# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2003--Li-Y-Siegel-D-J-Adams-J-B-Liu-X-Y--Ta # implementation = 2003--Li-Y-H--Ta--LAMMPS--ipr1 # composition = Ta # 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 1.242756404e+03 nan 0.58 nan nan nan nan nan nan nan nan 1.114052986e+03 nan 0.60 nan nan nan nan nan 8.740697198e+02 nan nan 1.002897622e+03 nan 0.62 nan nan nan nan nan 7.887186508e+02 nan nan 9.064904457e+02 nan 0.64 nan nan nan nan nan 7.145245231e+02 nan nan 8.227028075e+02 nan 0.66 nan nan nan nan nan 6.475776401e+02 nan nan 7.485745007e+02 nan 0.68 nan nan nan nan nan 5.870659573e+02 nan nan 6.831377626e+02 nan 0.70 nan 8.412813565e+02 nan 1.202176478e+03 1.203358686e+03 5.343542900e+02 nan nan 6.250992043e+02 8.410166163e+02 0.72 nan 7.708478790e+02 nan 1.102294099e+03 1.102315925e+03 4.892333333e+02 7.817155878e+02 nan 5.727645734e+02 7.716882362e+02 0.74 nan 7.063667303e+02 nan 1.011779164e+03 1.010797566e+03 4.489069577e+02 7.179121738e+02 nan 5.257794822e+02 7.100765341e+02 0.76 nan 6.509703301e+02 nan 9.309441463e+02 9.303851439e+02 4.111580940e+02 6.609619006e+02 nan 4.833687749e+02 6.544545731e+02 0.78 8.593969673e+02 6.023346650e+02 7.836920946e+02 8.596349422e+02 8.592964811e+02 3.762272476e+02 6.098378089e+02 8.109524898e+02 4.452951431e+02 6.040702312e+02 0.80 7.977528928e+02 5.567945172e+02 7.233534953e+02 7.963111277e+02 7.962682002e+02 3.451564579e+02 5.651090241e+02 7.505178315e+02 4.105927131e+02 5.573776966e+02 0.82 7.394634123e+02 5.134053470e+02 6.720781775e+02 7.384939836e+02 7.386010408e+02 3.190582460e+02 5.252569481e+02 6.933618981e+02 3.779407006e+02 5.154047212e+02 0.84 6.837604313e+02 4.742063138e+02 6.266573248e+02 6.836946306e+02 6.838730259e+02 2.978861535e+02 4.882541056e+02 6.404509705e+02 3.474014066e+02 4.792596415e+02 0.86 6.319888587e+02 4.402712156e+02 5.827294462e+02 6.328160610e+02 6.331949324e+02 2.787682704e+02 4.532451252e+02 5.938328086e+02 3.201505167e+02 4.457811921e+02 0.88 5.867194827e+02 4.111120537e+02 5.410225095e+02 5.878078256e+02 5.882147473e+02 2.606415069e+02 4.203098375e+02 5.537716515e+02 2.966737175e+02 4.129062297e+02 0.90 5.487297104e+02 3.854128786e+02 5.036736324e+02 5.488820566e+02 5.491155360e+02 2.436838312e+02 3.896956955e+02 5.182934780e+02 2.757221002e+02 3.817879569e+02 0.92 5.147292620e+02 3.611913807e+02 4.712703033e+02 5.143836298e+02 5.143512519e+02 2.279940448e+02 3.619356382e+02 4.858007753e+02 2.563686051e+02 3.533892207e+02 0.94 4.835914598e+02 3.380528477e+02 4.424943634e+02 4.828891030e+02 4.822545514e+02 2.135338556e+02 3.369834061e+02 4.556156808e+02 2.387875815e+02 3.284734341e+02 0.96 4.545401487e+02 3.147873318e+02 4.155567891e+02 4.534765030e+02 4.524106158e+02 2.001357324e+02 3.141542223e+02 4.266691822e+02 2.230593578e+02 3.064859810e+02 0.98 4.257426502e+02 2.919500572e+02 3.892266878e+02 4.252654733e+02 4.246333219e+02 1.871863280e+02 2.929477884e+02 3.990413167e+02 2.091769413e+02 2.858312868e+02 1.00 3.977826583e+02 2.713165572e+02 3.643961879e+02 3.981790985e+02 3.983652990e+02 1.750517379e+02 2.728338121e+02 3.735960491e+02 