# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2010--Fellinger-M-R-Park-H-Wilkins-J-W--Nb # implementation = 2010--Fellinger-M-R--Nb--LAMMPS--ipr1 # composition = Nb # 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 1.141311626e+04 nan 0.66 nan nan nan nan nan nan nan nan 1.039806223e+04 nan 0.68 nan nan nan nan nan 8.276045256e+03 nan nan 9.481823493e+03 nan 0.70 nan nan nan nan nan 7.546063247e+03 nan nan 8.676849324e+03 nan 0.72 nan nan nan nan nan 6.843363520e+03 nan nan 7.962821249e+03 nan 0.74 nan nan nan nan nan 6.227004120e+03 nan nan 7.322161318e+03 nan 0.76 nan nan nan nan nan 5.697064293e+03 nan nan 6.754097453e+03 nan 0.78 nan 8.335765789e+03 nan 1.199079812e+04 1.200102359e+04 5.221398384e+03 nan nan 6.237613620e+03 8.394596974e+03 0.80 nan 7.701227949e+03 nan 1.107601594e+04 1.108259068e+04 4.795867328e+03 7.832177267e+03 nan 5.760550605e+03 7.796594930e+03 0.82 nan 7.131484805e+03 nan 1.023319628e+04 1.023408083e+04 4.428929697e+03 7.293781531e+03 nan 5.314762671e+03 7.227967944e+03 0.84 nan 6.607317049e+03 nan 9.483954679e+03 9.479245411e+03 4.104535072e+03 6.792058770e+03 nan 4.894654117e+03 6.693860531e+03 0.86 nan 6.133806634e+03 nan 8.806963594e+03 8.797052317e+03 3.804864440e+03 6.306708469e+03 nan 4.502055447e+03 6.227577636e+03 0.88 8.205057481e+03 5.719916779e+03 7.454202636e+03 8.187099726e+03 8.173650767e+03 3.536100547e+03 5.872547043e+03 7.721963863e+03 4.145217225e+03 5.806320824e+03 0.90 7.654377194e+03 5.345256232e+03 6.968136709e+03 7.627439660e+03 7.612447845e+03 3.305292433e+03 5.494839295e+03 7.192141679e+03 3.829648421e+03 5.389043372e+03 0.92 7.145473254e+03 4.992180538e+03 6.551416554e+03 7.126708843e+03 7.117643600e+03 3.105764986e+03 5.138406576e+03 6.710501585e+03 3.545538901e+03 4.978307724e+03 0.94 6.673624963e+03 4.664656057e+03 6.146267416e+03 6.673361024e+03 6.676255796e+03 2.912027294e+03 4.781411243e+03 6.269722583e+03 3.284369623e+03 4.604685731e+03 0.96 6.236748865e+03 4.366108975e+03 5.758763262e+03 6.255044281e+03 6.265293331e+03 2.721828018e+03 4.434407646e+03 5.870365552e+03 3.051048136e+03 4.277427037e+03 0.98 5.842166542e+03 4.097353114e+03 5.409684333e+03 5.864241394e+03 5.874043131e+03 2.554874386e+03 4.115079008e+03 5.515193103e+03 2.853256745e+03 3.981646142e+03 1.00 5.497428917e+03 3.847308049e+03 5.083311514e+03 5.509411535e+03 5.516784592e+03 2.414976952e+03 3.821752377e+03 5.197846725e+03 2.683822025e+03 3.703590756e+03 1.02 5.196645312e+03 3.611381026e+03 4.775336621e+03 5.196323020e+03 5.201343339e+03 2.287992046e+03 3.544003730e+03 4.907016426e+03 2.529828304e+03 3.444885224e+03 1.04 4.920379641e+03 3.384265098e+03 4.503243074e+03 4.911339802e+03 4.912005581e+03 2.168186151e+03 3.284558508e+03 4.634850588e+03 2.384919284e+03 3.217242156e+03 1.06 4.648774258e+03 3.159728143e+03 4.263180741e+03 4.639314075e+03 4.634772450e+03 2.058361052e+03 3.056236004e+03 4.370977644e+03 2.250881080e+03 3.026045018e+03 1.08 4.377264377e+03 2.946978488e+03 4.027951341e+03 4.373976014e+03 4.367300250e+03 1.954653279e+03 