# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2015--Elliott-R-S-Akerson-A--Ra # implementation = LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 # 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 Ra Ra 0.02 2.321134493e+28 0.04 5.666832258e+24 0.06 4.367624050e+22 0.08 1.383503969e+21 0.10 9.507366880e+19 0.12 1.066314465e+19 0.14 1.676964327e+18 0.16 3.377695222e+17 0.18 8.218455125e+16 0.20 2.321134453e+16 0.22 7.395849590e+15 0.24 2.603306667e+15 0.26 9.962768564e+14 0.28 4.094150669e+14 0.30 1.788978461e+14 0.32 8.246323888e+13 0.34 3.983942566e+13 0.36 2.006457618e+13 0.38 1.048713221e+13 0.40 5.666826032e+12 0.42 3.155499598e+12 0.44 1.805623882e+12 0.46 1.059168776e+12 0.48 6.355708643e+11 0.50 3.894201154e+11 0.52 2.432303847e+11 0.54 1.546437054e+11 0.56 9.995403638e+10 0.58 6.560242539e+10 0.60 4.367569393e+10 0.62 2.946818331e+10 0.64 2.013226139e+10 0.66 1.391628770e+10 0.68 9.726168380e+09 0.70 6.868629144e+09 0.72 4.898397981e+09 0.74 3.525822850e+09 0.76 2.560204745e+09 0.78 1.874557589e+09 0.80 1.383406690e+09 0.82 1.028628635e+09 0.84 7.703141873e+08 0.86 5.808068216e+08 0.88 4.407720897e+08 0.90 3.365799403e+08 0.92 2.585447278e+08 0.94 1.997310757e+08 0.96 1.551365986e+08 0.98 1.211278873e+08 1.00 9.504816777e+07 1.02 7.494229484e+07 1.04 5.936257919e+07 1.06 4.723072345e+07 1.08 3.773899199e+07 1.10 3.027900616e+07 1.12 2.439012316e+07 1.14 1.972178743e+07 1.16 1.600591397e+07 1.18 1.303651730e+07 1.20 1.065460440e+07 1.22 8.736913141e+06 1.24 7.187475296e+06 1.26 5.931265073e+06 1.28 4.909395209e+06 1.30 4.075467131e+06 1.32 3.392785752e+06 1.34 2.832225047e+06 1.36 2.370585618e+06 1.38 1.989325794e+06 1.40 1.673577529e+06 1.42 1.411380296e+06 1.44 1.193082522e+06 1.46 1.010872267e+06 1.48 8.584079683e+05 1.50 7.305269467e+05 1.52 6.230145533e+05 1.54 5.324207555e+05 1.56 4.559139719e+05 1.58 3.911642375e+05 1.60 3.362495440e+05 1.62 2.895805428e+05 1.64 2.498398436e+05 1.66 2.159329473e+05 1.68 1.869484777e+05 1.70 1.621258686e+05 1.72 1.408290415e+05 1.74 1.225249111e+05 1.76 1.067657913e+05 1.78 9.317496073e+04 1.80 8.143479215e+04 1.82 7.127697013e+04 1.84 6.247441085e+04 1.86 5.483457434e+04 1.88 4.819391740e+04 1.90 4.241328337e+04 1.92 3.737406283e+04 1.94 3.297499019e+04 1.96 2.912946557e+04 1.98 2.576331185e+04 2.00 2.281289259e+04 2.02 2.022353004e+04 2.04 1.794817298e+04 2.06 1.594627303e+04 2.08 1.418283524e+04 2.10 1.262761453e+04 2.12 1.125443463e+04 2.14 1.004060968e+04 2.16 8.966452481e+03 2.18 8.014855700e+03 2.20 7.170934582e+03 2.22 6.421721835e+03 2.24 5.755906584e+03 2.26 5.163610764e+03 2.28 4.636197302e+03 2.30 4.166105337e+03 2.32 3.746708496e+03 2.34 3.372192815e+03 2.36 3.037451467e+03 2.38 2.737993858e+03 2.40 2.469867027e+03 2.42 2.229587616e+03 2.44 2.014082900e+03 2.46 1.820639624e+03 2.48 1.646859554e+03 2.50 1.490620819e+03 2.52 1.350044248e+03 2.54 1.223464033e+03 2.56 1.109402124e+03 