# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2010--Olsson-P-A-T--Au # implementation = 2010--Olsson-P-A-T--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 1.681661370e+03 0.04 1.637974096e+03 0.06 1.594624963e+03 0.08 1.551549273e+03 0.10 1.508695491e+03 0.12 1.466024724e+03 0.14 1.423510118e+03 0.16 1.381136195e+03 0.18 1.338898120e+03 0.20 1.296800921e+03 0.22 1.254858654e+03 0.24 1.213093537e+03 0.26 1.171535048e+03 0.28 1.130219006e+03 0.30 1.089186641e+03 0.32 1.048483661e+03 0.34 1.008159334e+03 0.36 9.682655742e+02 0.38 9.288560706e+02 0.40 8.899854373e+02 0.42 8.517084120e+02 0.44 8.140791012e+02 0.46 7.771502808e+02 0.48 7.409727549e+02 0.50 7.055947794e+02 0.52 6.710615517e+02 0.54 6.374147681e+02 0.56 6.046922523e+02 0.58 5.729276521e+02 0.60 5.421502063e+02 0.62 5.123845776e+02 0.64 4.836507509e+02 0.66 4.559639931e+02 0.68 4.293348707e+02 0.70 4.037693209e+02 0.72 3.792687712e+02 0.74 3.558303030e+02 0.76 3.334468539e+02 0.78 3.121074524e+02 0.80 2.917974805e+02 0.82 2.724989584e+02 0.84 2.541908463e+02 0.86 2.368493571e+02 0.88 2.204482770e+02 0.90 2.049592876e+02 0.92 1.903522868e+02 0.94 1.765957034e+02 0.96 1.636568031e+02 0.98 1.515019822e+02 1.00 1.400970472e+02 1.02 1.294074772e+02 1.04 1.193986681e+02 1.06 1.100361578e+02 1.08 1.012858305e+02 1.10 9.311409997e+01 1.12 8.548807213e+01 1.14 7.837568653e+01 1.16 7.174583736e+01 1.18 6.556847455e+01 1.20 5.981468592e+01 1.22 5.445676142e+01 1.24 4.946824039e+01 1.26 4.482394342e+01 1.28 4.049998989e+01 1.30 3.647388176e+01 1.32 3.277898741e+01 1.34 2.943094016e+01 1.36 2.639598234e+01 1.38 2.364343270e+01 1.40 2.114548008e+01 1.42 1.887697753e+01 1.44 1.681523936e+01 1.46 1.493984336e+01 1.48 1.323243999e+01 1.50 1.167656984e+01 1.52 1.025749047e+01 1.54 8.962013453e+00 1.56 7.778351974e+00 1.58 6.695979269e+00 1.60 5.705497947e+00 1.62 4.798520006e+00 1.64 3.967557264e+00 1.66 3.205921795e+00 1.68 2.507635877e+00 1.70 1.867350899e+00 1.72 1.280274637e+00 1.74 7.421062930e-01 1.76 2.489786632e-01 1.78 -2.025931560e-01 1.80 -6.157571314e-01 1.82 -9.933642892e-01 1.84 -1.338003885e+00 1.86 -1.652034253e+00 1.88 -1.937609806e+00 1.90 -2.196704621e+00 1.92 -2.431132999e+00 1.94 -2.642567374e+00 1.96 -2.832553883e+00 1.98 -3.002525903e+00 2.00 -3.153815797e+00 2.02 -3.287665130e+00 2.04 -3.405233534e+00 2.06 -3.507606413e+00 2.08 -3.595801662e+00 2.10 -3.670775507e+00 2.12 -3.733427620e+00 2.14 -3.784605591e+00 2.16 -3.825108861e+00 2.18 -3.855692181e+00 2.20 -3.877068684e+00 2.22 -3.889912600e+00 2.24 -3.894861689e+00 2.26 -3.892519419e+00 2.28 -3.883456923e+00 2.30 -3.868214772e+00 2.32 -3.847304590e+00 2.34 -3.821210519e+00 2.36 -3.790390572e+00 2.38 -3.755277868e+00 2.40 -3.716281780e+00 