# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2009--Zhakhovskii-V-V-Inogamov-N-A-Petrov-Y-V-et-al--Au # implementation = 2009--Zhakhovskii-V-V--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 1.455849308e+06 0.04 3.636400286e+05 0.06 1.613792854e+05 0.08 9.058833015e+04 0.10 5.782256570e+04 0.12 4.002423333e+04 0.14 2.929276858e+04 0.16 2.232801353e+04 0.18 1.755338607e+04 0.20 1.413851417e+04 0.22 1.161229008e+04 0.24 9.691287090e+03 0.26 8.196694374e+03 0.28 7.011181029e+03 0.30 6.055169793e+03 0.32 5.273144695e+03 0.34 4.625420556e+03 0.36 4.083019170e+03 0.38 3.624380829e+03 0.40 3.233196587e+03 0.42 2.896945066e+03 0.44 2.605883769e+03 0.46 2.352340427e+03 0.48 2.130206549e+03 0.50 1.934569837e+03 0.52 1.761443597e+03 0.54 1.607564951e+03 0.56 1.470242568e+03 0.58 1.347240503e+03 0.60 1.236688662e+03 0.62 1.137013163e+03 0.64 1.046881677e+03 0.66 9.651601901e+02 0.68 8.908785285e+02 0.70 8.232026827e+02 0.72 7.614124349e+02 0.74 7.048831618e+02 0.76 6.530709454e+02 0.78 6.055003212e+02 0.80 5.617541450e+02 0.82 5.214651674e+02 0.84 4.843089972e+02 0.86 4.499981966e+02 0.88 4.182773063e+02 0.90 3.889186352e+02 0.92 3.617186850e+02 0.94 3.364951017e+02 0.96 3.130840671e+02 0.98 2.913380604e+02 1.00 2.711239292e+02 1.02 2.523212235e+02 1.04 2.348207524e+02 1.06 2.185233292e+02 1.08 2.033386785e+02 1.10 1.891844809e+02 1.12 1.759855362e+02 1.14 1.636730291e+02 1.16 1.521838822e+02 1.18 1.414601860e+02 1.20 1.314486940e+02 1.22 1.221003762e+02 1.24 1.133700217e+02 1.26 1.052158865e+02 1.28 9.759937774e+01 1.30 9.048477317e+01 1.32 8.383896926e+01 1.34 7.763125569e+01 1.36 7.183311263e+01 1.38 6.641802850e+01 1.40 6.136133555e+01 1.42 5.664006152e+01 1.44 5.223279543e+01 1.46 4.811956595e+01 1.48 4.428173109e+01 1.50 4.070187792e+01 1.52 3.736373119e+01 1.54 3.425207012e+01 1.56 3.135265226e+01 1.58 2.865214397e+01 1.60 2.613805654e+01 1.62 2.379868772e+01 1.64 2.162306787e+01 1.66 1.960091040e+01 1.68 1.772256606e+01 1.70 1.597898077e+01 1.72 1.436165651e+01 1.74 1.286261522e+01 1.76 1.147436523e+01 1.78 1.018987012e+01 1.80 9.002519757e+00 1.82 7.906103334e+00 1.84 6.894784271e+00 1.86 5.963076785e+00 1.88 5.105824043e+00 1.90 4.318177759e+00 1.92 3.595579137e+00 1.94 2.933741067e+00 1.96 2.328631482e+00 1.98 1.776457813e+00 2.00 1.273652453e+00 2.02 8.168591858e-01 2.04 4.029205027e-01 2.06 2.886576338e-02 2.08 -3.080998568e-01 2.10 -6.106056800e-01 2.12 -8.811251474e-01 2.14 -1.121984792e+00 2.16 -1.335372609e+00 2.18 -1.523345860e+00 2.20 -1.687838352e+00 2.22 -1.830667238e+00 2.24 -1.953539359e+00 2.26 -2.058057182e+00 2.28 -2.145724347e+00 2.30 -2.217950880e+00 2.32 -2.276058074e+00 2.34 -2.321283089e+00 2.36 -2.354783288e+00 2.38 -2.377640336e+00 2.40 -2.390864071e+00 2.42 -2.395396197e+00 2.44 -2.392113784e+00 2.46 -2.381832612e+00 2.48 -2.365310365e+00 2.50 -2.343249694e+00 2.52 -2.316301145e+00 2.54 -2.285065984e+00 2.56 -2.250098898e+00 2.58 -2.211910609e+00 2.60 -2.170970374e+00 2.62 -2.127708406e+00 2.64 -2.082518195e+00 2.66 -2.035758742e+00 2.68 -1.987756709e+00 2.70 -1.938808484e+00 2.72 -1.889182159e+00 2.74 -1.839119430e+00 2.76 -1.788837406e+00 2.78 -1.738530350e+00 2.80 -1.688371330e+00 2.82 -1.638513792e+00 2.84 -1.589093054e+00 2.86 -1.540227730e+00 2.88 -1.492021066e+00 2.90 -1.444562215e+00 2.92 -1.397927423e+00 2.94 -1.352181163e+00 2.96 -1.307377182e+00 2.98 -1.263559494e+00 3.00 -1.220763304e+00 3.02 -1.179015866e+00 3.04 -1.138337284e+00 3.06 -1.098741261e+00 3.08 -1.060235785e+00 3.10 -1.022823763e+00 3.12 -9.865036143e-01 3.14 -9.512698046e-01 3.16 -9.171133453e-01 3.18 -8.840222456e-01 3.20 -8.519819265e-01 3.22 -8.209755979e-01 3.24 -7.909846006e-01 3.26 -7.619887163e-01 3.28 -7.339664468e-01 3.30 -7.068952659e-01 3.32 -6.807518449e-01 3.34 -6.555122535e-01 3.36 -6.311521398e-01 3.38 -6.076468884e-01 3.40 -5.849717609e-01 3.42 -5.631020185e-01 3.44 -5.420130292e-01 3.46 -5.216803606e-01 3.48 -5.020798598e-01 3.50 -4.831877212e-01 3.52 -4.649805443e-01 3.54 -4.474353811e-01 3.56 -4.305297755e-01 3.58 -4.142417948e-01 3.60 -3.985500545e-01 3.62 -3.834337362e-01 3.64 -3.688726016e-01 3.66 -3.548470004e-01 3.68 -3.413378745e-01 3.70 -3.283267591e-01 3.72 -3.157957799e-01 3.74 -3.037276480e-01 3.76 -2.921056525e-01 3.78 -2.809136513e-01 3.80 -2.701360600e-01 3.82 -2.597578400e-01 3.84 -2.497644849e-01 3.86 -2.401420066e-01 3.88 -2.308769206e-01 3.90 -2.219562309e-01 3.92 -2.133674147e-01 3.94 -2.050984069e-01 3.96 -1.971375842e-01 3.98 -1.894737503e-01 4.00 -1.820961198e-01 4.02 -1.749943038e-01 4.04 -1.681582950e-01 4.06 -1.615784527e-01 4.08 -1.552454895e-01 4.10 -1.491504573e-01 4.12 -1.432847340e-01 4.14 -1.376400110e-01 4.16 -1.322082806e-01 4.18 -1.269818243e-01 4.20 -1.219532016e-01 4.22 -1.171152388e-01 4.24 -1.124610186e-01 4.26 -1.079838701e-01 4.28 -1.036773596e-01 4.30 -9.953528079e-02 4.32 -9.555164644e-02 4.34 -9.172068004e-02 4.36 -8.803680776e-02 4.38 -8.449465089e-02 4.40 -8.108901861e-02 4.42 -7.781490107e-02 4.44 -7.466746283e-02 4.46 -7.164203655e-02 4.48 -6.873411703e-02 4.50 -6.593935547e-02 4.52 -6.325355399e-02 4.54 -6.067266042e-02 4.56 -5.819276330e-02 4.58 -5.581008709e-02 