# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Etesami-S-A-Baskes-M-I-Laradji-M-Asadi-E--Pb-Sn # implementation = 2018--Etesami-S-A--Pb-Sn--LAMMPS--ipr1 # composition = Sn # NOTE: These values are for static, unrelaxed structures and use the ideal # b/a and c/a ratios for the crystal structure, not the potential-specific # values. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2022-05-24 r A1--Cu--fcc A15--beta-W A2--W--bcc A3'--alpha-La--d A3--Mg--hcp A4--C--dc A5--beta-Sn A6--In--bct A7--alpha-As Ah--alpha-Po--sc 0.50 nan nan nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan nan nan 0.70 nan nan nan nan nan nan nan nan nan nan 0.72 nan nan nan nan nan nan nan nan nan nan 0.74 nan nan nan nan nan nan nan nan nan nan 0.76 nan nan nan nan nan nan nan nan nan nan 0.78 nan nan nan nan nan nan nan nan nan nan 0.80 nan nan nan nan nan nan nan nan nan nan 0.82 nan nan nan nan nan nan nan nan nan nan 0.84 nan nan nan nan nan 2.715018521e+02 nan nan nan nan 0.86 nan nan nan nan nan 2.580952760e+02 nan nan nan nan 0.88 nan nan nan nan nan 2.452985151e+02 nan nan 3.614113005e+02 nan 0.90 nan nan nan nan nan 2.330851624e+02 nan nan 3.423867172e+02 nan 0.92 nan nan nan nan nan 2.214299179e+02 nan nan 3.243325883e+02 nan 0.94 nan nan nan nan nan 2.103085428e+02 nan nan 3.071998735e+02 nan 0.96 nan 7.738958350e+02 nan nan nan 1.996978163e+02 nan nan 2.909420017e+02 nan 0.98 nan 7.334444897e+02 nan nan nan 1.895754938e+02 4.953769723e+02 nan 2.755147474e+02 3.612136573e+02 1.00 nan 6.950103614e+02 nan nan nan 1.799202668e+02 4.702559221e+02 nan 2.608761130e+02 3.437518208e+02 1.02 nan 6.584957855e+02 nan nan nan 1.707117244e+02 4.463390861e+02 nan 2.469862169e+02 3.270770457e+02 1.04 nan 6.238077313e+02 nan nan nan 1.619303167e+02 4.235705631e+02 nan 2.338071877e+02 3.111553131e+02 1.06 nan 5.908575854e+02 7.073244838e+02 nan nan 1.535573188e+02 4.018969976e+02 7.015978099e+02 2.213030628e+02 2.959540353e+02 1.08 7.031988253e+02 5.595609450e+02 6.731614206e+02 7.030076052e+02 7.028163851e+02 1.455747975e+02 3.812674655e+02 6.685686746e+02 2.094396926e+02 2.814419973e+02 1.10 6.707503037e+02 5.298374207e+02 6.405655377e+02 6.705666993e+02 6.703830950e+02 1.379655781e+02 3.616333644e+02 6.370110787e+02 1.981846497e+02 2.675892992e+02 1.12 6.397185314e+02 5.016104489e+02 6.094671972e+02 6.395422479e+02 6.393659644e+02 1.307132136e+02 3.429483090e+02 6.068617712e+02 1.875071422e+02 2.543673024e+02 1.14 6.100438436e+02 4.748071121e+02 5.797997918e+02 6.098745974e+02 6.097053511e+02 1.238019544e+02 3.251680312e+02 5.780601524e+02 1.773779313e+02 2.417485770e+02 1.16 5.816690252e+02 4.493579680e+02 5.514996144e+02 5.815065433e+02 5.813440613e+02 1.172167193e+02 3.082502846e+02 5.505481643e+02 1.677692532e+02 2.297068521e+02 1.18 5.545392121e+02 4.251968869e+02 5.245057337e+02 5.543832319e+02 5.542272517e+02 1.109430685e+02 2.921547533e+02 5.242701864e+02 1.586547453e+02 2.182169673e+02 1.20 5.286017962e+02 4.022608956e+02 4.987598751e+02 5.284520652e+02 5.283023342e+02 1.049671765e+02 2.768429649e+02 4.991729351e+02 1.500093752e+02 2.072548267e+02 1.22 