# 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 = Pb # 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 2.885112658e+02 nan nan nan nan 0.86 nan nan nan nan nan 2.748787402e+02 nan nan nan nan 0.88 nan nan nan nan nan 2.618515408e+02 nan nan 3.364725773e+02 nan 0.90 nan nan nan nan nan 2.494038295e+02 nan nan 3.191825089e+02 nan 0.92 nan nan nan nan nan 2.375108420e+02 nan nan 3.027378010e+02 nan 0.94 nan nan nan nan nan 2.261488431e+02 nan nan 2.870982340e+02 nan 0.96 nan 6.226774873e+02 nan nan nan 2.152950858e+02 nan nan 2.722254725e+02 nan 0.98 nan 5.901393162e+02 nan nan nan 2.049277702e+02 4.243669331e+02 nan 2.580829781e+02 3.317236242e+02 1.00 nan 5.592285552e+02 nan nan nan 1.950260051e+02 4.031176694e+02 nan 2.446359255e+02 3.160026269e+02 1.02 nan 5.298660196e+02 nan nan nan 1.855697712e+02 3.828826312e+02 nan 2.318511234e+02 3.009834475e+02 1.04 nan 5.019763068e+02 nan nan nan 1.765398848e+02 3.636147011e+02 nan 2.196969378e+02 2.866358868e+02 1.06 nan 4.754876181e+02 5.720156995e+02 nan nan 1.679179643e+02 3.452689170e+02 5.730204705e+02 2.081432204e+02 2.729310144e+02 1.08 5.746069793e+02 4.503315890e+02 5.444235871e+02 5.746100533e+02 5.746131272e+02 1.596863970e+02 3.278023742e+02 5.460648656e+02 1.971612390e+02 2.598411163e+02 1.10 5.481072284e+02 4.264431266e+02 5.181015131e+02 5.481103002e+02 5.481133719e+02 1.518283075e+02 3.111741325e+02 5.203142895e+02 1.867236118e+02 2.473396444e+02 1.12 5.227685970e+02 4.037602557e+02 4.929927015e+02 5.227716664e+02 5.227747359e+02 1.443275281e+02 2.953451266e+02 4.957166548e+02 1.768042445e+02 2.354011685e+02 1.14 4.985419057e+02 3.822239711e+02 4.690428665e+02 4.985449727e+02 4.985480397e+02 1.371685690e+02 2.802780812e+02 4.722220725e+02 1.673782703e+02 2.240013295e+02 1.16 4.753800087e+02 3.617780976e+02 4.462001038e+02 4.753830731e+02 4.753861375e+02 1.303365910e+02 2.659374298e+02 4.497827608e+02 1.584219932e+02 2.131167959e+02 1.18 4.532377106e+02 3.423691556e+02 4.244147885e+02 4.532407723e+02 4.532438339e+02 1.238173788e+02 2.522892369e+02 4.283529578e+02 1.499128328e+02 2.027252200e+02 1.20 4.320716877e+02 3.239462345e+02 4.036394753e+02 4.320747465e+02 4.320778053e+02 1.175973149e+02 2.393011242e+02 4.078888374e+02 1.418292728e+02 1.928051982e+02 1.22 4.118404116e+02 3.064608702e+02 3.838288052e+02 4.118434674e+02 4.118465232e+02 1.116633556e+02 2.269421998e+02 3.883484294e+02 1.341508114e+02 1.833362312e+02 1.24 3.925040765e+02 2.898669297e+02 3.649394138e+02 3.925071292e+02 3.925101818e+02 1.060030070e+02 2.151829904e+02 3.696915418e+02 1.268579139e+02 1.742986865e+02 1.26 3.740245287e+02 2.741205006e+02 3.469298459e+02 3.740275781e+02 3.740306274e+02 1.006043024e+02 2.039953771e+02 3.518796872e+02 1.199319674e+02 1.656737626e+02 1.28 3.563651995e+02 2.591797859e+02 3.297604720e+02 3.563682454e+02 3.563712914e+02 9.545578091e+01 1.933525338e+02 3.348760118e+02 1.133552384e+02 