# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2013--Henriksson-K-O-E-Bjorkas-C-Nordlund-K--Fe-C # implementation = 2013--Henriksson-K-O-E--Fe-C--LAMMPS--ipr1 # composition = C # 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 2.576563595e+03 nan nan 3.027481287e+03 nan 0.52 nan 3.646700974e+03 nan nan nan 2.231708005e+03 3.722711725e+03 nan 2.633084303e+03 3.668825325e+03 0.54 nan 3.198158428e+03 nan nan nan 1.933257835e+03 3.273550406e+03 nan 2.294204657e+03 3.232696075e+03 0.56 nan 2.831573489e+03 3.775918207e+03 nan nan 1.684106347e+03 2.897219976e+03 nan 2.002052354e+03 2.857549839e+03 0.58 3.725416737e+03 2.513808622e+03 3.368064363e+03 3.712810985e+03 3.712516317e+03 1.477644059e+03 2.574579804e+03 3.482504795e+03 1.758322645e+03 2.522008353e+03 0.60 3.318674274e+03 2.242455760e+03 3.027213892e+03 3.310475962e+03 3.302222197e+03 1.304926744e+03 2.283785807e+03 3.105397980e+03 1.555397947e+03 2.219559235e+03 0.62 2.967607669e+03 2.003354162e+03 2.715585185e+03 2.964808064e+03 2.953656211e+03 1.147410996e+03 2.013837879e+03 2.783574643e+03 1.383874015e+03 1.957947336e+03 0.64 2.672648160e+03 1.787506618e+03 2.430489534e+03 2.672902101e+03 2.666596478e+03 9.970217998e+02 1.777896651e+03 2.508324144e+03 1.238772199e+03 1.736435354e+03 0.66 2.414851776e+03 1.590027184e+03 2.186035451e+03 2.415503324e+03 2.417945680e+03 8.651281100e+02 1.580696037e+03 2.254734100e+03 1.104080941e+03 1.554100877e+03 0.68 2.174093901e+03 1.409131626e+03 1.975600691e+03 2.176517317e+03 2.184475229e+03 7.594643194e+02 1.418617383e+03 2.019640709e+03 9.782581397e+02 1.408545786e+03 0.70 1.947984216e+03 1.250538437e+03 1.773869285e+03 1.955460352e+03 1.965541297e+03 6.716952641e+02 1.281398035e+03 1.804816897e+03 8.635936151e+02 1.283185851e+03 0.72 1.744501640e+03 1.122164628e+03 1.585246323e+03 1.754453441e+03 1.763577721e+03 5.997734109e+02 1.159494981e+03 1.619868377e+03 7.595562159e+02 1.163680142e+03 0.74 1.571713840e+03 1.020402819e+03 1.411230102e+03 1.578512327e+03 1.582441024e+03 5.333001189e+02 1.050060214e+03 1.468286282e+03 6.676106551e+02 1.045427836e+03 0.76 1.436970735e+03 9.287603610e+02 1.259566599e+03 1.433298058e+03 1.428613977e+03 4.718779530e+02 9.511762331e+02 1.340202195e+03 5.875195468e+02 9.342839327e+02 0.78 1.315651292e+03 8.353182237e+02 1.138457425e+03 1.304658608e+03 1.294513740e+03 4.178101705e+02 8.620331884e+02 1.219110678e+03 5.152565646e+02 8.290701903e+02 0.80 1.195389737e+03 7.432607096e+02 1.041812316e+03 1.183900963e+03 1.172773105e+03 3.736219919e+02 7.780141121e+02 1.104139538e+03 4.488808588e+02 7.295707641e+02 0.82 1.081838416e+03 6.576251904e+02 9.563441499e+02 1.073108285e+03 1.064378185e+03 3.354068089e+02 6.944377662e+02 9.981343887e+02 3.917568075e+02 6.425737943e+02 0.84 9.772339307e+02 5.828249087e+02 8.788091798e+02 9.736687112e+02 9.701035467e+02 3.020976459e+02 6.105839364e+02 9.019491401e+02 3.449983795e+02 5.650357701e+02 0.86 8.836339429e+02 5.217347521e+02 8.089578515e+02 8.856082509e+02 8.875842188e+02 2.742025040e+02 5.307474888e+02 8.155534883e+02 3.064639511e+02 4.965253821e+02 0.88 8.002275740e+02 4.712975147e+02 