# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2015--Elliott-R-S-Akerson-A--Lr # 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 Lr Lr 0.02 3.912349413e+26 0.04 9.551634310e+22 0.06 7.361775650e+20 0.08 2.331941969e+19 0.10 1.602498317e+18 0.12 1.797308499e+17 0.14 2.826579135e+16 0.16 5.693217529e+15 0.18 1.385247883e+15 0.20 3.912348964e+14 0.22 1.246594839e+14 0.24 4.387958721e+13 0.26 1.679256997e+13 0.28 6.900822093e+12 0.30 3.015379362e+12 0.32 1.389943050e+12 0.34 6.715051913e+11 0.36 3.381939836e+11 0.38 1.767632903e+11 0.40 9.551564110e+10 0.42 5.318655004e+10 0.44 3.043405425e+10 0.46 1.785238399e+10 0.48 1.071255842e+10 0.50 6.563649093e+09 0.52 4.099605362e+09 0.54 2.606472474e+09 0.56 1.684679243e+09 0.58 1.105686466e+09 0.60 7.361159356e+08 0.62 4.966529786e+08 0.64 3.393003763e+08 0.66 2.345340713e+08 0.68 1.639130683e+08 0.70 1.157522426e+08 0.72 8.254657344e+07 0.74 5.941402404e+07 0.76 4.314041177e+07 0.78 3.158543235e+07 0.80 2.330845098e+07 0.82 1.732983346e+07 0.84 1.297694043e+07 0.86 9.783647350e+06 0.88 7.424094213e+06 0.90 5.668565133e+06 0.92 4.353824202e+06 0.94 3.362988782e+06 0.96 2.611754704e+06 0.98 2.038890131e+06 1.00 1.599622937e+06 1.02 1.261005731e+06 1.04 9.986432659e+05 1.06 7.943655390e+05 1.08 6.345621525e+05 1.10 5.089822719e+05 1.12 4.098646474e+05 1.14 3.313031278e+05 1.16 2.687812472e+05 1.18 2.188289269e+05 1.20 1.787678918e+05 1.22 1.465218957e+05 1.24 1.204745485e+05 1.26 9.936228839e+04 1.28 8.219343597e+04 1.30 6.818669478e+04 1.32 5.672422324e+04 1.34 4.731567259e+04 1.36 3.957051539e+04 1.38 3.317666807e+04 1.40 2.788391234e+04 1.42 2.349098970e+04 1.44 1.983551879e+04 1.46 1.678609022e+04 1.48 1.423604734e+04 1.50 1.209857701e+04 1.52 1.030282189e+04 1.54 8.790791922e+03 1.56 7.514903209e+03 1.58 6.436010959e+03 1.60 5.521832713e+03 1.62 4.745680864e+03 1.64 4.085440961e+03 1.66 3.522745926e+03 1.68 3.042306848e+03 1.70 2.631369305e+03 1.72 2.279270527e+03 1.74 1.977077849e+03 1.76 1.717292802e+03 1.78 1.493608387e+03 1.80 1.300709501e+03 1.82 1.134108489e+03 1.84 9.900093508e+02 1.86 8.651953580e+02 1.88 7.569358675e+02 1.90 6.629088868e+02 1.92 5.811366040e+02 1.94 5.099316093e+02 1.96 4.478519469e+02 1.98 3.936634805e+02 2.00 3.463083242e+02 2.02 3.048783129e+02 2.04 2.685926720e+02 2.06 2.367791863e+02 2.08 2.088582960e+02 2.10 1.843296408e+02 2.12 1.627606590e+02 2.14 1.437769110e+02 2.16 1.270538542e+02 2.18 1.123098418e+02 2.20 9.930015356e+01 2.22 8.781189970e+01 2.24 7.765966378e+01 2.26 6.868177229e+01 2.28 6.073709641e+01 2.30 5.370230639e+01 2.32 4.746951142e+01 2.34 4.194422809e+01 2.36 3.704362974e+01 2.38 3.269503580e+01 2.40 2.883460661e+01 2.42 2.540621464e+01 2.44 2.236046687e+01 2.46 1.965385730e+01 2.48 1.724803130e+01 2.50 1.510914648e+01 2.52 1.320731662e+01 2.54 1.151612759e+01 2.56 1.001221527e+01 2.58 8.674897290e+00 2.60 7.485851332e+00 2.62 