# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2015--Wilson-S-R-Gunawardana-K-G-S-H-Mendelev-M-I--Na # implementation = 2015--Wilson-S-R--Na--LAMMPS--ipr1 # 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 Na Na 0.02 3.585786438e+13 0.04 1.085786438e+13 0.06 2.524531044e+12 0.08 -1.642135622e+12 0.10 -1.117665090e+12 0.12 6.951385351e+03 0.14 5.404207409e+03 0.16 4.305177930e+03 0.18 3.495052241e+03 0.20 2.880501586e+03 0.22 2.403537661e+03 0.24 2.026411711e+03 0.26 1.723596553e+03 0.28 1.477274182e+03 0.30 1.274671125e+03 0.32 1.106419739e+03 0.34 9.655146943e+02 0.36 8.466280558e+02 0.38 7.456476092e+02 0.40 6.593582786e+02 0.42 5.852176471e+02 0.44 5.211948109e+02 0.46 4.656527549e+02 0.48 4.172612024e+02 0.50 3.749311674e+02 0.52 3.377652061e+02 0.54 3.050191832e+02 0.56 2.760725936e+02 0.58 2.504053162e+02 0.60 2.275792523e+02 0.62 2.072237151e+02 0.64 1.890237188e+02 0.66 1.727105353e+02 0.68 1.580540308e+02 0.70 1.448564144e+02 0.72 1.329471110e+02 0.74 1.221785375e+02 0.76 1.124226052e+02 0.78 1.035678140e+02 0.80 9.551682558e+01 0.82 8.818443188e+01 0.84 8.149584581e+01 0.86 7.538525985e+01 0.88 6.979462580e+01 0.90 6.467261869e+01 0.92 5.997375439e+01 0.94 5.565763605e+01 0.96 5.168830862e+01 0.98 4.803370461e+01 1.00 4.466516685e+01 1.02 4.155535021e+01 1.04 3.868050351e+01 1.06 3.602109701e+01 1.08 3.355936182e+01 1.10 3.127911966e+01 1.12 2.916563022e+01 1.14 2.720545403e+01 1.16 2.538632931e+01 1.18 2.369706109e+01 1.20 2.212742158e+01 1.22 2.066806031e+01 1.24 1.931042327e+01 1.26 1.804667987e+01 1.28 1.686965715e+01 1.30 1.577278032e+01 1.32 1.475001897e+01 1.34 1.379583859e+01 1.36 1.290515650e+01 1.38 1.207330214e+01 1.40 1.129598100e+01 1.42 1.056924190e+01 1.44 9.889447384e+00 1.46 9.253246771e+00 1.48 8.657551745e+00 1.50 8.099514119e+00 1.52 7.576505642e+00 1.54 7.086099616e+00 1.56 6.626054156e+00 1.58 6.194296947e+00 1.60 5.788911342e+00 1.62 5.408123681e+00 1.64 5.050291728e+00 1.66 4.713894095e+00 1.68 4.397520597e+00 1.70 4.099863420e+00 1.72 3.819709047e+00 1.74 3.555930873e+00 1.76 3.307482431e+00 1.78 3.073391196e+00 1.80 2.852752899e+00 1.82 2.644726313e+00 1.84 2.448528463e+00 1.86 2.263430238e+00 1.88 2.088752348e+00 1.90 1.923861613e+00 1.92 1.768167554e+00 1.94 1.621119245e+00 1.96 1.482202426e+00 1.98 1.350936834e+00 2.00 1.226873754e+00 2.02 1.109593750e+00 2.04 9.987045799e-01 2.06 8.938392634e-01 2.08 7.946543067e-01 2.10 7.008280548e-01 2.12 6.120591724e-01 2.14 5.280652377e-01 2.16 4.485814417e-01 2.18 3.733593839e-01 2.20 3.021659573e-01 2.22 2.347823150e-01 