# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2003--Lee-B-J-Shim-J-H-Baskes-M-I--Al # implementation = 2003--Lee-B-J--Al--LAMMPS--ipr1 # composition = Al # 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 2024-11-27 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 1.706690321e+02 nan nan nan nan 0.74 nan nan nan nan nan 1.616610063e+02 nan nan nan nan 0.76 nan nan nan nan nan 1.531024159e+02 nan nan 1.997636335e+02 nan 0.78 nan nan nan nan nan 1.449712368e+02 nan nan 1.875735576e+02 nan 0.80 nan nan nan nan nan 1.372465318e+02 nan nan 1.760873767e+02 nan 0.82 nan nan nan nan nan 1.299083951e+02 nan nan 1.652652367e+02 nan 0.84 nan 3.068456852e+02 nan nan nan 1.229378995e+02 2.481364348e+02 nan 1.550695272e+02 2.016634726e+02 0.86 nan 2.883417197e+02 nan nan nan 1.163170474e+02 2.335131036e+02 nan 1.454647544e+02 1.902054139e+02 0.88 nan 2.708875817e+02 nan nan nan 1.100287229e+02 2.197017375e+02 nan 1.364174226e+02 1.793565488e+02 0.90 nan 2.544257251e+02 nan nan nan 1.040566481e+02 2.066584902e+02 nan 1.278959211e+02 1.690853465e+02 0.92 nan 2.389016890e+02 2.972262619e+02 nan nan 9.838534066e+01 1.943418452e+02 2.907072299e+02 1.198704183e+02 1.593618916e+02 0.94 2.889734350e+02 2.242639340e+02 2.806560710e+02 2.891618025e+02 2.893501699e+02 9.300007388e+01 1.827124933e+02 2.748778860e+02 1.123127616e+02 1.501578015e+02 0.96 2.735470279e+02 2.104636873e+02 2.649522678e+02 2.737316180e+02 2.739162081e+02 8.788683909e+01 1.717332167e+02 2.598526456e+02 1.051963825e+02 1.414461481e+02 0.98 2.588881976e+02 1.974547965e+02 2.500712664e+02 2.590690756e+02 2.592499535e+02 8.303230985e+01 1.613687789e+02 2.455923625e+02 9.849620822e+01 1.332013831e+02 1.00 2.449603780e+02 1.851935905e+02 2.359716093e+02 2.451376081e+02 2.453148382e+02 7.842380804e+01 1.515858205e+02 2.320597352e+02 9.218857675e+01 1.253992676e+02 1.02 2.317286873e+02 1.736387481e+02 2.226138665e+02 2.319023327e+02 2.320759782e+02 7.404927178e+01 1.423527601e+02 2.192192227e+02 8.625115808e+01 1.180168053e+02 1.04 2.191598522e+02 1.627511733e+02 2.099605383e+02 2.193299754e+02 2.195000985e+02 6.989722495e+01 1.336397010e+02 2.070369631e+02 8.066287909e+01 1.110321787e+02 1.06 2.072221365e+02 1.524938778e+02 1.979759637e+02 2.073887986e+02 2.075554608e+02 6.595674834e+01 1.254183420e+02 1.954806972e+02 7.540385293e+01 1.044246890e+02 1.08 1.958852714e+02 1.428318691e+02 1.866262324e+02 1.960485329e+02 1.962117944e+02 6.221745226e+01 1.176618937e+02 1.845196939e+02 7.045531238e+01 9.817469883e+01 1.10 1.851203902e+02 1.337320442e+02 1.758791010e+02 1.852803105e+02 1.854402309e+02 5.866945057e+01 1.103449983e+02 1.741246803e+02 6.579954693e+01 9.226357812e+01 1.12 1.748999651e+02 1.251630903e+02 1.657039135e+02 1.750566027e+02 1.752132402e+02 5.530333602e+01 1.034436542e+02 1.642677743e+02 6.141984341e+01 8.667365262e+01 1.14 1.651977465e+02 1.170953888e+02 1.560715246e+02 1.653511590e+02 1.655045714e+02 5.211015687e+01 9.693514438e+01 1.549224205e+02 5.730043003e+01 8.138815503e+01 1.16 