7.433116327e+02 8.065636443e+02 8.129031409e+02 2.507975875e+02 4.594444507e+02 7.376819373e+02 2.744479391e+02 4.390937709e+02 0.90 7.288756287e+02 4.267669756e+02 6.785076426e+02 7.372557276e+02 7.456392342e+02 2.286124916e+02 3.975630347e+02 6.696459339e+02 2.474320563e+02 3.952932643e+02 0.92 6.634904918e+02 3.848973264e+02 6.095286068e+02 6.714493162e+02 6.794106861e+02 2.046378920e+02 3.474388648e+02 6.078077048e+02 2.235116238e+02 3.570186719e+02 0.94 6.029006887e+02 3.427119199e+02 5.395652227e+02 6.088600806e+02 6.148209938e+02 1.799030611e+02 3.073775742e+02 5.523459624e+02 2.007421173e+02 3.217040745e+02 0.96 5.485752094e+02 3.008782332e+02 4.721676543e+02 5.513691960e+02 5.541635965e+02 1.557365439e+02 2.758980766e+02 5.031501067e+02 1.792393319e+02 2.901596727e+02 0.98 5.014685444e+02 2.600093955e+02 4.104953998e+02 5.004409589e+02 4.994127082e+02 1.333230563e+02 2.487400160e+02 4.581898554e+02 1.588193554e+02 2.629116482e+02 1.00 4.583159282e+02 2.217665050e+02 3.577452687e+02 4.538813333e+02 4.494453606e+02 1.137547351e+02 2.245480820e+02 4.121943899e+02 1.400658397e+02 2.388795421e+02 1.02 4.134904402e+02 1.865744352e+02 3.154966275e+02 4.074957577e+02 4.014997325e+02 9.804837960e+01 2.035644275e+02 3.653246677e+02 1.234860509e+02 2.155660554e+02 1.04 3.670361464e+02 1.552681910e+02 2.843780176e+02 3.617990482e+02 3.565612243e+02 8.690451432e+01 1.857217134e+02 3.189740692e+02 1.093614884e+02 1.924828020e+02 1.06 3.209592271e+02 1.300848379e+02 2.601474097e+02 3.179386343e+02 3.149179767e+02 7.794177908e+01 1.691114750e+02 2.750010162e+02 9.668606678e+01 1.703561371e+02 1.08 2.770082915e+02 1.120106754e+02 2.346077078e+02 2.760276051e+02 2.750471338e+02 6.746097177e+01 1.529012283e+02 2.352570555e+02 8.450999785e+01 1.498588123e+02 1.10 2.369097642e+02 9.776200465e+01 2.084747257e+02 2.376468774e+02 2.383840798e+02 5.607424476e+01 1.373680523e+02 2.019007828e+02 7.313448446e+01 1.315939191e+02 1.12 2.027358597e+02 8.685987950e+01 1.826602745e+02 2.046623136e+02 2.065884846e+02 4.436325752e+01 1.227821516e+02 1.767743346e+02 6.287951417e+01 1.160577375e+02 1.14 1.768777793e+02 7.766745516e+01 1.580255424e+02 1.791281323e+02 1.813779141e+02 3.275819773e+01 1.093863179e+02 1.588864702e+02 5.348930219e+01 1.035500801e+02 1.16 1.605950012e+02 6.990289965e+01 1.354316817e+02 1.621357359e+02 1.636760081e+02 2.163209649e+01 9.737808908e+01 1.454242190e+02 4.449656849e+01 9.398267411e+01 1.18 1.477501267e+02 6.299071210e+01 1.157901416e+02 1.484853870e+02 1.492204073e+02 1.156057490e+01 8.626618899e+01 1.325943051e+02 3.589697088e+01 8.572831282e+01 1.20 1.358586376e+02 5.668281968e+01 9.999877368e+01 1.360803282e+02 1.363019417e+02 3.643384628e+00 7.543823177e+01 1.204292925e+02 2.809194878e+01 7.815822395e+01 1.22 1.243144729e+02 5.093056310e+01 8.866120953e+01 1.243259143e+02 1.243373526e+02 -6.513968962e-01 6.525318056e+01 1.086737342e+02 2.141806086e+01 7.043889141e+01 1.24 1.124562126e+02 4.568879658e+01 8.069930684e+01 1.124606008e+02 1.124649889e+02 -1.803227200e+00 5.562008264e+01 9.701455284e+01 1.590089041e+01 6.169631252e+01 1.26 1.005567914e+02 4.091570457e+01 