# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Pb # implementation = 2004--Zhou-X-W--Pb--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 Pb Pb 0.02 9.518354700e+03 0.04 4.765785260e+03 0.06 3.181595447e+03 0.08 2.389500541e+03 0.10 1.914243597e+03 0.12 1.597405634e+03 0.14 1.371092804e+03 0.16 1.201358181e+03 0.18 1.069342363e+03 0.20 9.637297087e+02 0.22 8.773193553e+02 0.24 8.053107274e+02 0.26 7.443803500e+02 0.28 6.921543122e+02 0.30 6.468917461e+02 0.32 6.072870008e+02 0.34 5.723416372e+02 0.36 5.412790919e+02 0.38 5.134862881e+02 0.40 4.884727648e+02 0.42 4.658414817e+02 0.44 4.452675881e+02 0.46 4.264827286e+02 0.48 4.092632741e+02 0.50 3.932664902e+02 0.52 3.728426181e+02 0.54 3.533155463e+02 0.56 3.347868410e+02 0.58 3.172058795e+02 0.60 3.005246003e+02 0.62 2.846973736e+02 0.64 2.696808780e+02 0.66 2.554339838e+02 0.68 2.419176425e+02 0.70 2.290947814e+02 0.72 2.169302035e+02 0.74 2.053904928e+02 0.76 1.944439241e+02 0.78 1.840603776e+02 0.80 1.742112575e+02 0.82 1.648694154e+02 0.84 1.560090764e+02 0.86 1.476057700e+02 0.88 1.396362643e+02 0.90 1.320785029e+02 0.92 1.249115458e+02 0.94 1.181155128e+02 0.96 1.116715301e+02 0.98 1.055616788e+02 1.00 9.976894739e+01 1.02 9.427718539e+01 1.04 8.907105990e+01 1.06 8.413601428e+01 1.08 7.945822889e+01 1.10 7.502458381e+01 1.12 7.082262349e+01 1.14 6.684052310e+01 1.16 6.306705671e+01 1.18 5.949156696e+01 1.20 5.610393632e+01 1.22 5.289455981e+01 1.24 4.985431908e+01 1.26 4.697455780e+01 1.28 4.424705833e+01 1.30 4.166401949e+01 1.32 3.921803557e+01 1.34 3.690207629e+01 1.36 3.470946783e+01 1.38 3.263387483e+01 1.40 3.066928327e+01 1.42 2.880998420e+01 1.44 2.705055837e+01 1.46 2.538586153e+01 1.48 2.381101058e+01 1.50 2.232137031e+01 1.52 2.091254093e+01 1.54 1.958034612e+01 1.56 1.832082176e+01 1.58 1.713020519e+01 1.60 1.600492504e+01 1.62 1.494159152e+01 1.64 1.393698730e+01 1.66 1.298805873e+01 1.68 1.209190783e+01 1.70 1.124565432e+01 1.72 1.044662742e+01 1.74 9.692505969e+00 1.76 8.981066147e+00 1.78 8.310177842e+00 1.80 7.677802055e+00 1.82 7.081988241e+00 1.84 6.520871593e+00 1.86 5.992670303e+00 1.88 5.495682736e+00 1.90 5.028290322e+00 1.92 4.588982282e+00 1.94 4.176331606e+00 1.96 3.788970955e+00 1.98 3.425591682e+00 2.00 3.084942202e+00 2.02 2.765826310e+00 2.04 2.467101462e+00 2.06 2.187677041e+00 2.08 1.926512602e+00 2.10 1.682616121e+00 2.12 1.455042257e+00 2.14 1.242890612e+00 2.16 1.045304030e+00 2.18 8.614669093e-01 2.20 6.906035506e-01 2.22 5.319765355e-01 2.24 3.848851454e-01 2.26 2.486638175e-01 2.28 1.226806433e-01 2.30 6.335908704e-03 2.32 -1.009393209e-01 2.34 -1.996845716e-01 2.36 -2.904112865e-01 2.38 -3.736041066e-01 2.40 -4.497221062e-01 2.42 -5.191999833e-01 2.44 -5.824492065e-01 2.46 -6.398591170e-01 2.48 -6.917979885e-01 2.50 -7.386140443e-01 2.52 -7.806364333e-01 2.54 -8.181761660e-01 2.56 -8.515270103e-01 2.58 -8.809663502e-01 2.60 -9.067560066e-01 