6.428833905e+00 2.64 5.489434171e+00 2.66 4.654858307e+00 2.68 3.913740418e+00 2.70 3.255976586e+00 2.72 2.672579086e+00 2.74 2.155548209e+00 2.76 1.697759463e+00 2.78 1.292864230e+00 2.80 9.352021931e-01 2.82 6.197240801e-01 2.84 3.419234487e-01 2.86 9.777641325e-02 2.88 -1.163116563e-01 2.90 -3.035533053e-01 2.92 -4.668207712e-01 2.94 -6.086830087e-01 2.96 -7.314385297e-01 2.98 -8.371445494e-01 3.00 -9.276428726e-01 3.02 -1.004582901e+00 3.04 -1.069442093e+00 3.06 -1.123544173e+00 3.08 -1.168075345e+00 3.10 -1.204098741e+00 3.12 -1.232567297e+00 3.14 -1.254335249e+00 3.16 -1.270168386e+00 3.18 -1.280753209e+00 3.20 -1.286705118e+00 3.22 -1.288575729e+00 3.24 -1.286859421e+00 3.26 -1.281999191e+00 3.28 -1.274391904e+00 3.30 -1.264392990e+00 3.32 -1.252320654e+00 3.34 -1.238459657e+00 3.36 -1.223064699e+00 3.38 -1.206363460e+00 3.40 -1.188559333e+00 3.42 -1.169833868e+00 3.44 -1.150348981e+00 3.46 -1.130248930e+00 3.48 -1.109662094e+00 3.50 -1.088702573e+00 3.52 -1.067471633e+00 3.54 -1.046058994e+00 3.56 -1.024544000e+00 3.58 -1.002996670e+00 3.60 -9.814786413e-01 3.62 -9.600440234e-01 3.64 -9.387401631e-01 3.66 -9.176083376e-01 3.68 -8.966843771e-01 3.70 -8.759992265e-01 3.72 -8.555794516e-01 3.74 -8.354476961e-01 3.76 -8.156230925e-01 3.78 -7.961216332e-01 3.80 -7.769565055e-01 3.82 -7.581383927e-01 3.84 -7.396757459e-01 3.86 -7.215750296e-01 3.88 -7.038409421e-01 3.90 -6.864766148e-01 3.92 -6.694837915e-01 3.94 -6.528629898e-01 3.96 -6.366136470e-01 3.98 -6.207342504e-01 4.00 -6.052224558e-01 4.02 -5.900751929e-01 4.04 -5.752887612e-01 4.06 -5.608589150e-01 4.08 -5.467809408e-01 4.10 -5.330497256e-01 4.12 -5.196598195e-01 4.14 -5.066054906e-01 4.16 -4.938807746e-01 4.18 -4.814795192e-01 4.20 -4.693954234e-01 4.22 -4.576220729e-01 4.24 -4.461529716e-01 4.26 -4.349815691e-01 4.28 -4.241012855e-01 4.30 -4.135055334e-01 4.32 -4.031877369e-01 4.34 -3.931413487e-01 4.36 -3.833598650e-01 4.38 -3.738368381e-01 4.40 -3.645658880e-01 4.42 -3.555407123e-01 4.44 -3.467550940e-01 4.46 -3.382029090e-01 4.48 -3.298781321e-01 4.50 -3.217748421e-01 4.52 -3.138872256e-01 4.54 -3.062095809e-01 4.56 -2.987363199e-01 4.58 -2.914619709e-01 4.60 -2.843811796e-01 4.62 -2.774887100e-01 4.64 -2.707794449e-01 4.66 -2.642483865e-01 4.68 -2.578906553e-01 4.70 -2.517014902e-01 4.72 -2.456762475e-01 4.74 -2.398103998e-01 4.76 -2.340995346e-01 4.78 -2.285393532e-01 4.80 -2.231256690e-01 4.82 -2.178544053e-01 4.84 -2.127215944e-01 4.86 -2.077233749e-01 4.88 -2.028559899e-01 4.90 -1.981157853e-01 4.92 -1.934992072e-01 4.94 -1.890028000e-01 4.96 -1.846232044e-01 4.98 -1.803571550e-01 5.00 -1.762014782e-01 5.02 -1.721530898e-01 5.04 -1.682089932e-01 5.06 -1.643662771e-01 5.08 -1.606221132e-01 5.10 -1.569737541e-01 5.12 -1.534185314e-01 5.14 -1.499538533e-01 5.16 -1.465772029e-01 5.18 -1.432861359e-01 5.20 -1.400782788e-01 5.22 -1.369513267e-01 5.24 -1.339030417e-01 