5.038063348e+02 3.804900297e+02 4.742063064e+02 5.036626100e+02 5.035188853e+02 9.927580683e+01 2.622782073e+02 4.752053676e+02 1.418093738e+02 1.967973553e+02 1.24 4.801044628e+02 3.598271916e+02 4.507917288e+02 4.799665105e+02 4.798285583e+02 9.385628776e+01 2.484254490e+02 4.523185890e+02 1.340321722e+02 1.868224558e+02 1.26 4.574498090e+02 3.402180163e+02 4.284651720e+02 4.573174044e+02 4.571849998e+02 8.869648875e+01 2.352512637e+02 4.304657643e+02 1.266563405e+02 1.773089685e+02 1.28 4.357979156e+02 3.216107424e+02 4.071778940e+02 4.356708424e+02 4.355437692e+02 8.378479802e+01 2.227237571e+02 4.096020330e+02 1.196615309e+02 1.682366323e+02 1.30 4.151061605e+02 3.039560898e+02 3.868832856e+02 4.149842107e+02 4.148622609e+02 7.911010101e+01 2.108124982e+02 3.896844275e+02 1.130284232e+02 1.595860470e+02 1.32 3.953336835e+02 2.872071425e+02 3.675367780e+02 3.952166570e+02 3.950996304e+02 7.466175969e+01 1.994884530e+02 3.706717947e+02 1.067386725e+02 1.513386380e+02 1.34 3.764413143e+02 2.713192375e+02 3.490957554e+02 3.763290186e+02 3.762167229e+02 7.042959276e+01 1.887239210e+02 3.525247214e+02 1.007748608e+02 1.434766213e+02 1.36 3.583915046e+02 2.562498581e+02 3.315194705e+02 3.582837547e+02 3.581760048e+02 6.640385656e+01 1.784924755e+02 3.352054619e+02 9.512044956e+01 1.359829711e+02 1.38 3.411482623e+02 2.419585330e+02 3.147689640e+02 3.410448801e+02 3.409414978e+02 6.257522690e+01 1.687689053e+02 3.186778687e+02 8.975973578e+01 1.288413880e+02 1.40 3.246770879e+02 2.284067395e+02 2.988069876e+02 3.245779022e+02 3.244787164e+02 5.893478149e+01 1.595291599e+02 3.029073270e+02 8.467780968e+01 1.220362686e+02 1.42 3.089449144e+02 2.155578114e+02 2.835979299e+02 3.088497605e+02 3.087546066e+02 5.547398319e+01 1.507502970e+02 2.878606902e+02 7.986051467e+01 1.155526767e+02 1.44 2.939200487e+02 2.033768513e+02 2.691077458e+02 2.938287683e+02 2.937374878e+02 5.218466387e+01 1.424104323e+02 2.735062196e+02 7.529440943e+01 1.093763151e+02 1.46 2.795721162e+02 1.918306466e+02 2.553038889e+02 2.794845570e+02 2.793969977e+02 4.905900901e+01 1.344886913e+02 2.598135258e+02 7.096673173e+01 1.034934991e+02 1.48 2.658720067e+02 1.808875902e+02 2.421552467e+02 2.657880222e+02 2.657040377e+02 4.608954284e+01 1.269651636e+02 2.467535121e+02 6.686536420e+01 9.789113102e+01 1.50 2.527918232e+02 1.705176037e+02 2.296320782e+02 2.527112726e+02 2.526307220e+02 4.326911416e+01 1.198208591e+02 2.342983216e+02 6.297880176e+01 9.255667533e+01 1.52 2.403048324e+02 1.606920657e+02 2.177059553e+02 2.402275802e+02 2.401503281e+02 4.059088272e+01 1.130376663e+02 2.224212848e+02 5.929612072e+01 8.747813532e+01 1.54 2.283854171e+02 1.513837422e+02 2.063497049e+02 2.283113333e+02 2.282372494e+02 3.804830612e+01 1.065983125e+02 2.110968703e+02 5.580694937e+01 8.264403044e+01 1.56 2.170090311e+02 1.425667205e+02 1.955373556e+02 2.169379903e+02 2.168669496e+02 3.563512731e+01 1.004863251e+02 2.003006379e+02 5.250144019e+01 7.804337470e+01 1.58 2.061521549e+02 1.342163471e+02 1.852440847e+02 2.060840368e+02 2.060159188e+02 3.334536257e+01 9.468599612e+01 1.900091921e+02 4.937024331e+01 