# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 1958--Bernardes-N--Ne # implementation = LJ_Shifted_Bernardes_1958HighCutoff_Ne__MO_966254629593_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 7.851860169e+03 0.92 6.030478216e+03 0.94 4.657851023e+03 0.96 3.617175179e+03 0.98 2.823614633e+03 1.00 2.215138620e+03 1.02 1.746099706e+03 1.04 1.382699499e+03 1.06 1.099764665e+03 1.08 8.784391399e+02 1.10 7.045214496e+02 1.12 5.672593498e+02 1.14 4.584707420e+02 1.16 3.718988460e+02 1.18 3.027365671e+02 1.20 2.472737764e+02 1.22 2.026343854e+02 1.24 1.665793726e+02 1.26 1.373585038e+02 1.28 1.135981870e+02 1.30 9.421627148e+01 1.32 7.835703396e+01 1.34 6.534135781e+01 1.36 5.462839831e+01 1.38 4.578596803e+01 1.40 3.846757026e+01 1.42 3.239452142e+01 1.44 2.734198403e+01 1.46 2.312801625e+01 1.48 1.960495711e+01 1.50 1.665262641e+01 1.52 1.417293979e+01 1.54 1.208563089e+01 1.56 1.032484256e+01 1.58 8.836402523e+00 1.60 7.575639625e+00 1.62 6.505628479e+00 1.64 5.595774593e+00 1.66 4.820670822e+00 1.68 4.159170715e+00 1.70 3.593635688e+00 1.72 3.109321886e+00 1.74 2.693879606e+00 1.76 2.336943639e+00 1.78 2.029797233e+00 1.80 1.765095840e+00 1.82 1.536639491e+00 1.84 1.339184836e+00 1.86 1.168289621e+00 1.88 1.020183720e+00 1.90 8.916619907e-01 1.92 7.799950686e-01 1.94 6.828549646e-01 1.96 5.982528862e-01 1.98 5.244871802e-01 2.00 4.600996694e-01 2.02 4.038389663e-01 2.04 3.546295941e-01 2.06 3.115459525e-01 2.08 2.737903318e-01 2.10 2.406743150e-01 2.12 2.116030210e-01 2.14 1.860617343e-01 2.16 1.636045421e-01 2.18 1.438446630e-01 2.20 1.264462034e-01 2.22 1.111171208e-01 2.24 9.760320862e-02 2.26 8.568294745e-02 2.28 7.516309175e-02 2.30 6.587488193e-02 2.32 5.767078894e-02 2.34 5.042171311e-02 2.36 4.401457055e-02 2.38 3.835021124e-02 2.40 3.334162080e-02 2.42 2.891236562e-02 2.44 2.499524679e-02 2.46 2.153113346e-02 2.48 1.846795066e-02 2.50 1.575980001e-02 2.52 1.336619527e-02 2.54 1.125139685e-02 2.56 9.383831929e-03 2.58 7.735588731e-03 2.60 6.281974928e-03 2.62 5.001131726e-03 2.64 3.873696282e-03 2.66 2.882506109e-03 2.68 2.012340027e-03 2.70 1.249690927e-03 2.72 5.825662621e-04 2.74 3.127477631e-07 2.76 -5.065378168e-04 2.78 -9.464042477e-04 2.80 -1.326775515e-03 2.82 -1.654316128e-03 2.84 -1.934959113e-03 2.86 -2.173988111e-03 2.88 -2.376109916e-03 2.90 -2.545518620e-03 2.92 -2.685952373e-03 2.94 -2.800743644e-03 2.96 -2.892863752e-03 2.98 -2.964962363e-03 3.00 -3.019402517e-03 3.02 -3.058291743e-03 3.04 -3.083509685e-03 3.06 -3.096732671e-03 3.08 -3.099455555e-03 3.10 -3.093011160e-03 3.12 -3.078587591e-03 3.14 -3.057243654e-03 3.16 -3.029922601e-03 3.18 -2.997464392e-03 3.20 -2.960616630e-03 3.22 -2.920044323e-03 3.24 -2.876338602e-03 3.26 -2.830024515e-03 3.28 -2.781567980e-03 3.30 -2.731382018e-03 3.32 -2.679832318e-03 3.34 -2.627242218e-03 3.36 -2.573897164e-03 3.38 -2.520048706e-03 3.40 -2.465918072e-03 3.42 -2.411699374e-03 3.44 -2.357562477e-03 3.46 -2.303655571e-03 3.48 -2.250107486e-03 3.50 -2.197029751e-03 3.52 -2.144518457e-03 3.54 -2.092655918e-03 3.56 -2.041512166e-03 3.58 -1.991146287e-03 3.60 -1.941607628e-03 3.62 -1.892936869e-03 3.64 -1.845166996e-03 3.66 -1.798324167e-03 3.68 -1.752428490e-03 3.70 -1.707494720e-03 3.72 -1.663532890e-03 3.74 -1.620548867e-03 3.76 -1.578544860e-03 3.78 -1.537519868e-03 3.80 -1.497470088e-03 3.82 -1.458389270e-03 3.84 -1.420269050e-03 3.86 -1.383099231e-03 3.88 -1.346868050e-03 3.90 -1.311562403e-03 3.92 -1.277168055e-03 3.94 -1.243669822e-03 3.96 -1.211051738e-03 3.98 -1.179297200e-03 4.00 -1.148389095e-03 4.02 -1.118309918e-03 4.04 -1.089041875e-03 4.06 -1.060566971e-03 4.08 -1.032867089e-03 4.10 -1.005924062e-03 4.12 -9.797197362e-04 4.14 -9.542360197e-04 4.16 -9.294549341e-04 4.18 -9.053586534e-04 4.20 -8.819295397e-04 4.22 -8.591501735e-04 4.24 -8.370033798e-04 4.26 -8.154722498e-04 4.28 -7.945401593e-04 4.30 -7.741907845e-04 4.32 -7.544081139e-04 4.34 -7.351764583e-04 4.36 -7.164804591e-04 4.38 -6.983050931e-04 4.40 -6.806356776e-04 4.42 -6.634578721e-04 4.44 -6.467576795e-04 4.46 -6.305214464e-04 4.48 -6.147358616e-04 4.50 -5.993879543e-04 4.52 -5.844650908e-04 4.54 -5.699549717e-04 4.56 -5.558456271e-04 4.58 -5.421254122e-04 4.60 -5.287830022e-04 4.62 -5.158073871e-04 4.64 -5.031878655e-04 4.66 -4.909140391e-04 4.68 -4.789758061e-04 4.70 -4.673633553e-04 4.72 -4.560671592e-04 4.74 -4.450779677e-04 4.76 -4.343868017e-04 4.78 -4.239849461e-04 4.80 -4.138639435e-04 4.82 -4.040155876e-04 4.84 -3.944319164e-04 4.86 -3.851052059e-04 4.88 -3.760279640e-04 4.90 -3.671929233e-04 4.92 -3.585930358e-04 4.94 -3.502214660e-04 4.96 -3.420715854e-04 4.98 -3.341369663e-04 5.00 -3.264113758e-04 5.02 -3.188887704e-04 5.04 -3.115632906e-04 5.06 -3.044292546e-04 5.08 -2.974811541e-04 5.10 -2.907136483e-04 5.12 -2.841215589e-04 5.14 -2.776998655e-04 5.16 -2.714437008e-04 5.18 -2.653483454e-04 5.20 -2.594092237e-04 5.22 -2.536218994e-04 5.24 -2.479820711e-04 5.26 -2.424855680e-04 5.28 -2.371283462e-04 5.30 -2.319064843e-04 5.32 -2.268161799e-04 5.34 -2.218537458e-04 5.36 -2.170156062e-04 5.38 -2.122982934e-04 5.40 -2.076984445e-04 5.42 -2.032127978e-04 5.44 -1.988381898e-04 5.46 -1.945715521e-04 5.48 -1.904099085e-04 5.50 -1.863503717e-04 5.52 -1.823901410e-04 5.54 -1.785264992e-04 5.56 -1.747568103e-04 5.58 -1.710785166e-04 5.60 -1.674891364e-04 5.62 -1.639862616e-04 5.64 -1.605675554e-04 5.66 -1.572307501e-04 5.68 -1.539736446e-04 5.70 -1.507941030e-04 5.72 -1.476900516e-04 5.74 -1.446594780e-04 5.76 -1.417004282e-04 5.78 -1.388110055e-04 5.80 -1.359893683e-04 5.82 -1.332337287e-04 5.84 -1.305423504e-04 5.86 -1.279135474e-04 5.88 -1.253456825e-04 5.90 -1.228371655e-04 5.92 -1.203864521e-04 5.94 -1.179920419e-04 5.96 -1.156524779e-04 5.98 -1.133663442e-04 6.00 -1.111322657e-04 6.02 -1.089489059e-04 6.04 -1.068149665e-04 6.06 -1.047291858e-04 6.08 -1.026903376e-04 6.10 -1.006972303e-04 6.12 -9.874870573e-05 6.14 -9.684363815e-05 6.16 -9.498093324e-05 6.18 -9.315952718e-05 6.20 -9.137838573e-05 6.22 -8.963650331e-05 6.24 -8.793290217e-05 6.26 -8.626663151e-05 6.28 -8.463676673e-05 6.30 -8.304240858e-05 6.32 -8.148268247e-05 6.34 -7.995673766e-05 6.36 -7.846374662e-05 6.38 -7.700290431e-05 6.40 -7.557342749e-05 6.42 -7.417455412e-05 6.44 -7.280554272e-05 6.46 -7.146567175e-05 6.48 -7.015423902e-05 6.50 -6.887056117e-05 6.52 -6.761397305e-05 6.54 -6.638382725e-05 6.56 -6.517949355e-05 6.58 -6.400035843e-05 6.60 -6.284582459e-05 6.62 -6.171531047e-05 6.64 -6.060824980e-05 6.66 -5.952409116e-05 6.68 -5.846229758e-05 6.70 -5.742234608e-05 6.72 -5.640372728e-05 6.74 -5.540594506e-05 6.76 -5.442851612e-05 6.78 -5.347096965e-05 6.80 -5.253284698e-05 6.82 -5.161370120e-05 6.84 -5.071309689e-05 6.86 -4.983060973e-05 6.88 -4.896582625e-05 6.90 -4.811834347e-05 6.92 -4.728776866e-05 6.94 -4.647371900e-05 6.96 -4.567582136e-05 6.98 -4.489371199e-05 7.00 -4.412703628e-05 7.02 -4.337544850e-05 7.04 -4.263861156e-05 7.06 -4.191619677e-05 7.08 -4.120788362e-05 7.10 -4.051335954e-05 7.12 -3.983231969e-05 7.14 -3.916446675e-05 7.16 -3.850951073e-05 7.18 -3.786716874e-05 7.20 -3.723716484e-05 7.22 -3.661922980e-05 7.24 -3.601310097e-05 7.26 -3.541852209e-05 7.28 -3.483524308e-05 7.30 -3.426301994e-05 7.32 -3.370161455e-05 7.34 -3.315079449e-05 7.36 -3.261033295e-05 7.38 -3.208000855e-05 7.40 -3.155960517e-05 7.42 -3.104891185e-05 7.44 -3.054772267e-05 7.46 -3.005583654e-05 7.48 -2.957305717e-05 7.50 -2.909919288e-05 7.52 -2.863405649e-05 7.54 -2.817746524e-05 7.56 -2.772924062e-05 7.58 -2.728920831e-05 7.60 -2.685719804e-05 7.62 -2.643304350e-05 7.64 -2.601658224e-05 7.66 -2.560765555e-05 7.68 -2.520610841e-05 7.70 -2.481178934e-05 