1.574434545e+02 1.30 3.394910407e+02 2.450050033e+02 3.133934090e+02 3.394940831e+02 3.394971255e+02 9.054646610e+01 1.832288683e+02 3.186452272e+02 1.071108312e+02 1.495905203e+02 1.32 3.233684625e+02 2.315582902e+02 2.977924448e+02 3.233715012e+02 3.233745398e+02 8.586584635e+01 1.735999663e+02 3.031535455e+02 1.011826490e+02 1.420984496e+02 1.34 3.079652738e+02 2.188036118e+02 2.829229654e+02 3.079683086e+02 3.079713434e+02 8.140385553e+01 1.644425378e+02 2.883686164e+02 9.555535678e+01 1.349514332e+02 1.36 2.932506255e+02 2.067066749e+02 2.687518853e+02 2.932536563e+02 2.932566871e+02 7.715085464e+01 1.557343657e+02 2.742594674e+02 9.021434546e+01 1.281343337e+02 1.38 2.791949554e+02 1.952348448e+02 2.552475814e+02 2.791979820e+02 2.792010087e+02 7.309761407e+01 1.474542574e+02 2.607964464e+02 8.514569815e+01 1.216326576e+02 1.40 2.657699355e+02 1.843570663e+02 2.423798291e+02 2.657729578e+02 2.657759802e+02 6.923529671e+01 1.395819977e+02 2.479511663e+02 8.033615775e+01 1.154325285e+02 1.42 2.529484218e+02 1.740437890e+02 2.301197414e+02 2.529514397e+02 2.529544576e+02 6.555544167e+01 1.320983047e+02 2.356964521e+02 7.577309612e+01 1.095206613e+02 1.44 2.407044057e+02 1.642668949e+02 2.184397106e+02 2.407074190e+02 2.407104322e+02 6.204994869e+01 1.249847868e+02 2.240062906e+02 7.144448465e+01 1.038843375e+02 1.46 2.290129673e+02 1.549996308e+02 2.073133530e+02 2.290159758e+02 2.290189843e+02 5.871106313e+01 1.182239026e+02 2.128557812e+02 6.733886624e+01 9.851138161e+01 1.48 2.178502312e+02 1.462165430e+02 1.967154549e+02 2.178532347e+02 2.178562383e+02 5.553136171e+01 1.117989219e+02 2.022210898e+02 6.344532852e+01 9.339013835e+01 1.50 2.071933231e+02 1.378934152e+02 1.866219219e+02 2.071963215e+02 2.071993200e+02 5.250373863e+01 1.056938886e+02 1.920794038e+02 5.975347836e+01 8.850945110e+01 1.52 1.970203292e+02 1.300072096e+02 1.770097302e+02 1.970233224e+02 1.970263156e+02 4.962139243e+01 9.989358553e+01 1.824088892e+02 5.625341756e+01 8.385864084e+01 1.54 1.873102566e+02 1.225360103e+02 1.678568795e+02 1.873132443e+02 1.873162321e+02 4.687781330e+01 9.438350079e+01 1.731886500e+02 5.293571964e+01 7.942748629e+01 1.56 1.780429952e+02 1.154589701e+02 1.591423485e+02 1.780459773e+02 1.780489595e+02 4.426677092e+01 8.914979539e+01 1.643986880e+02 4.979140773e+01 7.520620467e+01 1.58 1.691992817e+02 1.087562590e+02 1.508460519e+02 1.692022581e+02 1.692052345e+02 4.178230280e+01 8.417927259e+01 1.560198660e+02 4.681193348e+01 7.118543333e+01 1.60 1.607606647e+02 1.024090158e+02 1.429487999e+02 1.607636352e+02 1.607666056e+02 3.941870310e+01 7.945934853e+01 1.480338706e+02 4.398915696e+01 6.735621216e+01 1.62 1.527094711e+02 9.639930135e+01 1.354322585e+02 1.527124355e+02 1.527153998e+02 3.717051193e+01 7.497802427e+01 1.404231785e+02 4.131532749e+01 6.370996668e+01 1.64 1.450287741e+02 9.071005477e+01 1.282789122e+02 1.450317322e+02 