# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2014--Fraile-A-Cuesta-Lopez-S-Caro-A-et-al--Pb-Li # implementation = 2014--Fraile-A--Pb-Li--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 2025-12-17 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 5.182899919e+02 nan 0.82 nan nan nan nan nan nan nan nan 4.739037770e+02 nan 0.84 nan nan nan nan nan nan nan nan 4.338864496e+02 nan 0.86 nan nan nan nan nan 3.413964462e+02 nan nan 3.976237606e+02 nan 0.88 nan nan nan nan nan 3.133801857e+02 nan nan 3.649372291e+02 nan 0.90 nan nan nan nan nan 2.880272288e+02 nan nan 3.352533624e+02 nan 0.92 nan nan nan nan nan 2.649383653e+02 nan nan 3.083072821e+02 nan 0.94 nan nan nan nan nan 2.440416033e+02 nan nan 2.838384745e+02 nan 0.96 nan nan nan nan nan 2.249757301e+02 nan nan 2.614864764e+02 nan 0.98 nan nan nan 5.295413832e+02 5.295645346e+02 2.074975706e+02 nan nan 2.410532133e+02 3.476362697e+02 1.00 nan 3.184966042e+02 nan 4.917605220e+02 4.917731671e+02 1.916605817e+02 3.260087247e+02 nan 2.224367683e+02 3.218965828e+02 1.02 nan 2.947848414e+02 nan 4.571589750e+02 4.571682048e+02 1.770955612e+02 3.020321051e+02 nan 2.054266932e+02 2.981542862e+02 1.04 nan 2.731246423e+02 nan 4.253140765e+02 4.253301455e+02 1.637352583e+02 2.799619884e+02 nan 1.898132872e+02 2.764668859e+02 1.06 nan 2.531748857e+02 nan 3.959109487e+02 3.959172488e+02 1.515761123e+02 2.597029248e+02 nan 1.755150568e+02 2.564706105e+02 1.08 nan 2.347750621e+02 nan 3.687919357e+02 3.687767267e+02 1.404820606e+02 2.410603270e+02 nan 1.623908378e+02 2.381463212e+02 1.10 nan 2.179209722e+02 nan 3.438363223e+02 3.438235312e+02 1.302082483e+02 2.238259830e+02 3.187747412e+02 1.503640729e+02 2.212601859e+02 1.12 3.207108757e+02 2.023103574e+02 2.871214204e+02 3.206928255e+02 3.206807015e+02 1.207462166e+02 2.080525399e+02 2.970879672e+02 1.392819246e+02 2.055903863e+02 1.14 2.994101501e+02 1.879777675e+02 2.676011009e+02 2.993978498e+02 2.994344961e+02 1.119982104e+02 1.934143506e+02 2.770602799e+02 1.290676173e+02 1.911176196e+02 1.16 2.794936656e+02 1.746593567e+02 2.496221802e+02 2.795782631e+02 2.796127921e+02 1.039881174e+02 1.798643982e+02 2.585246913e+02 1.196327162e+02 1.778584934e+02 1.18 2.611050114e+02 1.624247177e+02 2.329296904e+02 2.611770921e+02 2.611879611e+02 9.659353837e+01 1.673826188e+02 2.413806051e+02 1.109631749e+02 1.656398094e+02 1.20 2.441068096e+02 1.510439420e+02 2.176453890e+02 2.441509706e+02 2.441609532e+02 8.980289639e+01 1.558062423e+02 2.254805752e+02 1.029473331e+02 1.541929169e+02 1.22 2.284170669e+02 1.405654862e+02 2.032792966e+02 2.283698630e+02 2.283780722e+02 8.350887175e+01 1.451066125e+02 2.107544566e+02 9.554060041e+01 1.436708733e+02 1.24 2.136819454e+02 1.307747151e+02 1.899133350e+02 2.136790484e+02 2.136731121e+02 7.766932686e+01 1.351575677e+02 1.970332838e+02 8.870963054e+01 1.339947936e+02 1.26 2.000426903e+02 1.218188623e+02 1.775990605e+02 1.999823122e+02 1.999709309e+02 7.228894411e+01 