1.964295898e+02 2.660796098e+02 1.02 3.723517839e+02 2.530731484e+02 3.417143650e+02 3.730105259e+02 3.735914577e+02 1.639355752e+02 2.538240086e+02 3.504919670e+02 1.846487933e+02 2.481972398e+02 1.04 3.499744665e+02 2.366450319e+02 3.205790909e+02 3.504500078e+02 3.509200903e+02 1.534055911e+02 2.362661587e+02 3.294947956e+02 1.741081602e+02 2.335306882e+02 1.06 3.301086344e+02 2.216671636e+02 3.011618324e+02 3.302234934e+02 3.304477829e+02 1.436002334e+02 2.207328675e+02 3.098616021e+02 1.645983755e+02 2.209606942e+02 1.08 3.113870003e+02 2.077177598e+02 2.836362068e+02 3.112994496e+02 3.115087612e+02 1.346422561e+02 2.073217966e+02 2.906665143e+02 1.557439250e+02 2.089905811e+02 1.10 2.926535282e+02 1.945881130e+02 2.668012583e+02 2.927224234e+02 2.930938111e+02 1.259323765e+02 1.957521044e+02 2.719611541e+02 1.472721779e+02 1.976702136e+02 1.12 2.737404548e+02 1.823889420e+02 2.502413192e+02 2.742847760e+02 2.748646137e+02 1.172878083e+02 1.857082652e+02 2.543981375e+02 1.390045084e+02 1.868382556e+02 1.14 2.559252497e+02 1.712234286e+02 2.339697137e+02 2.567897480e+02 2.574427480e+02 1.086574055e+02 1.765794344e+02 2.388817172e+02 1.310652179e+02 1.766859684e+02 1.16 2.403420387e+02 1.610388486e+02 2.178075560e+02 2.410044850e+02 2.413660012e+02 9.988045090e+01 1.675977200e+02 2.254480952e+02 1.233468893e+02 1.676735600e+02 1.18 2.272492241e+02 1.514324467e+02 2.023715673e+02 2.271633177e+02 2.269375967e+02 9.116202238e+01 1.589459354e+02 2.132644267e+02 1.156897573e+02 1.596792444e+02 1.20 2.153512120e+02 1.422033924e+02 1.888540067e+02 2.147361389e+02 2.140507975e+02 8.321462440e+01 1.509785919e+02 2.016348738e+02 1.083322886e+02 1.519811460e+02 1.22 2.040744391e+02 1.337089785e+02 1.778033364e+02 2.032942276e+02 2.024619980e+02 7.652237741e+01 1.436934175e+02 1.903855204e+02 1.014100995e+02 1.445814964e+02 1.24 1.932062652e+02 1.262618226e+02 1.687191298e+02 1.924191857e+02 1.917046398e+02 7.101259844e+01 1.369216207e+02 1.793665835e+02 9.488162657e+01 1.374469045e+02 1.26 1.823085510e+02 1.198719732e+02 1.607108487e+02 1.817189167e+02 1.812734366e+02 6.622997479e+01 1.304616504e+02 1.684913857e+02 8.877239499e+01 1.302265009e+02 1.28 1.713795621e+02 1.143281357e+02 1.533826741e+02 1.710885905e+02 1.709231586e+02 6.187097315e+01 1.242258005e+02 1.581825568e+02 8.309808305e+01 1.229609200e+02 1.30 1.608788476e+02 1.093268996e+02 1.465741894e+02 1.608086833e+02 1.608786780e+02 5.780359610e+01 1.180567251e+02 1.489731587e+02 7.778952593e+01 1.158152261e+02 1.32 1.512867923e+02 1.047472641e+02 1.399102800e+02 1.514122433e+02 1.516724510e+02 5.376441557e+01 1.119428349e+02 1.410868848e+02 7.272953471e+01 1.088273371e+02 1.34 1.430057219e+02 1.005659111e+02 1.331966435e+02 1.433269172e+02 1.436584156e+02 4.960601677e+01 1.058797361e+02 1.343506246e+02 6.790315580e+01 1.021549872e+02 1.36 1.361219026e+02 9.678501269e+01 1.267078796e+02 1.364827291e+02 1.367209366e+02 4.550438691e+01 9.997602020e+01 1.285105117e+02 6.336069943e+01 9.602386981e+01 1.38 1.302606676e+02 9.317540196e+01 1.205906119e+02 1.304578861e+02 1.305035661e+02 