# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2003--Mendelev-M-I-Han-S-Srolovitz-D-J-et-al--Fe-2 # implementation = 2003--Mendelev-M-I--Fe-2--LAMMPS--ipr3 # composition = Fe # 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 nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan 1.476866362e+03 nan 0.70 nan nan nan nan nan nan nan nan 1.293598542e+03 nan 0.72 nan nan nan nan nan nan nan nan 1.134757026e+03 nan 0.74 nan nan nan nan nan 8.864247390e+02 nan nan 9.968658221e+02 nan 0.76 nan nan nan nan nan 7.800284170e+02 nan nan 8.769571864e+02 nan 0.78 nan nan nan nan nan 6.876260094e+02 nan nan 7.724320989e+02 nan 0.80 nan nan nan nan nan 6.073845163e+02 nan nan 6.812589134e+02 nan 0.82 nan nan nan nan nan 5.374773714e+02 nan nan 6.017513123e+02 nan 0.84 nan nan nan 1.357527888e+03 1.357931510e+03 4.765506827e+02 nan nan 5.320981181e+02 8.279540009e+02 0.86 nan 7.029229365e+02 nan 1.214519034e+03 1.214853956e+03 4.235554684e+02 7.378891875e+02 nan 4.709252380e+02 7.363047382e+02 0.88 nan 6.271915444e+02 nan 1.088435881e+03 1.088587144e+03 3.774825268e+02 6.573643079e+02 nan 4.171199732e+02 6.555231994e+02 0.90 nan 5.600737882e+02 nan 9.771543630e+02 9.770716253e+02 3.373733631e+02 5.862571076e+02 nan 3.697849923e+02 5.843405201e+02 0.92 nan 4.999731378e+02 nan 8.786393315e+02 8.783828092e+02 3.023765486e+02 5.233701034e+02 nan 3.281697773e+02 5.214273796e+02 0.94 nan 4.460217513e+02 nan 7.912920650e+02 7.909803099e+02 2.717513709e+02 4.676050554e+02 nan 2.915828081e+02 4.657116665e+02 0.96 7.140483786e+02 3.976883418e+02 6.219947942e+02 7.138018299e+02 7.135355094e+02 2.449205986e+02 4.180297309e+02 6.487234228e+02 2.594311515e+02 4.163903529e+02 0.98 6.450836837e+02 3.544340140e+02 5.605023757e+02 6.449783854e+02 6.448161641e+02 2.213783888e+02 3.737576329e+02 5.857301727e+02 2.311521296e+02 3.728216731e+02 1.00 5.837368063e+02 3.157521261e+02 5.055986161e+02 5.837757467e+02 5.837353338e+02 2.006852282e+02 3.342809957e+02 5.289624035e+02 2.062827727e+02 3.344380297e+02 1.02 5.284447224e+02 2.810838571e+02 4.560822419e+02 5.286163024e+02 5.287085565e+02 1.822745719e+02 2.989751061e+02 4.775043741e+02 1.842856503e+02 3.002950233e+02 1.04 4.779928811e+02 2.499587917e+02 4.110086015e+02 4.782641334e+02 4.784996746e+02 1.656945711e+02 2.672772699e+02 4.306720278e+02 1.646977922e+02 2.695787001e+02 1.06 4.319784802e+02 2.220674710e+02 3.699646737e+02 4.323013921e+02 4.326475047e+02 1.507197893e+02 2.388360644e+02 3.880867975e+02 1.472433840e+02 2.419117091e+02 1.08 3.900575999e+02 1.971105953e+02 3.325305755e+02 3.903544285e+02 3.907155328e+02 1.371301930e+02 2.133292949e+02 3.494417095e+02 1.316961305e+02 2.169910245e+02 1.10 3.519322015e+02 1.747431295e+02 2.984990829e+02 3.521517388e+02 3.524449968e+02 1.248178687e+02 1.904603147e+02 3.144353553e+02 1.178727004e+02 1.945696582e+02 1.12 3.173251048e+02 1.547492396e+02 2.676312217e+02 3.174406390e+02 3.176074348e+02 1.136622275e+02 1.699527905e+02 2.827528847e+02 1.056094814e+02 1.744275652e+02 1.14 2.859713874e+02 1.368705571e+02 