1.259660426e+02 1.842960415e+02 8.238437163e+01 1.249145881e+02 1.28 1.872981157e+02 1.134022977e+02 1.660703274e+02 1.872206928e+02 1.872061946e+02 6.729996050e+01 1.174776099e+02 1.723741276e+02 7.652672711e+01 1.164694312e+02 1.30 1.753806928e+02 1.056588305e+02 1.553561450e+02 1.753908965e+02 1.753992848e+02 6.271119183e+01 1.095661236e+02 1.612846379e+02 7.112517077e+01 1.086442076e+02 1.32 1.643601319e+02 9.842451622e+01 1.453414634e+02 1.643678543e+02 1.643663024e+02 5.839107181e+01 1.022282030e+02 1.509678940e+02 6.610735079e+01 1.013337656e+02 1.34 1.539996958e+02 9.166885717e+01 1.360994351e+02 1.540562322e+02 1.540578441e+02 5.441115337e+01 9.532052037e+01 1.413966831e+02 6.144497644e+01 9.455848913e+01 1.36 1.443570229e+02 8.544304108e+01 1.273625059e+02 1.444146111e+02 1.444421601e+02 5.069794952e+01 8.892920308e+01 1.324119532e+02 5.713381155e+01 8.828165992e+01 1.38 1.354149744e+02 7.966168517e+01 1.192257684e+02 1.354420205e+02 1.354669715e+02 4.726017844e+01 8.296750856e+01 1.240518476e+02 5.311825076e+01 8.249822639e+01 1.40 1.269727695e+02 7.422410425e+01 1.116305468e+02 1.270132409e+02 1.270340547e+02 4.406150232e+01 7.744374479e+01 1.162460626e+02 4.941535404e+01 7.702097556e+01 1.42 1.191271695e+02 6.920992690e+01 1.046240435e+02 1.191414333e+02 1.191475730e+02 4.113180249e+01 7.229070970e+01 1.089412952e+02 4.594720494e+01 7.195976409e+01 1.44 1.117674977e+02 6.455689648e+01 9.805598721e+01 1.117750900e+02 1.117775147e+02 3.839662949e+01 6.751484370e+01 1.021556209e+02 4.276803698e+01 6.720306939e+01 1.46 1.049807049e+02 6.016388781e+01 9.192671414e+01 1.049304288e+02 1.049269518e+02 3.589350930e+01 6.301730042e+01 9.579462088e+01 3.976448040e+01 6.280368742e+01 1.48 9.850942380e+01 5.605823463e+01 8.613617268e+01 9.848837574e+01 9.848748582e+01 3.350001184e+01 5.882379059e+01 8.981405446e+01 3.697069686e+01 5.867144453e+01 1.50 9.248990675e+01 5.223795121e+01 8.070241572e+01 9.248770510e+01 9.248601334e+01 3.124951250e+01 5.493322472e+01 8.422239236e+01 3.436470367e+01 5.486071253e+01 1.52 8.680726026e+01 4.873778173e+01 7.567316951e+01 8.681544220e+01 8.681221286e+01 2.915797182e+01 5.129854402e+01 7.898770315e+01 3.196860213e+01 5.124745748e+01 1.54 8.156419796e+01 4.543196297e+01 7.099636816e+01 8.153853110e+01 8.152441866e+01 2.724945220e+01 4.790924571e+01 7.407976540e+01 2.971433400e+01 4.795416557e+01 1.56 7.655398889e+01 4.231798956e+01 6.651904915e+01 7.655156090e+01 7.653995616e+01 2.542214436e+01 4.476980446e+01 6.947885863e+01 2.761885258e+01 4.478198968e+01 1.58 7.188034644e+01 3.942530121e+01 6.234172446e+01 7.187671405e+01 7.186838751e+01 2.373315191e+01 4.180948081e+01 6.514541329e+01 2.570202954e+01 4.183097150e+01 1.60 6.747603183e+01 3.674387345e+01 5.841400592e+01 6.749890220e+01 6.751594743e+01 2.214233616e+01 3.904311570e+01 6.107866538e+01 2.390576597e+01 3.906340845e+01 1.62 6.335428718e+01 3.426067142e+01 5.473372213e+01 6.339173428e+01 6.340623047e+01 