2.58 1.006545860e+03 2.60 9.137284160e+02 2.62 8.299116753e+02 2.64 7.541712287e+02 2.66 6.856832129e+02 2.68 6.237127548e+02 2.70 5.676038146e+02 2.72 5.167702511e+02 2.74 4.706879535e+02 2.76 4.288879067e+02 2.78 3.909500727e+02 2.80 3.564979891e+02 2.82 3.251939943e+02 2.84 2.967350043e+02 2.86 2.708487737e+02 2.88 2.472905826e+02 2.90 2.258402985e+02 2.92 2.062997689e+02 2.94 1.884905043e+02 2.96 1.722516195e+02 2.98 1.574380013e+02 3.00 1.439186772e+02 3.02 1.315753617e+02 3.04 1.203011606e+02 3.06 1.099994133e+02 3.08 1.005826608e+02 3.10 9.197172140e+01 3.12 8.409486581e+01 3.14 7.688707759e+01 3.16 7.028939148e+01 3.18 6.424830017e+01 3.20 5.871522232e+01 3.22 5.364602510e+01 3.24 4.900059551e+01 3.26 4.474245506e+01 3.28 4.083841339e+01 3.30 3.725825653e+01 3.32 3.397446636e+01 3.34 3.096196772e+01 3.36 2.819790063e+01 3.38 2.566141468e+01 3.40 2.333348361e+01 3.42 2.119673776e+01 3.44 1.923531281e+01 3.46 1.743471287e+01 3.48 1.578168685e+01 3.50 1.426411633e+01 3.52 1.287091427e+01 3.54 1.159193302e+01 3.56 1.041788109e+01 3.58 9.340247589e+00 3.60 8.351233655e+00 3.62 7.443690236e+00 3.64 6.611061549e+00 3.66 5.847333698e+00 3.68 5.146987966e+00 3.70 4.504958310e+00 3.72 3.916592689e+00 3.74 3.377617846e+00 3.76 2.884107225e+00 3.78 2.432451735e+00 3.80 2.019333088e+00 3.82 1.641699484e+00 3.84 1.296743416e+00 3.86 9.818814088e-01 3.88 6.947355118e-01 3.90 4.331163903e-01 3.92 1.950078658e-01 3.94 -2.144722061e-02 3.96 -2.179599416e-01 3.98 -3.961071208e-01 4.00 -5.573421709e-01 4.02 -7.030050208e-01 4.04 -8.343312115e-01 4.06 -9.524602343e-01 4.08 -1.058443176e+00 4.10 -1.153249733e+00 4.12 -1.237774645e+00 4.14 -1.312843605e+00 4.16 -1.379218683e+00 4.18 -1.437603309e+00 4.20 -1.488646853e+00 4.22 -1.532948831e+00 4.24 -1.571062780e+00 4.26 -1.603499812e+00 4.28 -1.630731895e+00 4.30 -1.653194861e+00 4.32 -1.671291188e+00 4.34 -1.685392548e+00 4.36 -1.695842167e+00 4.38 -1.702956994e+00 4.40 -1.707029694e+00 4.42 -1.708330499e+00 4.44 -1.707108903e+00 4.46 -1.703595233e+00 4.48 -1.698002093e+00 4.50 -1.690525700e+00 4.52 -1.681347120e+00 4.54 -1.670633400e+00 4.56 -1.658538624e+00 4.58 -1.645204883e+00 4.60 -1.630763170e+00 4.62 -1.615334212e+00 4.64 -1.599029237e+00 4.66 -1.581950680e+00 4.68 -1.564192840e+00 4.70 -1.545842485e+00 4.72 -1.526979416e+00 4.74 -1.507676983e+00 4.76 -1.488002566e+00 4.78 -1.468018019e+00 4.80 -1.447780085e+00 4.82 -1.427340771e+00 4.84 -1.406747707e+00 4.86 -1.386044470e+00 4.88 -1.365270885e+00 4.90 -1.344463309e+00 4.92 -1.323654889e+00 4.94 -1.302875805e+00 4.96 -1.282153487e+00 4.98 -1.261512831e+00 5.00 -1.240976382e+00 5.02 -1.220564520e+00 5.04 -1.200295617e+00 5.06 -1.180186194e+00 5.08 -1.160251064e+00 5.10 -1.140503459e+00 5.12 -1.120955155e+00 5.14 -1.101616584e+00 5.16 -1.082496939e+00 5.18 -1.063604272e+00 5.20 -1.044945580e+00 5.22 -1.026526894e+00 5.24 -1.008353354e+00 5.26 -9.904292781e-01 5.28 -9.727582348e-01 5.30 -9.553430999e-01 5.32 -9.381861157e-01 5.34 -9.212889439e-01 5.36 -9.046527145e-01 5.38 -8.882780715e-01 5.40 -8.721652149e-01 5.42 -8.563139403e-01 5.44 -8.407236745e-01 5.46 -8.253935095e-01 5.48 -8.103222332e-01 5.50 -7.955083586e-01 5.52 -7.809501500e-01 5.54 -7.666456477e-01 5.56 -7.525926909e-01 5.58 -7.387889386e-01 5.60 -7.252318892e-01 5.62 -7.119188982e-01 5.64 -6.988471950e-01 5.66 -6.860138983e-01 5.68 -6.734160299e-01 5.70 -6.610505279e-01 5.72 -6.489142587e-01 5.74 -6.370040280e-01 5.76 -6.253165911e-01 5.78 -6.138486619e-01 5.80 -6.025969216e-01 5.82 -5.915580270e-01 5.84 -5.807286169e-01 5.86 -5.701053196e-01 5.88 -5.596847580e-01 5.90 -5.494635559e-01 5.92 -5.394383427e-01 5.94 -5.296057578e-01 5.96 -5.199624551e-01 5.98 -5.105051065e-01 6.00 -5.012304055e-01 6.02 -4.921350703e-01 6.04 -4.832158461e-01 6.06 -4.744695082e-01 6.08 -4.658928641e-01 6.10 -4.574827550e-01 6.12 -4.492360581e-01 6.14 -4.411496881e-01 6.16 -4.332205979e-01 6.18 -4.254457808e-01 6.20 -4.178222707e-01 6.22 -4.103471432e-01 6.24 -4.030175164e-01 6.26 -3.958305515e-01 6.28 -3.887834533e-01 6.30 -3.818734702e-01 6.32 -3.750978951e-01 6.34 -3.684540650e-01 6.36 -3.619393614e-01 6.38 -3.555512103e-01 6.40 -3.492870820e-01 6.42 -3.431444910e-01 6.44 -3.371209963e-01 6.46 -3.312142004e-01 6.48 -3.254217495e-01 6.50 -3.197413331e-01 6.52 -3.141706839e-01 6.54 -3.087075768e-01 6.56 -3.033498290e-01 6.58 -2.980952995e-01 6.60 -2.929418884e-01 6.62 -2.878875365e-01 6.64 -2.829302249e-01 6.66 -2.780679745e-01 6.68 -2.732988451e-01 6.70 -2.686209354e-01 6.72 -2.640323819e-01 6.74 -2.595313586e-01 6.76 -2.551160766e-01 6.78 -2.507847830e-01 6.80 -2.465357608e-01 6.82 -2.423673281e-01 6.84 -2.382778374e-01 6.86 -2.342656752e-01 6.88 -2.303292615e-01 6.90 -2.264670487e-01 6.92 -2.226775217e-01 6.94 -2.189591968e-01 6.96 -2.153106212e-01 6.98 -2.117303726e-01 7.00 -2.082170585e-01 7.02 -2.047693156e-01 7.04 -2.013858095e-01 7.06 -1.980652336e-01 7.08 -1.948063092e-01 7.10 -1.916077843e-01 7.12 -1.884684336e-01 7.14 -1.853870577e-01 7.16 -1.823624827e-01 7.18 -1.793935595e-01 7.20 -1.764791634e-01 7.22 -1.736181937e-01 7.24 -1.708095730e-01 7.26 -1.680522469e-01 7.28 -1.653451834e-01 7.30 -1.626873724e-01 7.32 -1.600778254e-01 7.34 -1.575155750e-01 7.36 -1.549996741e-01 7.38 -1.525291963e-01 7.40 -1.501032343e-01 7.42 -1.477209006e-01 7.44 -1.453813264e-01 7.46 -1.430836613e-01 7.48 -1.408270733e-01 7.50 -1.386107478e-01 7.52 -1.364338875e-01 7.54 -1.342957123e-01 7.56 -1.321954585e-01 7.58 -1.301323786e-01 7.60 -1.281057411e-01 7.62 -1.261148297e-01 7.64 -1.241589436e-01 7.66 -1.222373967e-01 7.68 -1.203495174e-01 7.70 -1.184946483e-01 7.72 -1.166721460e-01 7.74 -1.148813805e-01 7.76 -1.131217351e-01 7.78 -1.113926063e-01 7.80 -1.096934030e-01 7.82 -1.080235467e-01 7.84 -1.063824711e-01 7.86 -1.047696217e-01 7.88 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