# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2023--Li-P-Huang-Y-Wang-K-et-al--Pb # implementation = 2023--Li-P--Pb--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 2023-06-16 r Pb Pb 0.02 1.141421208e+04 0.04 1.064418159e+04 0.06 9.926020721e+03 0.08 9.256251414e+03 0.10 8.631618701e+03 0.12 8.049084085e+03 0.14 7.505812706e+03 0.16 6.999160175e+03 0.18 6.526659967e+03 0.20 6.086011543e+03 0.22 5.675069223e+03 0.24 5.291831790e+03 0.26 4.934432773e+03 0.28 4.601131387e+03 0.30 4.290304075e+03 0.32 4.000436618e+03 0.34 3.730116776e+03 0.36 3.478027422e+03 0.38 3.242940138e+03 0.40 3.023709245e+03 0.42 2.819266229e+03 0.44 2.628614546e+03 0.46 2.450824775e+03 0.48 2.285030103e+03 0.50 2.130422100e+03 0.52 1.986246797e+03 0.54 1.851801013e+03 0.56 1.726428934e+03 0.58 1.609518927e+03 0.60 1.500500564e+03 0.62 1.398841843e+03 0.64 1.304046604e+03 0.66 1.215652114e+03 0.68 1.133226817e+03 0.70 1.056368232e+03 0.72 9.847009956e+02 0.74 9.178750361e+02 0.76 8.555638700e+02 0.78 7.974630129e+02 0.80 7.432884981e+02 0.82 6.927754941e+02 0.84 6.456770164e+02 0.86 6.017627247e+02 0.88 5.608178023e+02 0.90 5.226419102e+02 0.92 4.870482117e+02 0.94 4.538624633e+02 0.96 4.229221659e+02 0.98 3.940757739e+02 1.00 3.671819573e+02 1.02 3.421089133e+02 1.04 3.187337248e+02 1.06 2.969417613e+02 1.08 2.766261210e+02 1.10 2.576871099e+02 1.12 2.400317563e+02 1.14 2.235733576e+02 1.16 2.082310583e+02 1.18 1.939294554e+02 1.20 1.805982318e+02 1.22 1.681718127e+02 1.24 1.565890469e+02 1.26 1.457929081e+02 1.28 1.357302168e+02 1.30 1.263513817e+02 1.32 1.176101574e+02 1.34 1.094634189e+02 1.36 1.018709512e+02 1.38 9.479525374e+01 1.40 8.820135655e+01 1.42 8.205665032e+01 1.44 7.633072698e+01 1.46 7.099523137e+01 1.48 6.602372281e+01 1.50 6.139154604e+01 1.52 5.707571081e+01 1.54 5.305477962e+01 1.56 4.930876301e+01 1.58 4.581902192e+01 1.60 4.256817659e+01 1.62 3.954002164e+01 1.64 3.671944687e+01 1.66 3.409236334e+01 1.68 3.164563454e+01 1.70 2.936701208e+01 1.72 2.724507580e+01 1.74 2.526917788e+01 1.76 2.342939070e+01 1.78 2.171645828e+01 1.80 2.012175091e+01 1.82 1.863722290e+01 1.84 1.725537315e+01 1.86 1.596920841e+01 1.88 1.477220893e+01 1.90 1.365829655e+01 1.92 1.262180487e+01 1.94 1.165745140e+01 1.96 1.076031169e+01 1.98 9.925795087e+00 2.00 9.149622215e+00 2.02 8.427803938e+00 2.04 7.756621745e+00 2.06 7.132609457e+00 2.08 6.552536173e+00 2.10 6.013390362e+00 2.12 5.512365035e+00 2.14 5.046843907e+00 2.16 4.614388501e+00 2.18 4.212726120e+00 2.20 3.839738633e+00 2.22 3.493452010e+00 2.24 3.172026572e+00 2.26 2.873747898e+00 2.28 2.597018339e+00 2.30 2.340349114e+00 2.32 2.102352935e+00 2.34 1.881737127e+00 2.36 1.677297224e+00 2.38 1.487910980e+00 2.40 1.312532803e+00 2.42 1.150188553e+00 2.44 9.999706949e-01 2.46 8.610337801e-01 2.48 