# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 1958--Bernardes-N--Ne # implementation = LJ_Shifted_Bernardes_1958MedCutoff_Ne__MO_160637895352_004 # 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 Ne Ne 0.02 5.420863742e+23 0.04 1.323453062e+20 0.06 1.020031149e+18 0.08 3.231086575e+16 0.10 2.220385783e+15 0.12 2.490310406e+14 0.14 3.916444740e+13 0.16 7.888394651e+12 0.18 1.919368411e+12 0.20 5.420862922e+11 0.22 1.727253784e+11 0.24 6.079856687e+10 0.26 2.326740484e+10 0.28 9.561621947e+09 0.30 4.178040391e+09 0.32 1.925872790e+09 0.34 9.304217391e+08 0.36 4.685934306e+08 0.38 2.449188375e+08 0.40 1.323440251e+08 0.42 7.369386267e+07 0.44 4.216857002e+07 0.46 2.473573019e+07 0.48 1.484297780e+07 0.50 9.094364371e+06 0.52 5.680257503e+06 0.54 3.611418953e+06 0.56 2.334212880e+06 0.58 1.531981229e+06 0.60 1.019918685e+06 0.62 6.881290084e+05 0.64 4.701086233e+05 0.66 3.249498757e+05 0.68 2.271015014e+05 0.70 1.603729792e+05 0.72 1.143656172e+05 0.74 8.231504915e+04 0.76 5.976783379e+04 0.78 4.375845899e+04 0.80 3.229084941e+04 0.82 2.400767435e+04 0.84 1.797696256e+04 0.86 1.355288059e+04 0.88 1.028393887e+04 0.90 7.851860171e+03 0.92 6.030478219e+03 0.94 4.657851026e+03 0.96 3.617175182e+03 0.98 2.823614636e+03 1.00 2.215138623e+03 1.02 1.746099709e+03 1.04 1.382699502e+03 1.06 1.099764668e+03 1.08 8.784391427e+02 1.10 7.045214524e+02 1.12 5.672593526e+02 1.14 4.584707448e+02 1.16 3.718988489e+02 1.18 3.027365699e+02 1.20 2.472737792e+02 1.22 2.026343883e+02 1.24 1.665793755e+02 1.26 1.373585066e+02 1.28 1.135981898e+02 1.30 9.421627429e+01 1.32 7.835703677e+01 1.34 6.534136062e+01 1.36 5.462840113e+01 1.38 4.578597084e+01 1.40 3.846757307e+01 1.42 3.239452424e+01 1.44 2.734198684e+01 1.46 2.312801907e+01 1.48 1.960495993e+01 1.50 1.665262923e+01 1.52 1.417294261e+01 1.54 1.208563370e+01 1.56 1.032484537e+01 1.58 8.836405338e+00 1.60 7.575642440e+00 1.62 6.505631294e+00 1.64 5.595777408e+00 1.66 4.820673637e+00 1.68 4.159173530e+00 1.70 3.593638503e+00 1.72 3.109324701e+00 1.74 2.693882422e+00 1.76 2.336946454e+00 1.78 2.029800048e+00 1.80 1.765098655e+00 1.82 1.536642306e+00 1.84 1.339187651e+00 1.86 1.168292436e+00 1.88 1.020186535e+00 1.90 8.916648059e-01 1.92 7.799978838e-01 1.94 6.828577797e-01 1.96 5.982557014e-01 1.98 5.244899953e-01 2.00 4.601024846e-01 2.02 4.038417815e-01 2.04 3.546324093e-01 2.06 3.115487677e-01 2.08 2.737931470e-01 2.10 2.406771302e-01 2.12 2.116058361e-01 2.14 1.860645494e-01 2.16 1.636073573e-01 2.18 1.438474782e-01 2.20 1.264490186e-01 2.22 1.111199360e-01 2.24 9.760602380e-02 2.26 8.568576262e-02 2.28 7.516590693e-02 2.30 6.587769710e-02 2.32 5.767360412e-02 2.34 5.042452828e-02 2.36 4.401738573e-02 2.38 3.835302642e-02 2.40 3.334443598e-02 2.42 2.891518080e-02 2.44 