# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2005--Erhart-P-Albe-K--Si-C-I # implementation = 2005--Erhart-P--Si-C-I--LAMMPS--ipr1 # composition = Si # 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 2024-11-27 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 3.561467922e+03 nan nan nan nan 0.58 nan nan nan nan nan 3.154723266e+03 nan nan 3.686934076e+03 nan 0.60 nan nan nan nan nan 2.807533449e+03 nan nan 3.277421049e+03 nan 0.62 nan nan nan nan nan 2.507991019e+03 nan nan 2.920446716e+03 nan 0.64 nan 3.642041947e+03 nan nan nan 2.236832743e+03 3.712004844e+03 nan 2.606885707e+03 3.656494240e+03 0.66 nan 3.272407085e+03 nan nan nan 1.994833794e+03 3.337032405e+03 nan 2.335573917e+03 3.284403072e+03 0.68 nan 2.947299479e+03 nan nan nan 1.786533754e+03 3.004560662e+03 nan 2.100567789e+03 2.952591754e+03 0.70 nan 2.657768979e+03 3.606787663e+03 nan nan 1.607572339e+03 2.705431287e+03 nan 1.890413582e+03 2.663248803e+03 0.72 3.613888513e+03 2.401120517e+03 3.274481591e+03 3.612825719e+03 3.612340011e+03 1.451610768e+03 2.442894423e+03 3.377654474e+03 1.702992727e+03 2.414363676e+03 0.74 3.287550093e+03 2.174870427e+03 2.975903402e+03 3.283619336e+03 3.281559519e+03 1.313439510e+03 2.214863494e+03 3.069933744e+03 1.536640657e+03 2.189988711e+03 0.76 2.995554677e+03 1.972379427e+03 2.706400735e+03 2.991046065e+03 2.989138845e+03 1.187138347e+03 2.012255865e+03 2.791957269e+03 1.389390197e+03 1.984002126e+03 0.78 2.729127057e+03 1.789268564e+03 2.467946866e+03 2.728946565e+03 2.728223795e+03 1.073635980e+03 1.829196414e+03 2.540802567e+03 1.257043855e+03 1.798703932e+03 0.80 2.486471197e+03 1.626254494e+03 2.251358449e+03 2.491433373e+03 2.492308826e+03 9.731671162e+02 1.662899508e+03 2.316181874e+03 1.138505824e+03 1.637193191e+03 0.82 2.272400863e+03 1.480904004e+03 2.050889135e+03 2.276850761e+03 2.278333220e+03 8.828630456e+02 1.512532335e+03 2.116307288e+03 1.031221942e+03 1.494049070e+03 0.84 2.082270263e+03 1.347941241e+03 1.869298464e+03 2.083689859e+03 2.085287188e+03 8.005099626e+02 1.379477474e+03 1.937186356e+03 9.359091827e+02 1.364000910e+03 0.86 1.910800403e+03 1.229009691e+03 1.710707192e+03 1.909958780e+03 1.911605458e+03 7.268402765e+02 1.261936433e+03 1.775858015e+03 8.500592510e+02 1.245493505e+03 0.88 1.754396104e+03 1.124598331e+03 1.572687547e+03 1.752774599e+03 1.753958601e+03 6.628524820e+02 1.155431643e+03 1.629513748e+03 7.729326506e+02 1.136925532e+03 0.90 1.613257133e+03 1.029856521e+03 1.448074448e+03 1.610289960e+03 1.609550074e+03 6.060334449e+02 1.056554786e+03 1.496240890e+03 7.037162856e+02 1.039638344e+03 0.92 1.482635200e+03 9.414923045e+02 1.332313131e+03 1.480510078e+03 1.478263567e+03 5.540229003e+02 9.658811049e+02 1.373703390e+03 6.425035625e+02 9.497065726e+02 0.94 1.363225420e+03 8.608301607e+02 1.224509319e+03 1.363164223e+03 1.360680766e+03 5.056541942e+02 8.831670474e+02 1.263097714e+03 5.876251812e+02 8.679606167e+02 0.96 1.255054826e+03 7.890578912e+02 1.125673177e+03 1.256341555e+03 1.254851225e+03 4.611344120e+02 8.073831083e+02 1.163713480e+03 5.373643712e+02 7.941080429e+02 0.98 1.158115828e+03 7.245766959e+02 1.035210983e+03 1.159176885e+03 1.158689552e+03 4.192781820e+02 7.381050647e+02 1.074406335e+03 4.917316549e+02 7.276753464e+02 1.00 1.071896151e+03 6.649106735e+02 9.537322586e+02 1.071532209e+03 1.071620022e+03 3.810267730e+02 6.759038843e+02 9.925429499e+02 4.508115076e+02 6.690257706e+02 