2.42 -3.673788993e+00 2.44 -3.628164492e+00 2.46 -3.579752474e+00 2.48 -3.528877211e+00 2.50 -3.475843842e+00 2.52 -3.420939132e+00 2.54 -3.364432168e+00 2.56 -3.306575022e+00 2.58 -3.247603369e+00 2.60 -3.187737074e+00 2.62 -3.127180736e+00 2.64 -3.066124206e+00 2.66 -3.004743072e+00 2.68 -2.943199119e+00 2.70 -2.881640755e+00 2.72 -2.820203420e+00 2.74 -2.759009967e+00 2.76 -2.698171022e+00 2.78 -2.637785321e+00 2.80 -2.577940030e+00 2.82 -2.518711045e+00 2.84 -2.460163275e+00 2.86 -2.402350908e+00 2.88 -2.345317660e+00 2.90 -2.289097104e+00 2.92 -2.233715070e+00 2.94 -2.179193627e+00 2.96 -2.125551956e+00 2.98 -2.072806539e+00 3.00 -2.020971327e+00 3.02 -1.970057912e+00 3.04 -1.920075678e+00 3.06 -1.871031947e+00 3.08 -1.822932117e+00 3.10 -1.775779791e+00 3.12 -1.729576898e+00 3.14 -1.684323812e+00 3.16 -1.640019453e+00 3.18 -1.596661398e+00 3.20 -1.554245968e+00 3.22 -1.512768329e+00 3.24 -1.472222567e+00 3.26 -1.432601777e+00 3.28 -1.393898135e+00 3.30 -1.356102974e+00 3.32 -1.319206845e+00 3.34 -1.283199590e+00 3.36 -1.248070394e+00 3.38 -1.213807849e+00 3.40 -1.180400006e+00 3.42 -1.147834423e+00 3.44 -1.116098219e+00 3.46 -1.085178118e+00 3.48 -1.055060481e+00 3.50 -1.025731376e+00 3.52 -9.971765722e-01 3.54 -9.693816304e-01 3.56 -9.423318837e-01 3.58 -9.160125050e-01 3.60 -8.904085346e-01 3.62 -8.655048999e-01 3.64 -8.412864416e-01 3.66 -8.177379455e-01 3.68 -7.948441668e-01 3.70 -7.725898556e-01 3.72 -7.509597823e-01 3.74 -7.299387464e-01 3.76 -7.095115862e-01 3.78 -6.896631987e-01 3.80 -6.703786328e-01 3.82 -6.516430639e-01 3.84 -6.334415993e-01 3.86 -6.157597106e-01 3.88 -5.985829743e-01 3.90 -5.818968467e-01 3.92 -5.656875939e-01 3.94 -5.499407168e-01 3.96 -5.346431384e-01 3.98 -5.197805088e-01 4.00 -5.053403290e-01 4.02 -4.913087625e-01 4.04 -4.776730351e-01 4.06 -4.644214594e-01 4.08 -4.515397168e-01 4.10 -4.390172566e-01 4.12 -4.268424983e-01 4.14 -4.150010667e-01 4.16 -4.034837271e-01 4.18 -3.922818084e-01 4.20 -3.813785784e-01 4.22 -3.707645391e-01 4.24 -3.604335433e-01 4.26 -3.503790939e-01 4.28 -3.405772963e-01 4.30 -3.310203785e-01 4.32 -3.217072987e-01 4.34 -3.126371471e-01 4.36 -3.038072384e-01 4.38 -2.950762338e-01 4.40 -2.864432097e-01 4.42 -2.780095199e-01 4.44 -2.698504556e-01 4.46 -2.620200778e-01 4.48 -2.545552597e-01 4.50 -2.474790577e-01 4.52 -2.409123730e-01 4.54 -2.347711492e-01 4.56 -2.288169385e-01 4.58 -2.228725571e-01 4.60 -2.168104039e-01 4.62 -2.105427514e-01 4.64 -2.040136968e-01 4.66 -1.971925116e-01 4.68 -1.900681657e-01 4.70 -1.826448366e-01 4.72 -1.749382425e-01 4.74 -1.669448315e-01 4.76 -1.587060457e-01 4.78 -1.503516336e-01 4.80 -1.419880521e-01 4.82 -1.337004824e-01 4.84 -1.255563779e-01 4.86 -1.176084610e-01 4.88 -1.098972477e-01 