7.325902323e-01 2.50 6.139064185e-01 2.52 5.042989858e-01 2.54 4.031314455e-01 2.56 3.098109886e-01 2.58 2.237855168e-01 2.60 1.445408736e-01 2.62 7.159826397e-02 2.64 4.511847387e-03 2.66 -5.713350521e-02 2.68 -1.137243032e-01 2.70 -1.656203860e-01 2.72 -2.131567411e-01 2.74 -2.566451990e-01 2.76 -2.963760124e-01 2.78 -3.326193297e-01 2.80 -3.656265675e-01 2.82 -3.956316907e-01 2.84 -4.228524055e-01 2.86 -4.474912714e-01 2.88 -4.697367379e-01 2.90 -4.897641108e-01 2.92 -5.077364527e-01 2.94 -5.238054228e-01 2.96 -5.381120588e-01 2.98 -5.507875069e-01 3.00 -5.619537008e-01 3.02 -5.717239954e-01 3.04 -5.802037572e-01 3.06 -5.874909143e-01 3.08 -5.936764695e-01 3.10 -5.988449776e-01 3.12 -6.030749908e-01 3.14 -6.064394736e-01 3.16 -6.090061893e-01 3.18 -6.108380603e-01 3.20 -6.119935036e-01 3.22 -6.125267435e-01 3.24 -6.124881027e-01 3.26 -6.119242741e-01 3.28 -6.108785732e-01 3.30 -6.093911740e-01 3.32 -6.074993278e-01 3.34 -6.052375680e-01 3.36 -6.026379005e-01 3.38 -5.997299805e-01 3.40 -5.965412777e-01 3.42 -5.930972306e-01 3.44 -5.894213887e-01 3.46 -5.855355466e-01 3.48 -5.814598676e-01 3.50 -5.772129997e-01 3.52 -5.728121152e-01 3.54 -5.682732132e-01 3.56 -5.636121107e-01 3.58 -5.588446253e-01 3.60 -5.539865756e-01 3.62 -5.490537804e-01 3.64 -5.440620595e-01 3.66 -5.390269732e-01 3.68 -5.339580999e-01 3.70 -5.288590360e-01 3.72 -5.237331189e-01 3.74 -5.185836860e-01 3.76 -5.134140758e-01 3.78 -5.082276270e-01 3.80 -5.030276791e-01 3.82 -4.978175721e-01 3.84 -4.926006465e-01 3.86 -4.873802433e-01 3.88 -4.821597043e-01 3.90 -4.769423714e-01 3.92 -4.717315873e-01 3.94 -4.665306952e-01 3.96 -4.613430388e-01 3.98 -4.561719621e-01 4.00 -4.510208097e-01 4.02 -4.458924049e-01 4.04 -4.407874833e-01 4.06 -4.357062590e-01 4.08 -4.306489466e-01 4.10 -4.256157612e-01 4.12 -4.206069183e-01 4.14 -4.156226340e-01 4.16 -4.106631244e-01 4.18 -4.057286065e-01 4.20 -4.008192976e-01 4.22 -3.959354151e-01 4.24 -3.910771773e-01 4.26 -3.862448025e-01 4.28 -3.814385096e-01 4.30 -3.766585180e-01 4.32 -3.719050473e-01 4.34 -3.671783175e-01 4.36 -3.624785490e-01 4.38 -3.578059627e-01 4.40 -3.531607798e-01 4.42 -3.485432219e-01 4.44 -3.439535108e-01 4.46 -3.393918688e-01 4.48 -3.348585188e-01 4.50 -3.303536836e-01 4.52 -3.258775866e-01 4.54 -3.214304517e-01 4.56 -3.170125028e-01 4.58 -3.126239644e-01 4.60 -3.082650612e-01 4.62 -3.039360185e-01 4.64 -2.996370616e-01 4.66 -2.953684163e-01 4.68 -2.911303088e-01 4.70 -2.869229655e-01 4.72 -2.827466133e-01 4.74 -2.786014792e-01 4.76 -2.744877906e-01 4.78 -2.704057754e-01 4.80 -2.663556617e-01 4.82 -2.623376778e-01 4.84 -2.583520525e-01 4.86 -2.543990148e-01 4.88 -2.504787941e-01 4.90 -2.465916201e-01 4.92 -2.427377229e-01 4.94 -2.389173326e-01 4.96 -2.351306721e-01 4.98 -2.313777857e-01 5.00 -2.276585391e-01 5.02 -2.239727903e-01 5.04 -2.203203980e-01 5.06 -2.167012207e-01 5.08 -2.131151177e-01 5.10 -2.095619483e-01 5.12 -2.060415723e-01 5.14 -2.025538497e-01 5.16 -1.990986407e-01 5.18 -1.956758060e-01 5.20 -1.922852066e-01 5.22 -1.889267037e-01 5.24 -1.856001588e-01 5.26 -1.823054338e-01 5.28 -1.790423908e-01 5.30 -1.758108924e-01 5.32 -1.726108012e-01 5.34 -1.694419805e-01 5.36 -1.663042935e-01 5.38 -1.631976040e-01 5.40 -1.601217760e-01 5.42 -1.570766738e-01 5.44 -1.540621621e-01 5.46 -1.510781059e-01 5.48 -1.481243703e-01 5.50 -1.452008211e-01 5.52 -1.423073241e-01 5.54 -1.394437455e-01 5.56 -1.366099519e-01 5.58 -1.338058101e-01 5.60 -1.310311875e-01 5.62 -1.282859514e-01 5.64 -1.255699698e-01 5.66 -1.228831108e-01 5.68 -1.202252430e-01 5.70 -1.175962352e-01 5.72 -1.149959566e-01 5.74 -1.124242767e-01 5.76 -1.098810655e-01 5.78 -1.073661932e-01 5.80 -1.048795302e-01 5.82 -1.024209477e-01 5.84 -9.999031685e-02 5.86 -9.758750930e-02 5.88 -9.521239707e-02 5.90 -9.286485256e-02 5.92 -9.054474851e-02 5.94 -8.825195807e-02 5.96 -8.598635472e-02 5.98 -8.374781238e-02 6.00 -8.153620531e-02 6.02 -7.935140821e-02 6.04 -7.719329615e-02 6.06 -7.506174462e-02 6.08 -7.295633726e-02 6.10 -7.087513601e-02 6.12 -6.881614490e-02 6.14 -6.677794821e-02 6.16 -6.475965665e-02 6.18 -6.276085571e-02 6.20 -6.078155628e-02 6.22 -5.882214680e-02 6.24 -5.688334652e-02 6.26 -5.496615924e-02 6.28 -5.307182735e-02 6.30 -5.120178586e-02 6.32 -4.935761631e-02 6.34 -4.754100060e-02 6.36 -4.575367485e-02 6.38 -4.399738340e-02 6.40 -4.227383351e-02 6.42 -4.058465102e-02 6.44 -3.893133749e-02 6.46 -3.731522982e-02 6.48 -3.573746269e-02 6.50 -3.419893509e-02 6.52 -3.270028173e-02 6.54 -3.124185050e-02 6.56 -2.982368737e-02 6.58 -2.844552979e-02 6.60 -2.710681034e-02 6.62 -2.580667198e-02 6.64 -2.454399676e-02 6.66 -2.331744964e-02 6.68 -2.212553944e-02 6.70 -2.096669892e-02 6.72 -1.983938603e-02 6.74 -1.874220878e-02 6.76 -1.767407585e-02 6.78 -1.663437553e-02 6.80 -1.562318566e-02 6.82 -1.464149833e-02 6.84 -1.369042700e-02 6.86 -1.277016907e-02 6.88 -1.188083344e-02 6.90 -1.102253036e-02 6.92 -1.019537186e-02 6.94 -9.399470003e-03 6.96 -8.634939362e-03 6.98 -7.901895700e-03 7.00 -7.200454854e-03 7.02 -6.530737705e-03 7.04 -5.892860912e-03 7.06 -5.286951783e-03 7.08 -4.713126291e-03 7.10 -4.171519491e-03 7.12 -3.662240854e-03 7.14 -3.185422713e-03 7.16 -2.741283633e-03 7.18 -2.330081004e-03 7.20 -1.951712313e-03 7.22 -1.606051498e-03 7.24 -1.293121659e-03 7.26 -1.012959581e-03 7.28 -7.663068334e-04 7.30 -5.537472825e-04 7.32 -3.755867541e-04 7.34 -2.319403521e-04 7.36 -1.228054592e-04 7.38 -4.812048551e-05 7.40 -7.809430384e-06 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 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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