# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2010--Lee-E-Lee-B-J--Fe-Al # implementation = 2010--Lee-E--Fe-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 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 2.006275264e+02 nan nan nan nan 0.68 nan nan nan nan nan 1.901272778e+02 nan nan nan nan 0.70 nan nan nan nan nan 1.801496637e+02 nan nan 2.409922963e+02 nan 0.72 nan nan nan nan nan 1.706690326e+02 nan nan 2.264269169e+02 nan 0.74 nan nan nan nan nan 1.616610068e+02 nan nan 2.126998367e+02 nan 0.76 nan nan nan nan nan 1.531024164e+02 nan nan 1.997636341e+02 nan 0.78 nan 3.692819757e+02 nan nan nan 1.449712373e+02 2.973543929e+02 nan 1.875735582e+02 2.400342137e+02 0.80 nan 3.472497537e+02 nan nan nan 1.372465322e+02 2.800068098e+02 nan 1.760873772e+02 2.265418993e+02 0.82 nan 3.264602825e+02 nan nan nan 1.299083955e+02 2.636180371e+02 nan 1.652652372e+02 2.137639588e+02 0.84 nan 3.068456860e+02 3.731232160e+02 nan nan 1.229378999e+02 2.481364355e+02 nan 1.550695276e+02 2.016634732e+02 0.86 3.591496127e+02 2.883417205e+02 3.526052160e+02 3.593537629e+02 3.595579132e+02 1.163170477e+02 2.335131042e+02 3.434409104e+02 1.454647548e+02 1.902054145e+02 0.88 3.402507206e+02 2.708875824e+02 3.331514364e+02 3.404508220e+02 3.406509235e+02 1.100287232e+02 2.197017381e+02 3.249445749e+02 1.364174230e+02 1.793565493e+02 0.90 3.222841417e+02 2.544257258e+02 3.147086619e+02 3.224802638e+02 3.226763859e+02 1.040566484e+02 2.066584908e+02 3.073817581e+02 1.278959215e+02 1.690853470e+02 0.92 3.052057487e+02 2.389016896e+02 2.972262627e+02 3.053979598e+02 3.055901709e+02 9.838534093e+01 1.943418457e+02 2.907072307e+02 1.198704187e+02 1.593618920e+02 0.94 2.889734358e+02 2.242639345e+02 2.806560718e+02 2.891618032e+02 2.893501707e+02 9.300007413e+01 1.827124938e+02 2.748778867e+02 1.123127619e+02 1.501578019e+02 0.96 2.735470287e+02 2.104636879e+02 2.649522685e+02 2.737316187e+02 2.739162088e+02 8.788683933e+01 1.717332171e+02 2.598526463e+02 1.051963828e+02 1.414461485e+02 0.98 2.588881983e+02 1.974547970e+02 2.500712670e+02 2.590690762e+02 2.592499542e+02 8.303231007e+01 1.613687793e+02 2.455923631e+02 9.849620849e+01 1.332013834e+02 1.00 2.449603787e+02 1.851935910e+02 2.359716099e+02 2.451376088e+02 2.453148388e+02 7.842380825e+01 1.515858209e+02 2.320597358e+02 9.218857700e+01 1.253992680e+02 1.02 2.317286879e+02 1.736387485e+02 2.226138670e+02 2.319023333e+02 2.320759788e+02 7.404927198e+01 1.423527605e+02 2.192192232e+02 8.625115832e+01 1.180168057e+02 1.04 2.191598528e+02 1.627511737e+02 2.099605388e+02 2.193299759e+02 2.195000991e+02 6.989722513e+01 1.336397013e+02 2.070369637e+02 8.066287931e+01 1.110321790e+02 1.06 2.072221370e+02 1.524938782e+02 1.979759642e+02 2.073887992e+02 2.075554613e+02 6.595674851e+01 1.254183424e+02 1.954806977e+02 7.540385314e+01 1.044246893e+02 1.08 1.958852719e+02 1.428318694e+02 1.866262329e+02 1.960485334e+02 1.962117949e+02 6.221745242e+01 1.176618940e+02 1.845196943e+02 7.045531257e+01 9.817469910e+01 1.10 1.851203907e+02 1.337320446e+02 