# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2016--Nichol-A-Ackland-G-J--K # implementation = 2016--Nichol-A--K--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 K K 0.02 2.158444009e+05 0.04 9.155040004e+04 0.06 5.262023086e+04 0.08 3.444048812e+04 0.10 2.426450942e+04 0.12 1.793147716e+04 0.14 1.370403688e+04 0.16 1.073826742e+04 0.18 8.579184113e+03 0.20 6.961859587e+03 0.22 5.722591210e+03 0.24 4.755337112e+03 0.26 3.988728663e+03 0.28 3.373198028e+03 0.30 2.873404897e+03 0.32 2.463590791e+03 0.34 2.124625490e+03 0.36 1.842070411e+03 0.38 1.604874311e+03 0.40 1.404474094e+03 0.42 1.234162073e+03 0.44 1.088632653e+03 0.46 9.636523315e+02 0.48 8.558160719e+02 0.50 7.623651410e+02 0.52 6.810493676e+02 0.54 6.100219154e+02 0.56 5.477581492e+02 0.58 4.929925466e+02 0.60 4.446692607e+02 0.62 4.019031022e+02 0.64 3.639485414e+02 0.66 3.301749283e+02 0.68 3.000465705e+02 0.70 2.731066286e+02 0.72 2.489640318e+02 0.74 2.272827960e+02 0.76 2.077732622e+02 0.78 1.901848798e+02 0.80 1.743002363e+02 0.82 1.599300996e+02 0.84 1.469092840e+02 0.86 1.350931910e+02 0.88 1.243549044e+02 0.90 1.145827419e+02 0.92 1.056781857e+02 0.94 9.755412562e+01 0.96 9.013336563e+01 0.98 8.334734801e+01 1.00 7.713506163e+01 1.02 7.144210448e+01 1.04 6.621987662e+01 1.06 6.142488342e+01 1.08 5.701813253e+01 1.10 5.296461055e+01 1.12 4.923282778e+01 1.14 4.579442123e+01 1.16 4.262380766e+01 1.18 3.969787960e+01 1.20 3.699573846e+01 1.22 3.449845982e+01 1.24 3.218888636e+01 1.26 3.005144509e+01 1.28 2.807198551e+01 1.30 2.623763612e+01 1.32 2.453667703e+01 1.34 2.295842655e+01 1.36 2.149314015e+01 1.38 2.013192028e+01 1.40 1.886663571e+01 1.42 1.768984936e+01 1.44 1.659475357e+01 1.46 1.557511203e+01 1.48 1.462520749e+01 1.50 1.373979479e+01 1.52 1.291405848e+01 1.54 1.214357461e+01 1.56 1.142427619e+01 1.58 1.075242200e+01 1.60 1.012456830e+01 1.62 9.537543297e+00 1.64 8.988423859e+00 1.66 8.474514500e+00 1.68 7.993328219e+00 1.70 7.542569093e+00 1.72 7.120116442e+00 1.74 6.724010404e+00 1.76 6.352438786e+00 1.78 6.003725070e+00 1.80 5.676317469e+00 1.82 5.368778926e+00 1.84 5.079777978e+00 1.86 4.808080395e+00 1.88 4.552541531e+00 1.90 4.312099318e+00 1.92 4.085767848e+00 1.94 3.872631489e+00 1.96 3.671839482e+00 1.98 3.482600991e+00 2.00 3.304180550e+00 2.02 3.135893879e+00 2.04 2.977104046e+00 2.06 2.827217928e+00 2.08 2.685682957e+00 2.10 2.551984128e+00 2.12 2.425641239e+00 2.14 2.306206346e+00 2.16 2.193261423e+00 2.18 2.086416201e+00 2.20 1.985306168e+00 2.22 1.889590733e+00 2.24 1.798951523e+00 2.26 1.713090811e+00 2.28 1.631730066e+00 2.30 1.554608609e+00 2.32 1.481482370e+00 2.34 1.412122739e+00 2.36 1.346315501e+00 2.38 1.283859853e+00 