# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2015--Elliott-R-S-Akerson-A--In # 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 In In 0.02 5.453109804e+25 0.04 1.331325636e+22 0.06 1.026098815e+20 0.08 3.250306725e+18 0.10 2.233593767e+17 0.12 2.505124032e+16 0.14 3.939741708e+15 0.16 7.935318652e+14 0.18 1.930785698e+14 0.20 5.453108474e+13 0.22 1.737528085e+13 0.24 6.116021083e+12 0.26 2.340580075e+12 0.28 9.618492637e+11 0.30 4.202889068e+11 0.32 1.937325850e+11 0.34 9.359542677e+10 0.36 4.713793769e+10 0.38 2.463746651e+10 0.40 1.331304850e+10 0.42 7.413164191e+09 0.44 4.241896429e+09 0.46 2.488252943e+09 0.48 1.493100686e+09 0.50 9.148255218e+08 0.52 5.713882921e+08 0.54 3.632771026e+08 0.56 2.347993061e+08 0.58 1.541009244e+08 0.60 1.025916334e+08 0.62 6.921653883e+07 0.64 4.728579867e+07 0.66 3.268436984e+07 0.68 2.284196916e+07 0.70 1.612994584e+07 0.72 1.150226979e+07 0.74 8.278499733e+06 0.76 6.010657311e+06 0.78 4.400438946e+06 0.80 3.247058948e+06 0.82 2.413984146e+06 0.84 1.807468864e+06 0.86 1.362550266e+06 0.88 1.033814604e+06 0.90 7.892478919e+05 0.92 6.061014634e+05 0.94 4.680868319e+05 0.96 3.634558553e+05 0.98 2.836758508e+05 1.00 2.225079922e+05 1.02 1.753613392e+05 1.04 1.388367462e+05 1.06 1.104025749e+05 1.08 8.816256506e+04 1.10 7.068859663e+04 1.12 5.689945107e+04 1.14 4.597239265e+04 1.16 3.727831202e+04 1.18 3.033388826e+04 1.20 2.476611390e+04 1.22 2.028585157e+04 1.24 1.666802413e+04 1.26 1.373670240e+04 1.28 1.135382717e+04 1.30 9.410641114e+03 1.32 7.821151032e+03 1.34 6.517118035e+03 1.36 5.444202888e+03 1.38 4.558988297e+03 1.40 3.826669757e+03 1.42 3.219258137e+03 1.44 2.714175515e+03 1.46 2.293154338e+03 1.48 1.941371431e+03 1.50 1.646764476e+03 1.52 1.399490766e+03 1.54 1.191497271e+03 1.56 1.016178067e+03 1.58 8.681005746e+02 1.60 7.427861396e+02 1.62 6.365336725e+02 1.64 5.462775113e+02 1.66 4.694725533e+02 1.68 4.040011847e+02 1.70 3.480976770e+02 1.72 3.002866203e+02 1.74 2.593326654e+02 1.76 2.241994004e+02 1.78 1.940156232e+02 1.80 1.680476177e+02 1.82 1.456763154e+02 1.84 1.263784392e+02 1.86 1.097109045e+02 1.88 9.529788721e+01 1.90 8.282008047e+01 1.92 7.200575416e+01 1.94 6.262329855e+01 1.96 5.447499491e+01 1.98 4.739180153e+01 2.00 4.122898170e+01 2.02 3.586243130e+01 2.04 3.118558877e+01 2.06 2.710683072e+01 2.08 2.354727327e+01 2.10 2.043891285e+01 2.12 1.772305167e+01 2.14 1.534896219e+01 2.16 1.327275256e+01 2.18 1.145640140e+01 2.20 9.866935453e+00 2.22 8.475727988e+00 2.24 7.257899343e+00 2.26 6.191804096e+00 2.28 5.258591736e+00 2.30 4.441829810e+00 