2.397097234e+02 2.859692138e+02 2.859844632e+02 1.035646438e+02 1.515759942e+02 2.540513847e+02 9.473952487e+01 1.563579744e+02 1.16 2.575694310e+02 1.209024097e+02 2.145408841e+02 2.574598354e+02 2.573400030e+02 9.444463033e+01 1.351370790e+02 2.280043505e+02 8.512678076e+01 1.401416163e+02 1.18 2.316709167e+02 1.066666583e+02 1.919007546e+02 2.315060083e+02 2.313123936e+02 8.616143758e+01 1.204584950e+02 2.043001791e+02 7.663940213e+01 1.255362024e+02 1.20 2.080426919e+02 9.402118466e+01 1.715499469e+02 2.078713099e+02 2.076631887e+02 7.847847532e+01 1.073748935e+02 1.827798135e+02 6.914889242e+01 1.124041625e+02 1.22 1.865458613e+02 8.281728075e+01 1.532670981e+02 1.863976164e+02 1.862151665e+02 7.135176143e+01 9.573297348e+01 1.632988712e+02 6.254190684e+01 1.006538688e+02 1.24 1.670435186e+02 7.290932024e+01 1.368331793e+02 1.669311062e+02 1.667978544e+02 6.472991735e+01 8.537374581e+01 1.457187438e+02 5.657977908e+01 9.019754202e+01 1.26 1.493927536e+02 6.417210891e+01 1.220201245e+02 1.493235941e+02 1.492490263e+02 5.853500110e+01 7.616286897e+01 1.298955379e+02 5.107587946e+01 8.093537959e+01 1.28 1.334716926e+02 5.650157413e+01 1.086832752e+02 1.334526203e+02 1.334382748e+02 5.276913965e+01 6.800198599e+01 1.156926284e+02 4.600403849e+01 7.275904136e+01 1.30 1.191539268e+02 4.980215540e+01 9.669064311e+01 1.191853963e+02 1.192256576e+02 4.743526518e+01 6.080015014e+01 1.029630458e+02 4.134260567e+01 6.555725983e+01 1.32 1.062904136e+02 4.398701574e+01 8.593502010e+01 1.063685793e+02 1.064577011e+02 4.253302151e+01 5.447114907e+01 9.157133355e+01 3.707174586e+01 5.921729962e+01 1.34 9.474580345e+01 3.897443035e+01 7.631631534e+01 9.486229199e+01 9.499125009e+01 3.805068770e+01 4.893171724e+01 8.139967239e+01 3.317095905e+01 5.363477688e+01 1.36 8.441115224e+01 3.459655391e+01 6.774287260e+01 8.455304093e+01 8.470624653e+01 3.397128262e+01 4.405518366e+01 7.234461545e+01 2.959432389e+01 4.862226830e+01 1.38 7.519327647e+01 3.068122146e+01 6.011839927e+01 7.534279215e+01 7.549954709e+01 3.026333841e+01 3.963313095e+01 6.431348631e+01 2.630778979e+01 4.402762825e+01 1.40 6.700440608e+01 2.717456668e+01 5.335546059e+01 6.714149423e+01 6.728102398e+01 2.689103711e+01 3.558404565e+01 5.721836500e+01 2.329553614e+01 3.981658632e+01 1.42 5.975787236e+01 2.402423934e+01 4.737561611e+01 5.986383555e+01 5.996936368e+01 2.381976808e+01 3.188053830e+01 5.096785886e+01 2.053858667e+01 3.595275708e+01 1.44 5.333604392e+01 2.118713546e+01 4.211330948e+01 5.339923661e+01 5.346081465e+01 2.102223583e+01 2.850068000e+01 4.545866727e+01 1.802000904e+01 3.235130874e+01 1.46 4.765060221e+01 1.862636743e+01 3.751100724e+01 4.766623969e+01 4.767989382e+01 1.847860570e+01 2.542263434e+01 4.060805950e+01 1.572811150e+01 2.898155890e+01 1.48 4.262179606e+01 1.631375578e+01 3.344977604e+01 4.259175759e+01 4.255923339e+01 1.617157750e+01 2.262497342e+01 3.634125787e+01 1.365242602e+01 2.583361931e+01 1.50 3.817606694e+01 1.422598381e+01 2.978825766e+01 3.810775558e+01 3.803619233e+01 1.408490167e+01 