4.90 -1.024531723e-01 4.92 -9.529837146e-02 4.94 -8.844817768e-02 4.96 -8.191236763e-02 4.98 -7.569620126e-02 5.00 -6.980128435e-02 5.02 -6.422628170e-02 5.04 -5.896750430e-02 5.06 -5.401939076e-02 5.08 -4.937490014e-02 5.10 -4.502583097e-02 5.12 -4.096307942e-02 5.14 -3.717684742e-02 5.16 -3.365681025e-02 5.18 -3.039225168e-02 5.20 -2.737217356e-02 5.22 -2.458538579e-02 5.24 -2.202058147e-02 5.26 -1.966640126e-02 5.28 -1.751149024e-02 5.30 -1.554454969e-02 5.32 -1.375438557e-02 5.34 -1.212995483e-02 5.36 -1.066041025e-02 5.38 -9.335143784e-03 5.40 -8.143828310e-03 5.42 -7.076457150e-03 5.44 -6.123380651e-03 5.46 -5.275339027e-03 5.48 -4.523490688e-03 5.50 -3.859435325e-03 5.52 -3.275231260e-03 5.54 -2.763406705e-03 5.56 -2.316964876e-03 5.58 -1.929383076e-03 5.60 -1.594606143e-03 5.62 -1.307034805e-03 5.64 -1.061509662e-03 5.66 -8.532916012e-04 5.68 -6.780395254e-04 5.70 -5.317862737e-04 5.72 -4.109136086e-04 5.74 -3.121270733e-04 5.76 -2.324314538e-04 5.78 -1.691074871e-04 5.80 -1.196903561e-04 5.82 -8.195040931e-05 5.84 -5.387644657e-05 5.86 -3.366182095e-05 5.88 -1.969352459e-05 5.90 -1.054435698e-05 5.92 -4.968214930e-06 5.94 -1.898496226e-06 5.96 -4.495722694e-07 5.98 7.874202852e-08 6.00 1.938115253e-07 6.02 2.000000000e-07 6.04 2.000000000e-07 6.06 2.000000000e-07 6.08 2.000000000e-07 6.10 2.000000000e-07 6.12 2.000000000e-07 6.14 2.000000000e-07 6.16 2.000000000e-07 6.18 2.000000000e-07 6.20 2.000000000e-07 6.22 2.000000000e-07 6.24 2.000000000e-07 6.26 2.000000000e-07 6.28 2.000000000e-07 6.30 2.000000000e-07 6.32 2.000000000e-07 6.34 2.000000000e-07 6.36 2.000000000e-07 6.38 2.000000000e-07 6.40 2.000000000e-07 6.42 2.000000000e-07 6.44 2.000000000e-07 6.46 2.000000000e-07 6.48 2.000000000e-07 6.50 2.000000000e-07 6.52 2.000000000e-07 6.54 2.000000000e-07 6.56 2.000000000e-07 6.58 2.000000000e-07 6.60 2.000000000e-07 6.62 2.000000000e-07 6.64 2.000000000e-07 6.66 2.000000000e-07 6.68 2.000000000e-07 6.70 2.000000000e-07 6.72 2.000000000e-07 6.74 2.000000000e-07 6.76 2.000000000e-07 6.78 2.000000000e-07 6.80 2.000000000e-07 6.82 2.000000000e-07 6.84 2.000000000e-07 6.86 2.000000000e-07 6.88 2.000000000e-07 6.90 2.000000000e-07 6.92 2.000000000e-07 6.94 2.000000000e-07 6.96 2.000000000e-07 6.98 2.000000000e-07 7.00 2.000000000e-07 7.02 2.000000000e-07 7.04 2.000000000e-07 7.06 2.000000000e-07 7.08 2.000000000e-07 7.10 2.000000000e-07 7.12 2.000000000e-07 7.14 2.000000000e-07 7.16 2.000000000e-07 7.18 2.000000000e-07 7.20 2.000000000e-07 7.22 2.000000000e-07 7.24 2.000000000e-07 7.26 2.000000000e-07 7.28 2.000000000e-07 7.30 2.000000000e-07 7.32 2.000000000e-07 7.34 2.000000000e-07 7.36 2.000000000e-07 7.38 2.000000000e-07 7.40 2.000000000e-07 7.42 