2.24 1.710029128e-01 2.26 1.106346214e-01 2.28 5.349590176e-02 2.30 -5.839597490e-04 2.32 -5.176556228e-02 2.34 -1.002000492e-01 2.36 -1.460297212e-01 2.38 -1.893886079e-01 2.40 -2.304029991e-01 2.42 -2.691919366e-01 2.44 -3.058676732e-01 2.46 -3.405361043e-01 2.48 -3.732971662e-01 2.50 -4.042452037e-01 2.52 -4.334693218e-01 2.54 -4.610537104e-01 2.56 -4.870779397e-01 2.58 -5.116172479e-01 2.60 -5.347428065e-01 2.62 -5.565219575e-01 2.64 -5.770184530e-01 2.66 -5.962926681e-01 2.68 -6.144017946e-01 2.70 -6.314000440e-01 2.72 -6.473388087e-01 2.74 -6.622668362e-01 2.76 -6.762303855e-01 2.78 -6.892733591e-01 2.80 -7.014374608e-01 2.82 -7.127622964e-01 2.84 -7.232855202e-01 2.86 -7.330429239e-01 2.88 -7.420685593e-01 2.90 -7.503948265e-01 2.92 -7.580525704e-01 2.94 -7.650711702e-01 2.96 -7.714786142e-01 2.98 -7.773015872e-01 3.00 -7.825655442e-01 3.02 -7.871068201e-01 3.04 -7.908286090e-01 3.06 -7.938414755e-01 3.08 -7.962389949e-01 3.10 -7.980998794e-01 3.12 -7.994899630e-01 3.14 -8.004639263e-01 3.16 -8.010669573e-01 3.18 -8.013361067e-01 3.20 -8.013016499e-01 3.22 -8.009881537e-01 3.24 -8.004155263e-01 3.26 -7.995998948e-01 3.28 -7.985543297e-01 3.30 -7.972895918e-01 3.32 -7.958145974e-01 3.34 -7.941369759e-01 3.36 -7.922634502e-01 3.38 -7.902001035e-01 3.40 -7.879527485e-01 3.42 -7.855270266e-01 3.44 -7.829285919e-01 3.46 -7.801632813e-01 3.48 -7.772370509e-01 3.50 -7.741561046e-01 3.52 -7.709269193e-01 3.54 -7.675560932e-01 3.56 -7.640504320e-01 3.58 -7.604169044e-01 3.60 -7.566624362e-01 3.62 -7.527939738e-01 3.64 -7.488184362e-01 3.66 -7.447424858e-01 3.68 -7.405725630e-01 3.70 -7.363148932e-01 3.72 -7.319752934e-01 3.74 -7.275591200e-01 3.76 -7.230713762e-01 3.78 -7.185166384e-01 3.80 -7.138988700e-01 3.82 -7.092216053e-01 3.84 -7.044880000e-01 3.86 -6.997007408e-01 3.88 -6.948619912e-01 3.90 -6.899736582e-01 3.92 -6.850374435e-01 3.94 -6.800547634e-01 3.96 -6.750267760e-01 3.98 -6.699546868e-01 4.00 -6.648398135e-01 4.02 -6.596835593e-01 4.04 -6.544873336e-01 4.06 -6.492529302e-01 4.08 -6.439825700e-01 4.10 -6.386789247e-01 4.12 -6.333448640e-01 4.14 -6.279836902e-01 4.16 -6.225992418e-01 4.18 -6.171958053e-01 4.20 -6.117779640e-01 4.22 -6.063501251e-01 4.24 -6.009167344e-01 4.26 -5.954820571e-01 4.28 -5.900498319e-01 4.30 -5.846228618e-01 4.32 -5.792022370e-01 4.34 -5.737882241e-01 4.36 -5.683812813e-01 4.38 -5.629820436e-01 4.40 -5.575913043e-01 4.42 -5.522099142e-01 4.44 -5.468382544e-01 4.46 -5.414769851e-01 4.48 -5.361269722e-01 4.50 -5.307892069e-01 4.52 -5.254647902e-01 4.54 -5.201549132e-01 4.56 -5.148602053e-01 4.58 -5.095812188e-01 4.60 -5.043189142e-01 4.62 -4.990743475e-01 4.64 -4.938486563e-01 4.66 -4.886430468e-01 4.68 -4.834587817e-01 4.70 -4.782964845e-01 4.72 -4.731562235e-01 4.74 -4.680389041e-01 4.76 -4.629455093e-01 4.78 -4.578770823e-01 4.80 -4.528347145e-01 4.82 -4.478195356e-01 4.84 -4.428327040e-01 4.86 -4.378747610e-01 4.88 -4.329445405e-01 4.90 -4.280426811e-01 4.92 -4.231700431e-01 4.94 -4.183275282e-01 4.96 -4.135160703e-01 4.98 -4.087366268e-01 5.00 -4.039901705e-01 5.02 -3.992776829e-01 5.04 -3.946001473e-01 5.06 -3.899554978e-01 5.08 -3.853407126e-01 5.10 -3.807569173e-01 5.12 -3.762052493e-01 5.14 -3.716868308e-01 5.16 -3.672027640e-01 5.18 -3.627541272e-01 5.20 -3.583419714e-01 5.22 -3.539673169e-01 5.24 -3.496311510e-01 5.26 -3.453344255e-01 5.28 -3.410780549e-01 5.30 -3.368290781e-01 5.32 -3.325594957e-01 5.34 -3.282860255e-01 5.36 -3.240238085e-01 5.38 -3.197864523e-01 5.40 -3.155861386e-01 5.42 -3.114337247e-01 5.44 -3.073388391e-01 5.46 -3.033099714e-01 5.48 -2.993545568e-01 5.50 -2.954790561e-01 5.52 -2.916890308e-01 5.54 -2.879892128e-01 5.56 -2.843835713e-01 5.58 -2.808753746e-01 5.60 -2.774685622e-01 5.62 -2.742143383e-01 5.64 -2.711079896e-01 5.66 -2.681116015e-01 5.68 -2.651915437e-01 5.70 -2.623181361e-01 5.72 -2.594653348e-01 5.74 -2.566104384e-01 5.76 -2.537338135e-01 5.78 -2.508186377e-01 5.80 -2.478506598e-01 5.82 -2.448179757e-01 5.84 -2.417108195e-01 5.86 -2.385213687e-01 5.88 -2.352435628e-01 5.90 -2.318729345e-01 5.92 -2.284064526e-01 5.94 -2.248423764e-01 5.96 -2.211801202e-01 5.98 -2.174201280e-01 6.00 -2.135637571e-01 6.02 -2.096131711e-01 6.04 -2.055712401e-01 6.06 -2.014414496e-01 6.08 -1.972278156e-01 6.10 -1.929230350e-01 6.12 -1.885254278e-01 6.14 -1.840560969e-01 6.16 -1.795343781e-01 6.18 -1.749778020e-01 6.20 -1.704022279e-01 6.22 -1.658219682e-01 6.24 -1.612499060e-01 6.26 -1.566976031e-01 6.28 -1.521754025e-01 6.30 -1.476925225e-01 6.32 -1.432571451e-01 6.34 -1.388764987e-01 6.36 -1.345569339e-01 6.38 -1.303039954e-01 6.40 -1.261224876e-01 6.42 -1.220165361e-01 6.44 -1.179896453e-01 6.46 -1.140447505e-01 6.48 -1.101842676e-01 6.50 -1.064101385e-01 6.52 -1.027238728e-01 6.54 -9.912658705e-02 6.56 -9.561904090e-02 6.58 -9.220167013e-02 6.60 -8.887461753e-02 6.62 -8.563776133e-02 6.64 -8.249074139e-02 6.66 -7.943298341e-02 6.68 -7.646372122e-02 6.70 -7.358201741e-02 6.72 -7.078678229e-02 6.74 -6.807679141e-02 6.76 -6.545070175e-02 6.78 -6.290706667e-02 6.80 -6.044434967e-02 6.82 -5.806093723e-02 6.84 -5.575515065e-02 6.86 -5.352525705e-02 6.88 -5.136947968e-02 