# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2016--Nichol-A-Ackland-G-J--Rb # implementation = 2016--Nichol-A--Rb--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 2024-11-27 r Rb Rb 0.02 8.677992274e+05 0.04 3.607926437e+05 0.06 1.917002051e+05 0.08 1.256058647e+05 0.10 8.467272023e+04 0.12 6.257074716e+04 0.14 4.627079460e+04 0.16 3.619593549e+04 0.18 2.814766677e+04 0.20 2.277996099e+04 0.22 1.829937141e+04 0.24 1.515869482e+04 0.26 1.246368631e+04 0.28 1.050637843e+04 0.30 8.793619212e+03 0.32 7.515808671e+03 0.34 6.380581106e+03 0.36 5.515385046e+03 0.38 4.737159848e+03 0.40 4.133596063e+03 0.42 3.584997819e+03 0.44 3.153259895e+03 0.46 2.757291281e+03 0.48 2.441714464e+03 0.50 2.150133531e+03 0.52 1.915069783e+03 0.54 1.696665205e+03 0.56 1.518652222e+03 0.58 1.352648080e+03 0.60 1.215858689e+03 0.62 1.088085323e+03 0.64 9.816062107e+02 0.66 8.821885872e+02 0.68 7.983444170e+02 0.70 7.202641112e+02 0.72 6.535611343e+02 0.74 5.917276108e+02 0.76 5.381838861e+02 0.78 4.888491422e+02 0.80 4.455329889e+02 0.82 4.059023924e+02 0.84 3.706221465e+02 0.86 3.385881198e+02 0.88 3.096828606e+02 0.90 2.836393549e+02 0.92 2.598364595e+02 0.94 2.385464935e+02 0.96 2.188578920e+02 0.98 2.013628642e+02 1.00 1.850133196e+02 1.02 1.704969122e+02 1.04 1.566934945e+02 1.06 1.444453650e+02 1.08 1.327465511e+02 1.10 1.224065494e+02 1.12 1.125029543e+02 1.14 1.037694843e+02 1.16 9.539315695e+01 1.18 8.801355622e+01 1.20 8.093333795e+01 1.22 7.469547323e+01 1.24 6.871301958e+01 1.26 6.343852581e+01 1.28 5.838435111e+01 1.30 5.392308506e+01 1.32 4.965276698e+01 1.34 4.587832507e+01 1.36 4.226909322e+01 1.38 3.907504615e+01 1.40 3.602321598e+01 1.42 3.331947826e+01 1.44 3.073758951e+01 1.46 2.844795013e+01 1.48 2.626227353e+01 1.50 2.432231786e+01 1.52 2.247073061e+01 1.54 2.082599394e+01 1.56 1.925623511e+01 1.58 1.786056773e+01 1.60 1.652881224e+01 1.62 1.534325959e+01 1.64 1.421263465e+01 1.66 1.320435561e+01 1.68 1.224381252e+01 1.70 1.138514102e+01 1.72 1.056852077e+01 1.74 9.836162948e+00 1.76 9.141421606e+00 1.78 8.515764419e+00 1.80 7.924264240e+00 1.82 7.388848388e+00 1.84 6.884788260e+00 1.86 6.425836558e+00 1.88 5.995835727e+00 1.90 5.601792832e+00 1.92 5.234530790e+00 1.94 4.895685815e+00 1.96 4.581591673e+00 1.98 4.289778069e+00 2.00 4.020754452e+00 2.02 3.769093120e+00 2.04 3.538290375e+00 2.06 3.320965085e+00 2.08 3.122601448e+00 2.10 2.934687191e+00 2.12 2.763881524e+00 2.14 2.601202005e+00 2.16 2.453832202e+00 2.18 2.312841216e+00 2.20 2.185433969e+00 2.22 2.063107085e+00 2.24 1.952745497e+00 2.26 1.846488887e+00 2.28 1.750717291e+00 2.30 1.658308709e+00 2.32 1.575055839e+00 2.34 1.494591877e+00 2.36 1.422107555e+00 2.38 1.351957999e+00 