2.62 -9.291430225e-01 2.64 -9.483604134e-01 2.66 -9.646278838e-01 2.68 -9.781525113e-01 2.70 -9.891294000e-01 2.72 -9.977423024e-01 2.74 -1.004164214e+00 2.76 -1.008557937e+00 2.78 -1.011076622e+00 2.80 -1.011864278e+00 2.82 -1.011056265e+00 2.84 -1.008779752e+00 2.86 -1.005154166e+00 2.88 -1.000291609e+00 2.90 -9.942972547e-01 2.92 -9.872697338e-01 2.94 -9.793014904e-01 2.96 -9.704791257e-01 2.98 -9.608837232e-01 3.00 -9.505911570e-01 3.02 -9.396723844e-01 3.04 -9.281937244e-01 3.06 -9.162171201e-01 3.08 -9.038003893e-01 3.10 -8.909974609e-01 3.12 -8.778585991e-01 3.14 -8.644306165e-01 3.16 -8.507570751e-01 3.18 -8.368784772e-01 3.20 -8.228324461e-01 3.22 -8.086538970e-01 3.24 -7.943751985e-01 3.26 -7.800263265e-01 3.28 -7.656350082e-01 3.30 -7.512268598e-01 3.32 -7.368255156e-01 3.34 -7.224527507e-01 3.36 -7.081285967e-01 3.38 -6.938714512e-01 3.40 -6.796981808e-01 3.42 -6.656242190e-01 3.44 -6.516636582e-01 3.46 -6.378293362e-01 3.48 -6.241329186e-01 3.50 -6.105849756e-01 3.52 -5.971950551e-01 3.54 -5.839717506e-01 3.56 -5.709227655e-01 3.58 -5.580549739e-01 3.60 -5.453744765e-01 3.62 -5.328866537e-01 3.64 -5.205962146e-01 3.66 -5.085072432e-01 3.68 -4.966232403e-01 3.70 -4.849471628e-01 3.72 -4.734814592e-01 3.74 -4.622281022e-01 3.76 -4.511886178e-01 3.78 -4.403641111e-01 3.80 -4.297552887e-01 3.82 -4.193624780e-01 3.84 -4.091856433e-01 3.86 -3.992243980e-01 3.88 -3.894780139e-01 3.90 -3.799454277e-01 3.92 -3.706252439e-01 3.94 -3.615157355e-01 3.96 -3.526148420e-01 3.98 -3.439201664e-01 4.00 -3.354289706e-01 4.02 -3.271381717e-01 4.04 -3.190443389e-01 4.06 -3.111436931e-01 4.08 -3.034321117e-01 4.10 -2.959051380e-01 4.12 -2.885579993e-01 4.14 -2.813856333e-01 4.16 -2.743827252e-01 4.18 -2.675437558e-01 4.20 -2.608630607e-01 4.22 -2.543348997e-01 4.24 -2.479535345e-01 4.26 -2.417133131e-01 4.28 -2.356087558e-01 4.30 -2.296346390e-01 4.32 -2.237860740e-01 4.34 -2.180585734e-01 4.36 -2.124481042e-01 4.38 -2.069511220e-01 4.40 -2.015645866e-01 4.42 -1.962859574e-01 4.44 -1.911131704e-01 4.46 -1.860445984e-01 4.48 -1.810789981e-01 4.50 -1.762154498e-01 4.52 -1.714532883e-01 4.54 -1.667920343e-01 4.56 -1.622313295e-01 4.58 -1.577708765e-01 4.60 -1.534103849e-01 4.62 -1.491495266e-01 4.64 -1.449878996e-01 4.66 -1.409250012e-01 4.68 -1.369602090e-01 4.70 -1.330927698e-01 4.72 -1.293217948e-01 4.74 -1.256462605e-01 4.76 -1.220650133e-01 4.78 -1.185767777e-01 4.80 -1.151801666e-01 4.82 -1.118736920e-01 4.84 -1.086557778e-01 4.86 -1.055247719e-01 4.88 -1.024789582e-01 4.90 -9.951656857e-02 4.92 -9.663579377e-02 4.94 -9.383479319e-02 4.96 -9.111170407e-02 4.98 -8.846464958e-02 5.00 -8.589174589e-02 5.02 -8.339110829e-02 5.04 -8.096085644e-02 5.06 -7.859911878e-02 5.08 -7.630403614e-02 5.10 -7.407376459e-02 5.12 -7.190647777e-02 5.14 -6.980036847e-02 5.16 -6.775364981e-02 5.18 -6.576455588e-02 5.20 -6.383134200e-02 5.22 -6.195228298e-02 5.24 -6.012546110e-02 