2.32 3.727180254e+00 2.34 3.102121063e+00 2.36 2.555706637e+00 2.38 2.078361202e+00 2.40 1.661700521e+00 2.42 1.298377847e+00 2.44 9.819506758e-01 2.46 7.067653551e-01 2.48 4.678570616e-01 2.50 2.608629971e-01 2.52 8.194698496e-02 2.54 -7.226609722e-02 2.56 -2.047473894e-01 2.58 -3.181137724e-01 2.60 -4.146712307e-01 2.62 -4.964527023e-01 2.64 -5.652511472e-01 2.66 -6.226484628e-01 2.68 -6.700407905e-01 2.70 -7.086606815e-01 2.72 -7.395965280e-01 2.74 -7.638096106e-01 2.76 -7.821490658e-01 2.78 -7.953650374e-01 2.80 -8.041202404e-01 2.82 -8.090001366e-01 2.84 -8.105218946e-01 2.86 -8.091422847e-01 2.88 -8.052646398e-01 2.90 -7.992449971e-01 2.92 -7.913975192e-01 2.94 -7.819992837e-01 2.96 -7.712945154e-01 2.98 -7.594983294e-01 3.00 -7.468000428e-01 3.02 -7.333661059e-01 3.04 -7.193426986e-01 3.06 -7.048580307e-01 3.08 -6.900243807e-01 3.10 -6.749399046e-01 3.12 -6.596902391e-01 3.14 -6.443499259e-01 3.16 -6.289836749e-01 3.18 -6.136474867e-01 3.20 -5.983896490e-01 3.22 -5.832516226e-01 3.24 -5.682688280e-01 3.26 -5.534713451e-01 3.28 -5.388845349e-01 3.30 -5.245295926e-01 3.32 -5.104240388e-01 3.34 -4.965821567e-01 3.36 -4.830153806e-01 3.38 -4.697326419e-01 3.40 -4.567406756e-01 3.42 -4.440442940e-01 3.44 -4.316466290e-01 3.46 -4.195493482e-01 3.48 -4.077528459e-01 3.50 -3.962564136e-01 3.52 -3.850583909e-01 3.54 -3.741562995e-01 3.56 -3.635469617e-01 3.58 -3.532266058e-01 3.60 -3.431909592e-01 3.62 -3.334353308e-01 3.64 -3.239546837e-01 3.66 -3.147436992e-01 3.68 -3.057968340e-01 3.70 -2.971083693e-01 3.72 -2.886724551e-01 3.74 -2.804831481e-01 3.76 -2.725344458e-01 3.78 -2.648203150e-01 3.80 -2.573347182e-01 3.82 -2.500716347e-01 3.84 -2.430250805e-01 3.86 -2.361891242e-01 3.88 -2.295579011e-01 3.90 -2.231256253e-01 3.92 -2.168865994e-01 3.94 -2.108352232e-01 3.96 -2.049660004e-01 3.98 -1.992735445e-01 4.00 -1.937525827e-01 4.02 -1.883979601e-01 4.04 -1.832046417e-01 4.06 -1.781677147e-01 4.08 -1.732823891e-01 4.10 -1.685439986e-01 4.12 -1.639480006e-01 4.14 -1.594899756e-01 4.16 -1.551656268e-01 4.18 -1.509707781e-01 4.20 -1.469013738e-01 4.22 -1.429534759e-01 4.24 -1.391232629e-01 4.26 -1.354070276e-01 4.28 -1.318011745e-01 4.30 -1.283022183e-01 4.32 -1.249067806e-01 4.34 -1.216115884e-01 4.36 -1.184134706e-01 4.38 -1.153093562e-01 4.40 -1.122962716e-01 4.42 -1.093713377e-01 4.44 -1.065317677e-01 4.46 -1.037748641e-01 4.48 -1.010980167e-01 4.50 -9.849869988e-02 4.52 -9.597446977e-02 4.54 -9.352296227e-02 4.56 -9.114189039e-02 4.58 -8.882904194e-02 4.60 -8.658227722e-02 4.62 -8.439952672e-02 4.64 -8.227878894e-02 4.66 -8.021812818e-02 4.68 -7.821567243e-02 4.70 -7.626961134e-02 4.72 -7.437819418e-02 4.74 -7.253972789e-02 4.76 -7.075257520e-02 4.78 -6.901515275e-02 4.80 -6.732592934e-02 4.82 -6.568342416e-02 4.84 -6.408620510e-02 4.86 -6.253288715e-02 4.88 -6.102213078e-02 4.90 -5.955264043e-02 4.92 -5.812316298e-02 4.94 -5.673248638e-02 4.96 -5.537943820e-02 4.98 -5.406288432e-02 5.00 -5.278172758e-02 5.02 -5.153490660e-02 5.04 -5.032139449e-02 5.06 -4.914019768e-02 5.08 -4.799035485e-02 5.10 -4.687093575e-02 5.12 -4.578104018e-02 5.14 -4.471979698e-02 5.16 -4.368636301e-02 5.18 -4.267992219e-02 5.20 -4.169968461e-02 5.22 -4.074488564e-02 5.24 -3.981478503e-02 5.26 -3.890866612e-02 5.28 -3.802583501e-02 5.30 -3.716561983e-02 5.32 -3.632736993e-02 5.34 -3.551045523e-02 5.36 -3.471426549e-02 5.38 -3.393820963e-02 5.40 -3.318171510e-02 5.42 -3.244422727e-02 5.44 -3.172520879e-02 5.46 -3.102413906e-02 5.48 -3.034051360e-02 5.50 -2.967384360e-02 5.52 -2.902365532e-02 5.54 -2.838948961e-02 5.56 -2.777090146e-02 5.58 -2.716745947e-02 5.60 -2.657874545e-02 5.62 -2.600435395e-02 5.64 -2.544389187e-02 5.66 -2.489697802e-02 5.68 -2.436324275e-02 5.70 -2.384232757e-02 5.72 -2.333388477e-02 5.74 -2.283757708e-02 5.76 -2.235307734e-02 5.78 -2.188006814e-02 5.80 -2.141824153e-02 5.82 -2.096729871e-02 5.84 -2.052694972e-02 5.86 -2.009691317e-02 5.88 -1.967691597e-02 5.90 -1.926669302e-02 5.92 -1.886598703e-02 5.94 -1.847454819e-02 5.96 -1.809213399e-02 5.98 -1.771850896e-02 6.00 -1.735344446e-02 6.02 -1.699671843e-02 6.04 -1.664811525e-02 6.06 -1.630742547e-02 6.08 -1.597444565e-02 6.10 -1.564897817e-02 6.12 -1.533083103e-02 6.14 -1.501981770e-02 6.16 -1.471575693e-02 6.18 -1.441847259e-02 6.20 -1.412779352e-02 6.22 -1.384355338e-02 6.24 -1.356559048e-02 6.26 -1.329374765e-02 6.28 -1.302787212e-02 6.30 -1.276781534e-02 6.32 -1.251343289e-02 6.34 -1.226458436e-02 6.36 -1.202113318e-02 6.38 -1.178294657e-02 6.40 -1.154989536e-02 6.42 -1.132185393e-02 6.44 -1.109870007e-02 6.46 -1.088031492e-02 6.48 -1.066658282e-02 6.50 -1.045739124e-02 6.52 -1.025263070e-02 6.54 -1.005219465e-02 6.56 -9.855979408e-03 6.58 -9.663884056e-03 6.60 -9.475810374e-03 6.62 -9.291662756e-03 6.64 -9.111348130e-03 6.66 -8.934775888e-03 6.68 -8.761857812e-03 6.70 -8.592508006e-03 6.72 -8.426642828e-03 6.74 -8.264180827e-03 6.76 -8.105042675e-03 6.78 -7.949151112e-03 6.80 -7.796430881e-03 6.82 -7.646808676e-03 6.84 -7.500213083e-03 6.86 -7.356574528e-03 6.88 -7.215825220e-03 6.90 -7.077899111e-03 6.92 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