4.163552537e+01 9.434013480e+01 1.232165369e+02 5.908851633e+01 9.032607757e+01 1.40 1.249444446e+02 8.957361004e+01 1.150205103e+02 1.249146100e+02 1.247922093e+02 3.816988163e+01 8.910700410e+01 1.182589997e+02 5.514280198e+01 8.496844291e+01 1.42 1.198891805e+02 8.598706290e+01 1.101812208e+02 1.197772507e+02 1.196058535e+02 3.527440044e+01 8.435745448e+01 1.135232636e+02 5.159092846e+01 7.997491961e+01 1.44 1.151660483e+02 8.248902062e+01 1.060740450e+02 1.150727012e+02 1.149327302e+02 3.302752473e+01 7.996798538e+01 1.090300244e+02 4.836851602e+01 7.546724058e+01 1.46 1.108564704e+02 7.898402115e+01 1.023694516e+02 1.107716599e+02 1.106798069e+02 3.122114341e+01 7.572307497e+01 1.047054557e+02 4.530232656e+01 7.135371344e+01 1.48 1.067776426e+02 7.545552594e+01 9.882887300e+01 1.066741864e+02 1.066378765e+02 2.960818800e+01 7.153123647e+01 1.004801391e+02 4.224485878e+01 6.752969734e+01 1.50 1.026359866e+02 7.193201694e+01 9.536536391e+01 1.025733723e+02 1.026163928e+02 2.809011248e+01 6.738982814e+01 9.628020941e+01 3.921656506e+01 6.386237144e+01 1.52 9.833666619e+01 6.845613716e+01 9.194115998e+01 9.840270450e+01 9.853598055e+01 2.667050304e+01 6.329002009e+01 9.223461552e+01 3.635081091e+01 6.023669494e+01 1.54 9.420880284e+01 6.500273632e+01 8.850877222e+01 9.437253269e+01 9.454993114e+01 2.535562709e+01 5.929545262e+01 8.847884908e+01 3.372490025e+01 5.662866941e+01 1.56 9.030137271e+01 6.155354453e+01 8.501577264e+01 9.049866859e+01 9.066760832e+01 2.411054027e+01 5.553207684e+01 8.498063578e+01 3.139377320e+01 5.308576387e+01 1.58 8.658160879e+01 5.810441501e+01 8.150829815e+01 8.676329456e+01 8.691002059e+01 2.289735280e+01 5.216136005e+01 8.163200624e+01 2.932326334e+01 4.965090711e+01 1.60 8.304830736e+01 5.468905136e+01 7.799442020e+01 8.319669408e+01 8.333172024e+01 2.171578584e+01 4.923145986e+01 7.838736207e+01 2.742176351e+01 4.639375646e+01 1.62 7.977448134e+01 5.136684879e+01 7.459342498e+01 7.991478264e+01 8.005420108e+01 2.061963665e+01 4.664973559e+01 7.530416627e+01 2.561235233e+01 4.343966367e+01 1.64 7.682263916e+01 4.820461557e+01 7.128006770e+01 7.695766224e+01 7.709268532e+01 1.959924906e+01 4.428968578e+01 7.240683125e+01 2.390036024e+01 4.091916886e+01 1.66 7.410692004e+01 4.522715641e+01 6.801763322e+01 7.421503897e+01 7.432315790e+01 1.864858009e+01 4.208096543e+01 6.961575787e+01 2.230885419e+01 3.882150916e+01 1.68 7.141449560e+01 4.236331783e+01 6.475679513e+01 7.147377409e+01 7.153305257e+01 1.773601172e+01 3.996325975e+01 6.683490908e+01 2.079934185e+01 3.691915882e+01 1.70 6.870964329e+01 3.952609742e+01 6.153230759e+01 6.872190763e+01 6.873417198e+01 1.684568278e+01 3.785552016e+01 6.404466119e+01 1.932656877e+01 3.509790210e+01 1.72 6.604030154e+01 3.667169381e+01 5.838091989e+01 6.600435863e+01 6.596841572e+01 1.595761095e+01 3.571203508e+01 6.129366464e+01 1.786454049e+01 3.335196973e+01 1.74 6.340990135e+01 3.377393808e+01 5.532536597e+01 6.332247407e+01 6.323504678e+01 1.505324546e+01 3.352869325e+01 5.856517544e+01 1.642399840e+01 3.166599071e+01 1.76 6.076653311e+01 3.087050482e+01 