2.40 1.288760908e+00 2.42 1.227525974e+00 2.44 1.172363897e+00 2.46 1.118846500e+00 2.48 1.070654454e+00 2.50 1.023833387e+00 2.52 9.817017600e-01 2.54 9.407052506e-01 2.56 9.038567517e-01 2.58 8.679401834e-01 2.60 8.357102538e-01 2.62 8.042375237e-01 2.64 7.760541074e-01 2.66 7.484856222e-01 2.68 7.238564568e-01 2.70 6.997346768e-01 2.72 6.782375050e-01 2.74 6.478554808e-01 2.76 5.916097036e-01 2.78 5.353000665e-01 2.80 4.810520145e-01 2.82 4.275814158e-01 2.84 3.766796593e-01 2.86 3.272520394e-01 2.88 2.807456182e-01 2.90 2.362814174e-01 2.92 1.945965917e-01 2.94 1.547054742e-01 2.96 1.173958125e-01 2.98 8.228800530e-02 3.00 4.983165506e-02 3.02 1.985455180e-02 3.04 -7.850572838e-03 3.06 -3.352466888e-02 3.08 -5.753852377e-02 3.10 -7.981217992e-02 3.12 -1.008941956e-01 3.14 -1.204767863e-01 3.16 -1.392525810e-01 3.18 -1.567295353e-01 3.20 -1.737078164e-01 3.22 -1.895562131e-01 3.24 -2.051441789e-01 3.26 -2.197467409e-01 3.28 -2.342642991e-01 3.30 -2.479204830e-01 3.32 -2.616147563e-01 3.34 -2.745525189e-01 3.36 -2.876092199e-01 3.38 -2.999961486e-01 3.40 -3.125492919e-01 3.42 -3.245025145e-01 3.44 -3.366302836e-01 3.46 -3.481230825e-01 3.48 -3.596936966e-01 3.50 -3.706386147e-01 3.52 -3.816376969e-01 3.54 -3.920309581e-01 3.56 -4.024588407e-01 3.58 -4.123008213e-01 3.60 -4.221614984e-01 3.62 -4.314560487e-01 3.64 -4.407564632e-01 3.66 -4.495102250e-01 3.68 -4.582596470e-01 3.70 -4.664817480e-01 3.72 -4.746909500e-01 3.74 -4.823931435e-01 3.76 -4.900732891e-01 3.78 -4.972689278e-01 3.80 -5.044317710e-01 3.82 -5.111353070e-01 3.84 -5.177929976e-01 3.86 -5.240195926e-01 3.88 -5.301844912e-01 3.90 -5.359496966e-01 3.92 -5.416341688e-01 3.94 -5.469537269e-01 3.96 -5.521705211e-01 3.98 -5.570596737e-01 4.00 -5.618222198e-01 4.02 -5.662951760e-01 4.04 -5.706173443e-01 4.06 -5.746873594e-01 4.08 -5.785832645e-01 4.10 -5.822627352e-01 4.12 -5.857465869e-01 4.14 -5.890470127e-01 4.16 -5.921331485e-01 4.18 -5.950652343e-01 4.20 -5.977680510e-01 4.22 -6.003420131e-01 4.24 -6.026757284e-01 4.26 -6.049014015e-01 4.28 -6.068800419e-01 4.30 -6.087669855e-01 4.32 -6.104043955e-01 4.34 -6.119619994e-01 4.36 -6.132716462e-01 4.38 -6.145094545e-01 4.40 -6.155042066e-01 4.42 -6.164322777e-01 4.44 -6.171245921e-01 4.46 -6.177534538e-01 4.48 -6.181555193e-01 4.50 -6.184961701e-01 4.52 -6.186200395e-01 4.54 -6.186839594e-01 4.56 -6.185416686e-01 4.58 -6.183409468e-01 4.60 -6.179445107e-01 4.62 -6.174916745e-01 4.64 -6.168533717e-01 4.66 -6.161613158e-01 4.68 -6.152938621e-01 4.70 -6.143758965e-01 4.72 -6.132924855e-01 4.74 -6.121623760e-01 4.76 -6.108767182e-01 4.78 -6.095487121e-01 4.80 -6.080752188e-01 4.82 -6.065639087e-01 4.84 -6.049176723e-01 4.86 -6.032378229e-01 