# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 1987--Ackland-G-J-Tichy-G-Vitek-V-Finnis-M-W--Au # implementation = 1987--Ackland-G-J--Au--LAMMPS--ipr2 # 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 3.493050739e+06 0.04 1.409021393e+06 0.06 7.770917844e+05 0.08 4.903550013e+05 0.10 3.339310450e+05 0.12 2.389194986e+05 0.14 1.770086052e+05 0.16 1.346244446e+05 0.18 1.045265620e+05 0.20 8.253922312e+04 0.22 6.610739227e+04 0.24 5.359412117e+04 0.26 4.391163531e+04 0.28 3.631536301e+04 0.30 3.028301247e+04 0.32 2.544056911e+04 0.34 2.151541069e+04 0.36 1.830572388e+04 0.38 1.566005342e+04 0.40 1.346333211e+04 0.42 1.162715946e+04 0.44 1.008292607e+04 0.46 8.776879864e+03 0.48 7.666539749e+03 0.50 6.718058000e+03 0.52 5.904259513e+03 0.54 5.203169856e+03 0.56 4.596900111e+03 0.58 4.070794828e+03 0.60 3.612775751e+03 0.62 3.212832531e+03 0.64 2.862624651e+03 0.66 2.555168156e+03 0.68 2.284587513e+03 0.70 2.045917834e+03 0.72 1.834946292e+03 0.74 1.648084248e+03 0.76 1.482263551e+03 0.78 1.334852024e+03 0.80 1.203584216e+03 0.82 1.086504392e+03 0.84 9.819193877e+02 0.86 8.883594377e+02 0.88 8.045454936e+02 0.90 7.293618471e+02 0.92 6.618331064e+02 0.94 6.011047613e+02 0.96 5.464267220e+02 0.98 4.971393275e+02 1.00 4.526613309e+02 1.02 4.092776224e+02 1.04 3.648933354e+02 1.06 3.211595080e+02 1.08 2.793617990e+02 1.10 2.404180964e+02 1.12 2.049077277e+02 1.14 1.731204749e+02 1.16 1.451148054e+02 1.18 1.207770194e+02 1.20 9.987561120e+01 1.22 8.210755494e+01 1.24 6.713518629e+01 1.26 5.461375994e+01 1.28 4.421064158e+01 1.30 3.561753743e+01 1.32 2.855728875e+01 1.34 2.278667732e+01 1.36 1.809649370e+01 1.38 1.430988271e+01 1.40 1.127974508e+01 1.42 8.885767272e+00 1.44 7.031484995e+00 1.46 5.641664897e+00 1.48 4.660211273e+00 1.50 4.048767103e+00 1.52 3.620963712e+00 1.54 3.207250240e+00 1.56 2.807431443e+00 1.58 2.421308291e+00 1.60 2.048681661e+00 1.62 1.689352330e+00 1.64 1.343120977e+00 1.66 1.009788175e+00 1.68 6.891543915e-01 1.70 3.810199831e-01 1.72 8.518519203e-02 1.74 -1.985498575e-01 1.76 -4.703851631e-01 1.78 -7.305208485e-01 1.80 -9.791571678e-01 1.82 -1.216494510e+00 1.84 -1.442733404e+00 1.86 -1.658074524e+00 1.88 -1.862718692e+00 1.90 -2.056866888e+00 1.92 -2.240720251e+00 1.94 -2.414480088e+00 1.96 -2.578347880e+00 1.98 -2.732525286e+00 2.00 -2.877214155e+00 2.02 -3.012616527e+00 2.04 -3.138934645e+00 2.06 -3.256370964e+00 2.08 -3.365128154e+00 2.10 -3.465409116e+00 2.12 -3.557416984e+00 2.14 -3.641355140e+00 2.16 -3.717427225e+00 2.18 -3.785837144e+00 2.20 -3.846789085e+00 2.22 -3.900487525e+00 2.24 -3.947137246e+00 2.26 -3.986943347e+00 2.28 -4.020111260e+00 2.30 -4.046846762e+00 2.32 -4.067355994e+00 2.34 -4.081845475e+00 2.36 -4.090522119e+00 2.38 -4.093593255e+00 2.40 -4.091266647e+00 2.42 -4.083750510e+00 2.44 -4.071253536e+00 2.46 -4.053984912e+00 2.48 -4.032154346e+00 2.50 -4.005972090e+00 2.52 -3.975648965e+00 2.54 -3.941396388e+00 2.56 -3.903426399e+00 2.58 -3.861951689e+00 2.60 -3.817185628e+00 2.62 -3.769342297e+00 2.64 -3.718636517e+00 2.66 -3.665283880e+00 2.68 -3.609500778e+00 2.70 -3.551504436e+00 2.72 -3.491512941e+00 2.74 -3.429745269e+00 2.76 -3.366421311e+00 2.78 -3.301761902e+00 2.80 -3.235988834e+00 2.82 -3.169324872e+00 2.84 -3.101993766e+00 2.86 -3.034220245e+00 2.88 -2.966230007e+00 2.90 -2.898236695e+00 2.92 -2.830364944e+00 2.94 -2.762702242e+00 2.96 -2.695336702e+00 2.98 -2.628357073e+00 3.00 -2.561852588e+00 3.02 -2.495912789e+00 3.04 -2.430627265e+00 3.06 -2.366085361e+00 3.08 -2.302375820e+00 3.10 -2.239586333e+00 3.12 -2.177803032e+00 3.14 -2.117109872e+00 3.16 -2.057587825e+00 3.18 -1.999314242e+00 3.20 -1.942361601e+00 3.22 -1.886796695e+00 3.24 -1.832679320e+00 3.26 -1.780060844e+00 3.28 -1.728982832e+00 3.30 -1.679475463e+00 3.32 -1.631555895e+00 3.34 -1.585226609e+00 3.36 -1.540473386e+00 3.38 -1.497263385e+00 3.40 -1.455544156e+00 3.42 -1.415241629e+00 3.44 -1.376256322e+00 3.46 -1.338466796e+00 3.48 -1.301719872e+00 3.50 -1.265839325e+00 3.52 -1.230610422e+00 3.54 -1.195796985e+00 3.56 -1.161246063e+00 3.58 -1.126954836e+00 3.60 -1.092932324e+00 3.62 -1.059172714e+00 3.64 -1.025692998e+00 3.66 -9.924952627e-01 3.68 -9.595691402e-01 3.70 -9.269431902e-01 3.72 -8.946275511e-01 3.74 -8.625677810e-01 3.76 -8.308168878e-01 3.78 -7.994428900e-01 3.80 -7.681130543e-01 3.82 -7.364149744e-01 3.84 -7.052290663e-01 3.86 -6.752581676e-01 3.88 -6.470051281e-01 3.90 -6.212965485e-01 3.92 -5.974458735e-01 3.94 -5.732068019e-01 3.96 -5.470768616e-01 3.98 -5.181716345e-01 4.00 -4.860917115e-01 4.02 -4.508088954e-01 4.04 -4.123846176e-01 4.06 -3.718727525e-01 4.08 -3.309373624e-01 4.10 -2.907989780e-01 4.12 -2.523251110e-01 4.14 -2.160994003e-01 4.16 -1.824842005e-01 4.18 -1.516736731e-01 4.20 -1.237369901e-01 4.22 -9.865303091e-02 4.24 -7.633781949e-02 4.26 -5.666582637e-02 4.28 -3.948614145e-02 4.30 -2.463441086e-02 4.32 -1.194132708e-02 4.34 -1.238362421e-03 4.36 7.638655561e-03 4.38 1.484761370e-02 4.40 2.053939356e-02 4.42 2.485800038e-02 4.44 2.794124385e-02 4.46 2.992173333e-02 4.48 3.092800224e-02 4.50 3.108562219e-02 4.52 3.051820694e-02 4.54 2.934823851e-02 4.56 2.769767400e-02 4.58 2.568197637e-02 4.60 2.339400408e-02 4.62 2.092158489e-02 4.64 1.835254659e-02 4.66 1.577471696e-02 4.68 1.327592377e-02 4.70 1.094399480e-02 4.72 8.863659884e-03 4.74 7.064037814e-03 4.76 5.526146990e-03 4.78 4.229419924e-03 4.80 3.153289131e-03 4.82 2.277187122e-03 4.84 1.580546413e-03 4.86 1.042799515e-03 4.88 6.433789427e-04 4.90 3.617172090e-04 4.92 1.772468272e-04 4.94 6.940031076e-05 4.96 1.761017297e-05 4.98 1.308927174e-06 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