7.366565589e+01 1.60 1.957922541e+02 1.263091669e+02 1.754461690e+02 1.957269431e+02 1.956616320e+02 3.117328996e+01 8.918234649e+01 1.802001395e+02 4.640448139e+01 6.950081568e+01 1.62 1.859077393e+02 1.188228669e+02 1.661209367e+02 1.858451239e+02 1.857825085e+02 2.911343831e+01 8.396109346e+01 1.708520460e+02 4.359572577e+01 6.553923056e+01 1.64 1.764779268e+02 1.117362216e+02 1.572467217e+02 1.764179001e+02 1.763578734e+02 2.716057660e+01 7.900861866e+01 1.619443973e+02 4.093597378e+01 6.177169354e+01 1.66 1.674830020e+02 1.050290408e+02 1.488028203e+02 1.674254612e+02 1.673679203e+02 2.530970381e+01 7.431193785e+01 1.534575603e+02 3.841762724e+01 5.818939663e+01 1.68 1.589039839e+02 9.868212067e+01 1.407694489e+02 1.588488300e+02 1.587936761e+02 2.355603919e+01 6.985867201e+01 1.453727459e+02 3.603347200e+01 5.478391402e+01 1.70 1.507226903e+02 9.267719634e+01 1.331277041e+02 1.506698283e+02 1.506169663e+02 2.189501290e+01 6.563701972e+01 1.376719738e+02 3.377665856e+01 5.154718598e+01 1.72 1.429217057e+02 8.699689721e+01 1.258595243e+02 1.428710442e+02 1.428203828e+02 2.032225708e+01 6.163573076e+01 1.303380387e+02 3.164068364e+01 4.847150341e+01 1.74 1.354843493e+02 8.162470407e+01 1.189476535e+02 1.354358005e+02 1.353872518e+02 1.883359726e+01 5.784408096e+01 1.233544777e+02 2.961937268e+01 4.554949301e+01 1.76 1.283946449e+02 7.654490840e+01 1.123756053e+02 1.283481244e+02 1.283016040e+02 1.742504413e+01 5.425184815e+01 1.167055386e+02 2.770686323e+01 4.277410314e+01 1.78 1.216372923e+02 7.174257351e+01 1.061276302e+02 1.215927190e+02 1.215481456e+02 1.609278565e+01 5.084928917e+01 1.103761509e+02 2.589758921e+01 4.013859017e+01 1.80 1.151976388e+02 6.720349752e+01 1.001886826e+02 1.151549346e+02 1.151122304e+02 1.483317950e+01 4.762711796e+01 1.043518964e+02 2.418626589e+01 3.763650544e+01 1.82 1.090616531e+02 6.291417813e+01 9.454439089e+01 1.090207431e+02 1.089798330e+02 1.364274584e+01 4.457648463e+01 9.861898189e+01 2.256787569e+01 3.526168278e+01 1.84 1.032158993e+02 5.886177898e+01 8.918102724e+01 1.031767113e+02 1.031375234e+02 1.251816034e+01 4.168895545e+01 9.316421305e+01 2.103765470e+01 3.300822653e+01 1.86 9.764751237e+01 5.503409767e+01 8.408547989e+01 9.760997727e+01 9.757244218e+01 1.145624753e+01 3.895649376e+01 8.797496881e+01 1.959107985e+01 3.087050004e+01 1.88 9.234417478e+01 5.141953523e+01 7.924522597e+01 9.230822600e+01 9.227227723e+01 1.045397446e+01 3.637144177e+01 8.303917735e+01 1.822385674e+01 2.884311466e+01 1.90 8.729409361e+01 4.800706706e+01 7.464830576e+01 8.725966720e+01 8.722524080e+01 9.508444497e+00 3.392650313e+01 7.834529280e+01 1.693190810e+01 2.692091922e+01 1.92 8.248597895e+01 4.478621525e+01 7.028329797e+01 8.245301347e+01 8.242004799e+01 8.616891566e+00 3.161472633e+01 7.388227300e+01 1.571136279e+01 2.509898989e+01 1.94 7.790902303e+01 4.174702219e+01 6.613929612e+01 7.787745942e+01 7.784589582e+01 7.776674460e+00 2.942948881e+01 6.963955818e+01 1.455854543e+01 2.337262051e+01 1.96 7.355288024e+01 3.888002544e+01 6.220588593e+01 7.352266176e+01 7.349244329e+01 6.985271488e+00 2.736448186e+01 6.560705047e+01 