2.065690022e+01 3.642375057e+01 5.730731659e+01 2.220506245e+01 3.647826034e+01 1.64 5.955667589e+01 3.188473620e+01 5.129459030e+01 5.954643356e+01 5.955191709e+01 1.927123934e+01 3.397920142e+01 5.375011594e+01 2.063184022e+01 3.406387512e+01 1.66 5.590123498e+01 2.966588497e+01 4.810948258e+01 5.592636491e+01 5.594176351e+01 1.798372878e+01 3.168790201e+01 5.040484152e+01 1.916107600e+01 3.180938691e+01 1.68 5.247098104e+01 2.759524437e+01 4.510206177e+01 5.250229336e+01 5.251646066e+01 1.679235251e+01 2.955257410e+01 4.726013144e+01 1.779661442e+01 2.972909630e+01 1.70 4.925187015e+01 2.566343338e+01 4.224348564e+01 4.928428001e+01 4.929717315e+01 1.566072223e+01 2.758421959e+01 4.432344320e+01 1.653374591e+01 2.781977206e+01 1.72 4.623070253e+01 2.390390208e+01 3.957188200e+01 4.627316179e+01 4.628459760e+01 1.461277068e+01 2.570957172e+01 4.157235096e+01 1.533661957e+01 2.596046702e+01 1.74 4.340775315e+01 2.224806349e+01 3.709338484e+01 4.343153439e+01 4.344023577e+01 1.366093927e+01 2.396939955e+01 3.897629263e+01 1.421594579e+01 2.422607502e+01 1.76 4.086198775e+01 2.066952844e+01 3.472675823e+01 4.080649338e+01 4.080349915e+01 1.272981483e+01 2.233759644e+01 3.657494260e+01 1.319165269e+01 2.263915732e+01 1.78 3.833050478e+01 1.918295521e+01 3.250706874e+01 3.828244670e+01 3.827986595e+01 1.185978783e+01 2.081795349e+01 3.425534465e+01 1.222915149e+01 2.110824636e+01 1.80 3.595044325e+01 1.779507123e+01 3.042562213e+01 3.593164941e+01 3.592930246e+01 1.104706704e+01 1.938091338e+01 3.209628025e+01 1.132339110e+01 1.967518199e+01 1.82 3.374697219e+01 1.651065191e+01 2.851512968e+01 3.371621250e+01 3.370555250e+01 1.028774659e+01 1.805416637e+01 3.005985678e+01 1.047595011e+01 1.834528812e+01 1.84 3.165084355e+01 1.530376643e+01 2.671447984e+01 3.162840020e+01 3.161892623e+01 9.589736669e+00 1.683825141e+01 2.813455593e+01 9.692253070e+00 1.709207393e+01 1.86 2.966468913e+01 1.419051285e+01 2.504576264e+01 2.967367668e+01 2.967412353e+01 8.957478101e+00 1.564891604e+01 2.635563711e+01 8.974049620e+00 1.591382231e+01 1.88 2.779817862e+01 1.316206785e+01 2.340172708e+01 2.781803308e+01 2.781802783e+01 8.327605992e+00 1.453425728e+01 2.466546093e+01 8.280150088e+00 1.481096968e+01 1.90 2.607397192e+01 1.218329584e+01 2.185764897e+01 2.608041831e+01 2.607604306e+01 7.737996971e+00 1.349132389e+01 2.307758459e+01 7.629236916e+00 1.380877111e+01 1.92 2.443516270e+01 1.125403759e+01 2.040924277e+01 2.443544318e+01 2.442921824e+01 7.187709984e+00 1.251553092e+01 2.157565710e+01 7.023176488e+00 1.285239108e+01 1.94 2.287585357e+01 1.038146173e+01 1.906839884e+01 2.288062990e+01 2.287510205e+01 6.691623190e+00 1.160274490e+01 2.015879559e+01 6.469801256e+00 1.193828040e+01 1.96 2.140961134e+01 9.566618245e+00 1.778599221e+01 2.142917829e+01 2.142447386e+01 6.203728610e+00 1.075992473e+01 1.882967383e+01 5.954483300e+00 1.108212891e+01 1.98 2.003250700e+01 8.805496184e+00 1.658168396e+01 2.005773751e+01 2.005407181e+01 