# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2018--Wang-K-Zhu-W-Xiang-M-et-al--Pb-II # implementation = 2018--Wang-K--Pb-II--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 2022-05-24 r Pb Pb 0.02 3.072716884e+01 0.04 2.999929387e+01 0.06 2.928727339e+01 0.08 2.859078182e+01 0.10 2.790949951e+01 0.12 2.724311260e+01 0.14 2.659131301e+01 0.16 2.595379829e+01 0.18 2.533027161e+01 0.20 2.472044163e+01 0.22 2.412402243e+01 0.24 2.354073346e+01 0.26 2.297029944e+01 0.28 2.241245027e+01 0.30 2.186692099e+01 0.32 2.133345170e+01 0.34 2.081178744e+01 0.36 2.030167817e+01 0.38 1.980287868e+01 0.40 1.931514851e+01 0.42 1.883825188e+01 0.44 1.837195762e+01 0.46 1.791603911e+01 0.48 1.747027421e+01 0.50 1.703444517e+01 0.52 1.660833856e+01 0.54 1.619174526e+01 0.56 1.578446031e+01 0.58 1.538628291e+01 0.60 1.499701631e+01 0.62 1.461646777e+01 0.64 1.424444850e+01 0.66 1.388077357e+01 0.68 1.352526186e+01 0.70 1.317773601e+01 0.72 1.283802233e+01 0.74 1.250595078e+01 0.76 1.218135486e+01 0.78 1.186407158e+01 0.80 1.155394141e+01 0.82 1.125080818e+01 0.84 1.095451908e+01 0.86 1.066492454e+01 0.88 1.038187821e+01 0.90 1.010523690e+01 0.92 9.834860532e+00 0.94 9.570612049e+00 0.96 9.312357398e+00 0.98 9.059965461e+00 1.00 8.813307998e+00 1.02 8.572259603e+00 1.04 8.336697645e+00 1.06 8.106502219e+00 1.08 7.881556094e+00 1.10 7.661744662e+00 1.12 7.446955890e+00 1.14 7.237080269e+00 1.16 7.032010765e+00 1.18 6.831642770e+00 1.20 6.635874057e+00 1.22 6.444604732e+00 1.24 6.257737186e+00 1.26 6.075176048e+00 1.28 5.896828143e+00 1.30 5.722602448e+00 1.32 5.552410039e+00 1.34 5.386164061e+00 1.36 5.223779672e+00 1.38 5.065174006e+00 1.40 4.910266134e+00 1.42 4.758977016e+00 1.44 4.611229465e+00 1.46 4.466948103e+00 1.48 4.326059324e+00 1.50 4.188491253e+00 1.52 4.054173707e+00 1.54 3.923038158e+00 1.56 3.795017695e+00 1.58 3.670046986e+00 1.60 3.548062241e+00 1.62 3.429001176e+00 1.64 3.312802981e+00 1.66 3.199408277e+00 1.68 3.088759091e+00 1.70 2.980798812e+00 1.72 2.875472167e+00 1.74 2.772725180e+00 1.76 2.672505145e+00 1.78 2.574760590e+00 1.80 2.479441249e+00 1.82 2.386498027e+00 1.84 2.295882973e+00 1.86 2.207549249e+00 1.88 2.121451098e+00 1.90 2.037543819e+00 1.92 1.955783735e+00 1.94 1.876128167e+00 1.96 1.798535403e+00 1.98 1.722964678e+00 2.00 1.649376138e+00 2.02 1.577730822e+00 2.04 1.507990632e+00 2.06 1.440118306e+00 2.08 1.374077400e+00 2.10 1.309832257e+00 2.12 1.247347985e+00 2.14 1.186590436e+00 2.16 1.127526179e+00 2.18 1.070122483e+00 2.20 1.014347289e+00 2.22 9.601691914e-01 2.24 9.075574173e-01 2.26 8.564818045e-01 2.28 8.069127819e-01 