2.862715772e+03 4.112376929e+03 2.130394876e+03 2.858339990e+03 1.10 4.122333306e+03 2.754076329e+03 3.781123936e+03 4.120158677e+03 4.114674946e+03 1.847493445e+03 2.692536459e+03 3.864247295e+03 2.018106775e+03 2.697647736e+03 1.12 3.887658894e+03 2.569268926e+03 3.532825789e+03 3.880580213e+03 3.877643868e+03 1.734114675e+03 2.535986859e+03 3.626405704e+03 1.910660596e+03 2.540393261e+03 1.14 3.655994648e+03 2.385104404e+03 3.300012467e+03 3.652074187e+03 3.652966184e+03 1.618431246e+03 2.393903841e+03 3.396591182e+03 1.809483314e+03 2.394974164e+03 1.16 3.422346458e+03 2.214692909e+03 3.089798552e+03 3.432864999e+03 3.438837808e+03 1.508592998e+03 2.267808800e+03 3.179941505e+03 1.714874907e+03 2.269100377e+03 1.18 3.203353165e+03 2.070619796e+03 2.896329568e+03 3.225099165e+03 3.235307376e+03 1.408980611e+03 2.152917980e+03 2.982524874e+03 1.623711582e+03 2.161492433e+03 1.20 3.009933839e+03 1.946859852e+03 2.708408162e+03 3.029624617e+03 3.040894920e+03 1.315917703e+03 2.044846819e+03 2.803037116e+03 1.533817767e+03 2.066979714e+03 1.22 2.836493166e+03 1.830836920e+03 2.525622564e+03 2.844799411e+03 2.853026892e+03 1.225019710e+03 1.943828407e+03 2.635239679e+03 1.447131222e+03 1.979469133e+03 1.24 2.675099796e+03 1.718483537e+03 2.359330751e+03 2.672653056e+03 2.675915819e+03 1.136853824e+03 1.854634776e+03 2.478000510e+03 1.365767442e+03 1.893184671e+03 1.26 2.521077428e+03 1.615875593e+03 2.214824836e+03 2.513634633e+03 2.513266596e+03 1.052932508e+03 1.776398876e+03 2.332982270e+03 1.289583184e+03 1.803506142e+03 1.28 2.374739233e+03 1.529498277e+03 2.086915628e+03 2.367022763e+03 2.365165492e+03 9.729445269e+02 1.702162107e+03 2.201475152e+03 1.215921673e+03 1.712849796e+03 1.30 2.239231719e+03 1.458311730e+03 1.971739151e+03 2.231518376e+03 2.228071716e+03 8.976637970e+02 1.626159943e+03 2.081832593e+03 1.143557483e+03 1.624758379e+03 1.32 2.116574554e+03 1.395585159e+03 1.869205093e+03 2.106561835e+03 2.099511730e+03 8.282904836e+02 1.547733629e+03 1.971859148e+03 1.074616360e+03 1.540185169e+03 1.34 2.005712597e+03 1.334323819e+03 1.775811594e+03 1.992830140e+03 1.981032256e+03 7.629635586e+02 1.468690365e+03 1.870002893e+03 1.011973994e+03 1.458837949e+03 1.36 1.904143779e+03 1.273190098e+03 1.687576476e+03 1.890589370e+03 1.875764792e+03 7.001321184e+02 1.392549362e+03 1.774666067e+03 9.553863789e+02 1.380477335e+03 1.38 1.807157441e+03 1.214834324e+03 1.603591069e+03 1.797788955e+03 1.783919067e+03 6.404965993e+02 1.321155027e+03 1.682937319e+03 9.024128575e+02 1.303547631e+03 1.40 1.714037720e+03 1.163497558e+03 1.528776766e+03 1.711240712e+03 1.701527698e+03 5.875597228e+02 1.254588639e+03 1.595275063e+03 8.510044769e+02 1.230077654e+03 1.42 1.625684197e+03 1.120139501e+03 1.465482616e+03 1.628384153e+03 1.624042001e+03 5.421894099e+02 1.190251077e+03 1.513721680e+03 8.005752935e+02 1.162543624e+03 1.44 1.543708491e+03 1.083051129e+03 1.411606223e+03 1.548683897e+03 1.549314185e+03 5.026216185e+02 1.127727364e+03 1.440796139e+03 7.518653027e+02 1.102188599e+03 1.46 