# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2016--Nichol-A-Ackland-G-J--Rb # implementation = 2016--Nichol-A--Rb--LAMMPS--ipr2 # 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 2022-05-24 r Rb Rb 0.02 7.954727441e+05 0.04 3.300129096e+05 0.06 1.862462335e+05 0.08 1.199549235e+05 0.10 8.326612568e+04 0.12 6.067160180e+04 0.14 4.574307513e+04 0.16 3.537737862e+04 0.18 2.790992197e+04 0.20 2.237554171e+04 0.22 1.818018331e+04 0.24 1.494060749e+04 0.26 1.240007219e+04 0.28 1.038120808e+04 0.30 8.758323852e+03 0.32 7.440428852e+03 0.34 6.360446945e+03 0.36 5.468151742e+03 0.38 4.725416685e+03 0.40 4.102948613e+03 0.42 3.577996988e+03 0.44 3.132719564e+03 0.46 2.752998630e+03 0.48 2.427571997e+03 0.50 2.147387351e+03 0.52 1.905117328e+03 0.54 1.694791703e+03 0.56 1.511515896e+03 0.58 1.351253744e+03 0.60 1.210658583e+03 0.62 1.086940951e+03 0.64 9.777642818e+02 0.66 8.811621549e+02 0.68 7.954722421e+02 0.70 7.192832965e+02 0.72 6.513923734e+02 0.74 5.907701321e+02 0.76 5.365325542e+02 0.78 4.879177810e+02 0.80 4.442670588e+02 0.82 4.050089937e+02 0.84 3.696464865e+02 0.86 3.377458466e+02 0.88 3.089276866e+02 0.90 2.828592762e+02 0.92 2.592480986e+02 0.94 2.378364002e+02 0.96 2.183965660e+02 0.98 2.007271804e+02 1.00 1.846496600e+02 1.02 1.699373229e+02 1.04 1.564060453e+02 1.06 1.439621878e+02 1.08 1.325192932e+02 1.10 1.219975710e+02 1.12 1.123234119e+02 1.14 1.034289343e+02 1.16 9.525156112e+01 1.18 8.773362509e+01 1.20 8.082200057e+01 1.22 7.446776121e+01 1.24 6.862586128e+01 1.26 6.325483948e+01 1.28 5.831654379e+01 1.30 5.377587619e+01 1.32 4.960055573e+01 1.34 4.576089906e+01 1.36 4.222961707e+01 1.38 3.898162658e+01 1.40 3.599387625e+01 1.42 3.324518545e+01 1.44 3.071609549e+01 1.46 2.838873211e+01 1.48 2.624667855e+01 1.50 2.427485846e+01 1.52 2.245942784e+01 1.54 2.078767548e+01 1.56 1.924793114e+01 1.58 1.782948102e+01 1.60 1.652248990e+01 1.62 1.531792949e+01 1.64 1.420751242e+01 1.66 1.318363165e+01 1.68 1.223930460e+01 1.70 1.136812195e+01 1.72 1.056420040e+01 1.74 9.822139448e+00 1.76 9.136981532e+00 1.78 8.504175525e+00 1.80 7.919543168e+00 1.82 7.379248269e+00 1.84 6.879768430e+00 1.86 6.417869102e+00 1.88 5.990579777e+00 1.90 5.595172152e+00 1.92 5.229140092e+00 1.94 4.890181255e+00 1.96 4.576180248e+00 1.98 4.285193168e+00 2.00 4.015433438e+00 2.02 3.765258817e+00 2.04 3.533159495e+00 2.06 3.317747168e+00 2.08 3.117745039e+00 2.10 2.931978638e+00 2.12 2.759367419e+00 2.14 2.598917045e+00 2.16 2.449712329e+00 2.18 2.310910753e+00 2.20 2.181736532e+00 2.22 2.061475173e+00 2.24 1.949468484e+00 2.26 1.845110001e+00 2.28 1.747840795e+00 2.30 1.657145626e+00 2.32 1.572549419e+00 2.34 1.493614030e+00 2.36 1.419935281e+00 2.38 