1.559887061e+02 1.095009261e+02 1.469542279e+02 1.561389501e+02 1.562891941e+02 4.908139465e+01 9.079796865e+01 1.460633286e+02 5.342642344e+01 7.639117869e+01 1.18 1.472489813e+02 1.023532080e+02 1.383256866e+02 1.473961126e+02 1.475432439e+02 4.620894312e+01 8.501177902e+01 1.376664152e+02 4.978377892e+01 7.166763363e+01 1.20 1.389558226e+02 9.562717925e+01 1.301608670e+02 1.390998961e+02 1.392439697e+02 4.348508820e+01 7.955731894e+01 1.297087474e+02 4.635924328e+01 6.720320488e+01 1.22 1.310875433e+02 8.929914651e+01 1.224359767e+02 1.312286132e+02 1.313696830e+02 4.090248900e+01 7.441636550e+01 1.221684899e+02 4.314031043e+01 6.298431290e+01 1.24 1.236234716e+02 8.334670644e+01 1.151284041e+02 1.237615909e+02 1.238997102e+02 3.845415969e+01 6.957167466e+01 1.150248538e+02 4.011517943e+01 5.899807599e+01 1.26 1.165439040e+02 7.774867670e+01 1.082166614e+02 1.166791251e+02 1.168143463e+02 3.613345240e+01 6.500692943e+01 1.082580478e+02 3.727271499e+01 5.523227473e+01 1.28 1.098300619e+02 7.248503104e+01 1.016803307e+02 1.099624364e+02 1.100948109e+02 3.393404084e+01 6.070669071e+01 1.018492321e+02 3.460241005e+01 5.167531811e+01 1.30 1.034640492e+02 6.753683759e+01 9.550001171e+01 1.035936277e+02 1.037232063e+02 3.184990483e+01 5.665635069e+01 9.578047366e+01 3.209435058e+01 4.831621151e+01 1.32 9.742881219e+01 6.288620047e+01 8.965727285e+01 9.755564470e+01 9.768247721e+01 2.987531554e+01 5.284208881e+01 9.003470408e+01 2.973918230e+01 4.514452621e+01 1.34 9.170810135e+01 5.851620451e+01 8.413460399e+01 9.183223693e+01 9.195637251e+01 2.800482148e+01 4.925082988e+01 8.459567918e+01 2.752807926e+01 4.215037054e+01 1.36 8.628643434e+01 5.441086276e+01 7.891537176e+01 8.640792131e+01 8.652940827e+01 2.623323516e+01 4.587020454e+01 7.944794040e+01 2.545271425e+01 3.932436244e+01 1.38 8.114906110e+01 5.055506689e+01 7.398377692e+01 8.126794701e+01 8.138683291e+01 2.455562042e+01 4.268851170e+01 7.457677796e+01 2.350523079e+01 3.665760346e+01 1.40 7.628193031e+01 4.693454012e+01 6.932481369e+01 7.639826195e+01 7.651459358e+01 2.296728038e+01 3.969468301e+01 6.996819578e+01 2.167821672e+01 3.414165410e+01 1.42 7.167165736e+01 4.353579264e+01 6.492423111e+01 7.178548076e+01 7.189930417e+01 2.146374593e+01 3.687824921e+01 6.560887790e+01 1.996467931e+01 3.176851032e+01 1.44 6.730549375e+01 4.034607939e+01 6.076849609e+01 6.741685422e+01 6.752821469e+01 2.004076487e+01 3.422930819e+01 6.148615651e+01 1.835802171e+01 2.953058139e+01 1.46 6.317129786e+01 3.735336005e+01 5.684475841e+01 6.328023997e+01 6.338918208e+01 1.869429148e+01 3.173849479e+01 5.758798143e+01 1.685202077e+01 2.742066872e+01 1.48 5.925750702e+01 3.454626118e+01 5.314081718e+01 5.936407461e+01 5.947064221e+01 1.742047663e+01 2.939695218e+01 5.390289094e+01 1.544080603e+01 2.543194587e+01 1.50 5.555311081e+01 3.191404027e+01 4.964508911e+01 5.565734704e+01 5.576158327e+01 1.621565842e+01 2.719630473e+01 5.041998403e+01 1.411883998e+01 2.355793957e+01 1.52 5.204762564e+01 2.944655178e+01 4.634657808e+01 