# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2015--Elliott-R-S-Akerson-A--La # implementation = LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 # 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 La La 0.02 1.547089432e+28 0.04 3.777073809e+24 0.06 2.911121709e+22 0.08 9.221371604e+20 0.10 6.336878312e+19 0.12 7.107230727e+18 0.14 1.117735226e+18 0.16 2.251311412e+17 0.18 5.477789011e+16 0.20 1.547089393e+16 0.22 4.929503487e+15 0.24 1.735163622e+15 0.26 6.640413726e+14 0.28 2.728845252e+14 0.30 1.192395107e+14 0.32 5.496363444e+13 0.34 2.655388662e+13 0.36 1.337349695e+13 0.38 6.989911687e+12 0.40 3.777067664e+12 0.42 2.103211442e+12 0.44 1.203488648e+12 0.46 7.059594449e+11 0.48 4.236219053e+11 0.50 2.595569248e+11 0.52 1.621182225e+11 0.54 1.030732505e+11 0.56 6.662139513e+10 0.58 4.372530802e+10 0.60 2.911067759e+10 0.62 1.964107685e+10 0.64 1.341849550e+10 0.66 9.275426369e+09 0.68 6.482631858e+09 0.70 4.578029547e+09 0.72 3.264836046e+09 0.74 2.349992102e+09 0.76 1.706392825e+09 0.78 1.249399375e+09 0.80 9.220411400e+08 0.82 6.855777143e+08 0.84 5.134088237e+08 0.86 3.871008771e+08 0.88 2.937671164e+08 0.90 2.243228769e+08 0.92 1.723125164e+08 0.94 1.331134989e+08 0.96 1.033916621e+08 0.98 8.072529044e+07 1.00 6.334361195e+07 1.02 4.994350176e+07 1.04 3.956006183e+07 1.06 3.147459913e+07 1.08 2.514875354e+07 1.10 2.017703871e+07 1.12 1.625243580e+07 1.14 1.314130010e+07 1.16 1.066495414e+07 1.18 8.686110135e+06 1.20 7.098800956e+06 1.22 5.820874166e+06 1.24 4.788368706e+06 1.26 3.951281583e+06 1.28 3.270366039e+06 1.30 2.714698926e+06 1.32 2.259824351e+06 1.34 1.886331090e+06 1.36 1.578757902e+06 1.38 1.324747818e+06 1.40 1.114392238e+06 1.42 9.397203333e+05 1.44 7.943001097e+05 1.46 6.729256096e+05 1.48 5.713708129e+05 1.50 4.861953629e+05 1.52 4.145907072e+05 1.54 3.542578596e+05 1.56 3.033099849e+05 1.58 2.601945343e+05 1.60 2.236308251e+05 1.62 1.925598587e+05 1.64 1.661038672e+05 1.66 1.435336127e+05 1.68 1.242418848e+05 1.70 1.077219666e+05 1.72 9.355009271e+04 1.74 8.137112567e+04 1.76 7.088683098e+04 1.78 6.184625805e+04 1.80 5.403783015e+04 1.82 4.728282548e+04 1.84 4.142999298e+04 1.86 3.635109595e+04 1.88 3.193721574e+04 1.90 2.809567994e+04 1.92 2.474750415e+04 1.94 2.182525753e+04 1.96 1.927127849e+04 1.98 1.703618024e+04 2.00 1.507759687e+04 2.02 1.335912933e+04 2.04 1.184945798e+04 2.06 1.052159398e+04 2.08 9.352246767e+03 2.10 8.321288854e+03 2.12 7.411302038e+03 2.14 6.607192212e+03 2.16 5.895861785e+03 2.18 5.265930723e+03 2.20 4.707498611e+03 2.22 4.211941430e+03 2.24 3.771737711e+03 2.26 