5.26 -5.834908531e-02 5.28 -5.662154831e-02 5.30 -5.494125359e-02 5.32 -5.330661469e-02 5.34 -5.171605437e-02 5.36 -5.016800353e-02 5.38 -4.866090010e-02 5.40 -4.719318778e-02 5.42 -4.576331488e-02 5.44 -4.436973307e-02 5.46 -4.301089643e-02 5.48 -4.168526059e-02 5.50 -4.039128222e-02 5.52 -3.912741898e-02 5.54 -3.789212997e-02 5.56 -3.668387692e-02 5.58 -3.550112618e-02 5.60 -3.434235187e-02 5.62 -3.320604015e-02 5.64 -3.209069507e-02 5.66 -3.099484601e-02 5.68 -2.991705713e-02 5.70 -2.885593883e-02 5.72 -2.781016157e-02 5.74 -2.677847212e-02 5.76 -2.575971219e-02 5.78 -2.475283953e-02 5.80 -2.375695105e-02 5.82 -2.277130776e-02 5.84 -2.179536070e-02 5.86 -2.082877700e-02 5.88 -1.987146493e-02 5.90 -1.892359633e-02 5.92 -1.798562488e-02 5.94 -1.705829823e-02 5.96 -1.614266215e-02 5.98 -1.524005490e-02 6.00 -1.435209033e-02 6.02 -1.348062873e-02 6.04 -1.262773525e-02 6.06 -1.179562646e-02 6.08 -1.098660661e-02 6.10 -1.020299626e-02 6.12 -9.447056585e-03 6.14 -8.720913287e-03 6.16 -8.026484477e-03 6.18 -7.365416477e-03 6.20 -6.739031174e-03 6.22 -6.148287613e-03 6.24 -5.593759414e-03 6.26 -5.075628415e-03 6.28 -4.593693796e-03 6.30 -4.147394906e-03 6.32 -3.735845328e-03 6.34 -3.357875230e-03 6.36 -3.012078935e-03 6.38 -2.696864776e-03 6.40 -2.410504621e-03 6.42 -2.151180944e-03 6.44 -1.917029822e-03 6.46 -1.706178810e-03 6.48 -1.516779098e-03 6.50 -1.347031808e-03 6.52 -1.195208580e-03 6.54 -1.059666862e-03 6.56 -9.388604625e-04 6.58 -8.313459989e-04 6.60 -7.357859063e-04 6.62 -6.509486602e-04 6.64 -5.757068056e-04 6.66 -5.090333339e-04 6.68 -4.499968710e-04 6.70 -3.977560679e-04 6.72 -3.515535147e-04 6.74 -3.107094337e-04 6.76 -2.746153501e-04 6.78 -2.427278887e-04 6.80 -2.145628060e-04 6.82 -1.896893296e-04 6.84 -1.677248530e-04 6.86 -1.483300120e-04 6.88 -1.312041499e-04 6.90 -1.160811717e-04 6.92 -1.027257736e-04 6.94 -9.093003182e-05 6.96 -8.051032880e-05 6.98 -7.130459392e-05 7.00 -6.316983380e-05 7.02 -5.597992800e-05 7.04 -4.962366596e-05 7.06 -4.400300244e-05 7.08 -3.903150958e-05 7.10 -3.463300572e-05 7.12 -3.074034210e-05 7.14 -2.729433056e-05 7.16 -2.424279666e-05 7.18 -2.153974423e-05 7.20 -1.914461869e-05 7.22 -1.702165789e-05 7.24 -1.513932018e-05 7.26 -1.346978084e-05 7.28 -1.198848875e-05 7.30 -1.067377618e-05 7.32 -9.506515422e-06 7.34 -8.469816570e-06 7.36 -7.548761671e-06 7.38 -6.730170740e-06 7.40 -6.002395881e-06 7.42 -5.355140094e-06 7.44 -4.779297802e-06 7.46 -4.266814483e-06 7.48 -3.810563072e-06 7.50 -3.404235136e-06 7.52 -3.042245026e-06 7.54 -2.719645433e-06 7.56 -2.432052986e-06 7.58 -2.175582674e-06 7.60 -1.946790032e-06 7.62 -1.742620156e-06 7.64 -1.560362734e-06 7.66 -1.397612361e-06 7.68 -1.252233521e-06 7.70 -1.122329659e-06 7.72 -1.006215879e-06 7.74 -9.023948137e-07 7.76 -8.095353076e-07 7.78 -7.264535694e-07 7.80 -6.520965058e-07 7.82 -5.855271116e-07 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