7.346524091e+01 1.005617467e+02 1.005667020e+02 -2.711974878e+00 4.644365170e+01 8.571909119e+01 1.091282644e+01 5.240773643e+01 1.28 8.889434982e+01 3.657261154e+01 6.680969397e+01 8.889940838e+01 8.890446694e+01 -3.508981179e+00 3.800061366e+01 7.504448786e+01 6.585511581e+00 4.301212918e+01 1.30 7.773571843e+01 3.262379000e+01 6.069005646e+01 7.774012439e+01 7.774453034e+01 -4.204170672e+00 3.054285373e+01 6.522564685e+01 3.130777120e+00 3.387005114e+01 1.32 6.733427849e+01 2.903627057e+01 5.506649133e+01 6.733719232e+01 6.734010615e+01 -4.806706902e+00 2.430320566e+01 5.646767581e+01 7.329521533e-01 2.526458291e+01 1.34 5.792870129e+01 2.577965691e+01 4.990181743e+01 5.792946752e+01 5.793023375e+01 -5.325040943e+00 1.947349626e+01 4.891007565e+01 -5.327655799e-01 1.744047738e+01 1.36 4.973417888e+01 2.282594734e+01 4.516138320e+01 4.973257877e+01 4.973097866e+01 -5.766958738e+00 1.614478562e+01 4.237857886e+01 -1.260727566e+00 1.067738040e+01 1.38 4.291856984e+01 2.014936442e+01 4.081293502e+01 4.291496176e+01 4.291135368e+01 -6.139626731e+00 1.382179009e+01 3.686357163e+01 -1.896470789e+00 5.352306697e+00 1.40 3.756401471e+01 1.763763799e+01 3.682648368e+01 3.755927864e+01 3.755454256e+01 -6.449635490e+00 1.146292781e+01 3.238613230e+01 -2.493914163e+00 1.887517305e+00 1.42 3.358765197e+01 1.496308034e+01 3.317417147e+01 3.358288117e+01 3.357811038e+01 -6.703041096e+00 9.070186484e+00 2.886920736e+01 -3.099383141e+00 4.327276497e-01 1.44 3.017989917e+01 1.220529660e+01 2.983014174e+01 3.017537720e+01 3.017085523e+01 -6.905404226e+00 6.711168508e+00 2.579908500e+01 -3.674747861e+00 -4.178027310e-01 1.46 2.705455243e+01 9.481893856e+00 2.677041227e+01 2.705026645e+01 2.704598047e+01 -7.061826879e+00 4.446431639e+00 2.299127488e+01 -4.184248406e+00 -1.171184184e+00 1.48 2.419040130e+01 6.894516814e+00 2.393541113e+01 2.418633910e+01 2.418227689e+01 -7.176986788e+00 2.330659751e+00 2.042553311e+01 -4.600348821e+00 -1.835835070e+00 1.50 2.156771225e+01 4.522242932e+00 2.097838417e+01 2.156386223e+01 2.156001220e+01 -7.255169553e+00 4.148024563e-01 1.808306940e+01 -4.907486782e+00 -2.419526853e+00 1.52 1.916813747e+01 2.419433050e+00 1.790372633e+01 1.916448861e+01 1.916083975e+01 -7.300298597e+00 -1.252403630e+00 1.594645256e+01 -5.103878365e+00 -2.929429300e+00 1.54 1.697462725e+01 5.207985533e-01 1.481341742e+01 1.697116911e+01 1.696771096e+01 -7.315963035e+00 -2.625552685e+00 1.399952043e+01 -5.201049894e+00 -3.372153065e+00 1.56 1.497134627e+01 -1.186667062e+00 1.180021595e+01 1.496806891e+01 1.496479155e+01 -7.305443567e+00 -3.667878641e+00 1.222729459e+01 -5.220983368e+00 -3.753789708e+00 1.58 1.314359399e+01 -2.588957401e+00 8.943707356e+00 1.314048800e+01 1.313738202e+01 -7.271736497e+00 -4.360379634e+00 1.061589967e+01 -5.191165826e+00 -4.079949199e+00 1.60 1.147772929e+01 -3.610769963e+00 6.308793937e+00 1.147478575e+01 1.147184220e+01 -7.217576015e+00 -4.711390137e+00 9.152487428e+00 -5.138460273e+00 -4.355795002e+00 1.62 9.961099225e+00 -4.228315564e+00 3.946430366e+00 9.958309654e+00 9.955520083e+00 -7.145454825e+00 -4.892752950e+00 7.825165294e+00 -5.083375095e+00 -4.586076849e+00 1.64 8.581971958e+00 -4.483820832e+00 1.895781315e+00 8.579328324e+00 8.576684690e+00 -7.057643248e+00 -5.057779809e+00 6.622929425e+00 -5.031057814e+00 -4.775161296e+00 1.66 7.329473682e+00 -4.541016007e+00 1.863151982e-01 7.326968365e+00 7.324463049e+00 -6.956206904e+00 -5.200584876e+00 5.486731997e+00 -4.968697804e+00 -4.927060209e+00 1.68 6.193529433e+00 -4.445073487e+00 -1.161969346e+00 6.191155210e+00 6.188780987e+00 -6.843023059e+00 -5.317277103e+00 4.192237495e+00 -4.896810721e+00 -5.045457261e+00 1.70 5.164807629e+00 -4.220303277e+00 -2.141383591e+00 5.162557650e+00 5.160307671e+00 -6.719795743e+00 -5.405923212e+00 2.789507354e+00 -4.816711766e+00 -5.133732589e+00 1.72 4.018249427e+00 -3.880449224e+00 -2.833615673e+00 4.016142439e+00 4.014035450e+00 -6.538206657e+00 -5.449701613e+00 1.310551890e+00 -4.696206804e+00 -5.202206303e+00 1.74 2.621883863e+00 -3.446111937e+00 -3.316840860e+00 2.619958236e+00 2.618032608e+00 -6.251004356e+00 -5.410995696e+00 -1.756251961e-01 -4.502741614e+00 -5.239986608e+00 1.76 1.115577213e+00 -2.982216565e+00 -3.740634388e+00 1.113862479e+00 1.112147745e+00 -5.862987123e+00 -5.262570304e+00 -1.530545130e+00 -4.237954540e+00 -5.216470157e+00 1.78 -3.588733942e-01 -2.560951489e+00 -4.086847266e+00 -3.603567862e-01 -3.618401782e-01 -5.382107825e+00 -4.987135110e+00 -2.634318879e+00 -3.905672700e+00 -5.102466614e+00 1.80 -1.669475144e+00 -2.217137233e+00 -4.296748626e+00 -1.670716075e+00 -1.671957005e+00 -4.820565587e+00 -4.581079414e+00 -3.395683484e+00 -3.512934941e+00 -4.874960631e+00 1.82 -2.704512576e+00 -1.872493559e+00 -4.325729097e+00 -2.705509547e+00 -2.706506519e+00 -4.195508146e+00 -4.056843715e+00 -3.760747872e+00 -3.070711845e+00 -4.521260196e+00 1.84 -3.381748623e+00 -1.528036556e+00 -4.148953330e+00 -3.382510104e+00 -3.383271585e+00 -3.529155696e+00 -3.443427223e+00 -3.720535056e+00 -2.594167696e+00 -4.042201248e+00 1.86 -3.656472612e+00 -1.197327074e+00 -3.765713356e+00 -3.657017308e+00 -3.657562004e+00 -2.848219379e+00 -2.784523167e+00 -3.316926008e+00 -2.102353174e+00 -3.454067958e+00 1.88 -3.528445358e+00 -8.924175467e-01 -3.202036036e+00 -3.528802074e+00 -3.529158789e+00 -2.182568535e+00 -2.133941126e+00 -2.645263080e+00 -1.617275907e+00 -2.788844484e+00 1.90 -3.047277027e+00 -6.233872146e-01 -2.510777498e+00 -3.047483473e+00 -3.047689919e+00 -1.563202749e+00 -1.537628870e+00 -1.849446460e+00 -1.162373377e+00 -2.092380090e+00 1.92 -2.314444902e+00 -3.980058199e-01 -1.768046567e+00 -2.314544521e+00 -2.314644139e+00 -1.019704603e+00 -1.008803670e+00 -1.103029767e+00 -7.605099118e-01 -1.420117397e+00 1.94 -1.477856429e+00 -2.215326069e-01 -1.064654527e+00 -1.477892513e+00 -1.477928597e+00 -5.774728318e-01 -5.739525174e-01 -5.717638531e-01 -4.317278695e-01 -8.303385136e-01 1.96 -7.127213244e-01 -9.665019716e-02 -4.920059980e-01 -7.127291585e-01 -7.127369925e-01 -2.551352626e-01 -2.544398673e-01 -2.540119941e-01 -1.910797458e-01 -3.755343448e-01 1.98 -1.844112531e-01 -2.352627764e-02 -1.240224162e-01 -1.844117635e-01 -1.844122739e-01 -6.257866952e-02 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