2.40 1.224567485e+00 2.42 1.168261739e+00 2.44 1.114776822e+00 2.46 1.063957075e+00 2.48 1.015656304e+00 2.50 9.697371475e-01 2.52 9.261396306e-01 2.54 8.848019324e-01 2.56 8.455962852e-01 2.58 8.084026599e-01 2.60 7.731082682e-01 2.62 7.396071012e-01 2.64 7.077994978e-01 2.66 6.775917426e-01 2.68 6.488956903e-01 2.70 6.216284153e-01 2.72 5.957118836e-01 2.74 5.710726475e-01 2.76 5.476415598e-01 2.78 5.253535062e-01 2.80 5.041471563e-01 2.82 4.839647295e-01 2.84 4.647517777e-01 2.86 4.464569804e-01 2.88 4.290319539e-01 2.90 4.124310730e-01 2.92 3.966113034e-01 2.94 3.815320451e-01 2.96 3.671549864e-01 2.98 3.534439660e-01 3.00 3.403648446e-01 3.02 3.278853847e-01 3.04 3.159751374e-01 3.06 3.046053368e-01 3.08 2.937488007e-01 3.10 2.833798375e-01 3.12 2.734741592e-01 3.14 2.640087993e-01 3.16 2.549620362e-01 3.18 2.463133211e-01 3.20 1.988205639e-01 3.22 1.447403313e-01 3.24 9.100496789e-02 3.26 3.831330918e-02 3.28 -1.272990097e-02 3.30 -6.160714162e-02 3.32 -1.078815716e-01 3.34 -1.511908023e-01 3.36 -1.912409754e-01 3.38 -2.278011379e-01 3.40 -2.606979015e-01 3.42 -2.898621809e-01 3.44 -3.157910881e-01 3.46 -3.389529267e-01 3.48 -3.597153334e-01 3.50 -3.784068495e-01 3.52 -3.953198954e-01 3.54 -4.107135868e-01 3.56 -4.248163974e-01 3.58 -4.378286743e-01 3.60 -4.499250113e-01 3.62 -4.612564857e-01 3.64 -4.719527629e-01 3.66 -4.821240759e-01 3.68 -4.918630819e-01 3.70 -5.012466034e-01 3.72 -5.103372574e-01 3.74 -5.191849769e-01 3.76 -5.278246577e-01 3.78 -5.361863669e-01 3.80 -5.442316115e-01 3.82 -5.519597138e-01 3.84 -5.593710545e-01 3.86 -5.664669426e-01 3.88 -5.732494944e-01 3.90 -5.797215226e-01 3.92 -5.858864336e-01 3.94 -5.917481349e-01 3.96 -5.973109490e-01 3.98 -6.025795365e-01 4.00 -6.075588253e-01 4.02 -6.122539481e-01 4.04 -6.166701850e-01 4.06 -6.208129137e-01 4.08 -6.246875642e-01 4.10 -6.282995805e-01 4.12 -6.316543856e-01 4.14 -6.347573530e-01 4.16 -6.376137819e-01 4.18 -6.402288761e-01 4.20 -6.426077284e-01 4.22 -6.447476722e-01 4.24 -6.466470368e-01 4.26 -6.483122555e-01 4.28 -6.497496808e-01 4.30 -6.509655799e-01 4.32 -6.519661326e-01 4.34 -6.527574321e-01 4.36 -6.533454874e-01 4.38 -6.537362273e-01 4.40 -6.539355061e-01 4.42 -6.539491110e-01 4.44 -6.537827703e-01 4.46 -6.534421621e-01 4.48 -6.529329252e-01 4.50 -6.522606693e-01 4.52 -6.514309864e-01 4.54 -6.504494622e-01 4.56 -6.493216883e-01 4.58 -6.480532735e-01 4.60 -6.466498565e-01 4.62 -6.451171127e-01 4.64 -6.434604363e-01 4.66 -6.416847041e-01 4.68 -6.397948098e-01 4.70 -6.377957316e-01 4.72 -6.356925423e-01 4.74 -6.334904182e-01 4.76 -6.311946470e-01 4.78 -6.288106357e-01 4.80 -6.263439172e-01 4.82 -6.238001559e-01 4.84 -6.211851528e-01 4.86 -6.185048493e-01 