5.214957294e+01 5.225152024e+01 1.507635319e+01 2.512863233e+01 4.712889383e+01 1.288089935e+01 2.179251162e+01 1.54 4.873107030e+01 2.713421491e+01 4.323484636e+01 4.883077044e+01 4.893047057e+01 1.399924699e+01 2.318644605e+01 4.401976237e+01 1.172205751e+01 2.012984184e+01 1.56 4.559394282e+01 2.496798309e+01 4.029998709e+01 4.569143686e+01 4.578893091e+01 1.298118749e+01 2.136266510e+01 4.108321639e+01 1.063766777e+01 1.856441179e+01 1.58 4.262719816e+01 2.293931510e+01 3.753259810e+01 4.272252654e+01 4.281785491e+01 1.201917622e+01 1.965059502e+01 3.831034432e+01 9.623347726e+00 1.709098937e+01 1.60 3.982222709e+01 2.104014768e+01 3.492375700e+01 3.991542954e+01 4.000863199e+01 1.111036127e+01 1.804390696e+01 3.569267435e+01 8.674964389e+00 1.570461417e+01 1.62 3.717083587e+01 1.926286964e+01 3.246499748e+01 3.726195150e+01 3.735306713e+01 1.025203021e+01 1.653661814e+01 3.322215348e+01 7.788620190e+00 1.440058359e+01 1.64 3.466522693e+01 1.760029729e+01 3.014828672e+01 3.475429420e+01 3.484336148e+01 9.441603479e+00 1.512307330e+01 3.089112752e+01 6.960639759e+00 1.317443966e+01 1.66 3.229798040e+01 1.604565119e+01 2.796600390e+01 3.238503715e+01 3.247209391e+01 8.676627991e+00 1.379792709e+01 2.869232202e+01 6.187557445e+00 1.202195653e+01 1.68 3.006203649e+01 1.459253416e+01 2.591091975e+01 3.014711994e+01 3.023220339e+01 7.954771110e+00 1.255612749e+01 2.661882417e+01 5.466105531e+00 1.093912860e+01 1.70 2.795067862e+01 1.323491042e+01 2.397617708e+01 2.803382537e+01 2.811697212e+01 7.273814871e+00 1.139290002e+01 2.466406538e+01 4.793203112e+00 9.922159236e+00 1.72 2.595751740e+01 1.196708585e+01 2.215527228e+01 2.603876344e+01 2.612000949e+01 6.631650497e+00 1.030373286e+01 2.282180483e+01 4.165945593e+00 8.967450084e+00 1.74 2.407647521e+01 1.078368933e+01 2.044203764e+01 2.415585596e+01 2.423523671e+01 6.026273163e+00 9.284362675e+00 2.108611371e+01 3.581594771e+00 8.071590913e+00 1.76 2.230177163e+01 9.679655018e+00 1.883062463e+01 2.237932190e+01 2.245687217e+01 5.455777017e+00 8.330761264e+00 1.945136014e+01 3.037569480e+00 7.231349981e+00 1.78 2.062790939e+01 8.650205618e+00 1.731548792e+01 2.070366343e+01 2.077941748e+01 4.918350433e+00 7.439122888e+00 1.791219494e+01 2.531436748e+00 6.443664883e+00 1.80 1.904966108e+01 7.690836529e+00 1.589137016e+01 1.912365258e+01 1.919764407e+01 4.412271492e+00 6.605852274e+00 1.646353790e+01 2.060903459e+00 5.705633874e+00 1.82 1.756205640e+01 6.797300834e+00 1.455328760e+01 1.763431846e+01 1.770658052e+01 3.935903670e+00 5.827553258e+00 1.510056483e+01 1.623808474e+00 5.014507626e+00 1.84 1.616036996e+01 5.965595093e+00 1.329651630e+01 1.623093516e+01 1.630150035e+01 3.487691737e+00 5.101018024e+00 1.381869510e+01 1.218115197e+00 4.367681407e+00 1.86 1.484010975e+01 5.191945906e+00 1.211657907e+01 1.490901011e+01 1.497791047e+01 3.066157845e+00 4.423216930e+00 1.261357990e+01 8.419045498e-01 3.762687658e+00 1.88 1.359700603e+01 4.472797184e+00 1.100923305e+01 1.366427304e+01 1.373154005e+01 2.669897808e+00 3.791288864e+00 