1.346996648e+01 2.173731327e+01 1.98 6.940764792e+01 3.617623382e+01 5.847312367e+01 6.937872006e+01 6.934979221e+01 6.240275317e+00 2.541369613e+01 6.177509431e+01 1.244231287e+01 2.018876989e+01 2.00 6.546384799e+01 3.362710456e+01 5.493151546e+01 6.543615837e+01 6.540846875e+01 5.539388022e+00 2.357140781e+01 5.813445769e+01 1.147243908e+01 1.872288298e+01 2.02 6.171240925e+01 3.122452159e+01 5.157199750e+01 6.168590755e+01 6.165940584e+01 4.880416359e+00 2.183216549e+01 5.467631407e+01 1.055735868e+01 1.733572797e+01 2.04 5.814465052e+01 2.896077489e+01 4.838591705e+01 5.811928837e+01 5.809392623e+01 4.261267225e+00 2.019077757e+01 5.139222522e+01 9.694236304e+00 1.602355524e+01 2.06 5.475226429e+01 2.682854071e+01 4.536501438e+01 5.472799526e+01 5.470372623e+01 3.679943311e+00 1.864230021e+01 4.827412456e+01 8.880379996e+00 1.478278258e+01 2.08 5.152730121e+01 2.482086286e+01 4.250140536e+01 5.150408068e+01 5.148086014e+01 3.134538939e+00 1.718202593e+01 4.531430143e+01 8.113234008e+00 1.360998807e+01 2.10 4.846215513e+01 2.293113479e+01 3.978756489e+01 4.843994022e+01 4.841772532e+01 2.623236073e+00 1.580547261e+01 4.250538578e+01 7.390371896e+00 1.250190315e+01 2.12 4.554954871e+01 2.115308261e+01 3.721631103e+01 4.552829827e+01 4.550704783e+01 2.144300501e+00 1.450837307e+01 3.984033371e+01 6.709490007e+00 1.145540602e+01 2.14 4.278251973e+01 1.948074883e+01 3.478078983e+01 4.276219420e+01 4.274186867e+01 1.696078166e+00 1.328666510e+01 3.731241346e+01 6.068401272e+00 1.046751534e+01 2.16 4.015440785e+01 1.790847692e+01 3.247446075e+01 4.013496925e+01 4.011553065e+01 1.276991671e+00 1.213648191e+01 3.491519204e+01 5.465029331e+00 9.535384139e+00 2.18 3.765884199e+01 1.643089664e+01 3.029108281e+01 3.764025383e+01 3.762166567e+01 8.855369111e-01 1.105414309e+01 3.264252247e+01 4.897402941e+00 8.656294042e+00 2.20 3.528972814e+01 1.504291001e+01 2.822470128e+01 3.527195539e+01 3.525418264e+01 5.202798640e-01 1.003614592e+01 3.048853145e+01 4.363650674e+00 7.827649693e+00 2.22 3.304123780e+01 1.373967798e+01 2.626963496e+01 3.302424681e+01 3.300725582e+01 1.798535055e-01 9.079157083e+00 2.844760763e+01 3.861995884e+00 7.046973435e+00 2.24 3.090779674e+01 1.251660775e+01 2.442046404e+01 3.089155519e+01 3.087531365e+01 -1.370451375e-01 8.180004771e+00 2.651439035e+01 3.390751924e+00 6.311900206e+00 2.26 2.888407434e+01 1.136934065e+01 2.267201843e+01 2.886855121e+01 2.885302808e+01 -4.316578143e-01 7.335671157e+00 2.468375882e+01 2.948317607e+00 5.620172652e+00 2.28 2.696497333e+01 1.029374068e+01 2.101936666e+01 2.695013882e+01 2.693530431e+01 -7.051677545e-01 6.543285191e+00 2.295082179e+01 2.533172897e+00 4.969636446e+00 2.30 2.514561991e+01 9.285883491e+00 1.945780525e+01 2.513144541e+01 2.511727091e+01 -9.587022571e-01 5.800115738e+00 2.131090764e+01 2.143874816e+00 4.358235803e+00 2.32 2.342135434e+01 8.342046025e+00 1.798284849e+01 2.340781239e+01 2.339427043e+01 -1.193335172e+00 5.103565023e+00 1.975955491e+01 1.779053565e+00 3.784009190e+00 2.34 2.178772189e+01 7.458696535e+00 1.659021874e+01 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