1.450346903e+02 3.503250503e+01 7.072385895e+01 1.331710223e+02 3.878306533e+01 6.023849182e+01 1.66 1.377023624e+02 8.532505100e+01 1.214720285e+02 1.377053140e+02 1.377082656e+02 3.299968391e+01 6.668594433e+01 1.262613594e+02 3.638534427e+01 5.693393643e+01 1.68 1.307147107e+02 8.022886085e+01 1.149956230e+02 1.307176557e+02 1.307206007e+02 3.106726641e+01 6.285388038e+01 1.196788409e+02 3.411547504e+01 5.378878839e+01 1.70 1.240509513e+02 7.540681269e+01 1.088344269e+02 1.240538895e+02 1.240568277e+02 2.923067762e+01 5.921775202e+01 1.134087825e+02 3.196708940e+01 5.079586033e+01 1.72 1.176968471e+02 7.084495607e+01 1.029738555e+02 1.176997783e+02 1.177027095e+02 2.748554115e+01 5.576810689e+01 1.074371364e+02 2.993412506e+01 4.794827594e+01 1.74 1.116387650e+02 6.653002702e+01 9.739997844e+01 1.116416891e+02 1.116446131e+02 2.582767083e+01 5.249593417e+01 1.017504644e+02 2.801081128e+01 4.523945692e+01 1.76 1.058636517e+02 6.244941501e+01 9.209949044e+01 1.058665684e+02 1.058694851e+02 2.425306269e+01 4.939264431e+01 9.633591222e+01 2.619165514e+01 4.266311032e+01 1.78 1.003590087e+02 5.859113146e+01 8.705968420e+01 1.003619179e+02 1.003648270e+02 2.275788726e+01 4.645004969e+01 9.118118435e+01 2.447142840e+01 4.021321656e+01 1.80 9.511287020e+01 5.494377974e+01 8.226842397e+01 9.511577164e+01 9.511867308e+01 2.133848227e+01 4.366034620e+01 8.627452083e+01 2.284515507e+01 3.788401786e+01 1.82 9.011378038e+01 5.149652667e+01 7.771412038e+01 9.011667390e+01 9.011956742e+01 1.999134556e+01 4.101609562e+01 8.160467430e+01 2.130809948e+01 3.567000718e+01 1.84 8.535077243e+01 4.823907522e+01 7.338570637e+01 8.535365785e+01 8.535654326e+01 1.871312831e+01 3.851020880e+01 7.716088824e+01 1.985575490e+01 3.356591760e+01 1.86 8.081334823e+01 4.516163864e+01 6.927261419e+01 8.081622535e+01 8.081910246e+01 1.750062858e+01 3.613592962e+01 7.293287614e+01 1.848383281e+01 3.156671214e+01 1.88 7.649145882e+01 4.225491582e+01 6.536475334e+01 7.649432744e+01 7.649719605e+01 1.635078509e+01 3.388681967e+01 6.891080153e+01 1.718825246e+01 2.966757404e+01 1.90 7.237548566e+01 3.951006771e+01 6.165248951e+01 7.237834558e+01 7.238120550e+01 1.526067124e+01 3.175674361e+01 6.508525877e+01 1.596513116e+01 2.786389741e+01 1.92 6.845622271e+01 3.691869497e+01 5.812662445e+01 6.845907374e+01 6.846192476e+01 1.422748941e+01 2.973985524e+01 6.144725471e+01 1.481077481e+01 2.615127825e+01 1.94 6.472485927e+01 3.447281664e+01 5.477837668e+01 6.472770120e+01 6.473054313e+01 1.324856548e+01 2.783058416e+01 5.798819112e+01 1.372166902e+01 2.452550591e+01 1.96 6.117296339e+01 3.216484984e+01 5.159936302e+01 6.117579602e+01 6.117862865e+01 1.232134359e+01 2.602362305e+01 5.469984780e+01 1.269447056e+01 2.298255486e+01 1.98 5.779246608e+01 2.998759043e+01 4.858158099e+01 5.779528921e+01 5.779811233e+01 1.144338110e+01 2.431391556e+01 5.157436644e+01 1.172599927e+01 2.151857676e+01 2.00 