1.148109087e+01 4.933683494e-01 3.197188943e+00 1.90 1.242700079e+01 3.804798117e+00 9.970457860e+00 1.249266541e+01 1.255833004e+01 2.297577544e+00 3.202532115e+00 1.041730947e+01 1.708030469e-01 2.668971267e+00 1.92 1.132623763e+01 3.184791775e+00 8.996444363e+00 1.139033032e+01 1.145442301e+01 1.947929697e+00 2.654395735e+00 9.418516676e+00 -1.273961786e-01 2.175937721e+00 1.94 1.029105224e+01 2.609804331e+00 8.083583979e+00 1.035360292e+01 1.041615361e+01 1.619750278e+00 2.144471360e+00 8.481183253e+00 -4.027409979e-01 1.716102461e+00 1.96 9.317963113e+00 2.077034864e+00 7.228458508e+00 9.379001232e+00 9.440039350e+00 1.311896107e+00 1.670485460e+00 7.601960481e+00 -6.566551971e-01 1.287584988e+00 1.98 8.403662902e+00 1.583845712e+00 6.427830456e+00 8.463217389e+00 8.522771875e+00 1.023281295e+00 1.230292017e+00 6.777671293e+00 -8.904796487e-01 8.886047170e-01 2.00 7.545010016e+00 1.127753341e+00 5.678633849e+00 7.603109319e+00 7.661208622e+00 7.528745856e-01 8.218655770e-01 6.005301852e+00 -1.105477004e+00 5.174758304e-01 2.02 6.739020681e+00 7.064197174e-01 4.977965485e+00 6.795692770e+00 6.852364858e+00 4.996968812e-01 4.432946911e-01 5.281993515e+00 -1.302836125e+00 1.726023827e-01 2.04 5.982861356e+00 3.176441404e-01 4.323076630e+00 6.038133726e+00 6.093406096e+00 2.628186265e-01 9.277569115e-02 4.605035189e+00 -1.483676264e+00 -1.475263378e-01 2.06 5.273841489e+00 -4.064447836e-02 3.711365117e+00 5.327741170e+00 5.381640851e+00 4.135739936e-02 -2.313931909e-01 3.971856047e+00 -1.649051018e+00 -4.443402155e-01 2.08 4.609406622e+00 -3.703949168e-01 3.140367839e+00 4.661960185e+00 4.714513747e+00 -1.655243839e-01 -5.308173925e-01 3.380018586e+00 -1.799952050e+00 -7.191924876e-01 2.10 3.987131808e+00 -6.734405471e-01 2.607753617e+00 4.038365371e+00 4.089598934e+00 -3.586216554e-01 -8.070112918e-01 2.827212024e+00 -1.937312610e+00 -9.733637125e-01 2.12 3.404715340e+00 -9.515058624e-01 2.111316413e+00 3.454654578e+00 3.504593816e+00 -5.386887789e-01 -1.061403196e+00 2.311246008e+00 -2.062010859e+00 -1.208065536e+00 2.14 2.859972771e+00 -1.206212650e+00 1.648968893e+00 2.908642920e+00 2.957313069e+00 -7.064415337e-01 -1.295340060e+00 1.830044623e+00 -2.174873003e+00 -1.424444264e+00 2.16 2.350831213e+00 -1.439085823e+00 1.218736302e+00 2.398257078e+00 2.445682943e+00 -8.625590049e-01 -1.510091956e+00 1.381640691e+00 -2.276676253e+00 -1.623584259e+00 2.18 1.875323904e+00 -1.651558935e+00 8.187506431e-01 1.921529865e+00 1.967735826e+00 -1.007685384e+00 -1.706856299e+00 9.641703360e-01 -2.368151620e+00 -1.806511152e+00 2.20 1.431585029e+00 -1.844979392e+00 4.472451579e-01 1.476595048e+00 1.521605067e+00 -1.142431683e+00 -1.886761843e+00 5.758678230e-01 -2.449986553e+00 -1.974194905e+00 2.22 1.017844781e+00 -2.020613380e+00 1.025490701e-01 1.061682408e+00 1.105520036e+00 -1.267377370e+00 -2.050872473e+00 2.150606334e-01 -2.522827426e+00 -2.127552705e+00 2.24 6.324246622e-01 -2.179650511e+00 -2.169173990e-01 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