5.746441717e+00 9.971596823e+00 1.759381922e+01 5.469103154e+00 1.028206538e+01 2.00 1.877918792e+01 8.095088121e+00 1.545139344e+01 1.877871744e+01 1.877625549e+01 5.318398327e+00 9.225335746e+00 1.644543437e+01 5.013617340e+00 9.575037479e+00 2.02 1.755396865e+01 7.431804002e+00 1.439036979e+01 1.755666872e+01 1.755970113e+01 4.917629384e+00 8.522873276e+00 1.533558226e+01 4.584618625e+00 8.866990720e+00 2.04 1.639904589e+01 6.823590538e+00 1.339489818e+01 1.642017904e+01 1.644262501e+01 4.542669002e+00 7.892757399e+00 1.430319490e+01 4.180182299e+00 8.201959587e+00 2.06 1.531249682e+01 6.268285553e+00 1.246071640e+01 1.533004440e+01 1.534987483e+01 4.191782980e+00 7.285076723e+00 1.332280890e+01 3.803415781e+00 7.579468616e+00 2.08 1.429064577e+01 5.733665314e+00 1.158436732e+01 1.430438557e+01 1.432153225e+01 3.863632673e+00 6.703981802e+00 1.239872836e+01 3.452490474e+00 6.997598286e+00 2.10 1.337197798e+01 5.232105394e+00 1.079959714e+01 1.336088923e+01 1.336839773e+01 3.575480844e+00 6.165695935e+00 1.156464761e+01 3.127084492e+00 6.488740734e+00 2.12 1.248764672e+01 4.759673535e+00 1.004565466e+01 1.246332580e+01 1.246514712e+01 3.297378449e+00 5.673921205e+00 1.074812731e+01 2.832924136e+00 5.996399339e+00 2.14 1.162439912e+01 4.312655198e+00 9.310211700e+00 1.160347041e+01 1.160521178e+01 3.023311529e+00 5.196863738e+00 9.973268129e+00 2.548187257e+00 5.509770026e+00 2.16 1.081202500e+01 3.896118280e+00 8.619668109e+00 1.079467364e+01 1.079638360e+01 2.766900374e+00 4.764077580e+00 9.245241941e+00 2.283210351e+00 5.054325338e+00 2.18 1.004750208e+01 3.508332838e+00 7.971587852e+00 1.004385773e+01 1.004556483e+01 2.527058035e+00 4.351486617e+00 8.561546948e+00 2.046721833e+00 4.628105123e+00 2.20 9.328661831e+00 3.147698179e+00 7.363584946e+00 9.339934085e+00 9.341576534e+00 2.303012469e+00 3.969326012e+00 7.919711784e+00 1.816965647e+00 4.229741822e+00 2.22 8.654492959e+00 2.815823279e+00 6.800198265e+00 8.664157074e+00 8.664719761e+00 2.100743861e+00 3.616184790e+00 7.318498466e+00 1.601841768e+00 3.860981261e+00 2.24 8.028541570e+00 2.522742293e+00 6.302010592e+00 8.032678505e+00 8.028303389e+00 1.942078562e+00 3.268965073e+00 6.759523613e+00 1.401969114e+00 3.531410147e+00 2.26 7.429784429e+00 2.229713939e+00 5.792436918e+00 7.433820147e+00 7.429922430e+00 1.751626401e+00 2.942630208e+00 6.228392391e+00 1.216426021e+00 3.202465601e+00 2.28 6.867282050e+00 1.957259375e+00 5.313399264e+00 6.871194924e+00 6.867769504e+00 1.572373728e+00 2.638030828e+00 5.732519632e+00 1.044253757e+00 2.894627098e+00 2.30 6.338837392e+00 1.717754282e+00 4.864158041e+00 6.342594007e+00 6.339528153e+00 1.404525926e+00 2.354631055e+00 5.293000307e+00 8.846644660e-01 2.606860470e+00 2.32 5.843061892e+00 1.491131300e+00 4.442559067e+00 5.848766222e+00 5.845838086e+00 1.247215480e+00 2.096533803e+00 4.852461712e+00 7.398175642e-01 2.338145631e+00 2.34 5.377883128e+00 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