1.02 9.926411376e+02 6.080581573e+02 8.795779238e+02 9.913439744e+02 9.919042280e+02 3.462907341e+02 6.207274186e+02 9.148926696e+02 4.131013974e+02 6.157117158e+02 1.04 9.163354846e+02 5.549903173e+02 8.132007729e+02 9.159175936e+02 9.171879005e+02 3.164786018e+02 5.719414327e+02 8.410652814e+02 3.775734345e+02 5.678030752e+02 1.06 8.434456906e+02 5.071700290e+02 7.524336190e+02 8.444715347e+02 8.462475117e+02 2.915946301e+02 5.277189072e+02 7.728817938e+02 3.441096081e+02 5.248254811e+02 1.08 7.755639546e+02 4.650758365e+02 6.941171275e+02 7.779414024e+02 7.798538143e+02 2.685492730e+02 4.865494716e+02 7.119388739e+02 3.134396902e+02 4.853741641e+02 1.10 7.146898092e+02 4.288134167e+02 6.376784940e+02 7.175000719e+02 7.191316504e+02 2.462947653e+02 4.481815264e+02 6.578730879e+02 2.864296283e+02 4.489660200e+02 1.12 6.619171788e+02 3.963635686e+02 5.847394572e+02 6.636574251e+02 6.646231207e+02 2.252081765e+02 4.126933646e+02 6.096043375e+02 2.625251540e+02 4.138518464e+02 1.14 6.146735133e+02 3.664523416e+02 5.371746572e+02 6.150196506e+02 6.153488635e+02 2.057859072e+02 3.804247798e+02 5.652390835e+02 2.402782233e+02 3.800633836e+02 1.16 5.707601186e+02 3.386625313e+02 4.961646787e+02 5.700967870e+02 5.697485800e+02 1.885405804e+02 3.515029656e+02 5.239866988e+02 2.194948008e+02 3.483917721e+02 1.18 5.303014478e+02 3.124449800e+02 4.602183699e+02 5.288410719e+02 5.275668087e+02 1.734759645e+02 3.252815077e+02 4.858328386e+02 1.998219120e+02 3.196409013e+02 1.20 4.933091046e+02 2.871961073e+02 4.272135993e+02 4.911108147e+02 4.889347978e+02 1.595024141e+02 3.005896303e+02 4.506673347e+02 1.817789570e+02 2.945102062e+02 1.22 4.583896587e+02 2.629649520e+02 3.963563416e+02 4.558726344e+02 4.533612085e+02 1.463377783e+02 2.774417239e+02 4.172804816e+02 1.657844686e+02 2.717849639e+02 1.24 4.244878014e+02 2.401148217e+02 3.677525178e+02 4.224279217e+02 4.203727683e+02 1.341774019e+02 2.556179979e+02 3.857153096e+02 1.512896207e+02 2.493764109e+02 1.26 3.921474382e+02 2.192934614e+02 3.414747713e+02 3.910385112e+02 3.899318031e+02 1.232159917e+02 2.347745220e+02 3.564940106e+02 1.379707889e+02 2.276563393e+02 1.28 3.620193878e+02 2.009232612e+02 3.175069146e+02 3.618415301e+02 3.616605234e+02 1.135748746e+02 2.151823176e+02 3.296437498e+02 1.259210299e+02 2.072450149e+02 1.30 3.347773937e+02 1.850125634e+02 2.955152251e+02 3.353042596e+02 3.358217019e+02 1.049900960e+02 1.966668243e+02 3.053698016e+02 1.149303585e+02 1.889424217e+02 1.32 3.109611131e+02 1.708508011e+02 2.750781677e+02 3.117686525e+02 3.125634848e+02 9.706182912e+01 1.788649036e+02 2.835646456e+02 1.051495837e+02 1.736496737e+02 1.34 2.900174693e+02 1.580339335e+02 2.560789652e+02 2.907684921e+02 2.915071141e+02 8.973600726e+01 1.623301383e+02 2.633655251e+02 9.660330593e+01 1.609636492e+02 1.36 2.701188741e+02 1.459711283e+02 2.381662793e+02 2.709181075e+02 2.717058517e+02 8.296502184e+01 1.476083355e+02 2.441517723e+02 8.893831729e+01 1.489950847e+02 1.38 2.508922480e+02 1.344755083e+02 2.211135983e+02 2.519166708e+02 2.529313682e+02 7.670520932e+01 1.346229141e+02 2.259676472e+02 8.185837251e+01 1.374956787e+02 1.40 2.325402687e+02 1.236271113e+02 2.050214306e+02 2.338960566e+02 2.352443995e+02 7.091637003e+01 1.233338388e+02 2.090369688e+02 7.526321233e+01 1.265634388e+02 1.42 2.152884730e+02 1.135168366e+02 1.893236595e+02 2.168201873e+02 2.183470171e+02 6.525479012e+01 1.135827567e+02 