1.758791015e+02 1.852803110e+02 1.854402313e+02 5.866945073e+01 1.103449986e+02 1.741246807e+02 6.579954711e+01 9.226357838e+01 1.12 1.748999655e+02 1.251630906e+02 1.657039139e+02 1.750566031e+02 1.752132407e+02 5.530333617e+01 1.034436544e+02 1.642677747e+02 6.141984358e+01 8.667365286e+01 1.14 1.651977469e+02 1.170953890e+02 1.560715250e+02 1.653511594e+02 1.655045718e+02 5.211015701e+01 9.693514463e+01 1.549224209e+02 5.730043018e+01 8.138815526e+01 1.16 1.559887065e+02 1.095009263e+02 1.469542283e+02 1.561389505e+02 1.562891945e+02 4.908139478e+01 9.079796888e+01 1.460633290e+02 5.342642358e+01 7.639117890e+01 1.18 1.472489817e+02 1.023532083e+02 1.383256869e+02 1.473961130e+02 1.475432443e+02 4.620894324e+01 8.501177924e+01 1.376664155e+02 4.978377906e+01 7.166763383e+01 1.20 1.389558229e+02 9.562717947e+01 1.301608673e+02 1.390998965e+02 1.392439700e+02 4.348508832e+01 7.955731914e+01 1.297087477e+02 4.635924341e+01 6.720320507e+01 1.22 1.310875437e+02 8.929914672e+01 1.224359770e+02 1.312286135e+02 1.313696833e+02 4.090248911e+01 7.441636568e+01 1.221684902e+02 4.314031054e+01 6.298431307e+01 1.24 1.236234719e+02 8.334670663e+01 1.151284044e+02 1.237615912e+02 1.238997105e+02 3.845415980e+01 6.957167483e+01 1.150248541e+02 4.011517954e+01 5.899807615e+01 1.26 1.165439043e+02 7.774867688e+01 1.082166617e+02 1.166791254e+02 1.168143466e+02 3.613345250e+01 6.500692960e+01 1.082580481e+02 3.727271509e+01 5.523227488e+01 1.28 1.098300622e+02 7.248503120e+01 1.016803309e+02 1.099624366e+02 1.100948111e+02 3.393404093e+01 6.070669086e+01 1.018492324e+02 3.460241015e+01 5.167531825e+01 1.30 1.034640494e+02 6.753683774e+01 9.550001193e+01 1.035936280e+02 1.037232065e+02 3.184990492e+01 5.665635083e+01 9.578047389e+01 3.209435067e+01 4.831621164e+01 1.32 9.742881243e+01 6.288620061e+01 8.965727306e+01 9.755564494e+01 9.768247745e+01 2.987531562e+01 5.284208894e+01 9.003470429e+01 2.973918238e+01 4.514452634e+01 1.34 9.170810157e+01 5.851620464e+01 8.413460418e+01 9.183223715e+01 9.195637272e+01 2.800482155e+01 4.925083000e+01 8.459567938e+01 2.752807934e+01 4.215037065e+01 1.36 8.628643454e+01 5.441086288e+01 7.891537194e+01 8.640792151e+01 8.652940848e+01 2.623323523e+01 4.587020465e+01 7.944794058e+01 2.545271432e+01 3.932436254e+01 1.38 8.114906129e+01 5.055506700e+01 7.398377708e+01 8.126794719e+01 8.138683310e+01 2.455562048e+01 4.268851180e+01 7.457677813e+01 2.350523085e+01 3.665760356e+01 1.40 7.628193049e+01 4.693454023e+01 6.932481385e+01 7.639826212e+01 7.651459376e+01 2.296728044e+01 3.969468311e+01 6.996819594e+01 2.167821678e+01 3.414165419e+01 1.42 7.167165753e+01 4.353579274e+01 6.492423125e+01 7.178548093e+01 7.189930433e+01 2.146374599e+01 3.687824930e+01 6.560887805e+01 1.996467936e+01 3.176851041e+01 1.44 6.730549391e+01 4.034607948e+01 6.076849623e+01 6.741685438e+01 6.752821485e+01 2.004076492e+01 3.422930827e+01 6.148615665e+01 1.835802176e+01 2.953058147e+01 1.46 6.317129800e+01 3.735336013e+01 5.684475853e+01 6.328024011e+01 6.338918222e+01 1.869429153e+01 3.173849487e+01 