1.468073419e+03 1.049066362e+03 1.360035638e+03 1.473662039e+03 1.478451814e+03 4.649056291e+02 1.067889474e+03 1.375611344e+03 7.063149716e+02 1.045954356e+03 1.48 1.399552428e+03 1.016722535e+03 1.308059592e+03 1.405357165e+03 1.413148234e+03 4.284989673e+02 1.012257863e+03 1.316275212e+03 6.649086864e+02 9.920094847e+02 1.50 1.339509763e+03 9.843673322e+02 1.257258086e+03 1.344929744e+03 1.354327332e+03 3.948998647e+02 9.612697981e+02 1.259979133e+03 6.267376852e+02 9.402704599e+02 1.52 1.285505925e+03 9.515930052e+02 1.211192151e+03 1.289833176e+03 1.299788196e+03 3.665437748e+02 9.147946255e+02 1.205247306e+03 5.899254527e+02 8.916088202e+02 1.54 1.232964363e+03 9.187233892e+02 1.169643490e+03 1.236816511e+03 1.246917060e+03 3.431431543e+02 8.724973879e+02 1.152157566e+03 5.528330615e+02 8.451801031e+02 1.56 1.178380682e+03 8.878105560e+02 1.131078974e+03 1.183872179e+03 1.193926400e+03 3.236835937e+02 8.341470420e+02 1.103351564e+03 5.154190562e+02 8.006323916e+02 1.58 1.124768536e+03 8.591320510e+02 1.093084886e+03 1.133064692e+03 1.142188343e+03 3.069644814e+02 7.989555698e+02 1.061628766e+03 4.792611711e+02 7.588201114e+02 1.60 1.077673852e+03 8.322801824e+02 1.053018789e+03 1.087260027e+03 1.093799457e+03 2.918636221e+02 7.655150572e+02 1.028010946e+03 4.459716366e+02 7.212251264e+02 1.62 1.041688029e+03 8.052575348e+02 1.011026294e+03 1.049161932e+03 1.051764487e+03 2.772841059e+02 7.327727432e+02 1.000807051e+03 4.164036802e+02 6.882584693e+02 1.64 1.014987474e+03 7.762997782e+02 9.681676261e+02 1.017677117e+03 1.016204701e+03 2.622292768e+02 7.004913420e+02 9.767876726e+02 3.900945805e+02 6.576444948e+02 1.66 9.927563751e+02 7.448153906e+02 9.282646637e+02 9.905214379e+02 9.862332056e+02 2.474448406e+02 6.692862985e+02 9.535928273e+02 3.661709018e+02 6.267701052e+02 1.68 9.703321617e+02 7.114918119e+02 8.937323358e+02 9.648771767e+02 9.593725779e+02 2.342493075e+02 6.398369247e+02 9.303441653e+02 3.433067801e+02 5.932701760e+02 1.70 9.459576400e+02 6.770870577e+02 8.656476448e+02 9.393047132e+02 9.336606486e+02 2.239755877e+02 6.124628002e+02 9.069178911e+02 3.207010573e+02 5.576141164e+02 1.72 9.211342395e+02 6.423735648e+02 8.428879329e+02 9.142555854e+02 9.085641970e+02 2.167143380e+02 5.865617248e+02 8.828844675e+02 2.981554992e+02 5.228101049e+02 1.74 8.976573187e+02 6.074833774e+02 8.230026368e+02 8.905516141e+02 8.843608999e+02 2.113463429e+02 5.612006886e+02 8.584720821e+02 2.764697100e+02 4.921248835e+02 1.76 8.755424900e+02 5.720164456e+02 8.030906941e+02 8.679567812e+02 8.609424109e+02 2.061915339e+02 5.352947227e+02 8.337292255e+02 2.560634011e+02 4.669152125e+02 1.78 8.537766105e+02 5.358901282e+02 7.810764335e+02 8.457471868e+02 8.380175448e+02 1.999859457e+02 5.083539871e+02 8.083845375e+02 2.372891459e+02 4.456855852e+02 1.80 8.312645538e+02 4.992039565e+02 7.569285645e+02 8.235199954e+02 8.158570807e+02 1.926988193e+02 4.805665426e+02 7.821713080e+02 2.202063452e+02 4.261762595e+02 1.82 8.067470725e+02 4.628900589e+02 7.311524316e+02 8.002524295e+02 7.936944813e+02 