3.380319623e+03 2.28 3.031945238e+03 2.30 2.721588810e+03 2.32 2.444846407e+03 2.34 2.197854631e+03 2.36 1.977220528e+03 2.38 1.779961075e+03 2.40 1.603450855e+03 2.42 1.445376770e+03 2.44 1.303698799e+03 2.46 1.176615937e+03 2.48 1.062536619e+03 2.50 9.600529948e+02 2.52 8.679185308e+02 2.54 7.850284876e+02 2.56 7.104028875e+02 2.58 6.431716362e+02 2.60 5.825615121e+02 2.62 5.278847797e+02 2.64 4.785292107e+02 2.66 4.339493338e+02 2.68 3.936587503e+02 2.70 3.572233830e+02 2.72 3.242555364e+02 2.74 2.944086673e+02 2.76 2.673727766e+02 2.78 2.428703436e+02 2.80 2.206527372e+02 2.82 2.004970446e+02 2.84 1.822032658e+02 2.86 1.655918313e+02 2.88 1.505014018e+02 2.90 1.367869181e+02 2.92 1.243178700e+02 2.94 1.129767595e+02 2.96 1.026577343e+02 2.98 9.326537216e+01 3.00 8.471359964e+01 3.02 7.692472773e+01 3.04 6.982859271e+01 3.06 6.336178944e+01 3.08 5.746698678e+01 3.10 5.209231594e+01 3.12 4.719082355e+01 3.14 4.271998236e+01 3.16 3.864125305e+01 3.18 3.491969166e+01 3.20 3.152359767e+01 3.22 2.842419814e+01 3.24 2.559536428e+01 3.26 2.301335678e+01 3.28 2.065659687e+01 3.30 1.850546047e+01 3.32 1.654209282e+01 3.34 1.475024167e+01 3.36 1.311510686e+01 3.38 1.162320478e+01 3.40 1.026224608e+01 3.42 9.021025222e+00 3.44 7.889320838e+00 3.46 6.857805600e+00 3.48 5.917964771e+00 3.50 5.062022516e+00 3.52 4.282875208e+00 3.54 3.574031026e+00 3.56 2.929555239e+00 3.58 2.344020590e+00 3.60 1.812462315e+00 3.62 1.330337316e+00 3.64 8.934870949e-01 3.66 4.981040999e-01 3.68 1.407011313e-01 3.70 -1.819164646e-01 3.72 -4.726760880e-01 3.74 -7.342609005e-01 3.76 -9.691307762e-01 3.78 -1.179541382e+00 3.80 -1.367561564e+00 3.82 -1.535089193e+00 3.84 -1.683865615e+00 3.86 -1.815488834e+00 3.88 -1.931425543e+00 3.90 -2.033022108e+00 3.92 -2.121514598e+00 3.94 -2.198037955e+00 3.96 -2.263634366e+00 3.98 -2.319260932e+00 4.00 -2.365796665e+00 4.02 -2.404048909e+00 4.04 -2.434759202e+00 4.06 -2.458608654e+00 4.08 -2.476222868e+00 4.10 -2.488176447e+00 4.12 -2.494997132e+00 4.14 -2.497169590e+00 4.16 -2.495138890e+00 4.18 -2.489313688e+00 4.20 -2.480069161e+00 4.22 -2.467749684e+00 4.24 -2.452671305e+00 4.26 -2.435124002e+00 4.28 -2.415373768e+00 4.30 -2.393664526e+00 4.32 -2.370219880e+00 4.34 -2.345244736e+00 4.36 -2.318926785e+00 4.38 -2.291437875e+00 4.40 -2.262935260e+00 4.42 -2.233562766e+00 4.44 -2.203451851e+00 4.46 -2.172722587e+00 4.48 -2.141484562e+00 4.50 -2.109837716e+00 4.52 -2.077873098e+00 4.54 -2.045673582e+00 4.56 -2.013314511e+00 4.58 -1.980864295e+00 4.60 -1.948384969e+00 4.62 -1.915932698e+00 4.64 -1.883558248e+00 4.66 -1.851307416e+00 4.68 -1.819221434e+00 4.70 -1.787337333e+00 4.72 -1.755688285e+00 4.74 -1.724303913e+00 4.76 -1.693210585e+00 4.78 -1.662431673e+00 4.80 -1.631987808e+00 4.82 -1.601897099e+00 4.84 -1.572175345e+00 4.86 -1.542836231e+00 4.88 -1.513891499e+00 4.90 -1.485351122e+00 4.92 -1.457223445e+00 4.94 -1.429515334e+00 4.96 -1.402232298e+00 4.98 -1.375378614e+00 5.00 -1.348957431e+00 5.02 -1.322970875e+00 5.04 -1.297420141e+00 5.06 -1.272305579e+00 5.08 -1.247626774e+00 5.10 -1.223382616e+00 5.12 -1.199571374e+00 5.14 -1.176190748e+00 5.16 -1.153237936e+00 5.18 -1.130709681e+00 5.20 -1.108602319e+00 5.22 -1.086911827e+00 5.24 -1.065633859e+00 5.26 -1.044763790e+00 5.28 -1.024296743e+00 5.30 -1.004227628e+00 5.32 -9.845511636e-01 5.34 -9.652619108e-01 5.36 -9.463542927e-01 5.38 -9.278226183e-01 5.40 -9.096611033e-01 5.42 -8.918638879e-01 5.44 -8.744250546e-01 5.46 -8.573386434e-01 5.48 -8.405986660e-01 5.50 -8.241991188e-01 5.52 -8.081339944e-01 5.54 -7.923972922e-01 5.56 -7.769830285e-01 5.58 -7.618852444e-01 5.60 -7.470980142e-01 5.62 -7.326154522e-01 5.64 -7.184317189e-01 5.66 -7.045410271e-01 5.68 -6.909376464e-01 5.70 -6.776159076e-01 5.72 -6.645702074e-01 5.74 -6.517950109e-01 5.76 -6.392848551e-01 5.78 -6.270343516e-01 5.80 -6.150381884e-01 5.82 -6.032911323e-01 5.84 -5.917880301e-01 5.86 -5.805238098e-01 5.88 -5.694934823e-01 5.90 -5.586921414e-01 5.92 -5.481149647e-01 5.94 -5.377572143e-01 5.96 -5.276142362e-01 5.98 -5.176814612e-01 6.00 -5.079544043e-01 6.02 -4.984286643e-01 6.04 -4.890999240e-01 6.06 -4.799639492e-01 6.08 -4.710165882e-01 6.10 -4.622537715e-01 6.12 -4.536715104e-01 6.14 -4.452658968e-01 6.16 -4.370331020e-01 6.18 -4.289693758e-01 6.20 -4.210710454e-01 6.22 -4.133345148e-01 6.24 -4.057562631e-01 6.26 -3.983328439e-01 6.28 -3.910608840e-01 6.30 -3.839370823e-01 6.32 -3.769582084e-01 6.34 -3.701211018e-01 6.36 -3.634226705e-01 6.38 -3.568598897e-01 6.40 -3.504298009e-01 6.42 -3.441295103e-01 6.44 -3.379561880e-01 6.46 -3.319070666e-01 6.48 -3.259794398e-01 6.50 -3.201706617e-01 6.52 -3.144781451e-01 6.54 -3.088993607e-01 6.56 -3.034318358e-01 6.58 -2.980731529e-01 6.60 -2.928209491e-01 6.62 -2.876729143e-01 6.64 -2.826267908e-01 6.66 -2.776803716e-01 6.68 -2.728314996e-01 6.70 -2.680780664e-01 6.72 -2.634180114e-01 6.74 -2.588493207e-01 6.76 -2.543700260e-01 6.78 -2.499782035e-01 6.80 -2.456719734e-01 6.82 -2.414494982e-01 6.84 -2.373089824e-01 6.86 -2.332486711e-01 6.88 -2.292668493e-01 6.90 -2.253618411e-01 6.92 -2.215320085e-01 6.94 -2.177757509e-01 6.96 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