4.60 -5.352098762e-02 4.62 -5.132194816e-02 4.64 -4.920957452e-02 4.66 -4.718059062e-02 4.68 -4.523183527e-02 4.70 -4.336025839e-02 4.72 -4.156291747e-02 4.74 -3.983697406e-02 4.76 -3.817969047e-02 4.78 -3.658842647e-02 4.80 -3.506063627e-02 4.82 -3.359386545e-02 4.84 -3.218574804e-02 4.86 -3.083400378e-02 4.88 -2.953643529e-02 4.90 -2.829092552e-02 4.92 -2.709543513e-02 4.94 -2.594799999e-02 4.96 -2.484666343e-02 4.98 -2.378952863e-02 5.00 -2.277487581e-02 5.02 -2.180104691e-02 5.04 -2.086644310e-02 5.06 -1.996952326e-02 5.08 -1.910880250e-02 5.10 -1.828285066e-02 5.12 -1.749029076e-02 5.14 -1.672979753e-02 5.16 -1.600009584e-02 5.18 -1.529995921e-02 5.20 -1.462820836e-02 5.22 -1.398370963e-02 5.24 -1.336537363e-02 5.26 -1.277215368e-02 5.28 -1.220304448e-02 5.30 -1.165708066e-02 5.32 -1.113333540e-02 5.34 -1.063091911e-02 5.36 -1.014897810e-02 5.38 -9.686693260e-03 5.40 -9.243278826e-03 5.42 -8.817981133e-03 5.44 -8.410077409e-03 5.46 -8.018874607e-03 5.48 -7.643708254e-03 5.50 -7.283941345e-03 5.52 -6.938963259e-03 5.54 -6.608188711e-03 5.56 -6.291056731e-03 5.58 -5.987029679e-03 5.60 -5.695592287e-03 5.62 -5.416250735e-03 5.64 -5.148531751e-03 5.66 -4.891981754e-03 5.68 -4.646166009e-03 5.70 -4.410667828e-03 5.72 -4.185087791e-03 5.74 -3.969042998e-03 5.76 -3.762166346e-03 5.78 -3.564105842e-03 5.80 -3.374523933e-03 5.82 -3.193096866e-03 5.84 -3.019514080e-03 5.86 -2.853477614e-03 5.88 -2.694701546e-03 5.90 -2.542911451e-03 5.92 -2.397843891e-03 5.94 -2.259245915e-03 5.96 -2.126874596e-03 5.98 -2.000496573e-03 6.00 -1.879887632e-03 6.02 -1.764832290e-03 6.04 -1.655123407e-03 6.06 -1.550561820e-03 6.08 -1.450955984e-03 6.10 -1.356121642e-03 6.12 -1.265881501e-03 6.14 -1.180064933e-03 6.16 -1.098507687e-03 6.18 -1.021051611e-03 6.20 -9.475443977e-04 6.22 -8.778393353e-04 6.24 -8.117950737e-04 6.26 -7.492754029e-04 6.28 -6.901490419e-04 6.30 -6.342894387e-04 6.32 -5.815745799e-04 6.34 -5.318868106e-04 6.36 -4.851126623e-04 6.38 -4.411426905e-04 6.40 -3.998713188e-04 6.42 -3.611966916e-04 6.44 -3.250205338e-04 6.46 -2.912480163e-04 6.48 -2.597876283e-04 6.50 -2.305510554e-04 6.52 -2.034530633e-04 6.54 -1.784113857e-04 6.56 -1.553466181e-04 6.58 -1.341821157e-04 6.60 -1.148438952e-04 6.62 -9.726054105e-05 6.64 -8.136311498e-05 6.66 -6.708506960e-05 6.68 -5.436216490e-05 6.70 -4.313238806e-05 6.72 -3.333587632e-05 6.74 -2.491484256e-05 6.76 -1.781350374e-05 6.78 -1.197801183e-05 6.80 -7.356387308e-06 6.82 -3.898454947e-06 6.84 -1.555781971e-06 6.86 -2.816183633e-07 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