5.758798156e+01 1.685202082e+01 2.742066879e+01 1.48 5.925750715e+01 3.454626126e+01 5.314081730e+01 5.936407474e+01 5.947064234e+01 1.742047667e+01 2.939695225e+01 5.390289106e+01 1.544080607e+01 2.543194594e+01 1.50 5.555311094e+01 3.191404034e+01 4.964508921e+01 5.565734716e+01 5.576158339e+01 1.621565847e+01 2.719630480e+01 5.041998414e+01 1.411884002e+01 2.355793963e+01 1.52 5.204762575e+01 2.944655184e+01 4.634657818e+01 5.214957305e+01 5.225152035e+01 1.507635323e+01 2.512863239e+01 4.712889394e+01 1.288089939e+01 2.179251168e+01 1.54 4.873107041e+01 2.713421496e+01 4.323484646e+01 4.883077055e+01 4.893047068e+01 1.399924703e+01 2.318644610e+01 4.401976247e+01 1.172205754e+01 2.012984190e+01 1.56 4.559394292e+01 2.496798314e+01 4.029998718e+01 4.569143696e+01 4.578893101e+01 1.298118752e+01 2.136266515e+01 4.108321648e+01 1.063766780e+01 1.856441185e+01 1.58 4.262719826e+01 2.293931514e+01 3.753259818e+01 4.272252663e+01 4.281785500e+01 1.201917626e+01 1.965059506e+01 3.831034440e+01 9.623347756e+00 1.709098942e+01 1.60 3.982222718e+01 2.104014772e+01 3.492375707e+01 3.991542963e+01 4.000863208e+01 1.111036130e+01 1.804390700e+01 3.569267443e+01 8.674964416e+00 1.570461422e+01 1.62 3.717083595e+01 1.926286968e+01 3.246499755e+01 3.726195158e+01 3.735306721e+01 1.025203024e+01 1.653661819e+01 3.322215356e+01 7.788620216e+00 1.440058363e+01 1.64 3.466522700e+01 1.760029733e+01 3.014828678e+01 3.475429428e+01 3.484336155e+01 9.441603505e+00 1.512307334e+01 3.089112759e+01 6.960639783e+00 1.317443970e+01 1.66 3.229798047e+01 1.604565123e+01 2.796600396e+01 3.238503722e+01 3.247209398e+01 8.676628015e+00 1.379792712e+01 2.869232209e+01 6.187557467e+00 1.202195657e+01 1.68 3.006203655e+01 1.459253420e+01 2.591091980e+01 3.014712000e+01 3.023220345e+01 7.954771132e+00 1.255612752e+01 2.661882422e+01 5.466105551e+00 1.093912863e+01 1.70 2.795067869e+01 1.323491045e+01 2.397617713e+01 2.803382543e+01 2.811697218e+01 7.273814889e+00 1.139290005e+01 2.466406543e+01 4.793203131e+00 9.922159268e+00 1.72 2.595751746e+01 1.196708588e+01 2.215527233e+01 2.603876350e+01 2.612000955e+01 6.631650357e+00 1.030373289e+01 2.282180489e+01 4.165945611e+00 8.967450114e+00 1.74 2.407647526e+01 1.078368936e+01 2.044203769e+01 2.415585601e+01 2.423523676e+01 6.026272849e+00 9.284362701e+00 2.108611376e+01 3.581594787e+00 8.071590940e+00 1.76 2.230177168e+01 9.679655040e+00 1.883062468e+01 2.237932195e+01 2.245687222e+01 5.455776711e+00 8.330761288e+00 1.945136019e+01 3.037569494e+00 7.231350006e+00 1.78 2.062790944e+01 8.650205637e+00 1.731548795e+01 2.070366348e+01 2.077941752e+01 4.918350135e+00 7.439122910e+00 1.791219498e+01 2.531436760e+00 6.443664906e+00 1.80 1.904966113e+01 7.690836547e+00 1.589137019e+01 1.912365262e+01 1.919764412e+01 4.412271202e+00 6.605852295e+00 1.646353794e+01 2.060903471e+00 5.705633895e+00 1.82 1.756205644e+01 6.797300849e+00 1.455328763e+01 1.763431850e+01 1.770658056e+01 3.935903387e+00 5.827553276e+00 1.510056486e+01 1.623808485e+00 5.014507645e+00 1.84 1.616037000e+01 