1.847806163e+02 4.525991659e+02 7.546874465e+02 2.044682292e+02 4.060896298e+02 1.84 7.790352429e+02 4.278602929e+02 7.042832519e+02 7.747735384e+02 7.703889134e+02 1.767461162e+02 4.249254841e+02 7.252791124e+02 1.897659114e+02 3.840007535e+02 1.86 7.486058775e+02 3.949180373e+02 6.769014607e+02 7.472045715e+02 7.456851768e+02 1.690386712e+02 3.978754879e+02 6.945265979e+02 1.755425694e+02 3.603891421e+02 1.88 7.168195136e+02 3.644712382e+02 6.490701052e+02 7.183984664e+02 7.198997597e+02 1.616404338e+02 3.714574102e+02 6.634594197e+02 1.616710003e+02 3.366020087e+02 1.90 6.853465912e+02 3.362663396e+02 6.206705643e+02 6.895478294e+02 6.937183662e+02 1.543452349e+02 3.454189917e+02 6.333380892e+02 1.482361578e+02 3.141987888e+02 1.92 6.558573278e+02 3.101995975e+02 5.916312703e+02 6.618336337e+02 6.678036664e+02 1.468061867e+02 3.196546169e+02 6.049915460e+02 1.353616430e+02 2.945750600e+02 1.94 6.283376802e+02 2.857647459e+02 5.618241312e+02 6.351390727e+02 6.419404652e+02 1.386683658e+02 2.941846710e+02 5.778987541e+02 1.231620181e+02 2.774272992e+02 1.96 6.023786813e+02 2.625329093e+02 5.312084945e+02 6.090715361e+02 6.157643908e+02 1.297006854e+02 2.690702000e+02 5.512950095e+02 1.114061848e+02 2.620989440e+02 1.98 5.773469409e+02 2.401585397e+02 4.997901098e+02 5.831611672e+02 5.889753935e+02 1.198346359e+02 2.446106027e+02 5.244089469e+02 9.991426162e+01 2.477834982e+02 2.00 5.522990510e+02 2.181673191e+02 4.679169453e+02 5.568821679e+02 5.614652848e+02 1.093673656e+02 2.211604449e+02 4.967002454e+02 8.862401212e+01 2.336109304e+02 2.02 5.266952134e+02 1.962183604e+02 4.360288236e+02 5.300487371e+02 5.334022609e+02 9.868956188e+01 1.991179877e+02 4.682889982e+02 7.753324177e+01 2.191837772e+02 2.04 5.000506676e+02 1.742496967e+02 4.045889659e+02 5.024929296e+02 5.049351916e+02 8.821531018e+01 1.789712469e+02 4.394254785e+02 6.675390039e+01 2.041607644e+02 2.06 4.720438238e+02 1.523681621e+02 3.740384655e+02 4.741257683e+02 4.762077127e+02 7.829456194e+01 1.606994088e+02 4.103855334e+02 5.631272651e+01 1.882837242e+02 2.08 4.430996808e+02 1.310099020e+02 3.443680233e+02 4.451929345e+02 4.472861883e+02 6.883325885e+01 1.438610628e+02 3.815124038e+02 4.615920199e+01 1.717322352e+02 2.10 4.138079361e+02 1.107743930e+02 3.152808358e+02 4.159642159e+02 4.181204956e+02 5.952097943e+01 1.280012086e+02 3.528347626e+02 3.620036304e+01 1.549069227e+02 2.12 3.846979906e+02 9.207219615e+01 2.864945802e+02 3.866568706e+02 3.886157506e+02 5.001777210e+01 1.126898777e+02 3.244789952e+02 2.638890081e+01 1.382079236e+02 2.14 3.562505904e+02 7.490260429e+01 2.577054352e+02 3.574568187e+02 3.586630470e+02 3.997952833e+01 9.774082448e+01 2.966090389e+02 1.680170189e+01 1.220262375e+02 2.16 3.283651761e+02 5.893890247e+01 2.290143159e+02 3.283121868e+02 3.282591975e+02 2.945800116e+01 8.328757476e+01 2.692771013e+02 7.614686508e+00 1.064623952e+02 2.18 3.006756905e+02 4.372539701e+01 2.012632311e+02 2.992119559e+02 2.977482213e+02 1.896277439e+01 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