2.30 7.588213492e-01 2.32 7.121790580e-01 2.34 6.669579921e-01 2.36 6.231307496e-01 2.38 5.806704244e-01 2.40 5.395505885e-01 2.42 4.997452747e-01 2.44 4.612289596e-01 2.46 4.239765474e-01 2.48 3.879633532e-01 2.50 3.531650879e-01 2.52 3.195578427e-01 2.54 2.871180738e-01 2.56 2.558225887e-01 2.58 2.256485310e-01 2.60 1.965733676e-01 2.62 1.685748747e-01 2.64 1.416311251e-01 2.66 1.157204752e-01 2.68 9.082155340e-02 2.70 6.691324734e-02 2.72 4.397469308e-02 2.74 2.198526326e-02 2.76 9.245568242e-04 2.78 -1.922761201e-02 2.80 -3.849122354e-02 2.82 -5.688606259e-02 2.84 -7.443172807e-02 2.86 -9.114764203e-02 2.88 -1.070530586e-01 2.90 -1.221670726e-01 2.92 -1.365086277e-01 2.94 -1.500965243e-01 2.96 -1.629494273e-01 2.98 -1.750858732e-01 3.00 -1.865242777e-01 3.02 -1.972829417e-01 3.04 -2.073800583e-01 3.06 -2.168337188e-01 3.08 -2.256619188e-01 3.10 -2.338825637e-01 3.12 -2.415134741e-01 3.14 -2.485723909e-01 3.16 -2.550769806e-01 3.18 -2.610448393e-01 3.20 -2.664934977e-01 3.22 -2.714404246e-01 3.24 -2.759030317e-01 3.26 -2.798986765e-01 3.28 -2.834446661e-01 3.30 -2.865582605e-01 3.32 -2.892566754e-01 3.34 -2.915570854e-01 3.36 -2.934766260e-01 3.38 -2.950323966e-01 3.40 -2.962414622e-01 3.42 -2.971208557e-01 3.44 -2.976875794e-01 3.46 -2.979586069e-01 3.48 -2.979508841e-01 3.50 -2.976813308e-01 3.52 -2.971686496e-01 3.54 -2.964387611e-01 3.56 -2.955193909e-01 3.58 -2.944382632e-01 3.60 -2.932231011e-01 3.62 -2.919016262e-01 3.64 -2.905015590e-01 3.66 -2.890500803e-01 3.68 -2.875619952e-01 3.70 -2.860397326e-01 3.72 -2.844851819e-01 3.74 -2.829002316e-01 3.76 -2.812867690e-01 3.78 -2.796466800e-01 3.80 -2.779818496e-01 3.82 -2.762941617e-01 3.84 -2.745854989e-01 3.86 -2.728577428e-01 3.88 -2.711127740e-01 3.90 -2.693524721e-01 3.92 -2.675787153e-01 3.94 -2.657933814e-01 3.96 -2.639983466e-01 3.98 -2.621954865e-01 4.00 -2.603866757e-01 4.02 -2.585737876e-01 4.04 -2.567586949e-01 4.06 -2.549432693e-01 4.08 -2.531293818e-01 4.10 -2.513189021e-01 4.12 -2.495136994e-01 4.14 -2.477156418e-01 4.16 -2.459265969e-01 4.18 -2.441484310e-01 4.20 -2.423830100e-01 4.22 -2.406321987e-01 4.24 -2.388978614e-01 4.26 -2.371818614e-01 4.28 -2.354860614e-01 4.30 -2.338123232e-01 4.32 -2.321619548e-01 4.34 -2.305340502e-01 4.36 -2.289271497e-01 4.38 -2.273397931e-01 4.40 -2.257705195e-01 4.42 -2.242178675e-01 4.44 -2.226803753e-01 4.46 -2.211565803e-01 4.48 -2.196450197e-01 4.50 -2.181442300e-01 4.52 -2.166527473e-01 4.54 -2.151691071e-01 4.56 -2.136918445e-01 4.58 -2.122194942e-01 4.60 -2.107505903e-01 4.62 -2.092836664e-01 4.64 -2.078172559e-01 4.66 -2.063498914e-01 