5.457564616e+01 2.793419457e+01 4.571739195e+01 5.457845956e+01 5.458127297e+01 1.061234374e+01 2.269664468e+01 4.860423515e+01 1.081323027e+01 2.012989298e+01 2.02 5.151511562e+01 2.599816123e+01 4.299950496e+01 5.151791910e+01 5.152072258e+01 9.826001039e+00 2.116722172e+01 4.578227364e+01 9.953286641e+00 1.881298731e+01 2.04 4.860380572e+01 2.417331547e+01 4.042096132e+01 4.860659907e+01 4.860939241e+01 9.082221840e+00 1.972127574e+01 4.310161898e+01 9.143432339e+00 1.756449904e+01 2.06 4.583495358e+01 2.245379252e+01 3.797511986e+01 4.583773658e+01 4.584051957e+01 8.378970082e+00 1.835464347e+01 4.055571202e+01 8.381065517e+00 1.638121632e+01 2.08 4.320208935e+01 2.083402268e+01 3.565564280e+01 4.320486177e+01 4.320763420e+01 7.714300722e+00 1.706335974e+01 3.813828432e+01 7.663712128e+00 1.526006980e+01 2.10 4.069902386e+01 1.930871688e+01 3.345648227e+01 4.070178549e+01 4.070454713e+01 7.086355830e+00 1.584364822e+01 3.584334572e+01 6.989019831e+00 1.419812650e+01 2.12 3.831983683e+01 1.787285294e+01 3.137186740e+01 3.832258746e+01 3.832533808e+01 6.493360848e+00 1.469191275e+01 3.366517227e+01 6.354752188e+00 1.319258399e+01 2.14 3.605886559e+01 1.652166257e+01 2.939629197e+01 3.606160498e+01 3.606434438e+01 5.933621017e+00 1.360472894e+01 3.159829486e+01 5.758783131e+00 1.224076478e+01 2.16 3.391069416e+01 1.525061886e+01 2.752450263e+01 3.391342210e+01 3.391615003e+01 5.405517930e+00 1.257883619e+01 2.963748821e+01 5.199091683e+00 1.134011095e+01 2.18 3.187014287e+01 1.405542447e+01 2.575148760e+01 3.187285912e+01 3.187557537e+01 4.907506249e+00 1.161113010e+01 2.777776032e+01 4.673756936e+00 1.048817898e+01 2.20 2.993225839e+01 1.293200036e+01 2.407246588e+01 2.993496273e+01 2.993766706e+01 4.438110553e+00 1.069865520e+01 2.601434243e+01 4.180953259e+00 9.682634915e+00 2.22 2.809230415e+01 1.187647505e+01 2.248287694e+01 2.809499634e+01 2.809768853e+01 3.995922313e+00 9.838598015e+00 2.434267934e+01 3.718945732e+00 8.921249528e+00 2.24 2.634575116e+01 1.088517442e+01 2.097837083e+01 2.634843096e+01 2.635111077e+01 3.579597000e+00 9.028280442e+00 2.275842021e+01 3.286085793e+00 8.201893879e+00 2.26 2.468826922e+01 9.954611945e+00 1.955479881e+01 2.469093641e+01 2.469360359e+01 3.187851313e+00 8.265153459e+00 2.125740967e+01 2.880807097e+00 7.522534955e+00 2.28 2.311571852e+01 9.081479505e+00 1.820820425e+01 2.311837285e+01 2.312102717e+01 2.819460521e+00 7.546791090e+00 1.983567932e+01 2.501621562e+00 6.881231527e+00 2.30 2.162414150e+01 8.262638527e+00 1.693481406e+01 2.162678273e+01 2.162942396e+01 2.473255918e+00 6.870884657e+00 1.848943970e+01 2.147115599e+00 6.276130171e+00 2.32 2.020975517e+01 7.495111619e+00 1.573103045e+01 2.021238305e+01 2.021501093e+01 2.148122386e+00 6.235237303e+00 1.721507240e+01 1.815946532e+00 5.705461466e+00 2.34 1.886894362e+01 6.776074595e+00 1.459342301e+01 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