2.008603307e+01 3.248525494e+01 1.178047553e+01 2.290110176e+01 1.52 3.420865018e+01 1.234494521e+01 2.649866541e+01 3.411121167e+01 3.401004301e+01 1.220442519e+01 1.778468560e+01 2.896340677e+01 1.009631395e+01 2.018867468e+01 1.54 3.058048227e+01 1.065450070e+01 2.355479920e+01 3.046447290e+01 3.034500439e+01 1.051787397e+01 1.569598345e+01 2.575531907e+01 8.585169768e+00 1.770086258e+01 1.56 2.727282443e+01 9.140160444e+00 2.092911736e+01 2.714985375e+01 2.702448066e+01 9.011461096e+00 1.379467835e+01 2.284176057e+01 7.231112494e+00 1.543880992e+01 1.58 2.426811444e+01 7.789895460e+00 1.859219736e+01 2.415007454e+01 2.403122672e+01 7.669167674e+00 1.205656518e+01 2.020216131e+01 6.019210952e+00 1.339759263e+01 1.60 2.153953075e+01 6.593875363e+00 1.651041436e+01 2.143701596e+01 2.133516692e+01 6.472979586e+00 1.046303300e+01 1.781194354e+01 4.935817664e+00 1.155874214e+01 1.62 1.906104015e+01 5.542212614e+00 1.465088725e+01 1.898233248e+01 1.890521867e+01 5.406821095e+00 8.994743251e+00 1.564796961e+01 3.968440915e+00 9.902016987e+00 1.64 1.681001963e+01 4.620395642e+00 1.298504970e+01 1.676080052e+01 1.671345987e+01 4.458298045e+00 7.636847872e+00 1.369307390e+01 3.103779470e+00 8.408213825e+00 1.66 1.476964723e+01 3.792324921e+00 1.148660665e+01 1.475271727e+01 1.473744311e+01 3.615626617e+00 6.386494820e+00 1.193427076e+01 2.324521042e+00 7.064502887e+00 1.68 1.292699476e+01 3.044734484e+00 1.013238892e+01 1.294192409e+01 1.295811988e+01 2.866889296e+00 5.241737181e+00 1.035953772e+01 1.625960880e+00 5.861153342e+00 1.70 1.126907766e+01 2.371338138e+00 8.901739172e+00 1.131259221e+01 1.135699562e+01 2.199738435e+00 4.201120627e+00 8.955007951e+00 1.001872784e+00 4.786134028e+00 1.72 9.783744083e+00 1.765590040e+00 7.775949777e+00 9.850029059e+00 9.916791670e+00 1.602726297e+00 3.262176156e+00 7.707233313e+00 4.437480468e-01 3.827864678e+00 1.74 8.460461615e+00 1.221193800e+00 6.736642666e+00 8.541398278e+00 8.622339130e+00 1.065896774e+00 2.420726219e+00 6.602550792e+00 -5.571853305e-02 2.977180027e+00 1.76 7.287529148e+00 7.316898748e-01 5.756738930e+00 7.374665090e+00 7.461353995e+00 5.839304374e-01 1.672255172e+00 5.625885553e+00 -5.019101263e-01 2.226017774e+00 1.78 6.250738459e+00 2.907603727e-01 4.832803090e+00 6.336380325e+00 6.421318816e+00 1.534943451e-01 1.011501456e+00 4.763136069e+00 -8.974360839e-01 1.565767342e+00 1.80 5.335220314e+00 -1.088655118e-01 3.967452662e+00 5.412852545e+00 5.489805101e+00 -2.283083720e-01 4.298032488e-01 4.000165481e+00 -1.244102718e+00 9.861945321e-01 1.82 4.525523920e+00 -4.881649790e-01 3.163657236e+00 4.590215884e+00 4.654438832e+00 -5.639667926e-01 -8.060774433e-02 3.322712655e+00 -1.545117165e+00 4.760243635e-01 1.84 3.806890929e+00 -8.512008046e-01 2.424758808e+00 3.855339957e+00 3.903601328e+00 -8.554882246e-01 -5.268049072e-01 2.716161834e+00 -1.805037520e+00 2.445563594e-02 1.86 3.165747807e+00 -1.198582031e+00 1.753681783e+00 3.196166160e+00 3.226646464e+00 -1.104916617e+00 -9.154512176e-01 2.168121763e+00 -2.028471446e+00 -3.778597721e-01 1.88 2.589653915e+00 -1.530033559e+00 1.151093237e+00 2.601868751e+00 2.614295883e+00 -1.315688763e+00 -1.252422471e+00 1.669020235e+00 -2.219995347e+00 -7.371954408e-01 1.90 2.066246017e+00 -1.845107985e+00 6.166420701e-01 2.061841091e+00 2.057694795e+00 -1.491373240e+00 -1.545483379e+00 1.210520919e+00 -2.383211538e+00 -1.059054277e+00 1.92 1.585114495e+00 -2.141209698e+00 1.496369734e-01 1.567112438e+00 1.549349345e+00 -1.635400026e+00 -1.804951304e+00 7.884854574e-01 -2.520497214e+00 -1.347485251e+00 1.94 1.140992882e+00 -2.414974814e+00 -2.536415590e-01 1.113201613e+00 1.085596099e+00 -1.750972083e+00 -2.034436283e+00 4.009119887e-01 -2.633984363e+00 -1.605199938e+00 1.96 7.312647350e-01 -2.662860065e+00 -6.001014412e-01 6.975488354e-01 6.639426716e-01 -1.841909625e+00 -2.236481744e+00 3.146190892e-02 -2.725924311e+00 -1.834649290e+00 1.98 3.537644832e-01 -2.881407929e+00 -8.987315681e-01 3.174650392e-01 2.811876886e-01 -1.912961188e+00 -2.413182955e+00 -3.329619948e-01 -2.798362660e+00 -2.038061117e+00 2.00 6.799664810e-03 -3.069776872e+00 -1.158441405e+00 -2.935311146e-02 -6.555885653e-02 -1.968754918e+00 -2.566442058e+00 -6.880329338e-01 -2.853186167e+00 -2.217278855e+00 2.02 -3.319044780e-01 -3.232915729e+00 -1.401007725e+00 -3.658454122e-01 -3.998791736e-01 -2.020793554e+00 -2.705101753e+00 -1.036495019e+00 -2.897526205e+00 -2.384025781e+00 2.04 -6.791602693e-01 -3.375438051e+00 -1.642751417e+00 -7.094211950e-01 -7.397810860e-01 -2.078202977e+00 -2.835920996e+00 -1.379687032e+00 -2.937606182e+00 -2.547110255e+00 2.06 -1.028149269e+00 -3.499217648e+00 -1.881974339e+00 -1.053663588e+00 -1.079260439e+00 -2.139985573e+00 -2.957085135e+00 -1.711158455e+00 -2.973414492e+00 -2.703460962e+00 2.08 -1.372255318e+00 -3.606842892e+00 -2.116581778e+00 -1.392314909e+00 -1.412429202e+00 -2.204583702e+00 -3.067458758e+00 -2.024839382e+00 -3.004921908e+00 -2.850066735e+00 2.10 -1.705042070e+00 -3.700260820e+00 -2.344518383e+00 -1.719308661e+00 -1.733601902e+00 -2.270452185e+00 -3.166923212e+00 -2.315405732e+00 -3.032433720e+00 -2.983969046e+00 2.12 -2.020178404e+00 -3.781196233e+00 -2.563361718e+00 -2.028699782e+00 -2.037229790e+00 -2.336047848e+00 -3.255513235e+00 -2.577748213e+00 -3.056327871e+00 -3.102246702e+00 2.14 -2.311431129e+00 -3.851086786e+00 -2.770484633e+00 -2.314692254e+00 -2.317954757e+00 -2.399840688e+00 -3.333204710e+00 -2.807681297e+00 -3.076711410e+00 -3.202278108e+00 2.16 -2.574105492e+00 -3.910365537e+00 -2.963288663e+00 -2.572934343e+00 -2.571763199e+00 -2.460300409e+00 -3.400029634e+00 -3.004489527e+00 -3.093276749e+00 -3.282961303e+00 2.18 -2.805754381e+00 -3.958919474e+00 -3.139302513e+00 -2.801076293e+00 -2.796398206e+00 -2.515880111e+00 -3.456143508e+00 -3.170804586e+00 -3.105698966e+00 -3.344242990e+00 2.20 -3.004304321e+00 -3.996456993e+00 -3.296725465e+00 -2.997102734e+00 -2.989901147e+00 -2.565008824e+00 -3.501630673e+00 -3.309630005e+00 -3.113608192e+00 -3.386222958e+00 2.22 -3.168913724e+00 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