2.000000000e-07 7.44 2.000000000e-07 7.46 2.000000000e-07 7.48 2.000000000e-07 7.50 2.000000000e-07 7.52 2.000000000e-07 7.54 2.000000000e-07 7.56 2.000000000e-07 7.58 2.000000000e-07 7.60 2.000000000e-07 7.62 2.000000000e-07 7.64 2.000000000e-07 7.66 2.000000000e-07 7.68 2.000000000e-07 7.70 2.000000000e-07 7.72 2.000000000e-07 7.74 2.000000000e-07 7.76 2.000000000e-07 7.78 2.000000000e-07 7.80 2.000000000e-07 7.82 2.000000000e-07 7.84 2.000000000e-07 7.86 2.000000000e-07 7.88 2.000000000e-07 7.90 2.000000000e-07 7.92 2.000000000e-07 7.94 2.000000000e-07 7.96 2.000000000e-07 7.98 2.000000000e-07 8.00 2.000000000e-07 8.02 2.000000000e-07 8.04 2.000000000e-07 8.06 2.000000000e-07 8.08 2.000000000e-07 8.10 2.000000000e-07 8.12 2.000000000e-07 8.14 2.000000000e-07 8.16 2.000000000e-07 8.18 2.000000000e-07 8.20 2.000000000e-07 8.22 2.000000000e-07 8.24 2.000000000e-07 8.26 2.000000000e-07 8.28 2.000000000e-07 8.30 2.000000000e-07 8.32 2.000000000e-07 8.34 2.000000000e-07 8.36 2.000000000e-07 8.38 2.000000000e-07 8.40 2.000000000e-07 8.42 2.000000000e-07 8.44 2.000000000e-07 8.46 2.000000000e-07 8.48 2.000000000e-07 8.50 2.000000000e-07 8.52 2.000000000e-07 8.54 2.000000000e-07 8.56 2.000000000e-07 8.58 2.000000000e-07 8.60 2.000000000e-07 8.62 2.000000000e-07 8.64 2.000000000e-07 8.66 2.000000000e-07 8.68 2.000000000e-07 8.70 2.000000000e-07 8.72 2.000000000e-07 8.74 2.000000000e-07 8.76 2.000000000e-07 8.78 2.000000000e-07 8.80 2.000000000e-07 8.82 2.000000000e-07 8.84 2.000000000e-07 8.86 2.000000000e-07 8.88 2.000000000e-07 8.90 2.000000000e-07 8.92 2.000000000e-07 8.94 2.000000000e-07 8.96 2.000000000e-07 8.98 2.000000000e-07 9.00 2.000000000e-07 9.02 2.000000000e-07 9.04 2.000000000e-07 9.06 2.000000000e-07 9.08 2.000000000e-07 9.10 2.000000000e-07 9.12 2.000000000e-07 9.14 2.000000000e-07 9.16 2.000000000e-07 9.18 2.000000000e-07 9.20 2.000000000e-07 9.22 2.000000000e-07 9.24 2.000000000e-07 9.26 2.000000000e-07 9.28 2.000000000e-07 9.30 2.000000000e-07 9.32 2.000000000e-07 9.34 2.000000000e-07 9.36 2.000000000e-07 9.38 2.000000000e-07 9.40 2.000000000e-07 9.42 2.000000000e-07 9.44 2.000000000e-07 9.46 2.000000000e-07 9.48 2.000000000e-07 9.50 2.000000000e-07 9.52 2.000000000e-07 9.54 2.000000000e-07 9.56 2.000000000e-07 9.58 2.000000000e-07 9.60 2.000000000e-07 9.62 2.000000000e-07 9.64 2.000000000e-07 9.66 2.000000000e-07 9.68 2.000000000e-07 9.70 2.000000000e-07 9.72 2.000000000e-07 9.74 2.000000000e-07 9.76 2.000000000e-07 9.78 2.000000000e-07 9.80 2.000000000e-07 9.82 2.000000000e-07 9.84 2.000000000e-07 9.86 2.000000000e-07 9.88 2.000000000e-07 9.90 2.000000000e-07 9.92 2.000000000e-07 9.94 2.000000000e-07 9.96 2.000000000e-07 9.98 2.000000000e-07 10.00 2.000000000e-07