5.26 -1.309312509e-01 5.28 -1.280338446e-01 5.30 -1.252087741e-01 5.32 -1.224540508e-01 5.34 -1.197677436e-01 5.36 -1.171479779e-01 5.38 -1.145929334e-01 5.40 -1.121008431e-01 5.42 -1.096699910e-01 5.44 -1.072987116e-01 5.46 -1.049853874e-01 5.48 -1.027284480e-01 5.50 -1.005263688e-01 5.52 -9.837766942e-02 5.54 -9.628091226e-02 5.56 -9.423470155e-02 5.58 -9.223768191e-02 5.60 -9.028853716e-02 5.62 -8.838598915e-02 5.64 -8.652879664e-02 5.66 -8.471575417e-02 5.68 -8.294569099e-02 5.70 -8.121747002e-02 5.72 -7.952998683e-02 5.74 -7.788216864e-02 5.76 -7.627297342e-02 5.78 -7.470138889e-02 5.80 -7.316643169e-02 5.82 -7.166714646e-02 5.84 -7.020260503e-02 5.86 -6.877190559e-02 5.88 -6.737417187e-02 5.90 -6.600855243e-02 5.92 -6.467421985e-02 5.94 -6.337037006e-02 5.96 -6.209622161e-02 5.98 -6.085101497e-02 6.00 -5.963401195e-02 6.02 -5.844449496e-02 6.04 -5.728176649e-02 6.06 -5.614514844e-02 6.08 -5.503398156e-02 6.10 -5.394762491e-02 6.12 -5.288545529e-02 6.14 -5.184686672e-02 6.16 -5.083126992e-02 6.18 -4.983809185e-02 6.20 -4.886677518e-02 6.22 -4.791677784e-02 6.24 -4.698757259e-02 6.26 -4.607864659e-02 6.28 -4.518950091e-02 6.30 -4.431965020e-02 6.32 -4.346862224e-02 6.34 -4.263595760e-02 6.36 -4.182120920e-02 6.38 -4.102394202e-02 6.40 -4.024373271e-02 6.42 -3.948016925e-02 6.44 -3.873285063e-02 6.46 -3.800138653e-02 6.48 -3.728539703e-02 6.50 -3.658451225e-02 6.52 -3.589837214e-02 6.54 -3.522662613e-02 6.56 -3.456893290e-02 6.58 -3.392496010e-02 6.60 -3.329438408e-02 6.62 -3.267688967e-02 6.64 -3.207216992e-02 6.66 -3.147992586e-02 6.68 -3.089986631e-02 6.70 -3.033170760e-02 6.72 -2.977517341e-02 6.74 -2.922999454e-02 6.76 -2.869590873e-02 6.78 -2.817266041e-02 6.80 -2.766000058e-02 6.82 -2.715768660e-02 6.84 -2.666548199e-02 6.86 -2.618315630e-02 6.88 -2.571048490e-02 6.90 -2.524724885e-02 6.92 -2.479323475e-02 6.94 -2.434823453e-02 6.96 -2.391204537e-02 6.98 -2.348446953e-02 7.00 -2.306531420e-02 7.02 -2.265439137e-02 7.04 -2.225151772e-02 7.06 -2.185651445e-02 7.08 -2.146920721e-02 7.10 -2.108942593e-02 7.12 -2.071700474e-02 7.14 -2.035178184e-02 7.16 -1.999359939e-02 7.18 -1.964230340e-02 7.20 -1.929774366e-02 7.22 -1.895977357e-02 7.24 -1.862825013e-02 7.26 -1.830303378e-02 7.28 -1.798398831e-02 7.30 -1.767098083e-02 7.32 -1.736388161e-02 7.34 -1.706256404e-02 7.36 -1.676690454e-02 7.38 -1.647678247e-02 7.40 -1.619208007e-02 7.42 -1.591268236e-02 7.44 -1.563847710e-02 7.46 -1.536935468e-02 7.48 -1.510520809e-02 7.50 -1.484593282e-02 7.52 -1.459142684e-02 7.54 -1.434159046e-02 7.56 -1.409632635e-02 7.58 -1.385553944e-02 7.60 -1.361913686e-02 7.62 -1.338702791e-02 7.64 -1.315912395e-02 7.66 -1.293533842e-02 7.68 -1.271558674e-02 7.70 -1.249978626e-02 7.72 -1.228785623e-02 7.74 -1.207971775e-02 7.76 -1.187529370e-02 7.78 -1.167450874e-02 7.80 -1.147728920e-02 7.82 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