02 0.52 4.323943864e+02 0.54 4.180031475e+02 0.56 4.039278818e+02 0.58 3.901650359e+02 0.60 3.767110561e+02 0.62 3.635623887e+02 0.64 3.507154802e+02 0.66 3.381667769e+02 0.68 3.259127253e+02 0.70 3.139497716e+02 0.72 3.022743624e+02 0.74 2.908829439e+02 0.76 2.797719626e+02 0.78 2.689378649e+02 0.80 2.583770970e+02 0.82 2.480861055e+02 0.84 2.380613367e+02 0.86 2.282992369e+02 0.88 2.187962526e+02 0.90 2.095488301e+02 0.92 2.005534159e+02 0.94 1.918064563e+02 0.96 1.833043976e+02 0.98 1.750436864e+02 1.00 1.670207689e+02 1.02 1.592320916e+02 1.04 1.516741007e+02 1.06 1.443432428e+02 1.08 1.372359642e+02 1.10 1.303487113e+02 1.12 1.236779304e+02 1.14 1.172200680e+02 1.16 1.109715704e+02 1.18 1.049288840e+02 1.20 9.908845524e+01 1.22 9.344673044e+01 1.24 8.800015601e+01 1.26 8.274517831e+01 1.28 7.767824376e+01 1.30 7.279579871e+01 1.32 6.809428957e+01 1.34 6.357016270e+01 1.36 5.921986450e+01 1.38 5.503984135e+01 1.40 5.102653964e+01 1.42 4.717640574e+01 1.44 4.348002763e+01 1.46 3.990708768e+01 1.48 3.645904864e+01 1.50 3.314248551e+01 1.52 2.996425338e+01 1.54 2.693135916e+01 1.56 2.405083184e+01 1.58 2.132959213e+01 1.60 1.877432231e+01 1.62 1.639088670e+01 1.64 1.418359856e+01 1.66 1.216055843e+01 1.68 1.033273938e+01 1.70 8.695472718e+00 1.72 7.234908530e+00 1.74 5.934440257e+00 1.76 4.780402271e+00 1.78 3.765959225e+00 1.80 2.874300820e+00 1.82 2.077387119e+00 1.84 1.379153286e+00 1.86 8.093079109e-01 1.88 3.799124345e-01 1.90 8.778679531e-02 1.92 -9.380694327e-02 1.94 -2.085258235e-01 1.96 -2.805533241e-01 1.98 -3.120605796e-01 2.00 -3.067985227e-01 2.02 -2.753360651e-01 2.04 -2.286358173e-01 2.06 -1.754831244e-01 2.08 -1.227325299e-01 2.10 -7.702051877e-02 2.12 -4.422519649e-02 2.14 -2.595705654e-02 2.16 -2.165734606e-02 2.18 -2.999229331e-02 2.20 -4.915497876e-02 2.22 -7.672265631e-02 2.24 -1.100948378e-01 2.26 -1.471161489e-01 2.28 -1.859752231e-01 2.30 -2.251012763e-01 2.32 -2.632573480e-01 2.34 -2.999891424e-01 2.36 -3.350803795e-01 2.38 -3.683616107e-01 2.40 -3.996947051e-01 2.42 -4.289620462e-01 2.44 -4.560591805e-01 2.46 -4.808899347e-01 2.48 -5.033632495e-01 2.50 -5.233912180e-01 2.52 -5.409277612e-01 2.54 -5.560865031e-01 2.56 -5.690209384e-01 2.58 -5.798846658e-01 2.60 -5.888313808e-01 2.62 -5.960148694e-01 2.64 -6.015890005e-01 2.66 -6.057077198e-01 2.68 -6.085250438e-01 2.70 -6.101950535e-01 2.72 -6.108565647e-01 2.74 -6.105871486e-01 2.76 -6.094490913e-01 2.78 -6.075047089e-01 2.80 -6.048163411e-01 2.82 -6.014463441e-01 2.84 -5.974570861e-01 2.86 -5.929109422e-01 2.88 -5.878702906e-01 2.90 -5.823975089e-01 2.92 -5.765477843e-01 2.94 -5.703475445e-01 2.96 -5.638160018e-01 2.98 -5.569723343e-01 3.00 -5.498356812e-01 3.02 -5.424251370e-01 3.04 -5.347597462e-01 3.06 -5.268584959e-01 3.08 -5.187403083e-01 3.10 -5.104240309e-01 3.12 -5.019331188e-01 3.14 -4.933097620e-01 3.16 -4.846009111e-01 3.18 -4.758536143e-01 3.20 -4.671150317e-01 3.22 -4.584324477e-01 3.24 -4.498532823e-01 3.26 -4.414250970e-01 3.28 -4.331955993e-01 3.30 -4.252126405e-01 3.32 -4.175090944e-01 3.34 -4.100574231e-01 3.36 -4.028148904e-01 3.38 -3.957386626e-01 3.40 -3.887858113e-01 3.42 -3.819133160e-01 3.44 -3.750780653e-01 3.46 -3.682368570e-01 3.48 -3.613463956e-01 3.50 -3.543632886e-01 3.52 -3.472572581e-01 3.54 -3.400508455e-01 3.56 -3.327798667e-01 3.58 -3.254802143e-01 3.60 -3.181878622e-01 3.62 -3.109388686e-01 3.64 -3.037693775e-01 3.66 -2.967156193e-01 3.68 -2.898139083e-01 3.70 -2.831006391e-01 3.72 -2.766031215e-01 3.74 -2.703120501e-01 3.76 -2.642089070e-01 3.78 -2.582751140e-01 3.80 -2.524920364e-01 3.82 -2.468409858e-01 3.84 -2.413032226e-01 3.86 -2.358599580e-01 3.88 -2.304923548e-01 3.90 -2.251815280e-01 3.92 -2.199104398e-01 3.94 -2.146696006e-01 3.96 -2.094514066e-01 3.98 -2.042482468e-01 4.00 -1.990525030e-01 4.02 -1.938565491e-01 4.04 -1.886527515e-01 4.06 -1.834334679e-01 4.08 -1.781910477e-01 4.10 -1.729178309e-01 4.12 -1.676117379e-01 4.14 -1.622930624e-01 4.16 -1.569877467e-01 4.18 -1.517218001e-01 4.20 -1.465212997e-01 4.22 -1.414123898e-01 4.24 -1.364212801e-01 4.26 -1.315742421e-01 4.28 -1.268976044e-01 4.30 -1.224177460e-01 4.32 -1.181560247e-01 4.34 -1.141135547e-01 4.36 -1.102863571e-01 4.38 -1.066704197e-01 4.40 -1.032616996e-01 4.42 -1.000561247e-01 4.44 -9.704959633e-02 4.46 -9.423799097e-02 4.48 -9.161716256e-02 4.50 -8.918294445e-02 4.52 -8.692496160e-02 4.54 -8.480805842e-02 4.56 -8.279086231e-02 4.58 -8.083197740e-02 4.60 -7.888998799e-02 4.62 -7.692346002e-02 4.64 -7.489094037e-02 4.66 -7.275095408e-02 4.68 -7.046199943e-02 4.70 -6.798254080e-02 4.72 -6.528591328e-02 4.74 -6.240507824e-02 4.76 -5.938792536e-02 4.78 -5.628237299e-02 4.80 -5.313637534e-02 4.82 -4.999792784e-02 4.84 -4.691507050e-02 4.86 -4.393588938e-02 4.88 -4.110851604e-02 4.90 -3.848112491e-02 4.92 -3.608929597e-02 4.94 -3.391809594e-02 4.96 -3.193994468e-02 4.98 -3.012724541e-02 5.00 -2.845238641e-02 5.02 -2.688774270e-02 5.04 -2.540567753e-02 5.06 -2.397854373e-02 5.08 -2.257868495e-02 5.10 -2.117843667e-02 5.12 -1.975625606e-02 5.14 -1.831511023e-02 5.16 -1.686409177e-02 5.18 -1.541229031e-02 5.20 -1.396879271e-02 5.22 -1.254268330e-02 5.24 -1.114304398e-02 5.26 -9.778954303e-03 5.28 -8.459491587e-03 5.30 -7.193730899e-03 5.32 -5.991257257e-03 5.34 -4.863705341e-03 5.36 -3.823228382e-03 5.38 -2.881986397e-03 5.40 -2.052145371e-03 5.42 -1.345870891e-03 5.44 -7.753337293e-04 5.46 -3.527316923e-04 5.48 -9.023579056e-05 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