4.88 -6.014333454e-01 4.90 -5.995978142e-01 4.92 -5.976480851e-01 4.94 -5.956694211e-01 4.96 -5.935879097e-01 4.98 -5.914791445e-01 5.00 -5.892798505e-01 5.02 -5.870561780e-01 5.04 -5.847835896e-01 5.06 -5.825182062e-01 5.08 -5.802145002e-01 5.10 -5.779035861e-01 5.12 -5.755520241e-01 5.14 -5.731767541e-01 5.16 -5.707562275e-01 5.18 -5.682938294e-01 5.20 -5.657792531e-01 5.22 -5.632033990e-01 5.24 -5.605661308e-01 5.26 -5.578474260e-01 5.28 -5.550558320e-01 5.30 -5.521622708e-01 5.32 -5.491822857e-01 5.34 -5.460795831e-01 5.36 -5.428746999e-01 5.38 -5.395263136e-01 5.40 -5.360584192e-01 5.42 -5.324268716e-01 5.44 -5.286573825e-01 5.46 -5.247049468e-01 5.48 -5.205955889e-01 5.50 -5.162849875e-01 5.52 -5.117985026e-01 5.54 -5.070936391e-01 5.56 -5.021944807e-01 5.58 -4.970611716e-01 5.60 -4.917162060e-01 5.62 -4.861229089e-01 5.64 -4.803021192e-01 5.66 -4.742206394e-01 5.68 -4.678978111e-01 5.70 -4.613039940e-01 5.72 -4.544573325e-01 5.74 -4.473317725e-01 5.76 -4.399445403e-01 5.78 -4.322706704e-01 5.80 -4.242939367e-01 5.82 -4.160049468e-01 5.84 -4.074443370e-01 5.86 -3.986208022e-01 5.88 -3.895729447e-01 5.90 -3.803114061e-01 5.92 -3.708724641e-01 5.94 -3.612681887e-01 5.96 -3.515303467e-01 5.98 -3.416707731e-01 6.00 -3.317179722e-01 6.02 -3.216852531e-01 6.04 -3.115980916e-01 6.06 -3.014710056e-01 6.08 -2.913264270e-01 6.10 -2.811797164e-01 6.12 -2.710504015e-01 6.14 -2.609541978e-01 6.16 -2.509080360e-01 6.18 -2.409273957e-01 6.20 -2.310270448e-01 6.22 -2.212215938e-01 6.24 -2.115241430e-01 6.26 -2.019478249e-01 6.28 -1.925045654e-01 6.30 -1.832054961e-01 6.32 -1.740617988e-01 6.34 -1.650822272e-01 6.36 -1.562775314e-01 6.38 -1.476538995e-01 6.40 -1.392218180e-01 6.42 -1.309849255e-01 6.44 -1.229540188e-01 6.46 -1.151343760e-01 6.48 -1.075410920e-01 6.50 -1.001787985e-01 6.52 -9.306197727e-02 6.54 -8.619382511e-02 6.56 -7.958797842e-02 6.58 -7.324668894e-02 6.60 -6.718258614e-02 6.62 -6.139742318e-02 6.64 -5.590274776e-02 6.66 -5.070019924e-02 6.68 -4.580026108e-02 6.70 -4.120477529e-02 6.72 -3.692134797e-02 6.74 -3.294004612e-02 6.76 -2.925409138e-02 6.78 -2.585106198e-02 6.80 -2.272396649e-02 6.82 -1.986138608e-02 6.84 -1.725470038e-02 6.86 -1.488952441e-02 6.88 -1.275455074e-02 6.90 -1.083601035e-02 6.92 -9.122612253e-03 6.94 -7.601302311e-03 6.96 -6.260832416e-03 6.98 -5.088740966e-03 7.00 -4.073828639e-03 7.02 -3.204108145e-03 7.04 -2.468425398e-03 7.06 -1.855154916e-03 7.08 -1.353181111e-03 7.10 -9.511373660e-04 7.12 -6.379389814e-04 7.14 -4.023890804e-04 7.16 -2.334260987e-04 7.18 -1.199511888e-04 7.20 -5.091813207e-05 7.22 -1.527416267e-05 7.24 -1.980868482e-06 7.26 -8.800046893e-11 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