5.965595107e+00 1.329651633e+01 1.623093519e+01 1.630150039e+01 3.487691461e+00 5.101018041e+00 1.381869514e+01 1.218115207e+00 4.367681425e+00 1.86 1.484010978e+01 5.191945918e+00 1.211657910e+01 1.490901014e+01 1.497791050e+01 3.066157577e+00 4.423216946e+00 1.261357993e+01 8.419045588e-01 3.762687674e+00 1.88 1.359700606e+01 4.472797196e+00 1.100923308e+01 1.366427307e+01 1.373154008e+01 2.669897546e+00 3.791288878e+00 1.148109090e+01 4.933683575e-01 3.197188959e+00 1.90 1.242700081e+01 3.804798128e+00 9.970457882e+00 1.249266544e+01 1.255833007e+01 2.297577290e+00 3.202532128e+00 1.041730950e+01 1.708030544e-01 2.668971281e+00 1.92 1.132623766e+01 3.184791784e+00 8.996444383e+00 1.139033035e+01 1.145442304e+01 1.947929456e+00 2.654395747e+00 9.418516698e+00 -1.273961719e-01 2.175937734e+00 1.94 1.029105226e+01 2.609804340e+00 8.083583998e+00 1.035360295e+01 1.041615364e+01 1.619750201e+00 2.144471371e+00 8.481183272e+00 -4.027409917e-01 1.716102473e+00 1.96 9.317963134e+00 2.077034872e+00 7.228458524e+00 9.379001253e+00 9.440039371e+00 1.311896114e+00 1.670485470e+00 7.601960499e+00 -6.566551917e-01 1.287584998e+00 1.98 8.403662922e+00 1.583845719e+00 6.427830471e+00 8.463217409e+00 8.522771895e+00 1.023281302e+00 1.230292025e+00 6.777671310e+00 -8.904796434e-01 8.886047270e-01 2.00 7.545010033e+00 1.127753347e+00 5.678633862e+00 7.603109336e+00 7.661208639e+00 7.528745914e-01 8.218655851e-01 6.005301867e+00 -1.105476999e+00 5.174758391e-01 2.02 6.739020698e+00 7.064197230e-01 4.977965498e+00 6.795692787e+00 6.852364875e+00 4.996968868e-01 4.432946986e-01 5.281993529e+00 -1.302836222e+00 1.726023911e-01 2.04 5.982861371e+00 3.176441453e-01 4.323076641e+00 6.038133741e+00 6.093406111e+00 2.628187723e-01 9.277569772e-02 4.605035202e+00 -1.483745608e+00 -1.475263303e-01 2.06 5.273841503e+00 -4.064447396e-02 3.711365128e+00 5.327741184e+00 5.381640865e+00 4.164082994e-02 -2.313931846e-01 3.971856058e+00 -1.649575127e+00 -4.443402084e-01 2.08 4.609406635e+00 -3.703949129e-01 3.140367849e+00 4.661960197e+00 4.714513760e+00 -1.634830504e-01 -5.308173868e-01 3.380018596e+00 -1.800575604e+00 -7.191924811e-01 2.10 3.987131820e+00 -6.734405435e-01 2.607753626e+00 4.038365383e+00 4.089598946e+00 -3.565315764e-01 -8.070112867e-01 2.827212034e+00 -1.937952227e+00 -9.733637065e-01 2.12 3.404715351e+00 -9.515058593e-01 2.111316421e+00 3.454654589e+00 3.504593827e+00 -5.372605861e-01 -1.061403191e+00 2.311246017e+00 -2.062707364e+00 -1.208065530e+00 2.14 2.859972781e+00 -1.206212647e+00 1.648968900e+00 2.908642930e+00 2.957313079e+00 -7.056320582e-01 -1.295340056e+00 1.830044632e+00 -2.175552537e+00 -1.424444260e+00 2.16 2.350831222e+00 -1.439085820e+00 1.218736308e+00 2.398257087e+00 2.445682952e+00 -8.623268088e-01 -1.510091952e+00 1.381640698e+00 -2.277339484e+00 -1.623584254e+00 2.18 1.875323912e+00 -1.651558932e+00 8.187506492e-01 1.921529873e+00 1.967735834e+00 -1.007990762e+00 -1.706856295e+00 9.641703424e-01 -2.368805785e+00 -1.806511148e+00 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