4.88 -6.157653302e-01 4.90 -6.129728261e-01 4.92 -6.101337137e-01 4.94 -6.072545165e-01 4.96 -6.043419035e-01 4.98 -6.014026872e-01 5.00 -5.984438205e-01 5.02 -5.954723931e-01 5.04 -5.924956260e-01 5.06 -5.895479795e-01 5.08 -5.866573950e-01 5.10 -5.838134970e-01 5.12 -5.810033388e-01 5.14 -5.782127961e-01 5.16 -5.754266256e-01 5.18 -5.726285304e-01 5.20 -5.698012320e-01 5.22 -5.669265477e-01 5.24 -5.639854749e-01 5.26 -5.609582804e-01 5.28 -5.578245942e-01 5.30 -5.545635093e-01 5.32 -5.511536843e-01 5.34 -5.475734508e-01 5.36 -5.438009238e-01 5.38 -5.398141148e-01 5.40 -5.355910477e-01 5.42 -5.311098763e-01 5.44 -5.263490037e-01 5.46 -5.212872020e-01 5.48 -5.159037329e-01 5.50 -5.101784683e-01 5.52 -5.040920101e-01 5.54 -4.976258090e-01 5.56 -4.907622818e-01 5.58 -4.834849266e-01 5.60 -4.757784354e-01 5.62 -4.676288035e-01 5.64 -4.590234356e-01 5.66 -4.499515171e-01 5.68 -4.403902863e-01 5.70 -4.303049232e-01 5.72 -4.197359067e-01 5.74 -4.087287330e-01 5.76 -3.973288525e-01 5.78 -3.855815119e-01 5.80 -3.735316022e-01 5.82 -3.612235127e-01 5.84 -3.487009924e-01 5.86 -3.360070190e-01 5.88 -3.231836750e-01 5.90 -3.102720335e-01 5.92 -2.973120520e-01 5.94 -2.843424759e-01 5.96 -2.714007512e-01 5.98 -2.585229484e-01 6.00 -2.457436948e-01 6.02 -2.330961194e-01 6.04 -2.206118068e-01 6.06 -2.083207633e-01 6.08 -1.962513932e-01 6.10 -1.844304867e-01 6.12 -1.728832185e-01 6.14 -1.616330896e-01 6.16 -1.507011424e-01 6.18 -1.401062606e-01 6.20 -1.298658055e-01 6.22 -1.199956801e-01 6.24 -1.105103922e-01 6.26 -1.014231268e-01 6.28 -9.274582758e-02 6.30 -8.448928693e-02 6.32 -7.666324467e-02 6.34 -6.927649353e-02 6.36 -6.233699168e-02 6.38 -5.585198108e-02 6.40 -4.982797025e-02 6.42 -4.426174405e-02 6.44 -3.913510525e-02 6.46 -3.442871391e-02 6.48 -3.012350840e-02 6.50 -2.620075300e-02 6.52 -2.264180075e-02 6.54 -1.942727908e-02 6.56 -1.653791508e-02 6.58 -1.395481407e-02 6.60 -1.165944851e-02 6.62 -9.633640721e-03 6.64 -7.859540806e-03 6.66 -6.319601144e-03 6.68 -4.996548523e-03 6.70 -3.873354938e-03 6.72 -2.933207917e-03 6.74 -2.159481115e-03 6.76 -1.535705827e-03 6.78 -1.045543925e-03 6.80 -6.727626857e-04 6.82 -4.012118501e-04 6.84 -2.148031936e-04 6.86 -9.749282427e-05 6.88 -3.326636303e-05 6.90 -6.127114020e-06 6.92 -8.729361961e-08 6.94 0.000000000e+00 6.96 0.000000000e+00 6.98 0.000000000e+00 7.00 0.000000000e+00 7.02 0.000000000e+00 7.04 0.000000000e+00 7.06 0.000000000e+00 7.08 0.000000000e+00 7.10 0.000000000e+00 7.12 0.000000000e+00 7.14 0.000000000e+00 7.16 0.000000000e+00 7.18 0.000000000e+00 7.20 0.000000000e+00 7.22 0.000000000e+00 7.24 0.000000000e+00 7.26 0.000000000e+00 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