2.499806196e-02 2.46 2.153394864e-02 2.48 1.847076583e-02 2.50 1.576261519e-02 2.52 1.336901045e-02 2.54 1.125421203e-02 2.56 9.386647107e-03 2.58 7.738403910e-03 2.60 6.284790106e-03 2.62 5.003946905e-03 2.64 3.876511460e-03 2.66 2.885321287e-03 2.68 2.015155205e-03 2.70 1.252506105e-03 2.72 5.853814404e-04 2.74 3.127926081e-06 2.76 -5.037226385e-04 2.78 -9.435890694e-04 2.80 -1.323960337e-03 2.82 -1.651500949e-03 2.84 -1.932143935e-03 2.86 -2.171172933e-03 2.88 -2.373294737e-03 2.90 -2.542703442e-03 2.92 -2.683137195e-03 2.94 -2.797928466e-03 2.96 -2.890048574e-03 2.98 -2.962147185e-03 3.00 -3.016587339e-03 3.02 -3.055476565e-03 3.04 -3.080694507e-03 3.06 -3.093917493e-03 3.08 -3.096640377e-03 3.10 -3.090195982e-03 3.12 -3.075772413e-03 3.14 -3.054428476e-03 3.16 -3.027107423e-03 3.18 -2.994649214e-03 3.20 -2.957801452e-03 3.22 -2.917229145e-03 3.24 -2.873523424e-03 3.26 -2.827209336e-03 3.28 -2.778752801e-03 3.30 -2.728566840e-03 3.32 -2.677017140e-03 3.34 -2.624427039e-03 3.36 -2.571081985e-03 3.38 -2.517233528e-03 3.40 -2.463102894e-03 3.42 -2.408884196e-03 3.44 -2.354747298e-03 3.46 -2.300840393e-03 3.48 -2.247292307e-03 3.50 -2.194214572e-03 3.52 -2.141703279e-03 3.54 -2.089840740e-03 3.56 -2.038696988e-03 3.58 -1.988331109e-03 3.60 -1.938792449e-03 3.62 -1.890121690e-03 3.64 -1.842351818e-03 3.66 -1.795508989e-03 3.68 -1.749613311e-03 3.70 -1.704679542e-03 3.72 -1.660717711e-03 3.74 -1.617733689e-03 3.76 -1.575729682e-03 3.78 -1.534704690e-03 3.80 -1.494654909e-03 3.82 -1.455574092e-03 3.84 -1.417453871e-03 3.86 -1.380284053e-03 3.88 -1.344052872e-03 3.90 -1.308747225e-03 3.92 -1.274352876e-03 3.94 -1.240854644e-03 3.96 -1.208236560e-03 3.98 -1.176482022e-03 4.00 -1.145573916e-03 4.02 -1.115494740e-03 4.04 -1.086226697e-03 4.06 -1.057751792e-03 4.08 -1.030051910e-03 4.10 -1.003108884e-03 4.12 -9.769045579e-04 4.14 -9.514208414e-04 4.16 -9.266397558e-04 4.18 -9.025434751e-04 4.20 -8.791143614e-04 4.22 -8.563349952e-04 4.24 -8.341882015e-04 4.26 -8.126570714e-04 4.28 -7.917249810e-04 4.30 -7.713756062e-04 4.32 -7.515929356e-04 4.34 -7.323612800e-04 4.36 -7.136652807e-04 4.38 -6.954899148e-04 4.40 -6.778204993e-04 4.42 -6.606426938e-04 4.44 -6.439425012e-04 4.46 -6.277062681e-04 4.48 -6.119206833e-04 4.50 -5.965727759e-04 4.52 -5.816499125e-04 4.54 -5.671397934e-04 4.56 -5.530304488e-04 4.58 -5.393102338e-04 4.60 -5.259678239e-04 4.62 -5.129922088e-04 4.64 -5.003726872e-04 4.66 -4.880988608e-04 4.68 -4.761606278e-04 4.70 -4.645481770e-04 4.72 -4.532519808e-04 4.74 -4.422627894e-04 4.76 -4.315716233e-04 4.78 -4.211697678e-04 4.80 -4.110487652e-04 4.82 -4.012004092e-04 4.84 -3.916167380e-04 4.86 -3.822900276e-04 4.88 -3.732127856e-04 4.90 -3.643777450e-04 4.92 -3.557778574e-04 4.94 -3.474062877e-04 4.96 -3.392564071e-04 4.98 -3.313217879e-04 5.00 -3.235961974e-04 5.02 -3.160735921e-04 5.04 -3.087481122e-04 5.06 -3.016140763e-04 5.08 -2.946659758e-04 5.10 -2.878984699e-04 5.12 -2.813063805e-04 5.14 -2.748846872e-04 5.16 -2.686285225e-04 5.18 -2.625331671e-04 5.20 -2.565940454e-04 5.22 -2.508067211e-04 5.24 -2.451668928e-04 5.26 -2.396703897e-04 5.28 -2.343131679e-04 5.30 -2.290913060e-04 5.32 -2.240010016e-04 5.34 -2.190385675e-04 5.36 -2.142004278e-04 5.38 -2.094831151e-04 5.40 -2.048832662e-04 5.42 -2.003976195e-04 5.44 -1.960230115e-04 5.46 -1.917563738e-04 5.48 -1.875947302e-04 5.50 -1.835351934e-04 5.52 -1.795749627e-04 5.54 -1.757113209e-04 5.56 -1.719416320e-04 5.58 -1.682633383e-04 5.60 -1.646739581e-04 5.62 -1.611710833e-04 5.64 -1.577523771e-04 5.66 -1.544155718e-04 5.68 -1.511584663e-04 5.70 -1.479789247e-04 5.72 -1.448748733e-04 5.74 -1.418442997e-04 5.76 -1.388852499e-04 5.78 -1.359958272e-04 5.80 -1.331741900e-04 5.82 -1.304185504e-04 5.84 -1.277271721e-04 5.86 -1.250983691e-04 5.88 -1.225305042e-04 5.90 -1.200219872e-04 5.92 -1.175712738e-04 5.94 -1.151768636e-04 5.96 -1.128372996e-04 5.98 -1.105511659e-04 6.00 -1.083170874e-04 6.02 -1.061337276e-04 6.04 -1.039997882e-04 6.06 -1.019140075e-04 6.08 -9.987515926e-05 6.10 -9.788205197e-05 6.12 -9.593352741e-05 6.14 -9.402845983e-05 6.16 -9.216575492e-05 6.18 -9.034434887e-05 6.20 -8.856320741e-05 6.22 -8.682132500e-05 6.24 -8.511772385e-05 6.26 -8.345145319e-05 6.28 -8.182158841e-05 6.30 -8.022723027e-05 6.32 -7.866750415e-05 6.34 -7.714155934e-05 6.36 -7.564856830e-05 6.38 -7.418772599e-05 6.40 -7.275824917e-05 6.42 -7.135937580e-05 6.44 -6.999036440e-05 6.46 -6.865049343e-05 6.48 -6.733906070e-05 6.50 -6.605538285e-05 6.52 -6.479879473e-05 6.54 -6.356864893e-05 6.56 -6.236431523e-05 6.58 -6.118518012e-05 6.60 -6.003064627e-05 6.62 -5.890013215e-05 6.64 -5.779307148e-05 6.66 -5.670891285e-05 6.68 -5.564711926e-05 6.70 -5.460716776e-05 6.72 -5.358854896e-05 6.74 -5.259076674e-05 6.76 -5.161333780e-05 6.78 -5.065579133e-05 6.80 -4.971766866e-05 6.82 -4.879852288e-05 6.84 -4.789791857e-05 6.86 -4.701543142e-05 6.88 -4.615064793e-05 6.90 -4.530316516e-05 6.92 -4.447259034e-05 6.94 -4.365854068e-05 6.96 -4.286064304e-05 6.98 -4.207853367e-05 7.00 -4.131185796e-05 7.02 -4.056027018e-05 7.04 -3.982343324e-05 7.06 -3.910101845e-05 7.08 -3.839270530e-05 7.10 -3.769818122e-05 7.12 -3.701714137e-05 7.14 -3.634928843e-05 7.16 -3.569433241e-05 7.18 -3.505199042e-05 7.20 -3.442198652e-05 7.22 -3.380405148e-05 7.24 -3.319792265e-05 7.26 -3.260334377e-05 7.28 -3.202006476e-05 7.30 -3.144784163e-05 7.32 -3.088643623e-05 7.34 -3.033561617e-05 7.36 -2.979515464e-05 7.38 -2.926483023e-05 7.40 -2.874442685e-05 7.42 -2.823373354e-05 7.44 -2.773254435e-05 7.46 -2.724065822e-05 7.48 -2.675787885e-05 