4.68 -2.048801054e-01 4.70 -2.034064297e-01 4.72 -2.019273959e-01 4.74 -2.004415350e-01 4.76 -1.989473777e-01 4.78 -1.974434543e-01 4.80 -1.959282946e-01 4.82 -1.944004281e-01 4.84 -1.928583839e-01 4.86 -1.913006908e-01 4.88 -1.897258771e-01 4.90 -1.881324707e-01 4.92 -1.865189993e-01 4.94 -1.848839902e-01 4.96 -1.832260165e-01 4.98 -1.815447159e-01 5.00 -1.798407901e-01 5.02 -1.781149870e-01 5.04 -1.763680539e-01 5.06 -1.746007381e-01 5.08 -1.728137864e-01 5.10 -1.710079454e-01 5.12 -1.691839613e-01 5.14 -1.673425799e-01 5.16 -1.654845471e-01 5.18 -1.636106081e-01 5.20 -1.617215081e-01 5.22 -1.598180095e-01 5.24 -1.579009448e-01 5.26 -1.559711641e-01 5.28 -1.540295172e-01 5.30 -1.520768538e-01 5.32 -1.501140232e-01 5.34 -1.481418747e-01 5.36 -1.461612574e-01 5.38 -1.441730202e-01 5.40 -1.421780119e-01 5.42 -1.401770811e-01 5.44 -1.381710760e-01 5.46 -1.361608450e-01 5.48 -1.341472360e-01 5.50 -1.321310971e-01 5.52 -1.301132347e-01 5.54 -1.280942902e-01 5.56 -1.260748636e-01 5.58 -1.240555548e-01 5.60 -1.220369634e-01 5.62 -1.200196891e-01 5.64 -1.180043312e-01 5.66 -1.159914889e-01 5.68 -1.139817614e-01 5.70 -1.119757478e-01 5.72 -1.099740467e-01 5.74 -1.079772569e-01 5.76 -1.059859770e-01 5.78 -1.040008054e-01 5.80 -1.020223405e-01 5.82 -1.000511803e-01 5.84 -9.808792305e-02 5.86 -9.613316653e-02 5.88 -9.418750859e-02 5.90 -9.225154692e-02 5.92 -9.032587908e-02 5.94 -8.841110252e-02 5.96 -8.650781458e-02 5.98 -8.461661247e-02 6.00 -8.273809332e-02 6.02 -8.087286011e-02 6.04 -7.902153972e-02 6.06 -7.718476495e-02 6.08 -7.536316541e-02 6.10 -7.355735272e-02 6.12 -7.176793193e-02 6.14 -6.999550799e-02 6.16 -6.824068579e-02 6.18 -6.650407009e-02 6.20 -6.478626561e-02 6.22 -6.308787695e-02 6.24 -6.140950866e-02 6.26 -5.975176519e-02 6.28 -5.811525090e-02 6.30 -5.650057010e-02 6.32 -5.490832700e-02 6.34 -5.333912574e-02 6.36 -5.179357039e-02 6.38 -5.027226493e-02 6.40 -4.877581329e-02 6.42 -4.730481929e-02 6.44 -4.585988673e-02 6.46 -4.444161929e-02 6.48 -4.305062062e-02 6.50 -4.168749427e-02 6.52 -4.035266773e-02 6.54 -3.904586437e-02 6.56 -3.776663146e-02 6.58 -3.651451622e-02 6.60 -3.528906582e-02 6.62 -3.408982735e-02 6.64 -3.291634782e-02 6.66 -3.176817423e-02 6.68 -3.064485349e-02 6.70 -2.954593245e-02 6.72 -2.847095790e-02 6.74 -2.741947660e-02 6.76 -2.639103522e-02 6.78 -2.538518041e-02 6.80 -2.440145874e-02 6.82 -2.343939529e-02 6.84 -2.249842934e-02 6.86 -2.157797866e-02 6.88 -2.067746093e-02 6.90 -1.979629380e-02 6.92 -1.893389484e-02 6.94 -1.808968154e-02 6.96 -1.726307137e-02 6.98 -1.645348173e-02 7.00 -1.566032997e-02 7.02 -1.488311496e-02 