# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2014--Fraile-A-Cuesta-Lopez-S-Caro-A-et-al--Pb-Li # implementation = 2014--Fraile-A--Pb-Li--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 2025-12-17 r Pb Pb Li Li Li Pb 0.02 5.925392272e+02 3.419366899e+03 2.005953063e+03 0.04 5.639896316e+02 3.278781959e+03 1.921385795e+03 0.06 5.368169297e+02 3.142350024e+03 1.839583477e+03 0.08 5.109482132e+02 3.009963570e+03 1.760455892e+03 0.10 4.863201263e+02 2.881550722e+03 1.683935424e+03 0.12 4.628721790e+02 2.757045547e+03 1.609958863e+03 0.14 4.405467118e+02 2.636383809e+03 1.538465261e+03 0.16 4.192898823e+02 2.519501909e+03 1.469395896e+03 0.18 3.990510717e+02 2.406336175e+03 1.402682969e+03 0.20 3.797812859e+02 2.296822046e+03 1.338228371e+03 0.22 3.614330593e+02 2.190898273e+03 1.276033212e+03 0.24 3.439619561e+02 2.088501798e+03 1.216043645e+03 0.26 3.273275326e+02 1.989569593e+03 1.158207807e+03 0.28 3.114896478e+02 1.894038648e+03 1.102474034e+03 0.30 2.964093753e+02 1.801845966e+03 1.048791244e+03 0.32 2.820502347e+02 1.712928556e+03 9.971096063e+02 0.34 2.683781477e+02 1.627223435e+03 9.473804920e+02 0.36 2.553605809e+02 1.544667623e+03 8.995560334e+02 0.38 2.429659915e+02 1.465198144e+03 8.535888870e+02 0.40 2.311643789e+02 1.388752023e+03 8.094324577e+02 0.42 2.199277065e+02 1.315266287e+03 7.670411545e+02 0.44 2.092294658e+02 1.244677965e+03 7.263701445e+02 0.46 1.990437732e+02 1.176924088e+03 6.873749097e+02 0.48 1.893455250e+02 1.111941686e+03 6.500113221e+02 0.50 1.801117259e+02 1.049667792e+03 6.142363250e+02 0.52 1.713206568e+02 9.900394380e+02 5.800074765e+02 0.54 1.629511686e+02 9.329936562e+02 5.472826394e+02 0.56 1.549828257e+02 8.784674804e+02 5.160200381e+02 0.58 1.473964856e+02 8.263979443e+02 4.861785398e+02 0.60 1.401741317e+02 7.767220816e+02 4.577175755e+02 0.62 1.332984596e+02 7.293769259e+02 4.305969321e+02 0.64 1.267527008e+02 6.842995130e+02 4.047767232e+02 0.66 1.205210674e+02 6.414268788e+02 3.802174991e+02 0.68 1.145887814e+02 6.006960567e+02 3.568802888e+02 0.70 1.089418606e+02 5.620440822e+02 3.347265107e+02 0.72 1.035663901e+02 5.254079912e+02 3.137176473e+02 0.74 9.844917050e+01 4.907248196e+02 2.938155097e+02 0.76 9.357806471e+01 4.579316041e+02 2.749824723e+02 0.78 8.894146321e+01 4.269653816e+02 2.571811593e+02 0.80 8.452811393e+01 3.977631885e+02 2.403743952e+02 0.82 8.032725505e+01 3.702620578e+02 2.245252464e+02 0.84 7.632876985e+01 3.443990532e+02 2.095971053e+02 0.86 7.252309805e+01 3.201112274e+02 1.955536384e+02 0.88 6.890100742e+01 2.973356282e+02 1.823587040e+02 0.90 6.531809865e+01 2.760092968e+02 1.699752251e+02 0.92 6.189992465e+01 2.560692584e+02 1.583686081e+02 0.94 5.864967410e+01 2.374525431e+02 1.475036072e+02 0.96 5.555930768e+01 2.200959842e+02 1.373449362e+02 0.98 5.262103283e+01 2.039365727e+02 1.278573813e+02 1.00 4.982751894e+01 1.889127417e+02 1.190060153e+02 1.02 4.717198407e+01 1.749627588e+02 1.107560787e+02 1.04 4.464779211e+01 1.620229425e+02 1.030729739e+02 1.06 4.224864175e+01 1.500310921e+02 9.592221248e+01 1.08 3.996850051e+01 1.389226342e+02 8.926943389e+01 1.10 3.780171427e+01 1.286325052e+02 8.308042014e+01 1.12 3.574289131e+01 1.190874323e+02 7.731671880e+01 1.14 3.378680861e+01 1.102447621e+02 