5.239151148e+01 6.063587996e+01 6.050522681e+01 1.414365614e+01 3.133912397e+01 5.582619464e+01 1.498844571e+01 2.997893363e+01 1.78 5.805157097e+01 2.800944852e+01 4.955033400e+01 5.790347965e+01 5.775538834e+01 1.322980183e+01 2.913024846e+01 5.303704057e+01 1.354568299e+01 2.822592917e+01 1.80 5.527664094e+01 2.523462620e+01 4.679200629e+01 5.513558958e+01 5.499453822e+01 1.232754842e+01 2.690703418e+01 5.021553907e+01 1.209853182e+01 2.642402595e+01 1.82 5.251197001e+01 2.261335419e+01 4.410018500e+01 5.238174313e+01 5.225151625e+01 1.144740553e+01 2.471198594e+01 4.737560315e+01 1.067813242e+01 2.465311319e+01 1.84 4.973505863e+01 2.017362322e+01 4.143095837e+01 4.961769939e+01 4.950034014e+01 1.058715679e+01 2.263329442e+01 4.452400449e+01 9.334246809e+00 2.290111354e+01 1.86 4.694044931e+01 1.792833995e+01 3.874789157e+01 4.683692730e+01 4.673340529e+01 9.741784787e+00 2.071585914e+01 4.167503975e+01 8.093172537e+00 2.116663967e+01 1.88 4.413600985e+01 1.588415790e+01 3.605317315e+01 4.405146123e+01 4.396691261e+01 8.920288997e+00 1.892471217e+01 3.884158602e+01 6.977654655e+00 1.945728744e+01 1.90 4.134409443e+01 1.402396399e+01 3.336849893e+01 4.128481315e+01 4.122553187e+01 8.127773638e+00 1.721012965e+01 3.604832304e+01 5.972450797e+00 1.778960473e+01 1.92 3.857125865e+01 1.230886245e+01 3.069216131e+01 3.853919002e+01 3.850712139e+01 7.348443448e+00 1.554104233e+01 3.332029535e+01 5.038667353e+00 1.616912341e+01 1.94 3.582130436e+01 1.069744929e+01 2.802394970e+01 3.581132026e+01 3.580133616e+01 6.558188618e+00 1.392359552e+01 3.068727826e+01 4.143665415e+00 1.459387951e+01 1.96 3.312426273e+01 9.137479029e+00 2.540418736e+01 3.312902648e+01 3.313379024e+01 5.758377518e+00 1.235974905e+01 2.822518371e+01 3.278587723e+00 1.307287705e+01 1.98 3.052025199e+01 7.586908314e+00 2.292960558e+01 3.054135070e+01 3.056244942e+01 4.983806559e+00 1.086129126e+01 2.594841916e+01 2.459550434e+00 1.161855206e+01 2.00 2.805278107e+01 6.060124791e+00 2.071126069e+01 2.810348113e+01 2.815418119e+01 4.276999108e+00 9.444635311e+00 2.383052253e+01 1.707775705e+00 1.024494169e+01 2.02 2.580037416e+01 4.632081260e+00 1.880620439e+01 2.588589653e+01 2.597141891e+01 3.657456404e+00 8.120510208e+00 2.185849906e+01 1.037321682e+00 8.986360781e+00 2.04 2.374584883e+01 3.363060509e+00 1.713921885e+01 2.386163757e+01 2.397742630e+01 3.100723744e+00 6.879170779e+00 1.998823952e+01 4.414489119e-01 7.831131007e+00 2.06 2.183137142e+01 2.288960594e+00 1.559738338e+01 2.196449396e+01 2.209761650e+01 2.567941848e+00 5.697025439e+00 1.817337853e+01 -1.035347595e-01 6.752457612e+00 2.08 2.002300814e+01 1.389238579e+00 1.407372295e+01 2.014972189e+01 2.027643563e+01 2.025177253e+00 4.558425226e+00 1.639284165e+01 -6.144744744e-01 5.735007097e+00 2.10 1.829057461e+01 6.081505468e-01 1.255524470e+01 1.839376031e+01 1.849694601e+01 1.476556453e+00 3.469915360e+00 1.462986850e+01 -1.104223359e+00 4.764705418e+00 2.12 1.659188765e+01 -1.084605726e-01 1.107580491e+01 1.667027548e+01 1.674866330e+01 9.413222037e-01 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