6.90 -4.928600744e-02 6.92 -4.727300399e-02 6.94 -4.532861611e-02 6.96 -4.345098182e-02 6.98 -4.163823797e-02 7.00 -3.988852753e-02 7.02 -3.820000668e-02 7.04 -3.657085163e-02 7.06 -3.499926525e-02 7.08 -3.348348365e-02 7.10 -3.202178267e-02 7.12 -3.061248437e-02 7.14 -2.925396352e-02 7.16 -2.794465414e-02 7.18 -2.668305622e-02 7.20 -2.546774250e-02 7.22 -2.429736547e-02 7.24 -2.317066459e-02 7.26 -2.208647371e-02 7.28 -2.104372883e-02 7.30 -2.004147613e-02 7.32 -1.907887061e-02 7.34 -1.815507889e-02 7.36 -1.726918644e-02 7.38 -1.642020338e-02 7.40 -1.560707904e-02 7.42 -1.482871512e-02 7.44 -1.408397782e-02 7.46 -1.337170880e-02 7.48 -1.269073508e-02 7.50 -1.203987802e-02 7.52 -1.141796126e-02 7.54 -1.082381787e-02 7.56 -1.025629657e-02 7.58 -9.714267280e-03 7.60 -9.196625796e-03 7.62 -8.702297886e-03 7.64 -8.230242667e-03 7.66 -7.779455415e-03 7.68 -7.348969785e-03 7.70 -6.937859529e-03 7.72 -6.545239715e-03 7.74 -6.170267508e-03 7.76 -5.812142537e-03 7.78 -5.470106894e-03 7.80 -5.143444783e-03 7.82 -4.831481870e-03 7.84 -4.533584355e-03 7.86 -4.249157799e-03 7.88 -3.977645731e-03 7.90 -3.718528076e-03 7.92 -3.471319412e-03 7.94 -3.235567101e-03 7.96 -3.010849302e-03 7.98 -2.796772905e-03 8.00 -2.592971395e-03 8.02 -2.399102674e-03 8.04 -2.214846862e-03 8.06 -2.039904094e-03 8.08 -1.873992329e-03 8.10 -1.716845197e-03 8.12 -1.568209884e-03 8.14 -1.427845086e-03 8.16 -1.295519038e-03 8.18 -1.171007629e-03 8.20 -1.054092621e-03 8.22 -9.445599723e-04 8.24 -8.421982897e-04 8.26 -7.467974017e-04 8.28 -6.581470721e-04 8.30 -5.760358543e-04 8.32 -5.002500935e-04 8.34 -4.305730804e-04 8.36 -3.667843603e-04 8.38 -3.086591988e-04 8.40 -2.559682061e-04 8.42 -2.084771186e-04 8.44 -1.659467386e-04 8.46 -1.281330281e-04 8.48 -9.478735471e-05 8.50 -6.565688556e-05 8.52 -4.048512315e-05 8.54 -1.901257759e-05 8.56 -9.775675895e-07 8.58 1.388285809e-05 8.60 2.583188818e-05 8.62 3.513181588e-05 8.64 4.204281687e-05 8.66 4.682165080e-05 8.68 4.972029997e-05 8.70 5.098455983e-05 8.72 5.085259706e-05 8.74 4.955349188e-05 8.76 4.730578261e-05 8.78 4.431603108e-05 8.80 4.077742908e-05 8.82 3.686846662e-05 8.84 3.275168412e-05 8.86 2.857253155e-05 8.88 2.445835872e-05 8.90 2.051756179e-05 8.92 1.683891233e-05 8.94 1.349109617e-05 8.96 1.052249034e-05 8.98 7.961207631e-06 9.00 5.815438984e-06 9.02 4.074401323e-06 9.04 2.712391710e-06 9.06 1.693179232e-06 9.08 9.720377590e-07 9.10 4.979681360e-07 9.12 2.164241768e-07 9.14 7.258031839e-08 9.16 1.517982670e-08 9.18 1.003516070e-09 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