7.195403416e+01 1.16 3.192842325e+01 1.020466668e+02 6.696119637e+01 1.18 3.016310868e+01 9.444595895e+01 6.231215550e+01 1.20 2.848645739e+01 8.740467569e+01 5.798536532e+01 1.22 2.689414811e+01 8.087349767e+01 5.395384516e+01 1.24 2.538207221e+01 7.482380807e+01 5.020110363e+01 1.26 2.394636810e+01 6.921711718e+01 4.670586195e+01 1.28 2.258338834e+01 6.402172038e+01 4.345013679e+01 1.30 2.128967069e+01 5.921067977e+01 4.041890780e+01 1.32 2.006192705e+01 5.474981816e+01 3.759361767e+01 1.34 1.889681925e+01 5.061896795e+01 3.496267896e+01 1.36 1.779130054e+01 4.679135694e+01 3.251132317e+01 1.38 1.674240492e+01 4.324469192e+01 3.022707895e+01 1.40 1.574731180e+01 3.996066726e+01 2.809948605e+01 1.42 1.480327459e+01 3.691609233e+01 2.611569509e+01 1.44 1.390780673e+01 3.409713514e+01 2.426767394e+01 1.46 1.305849634e+01 3.148551614e+01 2.254521228e+01 1.48 1.225302878e+01 2.906597857e+01 2.093963625e+01 1.50 1.148919211e+01 2.682601313e+01 1.944366270e+01 1.52 1.076492826e+01 2.474958984e+01 1.804838555e+01 1.54 1.007832425e+01 2.282720804e+01 1.674819783e+01 1.56 9.427584687e+00 2.104630686e+01 1.553594301e+01 1.58 8.811003382e+00 1.939570925e+01 1.440558733e+01 1.60 8.226991313e+00 1.786737445e+01 1.335199229e+01 1.62 7.673972439e+00 1.645113240e+01 1.236884572e+01 1.64 7.150541268e+00 1.514074683e+01 1.145303660e+01 1.66 6.655192460e+00 1.392787191e+01 1.060028244e+01 1.68 6.186610402e+00 1.280618373e+01 9.806005176e+00 1.70 5.743481867e+00 1.176927483e+01 9.067076051e+00 1.72 5.324597595e+00 1.080951387e+01 8.378058671e+00 1.74 4.928752726e+00 9.922472955e+00 7.734978321e+00 1.76 4.554817779e+00 9.102299709e+00 7.134048814e+00 1.78 4.201725338e+00 8.344158289e+00 6.572713633e+00 1.80 3.868449358e+00 7.643998069e+00 6.048165964e+00 1.82 3.554005886e+00 6.996485085e+00 5.558097020e+00 1.84 3.257435124e+00 6.398577084e+00 5.100923309e+00 1.86 2.977866108e+00 5.846243704e+00 4.674522134e+00 1.88 2.714443033e+00 5.336105750e+00 4.277095102e+00 1.90 2.466366486e+00 4.865342388e+00 3.907206717e+00 1.92 2.232832057e+00 4.430446202e+00 3.562884222e+00 1.94 2.013112276e+00 4.029259174e+00 3.242492084e+00 1.96 1.806507012e+00 3.658941877e+00 2.944253897e+00 1.98 1.612326181e+00 3.317190932e+00 2.666677251e+00 2.00 1.429944440e+00 3.002147954e+00 2.408512474e+00 2.02 1.258734009e+00 2.710992886e+00 2.168029632e+00 2.04 1.098152977e+00 2.443345611e+00 1.944797178e+00 2.06 9.476067126e-01 2.197816599e+00 1.737788112e+00 2.08 8.065971313e-01 1.973497306e+00 1.546255597e+00 2.10 6.746156400e-01 1.769989560e+00 1.369746729e+00 2.12 5.511503544e-01 1.590818725e+00 1.209785828e+00 2.14 4.358038722e-01 1.425720728e+00 1.060964182e+00 2.16 3.281041042e-01 1.274430397e+00 9.228991094e-01 2.18 2.276643883e-01 1.125165856e+00 7.893474202e-01 2.20 1.340717249e-01 9.560468128e-01 6.488592814e-01 2.22 4.696322079e-02 7.358248003e-01 4.862561417e-01 2.24 -3.400709210e-02 4.814107875e-01 3.099718365e-01 2.26 -1.091917541e-01 1.598966736e-01 1.034967714e-01 2.28 -1.789005753e-01 -1.904098192e-01 -1.138038205e-01 2.30 -2.434479058e-01 -4.686199114e-01 -2.917535378e-01 2.32 -3.030988514e-01 -5.016304807e-01 -3.441091576e-01 2.34 -3.581438723e-01 -4.630964934e-01 -3.578652697e-01 2.36 -4.088356846e-01 -4.536140325e-01 -3.834750100e-01 2.38 -4.554328534e-01 -4.914538886e-01 -4.301597280e-01 2.40 -4.981595789e-01 -5.249425997e-01 -4.722342481e-01 2.42 -5.372534429e-01 -5.196374819e-01 -4.926992136e-01 2.44 -5.729206784e-01 -5.057104982e-01 -5.067605121e-01 2.46 -6.053417287e-01 -4.986778238e-01 -5.223255537e-01 2.48 -6.347331540e-01 -5.009433102e-01 -5.407216438e-01 2.50 -6.612644800e-01 -5.038589431e-01 -5.577505015e-01 2.52 -6.850934726e-01 -5.015692747e-01 -5.705751651e-01 2.54 -7.064074772e-01 -4.982916309e-01 -5.814272349e-01 2.56 -7.253541617e-01 -4.956597488e-01 -5.912133788e-01 2.58 -7.420624206e-01 -4.938983622e-01 -6.001448304e-01 2.60 -7.566841785e-01 -4.920528189e-01 -6.078295189e-01 2.62 -7.693751919e-01 -4.894305981e-01 -6.139975786e-01 2.64 -7.802046398e-01 -4.865428967e-01 -6.189926277e-01 2.66 -7.893245875e-01 -4.835945376e-01 -6.229708916e-01 2.68 -7.968468448e-01 -4.806171227e-01 -6.314584691e-01 2.70 -8.028820615e-01 -4.774977357e-01 -6.317378763e-01 2.72 -8.075033612e-01 -4.741284066e-01 -6.312778397e-01 2.74 -8.108037999e-01 -4.706401189e-01 -6.301018144e-01 2.76 -8.129140480e-01 -4.671635012e-01 -6.282369818e-01 2.78 -8.138836965e-01 -4.636671906e-01 -6.257278873e-01 2.80 -8.138073793e-01 -4.599812882e-01 -6.225876053e-01 2.82 -8.127522985e-01 -4.558349648e-01 -6.188535590e-01 2.84 -8.107847796e-01 -4.515467030e-01 -6.145367845e-01 2.86 -8.079782425e-01 -4.473626434e-01 -6.096793587e-01 2.88 -8.043892616e-01 -4.432814125e-01 -6.043005368e-01 2.90 -8.001085429e-01 -4.390962182e-01 -5.984222195e-01 2.92 -7.951593336e-01 -4.345617637e-01 -5.920619819e-01 2.94 -7.895976046e-01 -4.299331484e-01 -5.852426658e-01 2.96 -7.834732645e-01 -4.253923905e-01 -5.779958847e-01 2.98 -7.768542773e-01 -4.209355282e-01 -5.703293077e-01 3.00 -7.697565805e-01 -4.164055591e-01 -5.622631296e-01 3.02 -7.622388097e-01 -4.116200334e-01 -5.538143923e-01 3.04 -7.543374980e-01 -4.067593096e-01 -5.450145423e-01 3.06 -7.461061786e-01 -4.019374274e-01 -5.358712448e-01 3.08 -7.375502256e-01 -3.971610207e-01 -5.264006411e-01 3.10 -7.287118465e-01 -3.923486845e-01 -5.166283583e-01 3.12 -7.196313505e-01 -3.873962333e-01 -5.065665258e-01 3.14 -7.103363249e-01 -3.824359094e-01 -4.962150806e-01 3.16 -7.008431396e-01 -3.775642521e-01 -4.856273015e-01 3.18 -6.911825501e-01 -3.727911654e-01 -4.751212539e-01 3.20 -6.813788519e-01 -3.680567392e-01 -4.649082792e-01 3.22 -6.714396200e-01 -3.632999958e-01 -4.549930568e-01 3.24 -6.614100078e-01 -3.585895634e-01 -4.453585150e-01 3.26 -6.512966299e-01 -3.539754518e-01 -4.360015610e-01 3.28 -6.411365039e-01 -3.494575437e-01 -4.269184313e-01 3.30 -6.308974522e-01 -3.449951086e-01 -4.181015250e-01 3.32 -6.206577314e-01 -3.405353123e-01 -4.095568387e-01 3.34 -6.103854724e-01 -3.361396527e-01 -4.012583755e-01 3.36 -6.001265425e-01 -3.318757153e-01 -3.932224136e-01 3.38 -5.898455346e-01 -3.277187746e-01 -3.854293974e-01 3.40 -5.796144154e-01 -3.235694419e-01 -3.778864882e-01 3.42 -5.694068742e-01 -3.192966815e-01 -3.705774908e-01 3.44 -5.592542765e-01 -3.150129108e-01 -3.634953017e-01 3.46 -5.491363512e-01 -3.107751323e-01 -3.566441883e-01 3.48 -5.390867839e-01 -3.065890239e-01 -3.500074568e-01 3.50 -5.291164420e-01 -3.024216633e-01 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