7.72 -2.442455036e-05 7.74 -2.404424686e-05 7.76 -2.367073754e-05 7.78 -2.330388433e-05 7.80 -2.294355229e-05 7.82 -2.258960954e-05 7.84 -2.224192719e-05 7.86 -2.190037926e-05 7.88 -2.156484259e-05 7.90 -2.123519681e-05 7.92 -2.091132423e-05 7.94 -2.059310981e-05 7.96 -2.028044106e-05 7.98 -1.997320799e-05 8.00 -1.967130307e-05 8.02 -1.937462113e-05 8.04 -1.908305934e-05 8.06 -1.879651713e-05 8.08 -1.851489615e-05 8.10 -1.823810018e-05 8.12 -1.796603515e-05 8.14 -1.769860900e-05 8.16 -1.743573170e-05 8.18 -1.717731518e-05 8.20 -1.692327326e-05 8.22 -1.667352164e-05 8.24 -1.642797784e-05 8.26 -1.618656115e-05 8.28 -1.594919258e-05 8.30 -1.571579487e-05 8.32 -1.548629237e-05 8.34 -1.526061107e-05 8.36 -1.503867853e-05 8.38 -1.482042385e-05 8.40 -1.460577762e-05 8.42 -1.439467192e-05 8.44 -1.418704023e-05 8.46 -1.398281747e-05 8.48 -1.378193989e-05 8.50 -1.358434509e-05 8.52 -1.338997198e-05 8.54 -1.319876074e-05 8.56 -1.301065279e-05 8.58 -1.282559077e-05 8.60 -1.264351851e-05 8.62 -1.246438098e-05 8.64 -1.228812433e-05 8.66 -1.211469577e-05 8.68 -1.194404362e-05 8.70 -1.177611726e-05 8.72 -1.161086708e-05 8.74 -1.144824452e-05 8.76 -1.128820197e-05 8.78 -1.113069281e-05 8.80 -1.097567135e-05 8.82 -1.082309284e-05 8.84 -1.067291342e-05 8.86 -1.052509012e-05 8.88 -1.037958083e-05 8.90 -1.023634427e-05 8.92 -1.009534000e-05 8.94 -9.956528400e-06 8.96 -9.819870610e-06 8.98 -9.685328559e-06 9.00 -9.552864926e-06 9.02 -9.422443128e-06 9.04 -9.294027304e-06 9.06 -9.167582302e-06 9.08 -9.043073656e-06 9.10 -8.920467579e-06 9.12 -8.799730945e-06 9.14 -8.680831272e-06 9.16 -8.563736715e-06 9.18 -8.448416043e-06 9.20 -8.334838636e-06 9.22 -8.222974463e-06 9.24 -8.112794075e-06 9.26 -8.004268590e-06 9.28 -7.897369681e-06 9.30 -7.792069567e-06 9.32 -7.688340996e-06 9.34 -7.586157239e-06 9.36 -7.485492077e-06 9.38 -7.386319788e-06 9.40 -7.288615141e-06 9.42 -7.192353383e-06 9.44 -7.097510227e-06 9.46 -7.004061847e-06 9.48 -6.911984865e-06 9.50 -6.821256342e-06 9.52 -6.731853769e-06 9.54 -6.643755061e-06 9.56 -6.556938542e-06 9.58 -6.471382944e-06 9.60 -6.387067391e-06 9.62 -6.303971397e-06 9.64 -6.222074855e-06 9.66 -6.141358030e-06 9.68 -6.061801552e-06 9.70 -5.983386406e-06 9.72 -5.906093927e-06 9.74 -5.829905794e-06 9.76 -5.754804021e-06 9.78 -5.680770948e-06 9.80 -5.607789241e-06 9.82 -5.535841879e-06 9.84 -5.464912150e-06 9.86 -5.394983645e-06 9.88 -5.326040255e-06 9.90 -5.258066157e-06 9.92 -5.191045816e-06 9.94 -5.124963976e-06 9.96 -5.059805654e-06 9.98 -4.995556136e-06 10.00 -4.932200972e-06