7.04 -1.412167983e-02 7.06 -1.337595846e-02 7.08 -1.264588469e-02 7.10 -1.193139233e-02 7.12 -1.123241515e-02 7.14 -1.054888685e-02 7.16 -9.880741103e-03 7.18 -9.227911560e-03 7.20 -8.590331818e-03 7.22 -7.967935445e-03 7.24 -7.360655984e-03 7.26 -6.768426957e-03 7.28 -6.191181840e-03 7.30 -5.628854081e-03 7.32 -5.081377098e-03 7.34 -4.548684285e-03 7.36 -4.030709010e-03 7.38 -3.527384619e-03 7.40 -3.038644436e-03 7.42 -2.564421762e-03 7.44 -2.104649880e-03 7.46 -1.659262042e-03 7.48 -1.228191448e-03 7.50 -8.113713498e-04 7.52 -4.087349884e-04 7.54 -2.021558364e-05 7.56 3.542536628e-04 7.58 7.147395664e-04 7.60 1.061308958e-03 7.62 1.394028686e-03 7.64 1.712965608e-03 7.66 2.018186597e-03 7.68 2.309758540e-03 7.70 2.587748331e-03 7.72 2.852201196e-03 7.74 3.103075655e-03 7.76 3.340308553e-03 7.78 3.563836739e-03 7.80 3.773597081e-03 7.82 3.969526876e-03 7.84 4.151583309e-03 7.86 4.319956788e-03 7.88 4.474987775e-03 7.90 4.617019224e-03 7.92 4.746394106e-03 7.94 4.863455403e-03 7.96 4.968546113e-03 7.98 5.062009245e-03 8.00 5.144187819e-03 8.02 5.215424864e-03 8.04 5.276063419e-03 8.06 5.326446530e-03 8.08 5.366917252e-03 8.10 5.397818645e-03 8.12 5.419493774e-03 8.14 5.432285712e-03 8.16 5.436537534e-03 8.18 5.432592320e-03 8.20 5.420793153e-03 8.22 5.401483121e-03 8.24 5.375005312e-03 8.26 5.341702818e-03 8.28 5.301918734e-03 8.30 5.255996155e-03 8.32 5.204278177e-03 8.34 5.147107899e-03 8.36 5.084828421e-03 8.38 5.017782842e-03 8.40 4.946314263e-03 8.42 4.870765785e-03 8.44 4.791480511e-03 8.46 4.708801542e-03 8.48 4.623071980e-03 8.50 4.534634927e-03 8.52 4.443831915e-03 8.54 4.350998191e-03 8.56 4.256467431e-03 8.58 4.160571924e-03 8.60 4.063550402e-03 8.62 3.965490269e-03 8.64 3.866465148e-03 8.66 3.766548661e-03 8.68 3.665814430e-03 8.70 3.564336075e-03 8.72 3.462187218e-03 8.74 3.359441480e-03 8.76 3.256172482e-03 8.78 3.152453845e-03 8.80 3.048359188e-03 8.82 2.943962133e-03 8.84 2.839336298e-03 8.86 2.734555305e-03 8.88 2.629692773e-03 8.90 2.524822322e-03 8.92 2.420017571e-03 8.94 2.315352141e-03 8.96 2.210899649e-03 8.98 2.106733716e-03 9.00 2.002927960e-03 9.02 1.899556002e-03 9.04 1.796691460e-03 9.06 1.694407953e-03 9.08 1.592779100e-03 9.10 1.491878521e-03 9.12 1.391779834e-03 9.14 1.292556659e-03 9.16 1.194282613e-03 9.18 1.097031317e-03 9.20 1.000876390e-03 9.22 9.058848652e-04 9.24 8.120974391e-04 9.26 7.195482127e-04 9.28 6.193441045e-04 9.30 4.864471337e-04 9.32 3.322008756e-04 9.34 1.881185444e-04 9.36 8.155191813e-05 9.38 2.270481647e-05 9.40 2.404075029e-06 9.42 1.247700826e-09 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