7.50 -2.628401456e-05 7.52 -2.581887818e-05 7.54 -2.536228692e-05 7.56 -2.491406231e-05 7.58 -2.447402999e-05 7.60 -2.404201972e-05 7.62 -2.361786518e-05 7.64 -2.320140392e-05 7.66 -2.279247723e-05 7.68 -2.239093009e-05 7.70 -2.199661102e-05 7.72 -2.160937204e-05 7.74 -2.122906854e-05 7.76 -2.085555922e-05 7.78 -2.048870601e-05 7.80 -2.012837397e-05 7.82 -1.977443122e-05 7.84 -1.942674887e-05 7.86 -1.908520094e-05 7.88 -1.874966427e-05 7.90 -1.842001849e-05 7.92 -1.809614592e-05 7.94 -1.777793149e-05 7.96 -1.746526274e-05 7.98 -1.715802967e-05 8.00 -1.685612475e-05 8.02 -1.655944281e-05 8.04 -1.626788102e-05 8.06 -1.598133882e-05 8.08 -1.569971783e-05 8.10 -1.542292187e-05 8.12 -1.515085683e-05 8.14 -1.488343068e-05 8.16 -1.462055338e-05 8.18 -1.436213686e-05 8.20 -1.410809494e-05 8.22 -1.385834333e-05 8.24 -1.361279952e-05 8.26 -1.337138283e-05 8.28 -1.313401426e-05 8.30 -1.290061655e-05 8.32 -1.267111405e-05 8.34 -1.244543275e-05 8.36 -1.222350021e-05 8.38 -1.200524553e-05 8.40 -1.179059930e-05 8.42 -1.157949360e-05 8.44 -1.137186191e-05 8.46 -1.116763915e-05 8.48 -1.096676157e-05 8.50 -1.076916677e-05 8.52 -1.057479366e-05 8.54 -1.038358242e-05 8.56 -1.019547447e-05 8.58 -1.001041245e-05 8.60 -9.828340187e-06 8.62 -9.649202666e-06 8.64 -9.472946011e-06 8.66 -9.299517453e-06 8.68 -9.128865306e-06 8.70 -8.960938941e-06 8.72 -8.795688767e-06 8.74 -8.633066201e-06 8.76 -8.473023651e-06 8.78 -8.315514489e-06 8.80 -8.160493034e-06 8.82 -8.007914525e-06 8.84 -7.857735106e-06 8.86 -7.709911804e-06 8.88 -7.564402507e-06 8.90 -7.421165949e-06 8.92 -7.280161685e-06 8.94 -7.141350082e-06 8.96 -7.004692293e-06 8.98 -6.870150241e-06 9.00 -6.737686608e-06 9.02 -6.607264810e-06 9.04 -6.478848987e-06 9.06 -6.352403984e-06 9.08 -6.227895338e-06 9.10 -6.105289262e-06 9.12 -5.984552627e-06 9.14 -5.865652955e-06 9.16 -5.748558397e-06 9.18 -5.633237726e-06 9.20 -5.519660318e-06 9.22 -5.407796145e-06 9.24 -5.297615757e-06 9.26 -5.189090272e-06 9.28 -5.082191364e-06 9.30 -4.976891249e-06 9.32 -4.873162678e-06 9.34 -4.770978921e-06 9.36 -4.670313759e-06 9.38 -4.571141470e-06 9.40 -4.473436824e-06 9.42 -4.377175065e-06 9.44 -4.282331909e-06 9.46 -4.188883529e-06 9.48 -4.096806547e-06 9.50 -4.006078024e-06 9.52 -3.916675451e-06 9.54 -3.828576743e-06 9.56 -3.741760225e-06 9.58 -3.656204626e-06 9.60 -3.571889073e-06 9.62 -3.488793079e-06 9.64 -3.406896537e-06 9.66 -3.326179712e-06 9.68 -3.246623234e-06 9.70 -3.168208088e-06 9.72 -3.090915609e-06 9.74 -3.014727477e-06 9.76 -2.939625703e-06 9.78 -2.865592631e-06 9.80 -2.792610923e-06 9.82 -2.720663561e-06 9.84 -2.649733832e-06 9.86 -2.579805328e-06 9.88 -2.510861937e-06 9.90 -2.442887839e-06 9.92 -2.375867498e-06 9.94 -2.309785658e-06 9.96 -2.244627336e-06 9.98 -2.180377818e-06 10.00 -2.117022654e-06