1.351140246e+00 2.40 1.286884749e+00 2.42 1.226851086e+00 2.44 1.170745921e+00 2.46 1.118298361e+00 2.48 1.069258194e+00 2.50 1.023394266e+00 2.52 9.804929940e-01 2.54 9.403570039e-01 2.56 9.028038773e-01 2.58 8.676650030e-01 2.60 8.347845233e-01 2.62 8.040183668e-01 2.64 7.752333608e-01 2.66 7.483064180e-01 2.68 7.231237893e-01 2.70 6.995803798e-01 2.72 6.775791208e-01 2.74 6.477120184e-01 2.76 5.910143126e-01 2.78 5.351542155e-01 2.80 4.805103549e-01 2.82 4.274205435e-01 2.84 3.761841181e-01 2.86 3.270642077e-01 2.88 2.802899316e-01 2.90 2.360585096e-01 2.92 1.941758968e-01 2.94 1.544435734e-01 2.96 1.170077267e-01 2.98 8.198699606e-02 3.00 4.947444067e-02 3.02 1.951699875e-02 3.04 -8.178517406e-03 3.06 -3.389406331e-02 3.08 -5.783966093e-02 3.10 -8.020705184e-02 3.12 -1.011708302e-01 3.14 -1.208895269e-01 3.16 -1.395066457e-01 3.18 -1.571516536e-01 3.20 -1.739409262e-01 3.22 -1.899786493e-01 3.24 -2.053576793e-01 3.26 -2.201603612e-01 3.28 -2.344593085e-01 3.30 -2.483181442e-01 3.32 -2.617922041e-01 3.34 -2.749292053e-01 3.36 -2.877698792e-01 3.38 -3.003485713e-01 3.40 -3.126938083e-01 3.42 -3.248288342e-01 3.44 -3.367592005e-01 3.46 -3.484226628e-01 3.48 -3.598072585e-01 3.50 -3.709118049e-01 3.52 -3.817357065e-01 3.54 -3.922789009e-01 3.56 -4.025418086e-01 3.58 -4.125252852e-01 3.60 -4.222305772e-01 3.62 -4.316592807e-01 3.64 -4.408133025e-01 3.66 -4.496948240e-01 3.68 -4.583062680e-01 3.70 -4.666502677e-01 3.72 -4.747296378e-01 3.74 -4.825473482e-01 3.76 -4.901064999e-01 3.78 -4.974103024e-01 3.80 -5.044620539e-01 3.82 -5.112651225e-01 3.84 -5.178229295e-01 3.86 -5.241389346e-01 3.88 -5.302166224e-01 3.90 -5.360594905e-01 3.92 -5.416710387e-01 3.94 -5.470547603e-01 3.96 -5.522141337e-01 3.98 -5.571526162e-01 4.00 -5.618736378e-01 4.02 -5.663805968e-01 4.04 -5.706768564e-01 4.06 -5.747657419e-01 4.08 -5.786505385e-01 4.10 -5.823344906e-01 4.12 -5.858208013e-01 4.14 -5.891126326e-01 4.16 -5.922131062e-01 4.18 -5.951253052e-01 4.20 -5.978522757e-01 4.22 -6.003970297e-01 4.24 -6.027625470e-01 4.26 -6.049517791e-01 4.28 -6.069676525e-01 4.30 -6.088130720e-01 4.32 -6.104909248e-01 4.34 -6.120040848e-01 4.36 -6.133554168e-01 4.38 -6.145477805e-01 4.40 -6.155840353e-01 4.42 -6.164670447e-01 4.44 -6.171996806e-01 4.46 -6.177848280e-01 4.48 -6.182253893e-01 4.50 -6.185242888e-01 4.52 -6.186844767e-01 4.54 -6.187089336e-01 4.56 -6.186006740e-01 4.58 -6.183627509e-01 4.60 -6.179982585e-01 4.62 -6.175103368e-01 4.64 -6.169021737e-01 4.66 -6.161770091e-01 4.68 -6.153381368e-01 4.70 -6.143889078e-01 4.72 -6.133327320e-01 4.74 -6.121730805e-01 4.76 -6.109134875e-01 4.78 -6.095575513e-01 4.80 -6.081089358e-01 4.82 -6.065713711e-01 4.84 -6.049486539e-01 4.86 -6.032444280e-01 4.88 -6.014618595e-01 4.90 -5.996040980e-01 4.92 -5.976743592e-01 4.94 -5.956759238e-01 4.96 -5.936121364e-01 4.98 -5.914864037e-01 5.00 -5.893021926e-01 5.02 -5.870647025e-01 5.04 -5.848041838e-01 5.06 -5.825283166e-01 5.08 -5.802334612e-01 5.10 -5.779154182e-01 5.12 -5.755694479e-01 5.14 -5.731902913e-01 5.16 -5.707721942e-01 5.18 -5.683089318e-01 5.20 -5.657938368e-01 5.22 -5.632198284e-01 5.24 -5.605794435e-01 5.26 -5.578648689e-01 5.28 -5.550679766e-01 5.30 -5.521803585e-01 5.32 -5.491933480e-01 5.34 -5.460979098e-01 5.36 -5.428847512e-01 5.38 -5.395444544e-01 5.40 -5.360675197e-01 5.42 -5.324444077e-01 5.44 -5.286655830e-01 5.46 -5.247215570e-01 5.48 -5.206029329e-01 5.50 -5.163004501e-01 5.52 -5.118050286e-01 5.54 -5.071078142e-01 5.56 -5.022002233e-01 5.58 -4.970739875e-01 5.60 -4.917211980e-01 5.62 -4.861343496e-01 5.64 -4.803063842e-01 5.66 -4.742307336e-01 5.68 -4.679013614e-01 5.70 -4.613128044e-01 5.72 -4.544602122e-01 5.74 -4.473393867e-01 5.76 -4.399468190e-01 5.78 -4.322771915e-01 5.80 -4.242957007e-01 5.82 -4.160104850e-01 5.84 -4.074456808e-01 5.86 -3.986254588e-01 5.88 -3.895739630e-01 5.90 -3.803152526e-01 5.92 -3.708732442e-01 5.94 -3.612712849e-01 5.96 -3.515309610e-01 5.98 -3.416731734e-01 6.00 -3.317184724e-01 6.02 -3.216870113e-01 6.04 -3.115985024e-01 6.06 -3.014721761e-01 6.08 -2.913267421e-01 6.10 -2.811803544e-01 6.12 -2.710505782e-01 6.14 -2.609543607e-01 6.16 -2.509080041e-01 6.18 -2.409271430e-01 6.20 -2.310267237e-01 6.22 -2.212209879e-01 6.24 -2.115234587e-01 6.26 -2.019469309e-01 6.28 -1.925034641e-01 6.30 -1.832043794e-01 6.32 -1.740602591e-01 6.34 -1.650809504e-01 6.36 -1.562755721e-01 6.38 -1.476525245e-01 6.40 -1.392195029e-01 6.42 -1.309835139e-01 6.44 -1.229514562e-01 6.46 -1.151329870e-01 6.48 -1.075384205e-01 6.50 -1.001774813e-01 6.52 -9.305933421e-02 6.54 -8.619261732e-02 6.56 -7.958547909e-02 6.58 -7.324561693e-02 6.60 -6.718031819e-02 6.62 -6.139650301e-02 6.64 -5.590076896e-02 6.66 -5.069943721e-02 6.68 -4.579859994e-02 6.70 -4.120416879e-02 6.72 -3.692000656e-02 6.74 -3.293958694e-02 6.76 -2.925304959e-02 6.78 -2.585073260e-02 6.80 -2.272318700e-02 6.82 -1.986116127e-02 6.84 -1.725413431e-02 6.86 -1.488937709e-02 6.88 -1.275415002e-02 6.90 -1.083591737e-02 6.92 -9.122336500e-03 6.94 -7.601245533e-03 6.96 -6.260649736e-03 6.98 -5.088707137e-03 7.00 -4.073713684e-03 7.02 -3.204088273e-03 7.04 -2.468357931e-03 7.06 -1.855143386e-03 7.08 -1.353145242e-03 7.10 -9.511309295e-04 7.12 -6.379225685e-04 7.14 -4.023858865e-04 7.16 -2.334202674e-04 7.18 -1.199500166e-04 7.20 -5.091689721e-05 7.22 -1.527397819e-05 7.24 -1.980821908e-06 7.26 -8.799982645e-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