1.935646917e+02 6.900914666e+01 1.163173843e+02 1.44 1.993644179e+02 1.041853453e+02 1.737061046e+02 2.007275472e+02 2.020883782e+02 5.952123377e+01 1.045393509e+02 1.796722202e+02 6.308066176e+01 1.068851298e+02 1.46 1.849619150e+02 9.525429029e+01 1.585641161e+02 1.858450509e+02 1.867281151e+02 5.385038059e+01 9.600463094e+01 1.670351264e+02 5.749417205e+01 9.837778747e+01 1.48 1.721733101e+02 8.675725290e+01 1.443075219e+02 1.723495145e+02 1.725271643e+02 4.837314258e+01 8.805643742e+01 1.554626067e+02 5.230497587e+01 9.084725267e+01 1.50 1.605822703e+02 7.860068642e+01 1.311625297e+02 1.600596642e+02 1.595395771e+02 4.325075195e+01 8.077247189e+01 1.446854483e+02 4.755299687e+01 8.405126703e+01 1.52 1.497569377e+02 7.053992804e+01 1.194206887e+02 1.487592183e+02 1.477649122e+02 3.872235010e+01 7.420968476e+01 1.342890977e+02 4.317749889e+01 7.773672989e+01 1.54 1.396457382e+02 6.276326543e+01 1.096936121e+02 1.384745522e+02 1.373071838e+02 3.507162269e+01 6.836906779e+01 1.242606830e+02 3.918447677e+01 7.186967369e+01 1.56 1.299809640e+02 5.557811827e+01 1.018459630e+02 1.288957030e+02 1.278139170e+02 3.223890045e+01 6.301971196e+01 1.141727822e+02 3.548431952e+01 6.633990424e+01 1.58 1.200421934e+02 4.939986037e+01 9.458905386e+01 1.191329280e+02 1.182257276e+02 2.964245917e+01 5.805153011e+01 1.041141530e+02 3.208148226e+01 6.087535546e+01 1.60 1.099758193e+02 4.420483606e+01 8.781302425e+01 1.093023557e+02 1.086288747e+02 2.723344862e+01 5.343804618e+01 9.429415456e+01 2.896779042e+01 5.552075186e+01 1.62 9.998340265e+01 3.951576208e+01 8.148654206e+01 9.959183233e+01 9.919841940e+01 2.499852179e+01 4.915462677e+01 8.495115031e+01 2.616887511e+01 5.035572909e+01 1.64 9.025135615e+01 3.545446094e+01 7.558033734e+01 9.018465513e+01 9.011620799e+01 2.292530415e+01 4.517287260e+01 7.643624124e+01 2.369927288e+01 4.546902865e+01 1.66 8.102359687e+01 3.192696990e+01 6.983088367e+01 8.129337452e+01 8.156522752e+01 2.084334534e+01 4.136882969e+01 6.900930390e+01 2.145930823e+01 4.096436843e+01 1.68 7.272688470e+01 2.870665008e+01 6.399105086e+01 7.326027353e+01 7.380258570e+01 1.859246455e+01 3.771576183e+01 6.277704302e+01 1.923394238e+01 3.695687215e+01 1.70 6.598359969e+01 2.582791097e+01 5.815243664e+01 6.659300818e+01 6.721576910e+01 1.621816918e+01 3.424023281e+01 5.788194979e+01 1.705266564e+01 3.354404210e+01 1.72 6.098094010e+01 2.328064643e+01 5.240784251e+01 6.143892706e+01 6.190775662e+01 1.372419049e+01 3.097136650e+01 5.348470642e+01 1.495697799e+01 3.069512172e+01 1.74 5.646422923e+01 2.093820332e+01 4.686243260e+01 5.674908082e+01 5.704125830e+01 1.106833814e+01 2.793914288e+01 4.937733773e+01 1.298758987e+01 2.808774505e+01 1.76 5.223907416e+01 1.877219461e+01 4.166044564e+01 5.237452145e+01 5.251408595e+01 8.208477010e+00 2.517208128e+01 4.554168211e+01 1.118640280e+01 2.566710000e+01 1.78 4.828756139e+01 1.677055373e+01 3.700734582e+01 4.831338794e+01 4.834085911e+01 5.277327749e+00 2.269245840e+01 4.196069824e+01 9.597379773e+00 2.342048016e+01 1.80 4.459286186e+01 1.492200623e+01 3.313978715e+01 4.455949083e+01 4.452636761e+01 2.884017477e+00 2.050884786e+01 3.860029119e+01 8.252401784e+00 2.133603538e+01 1.82 4.113916510e+01 1.321601873e+01 3.015862062e+01 4.109663881e+01 4.105411252e+01 1.822208432e+00 1.857744306e+01 3.539461041e+01 7.061295436e+00 1.940271358e+01 1.84 3.791161747e+01 1.164275116e+01 2.752112101e+01 3.787043623e+01 3.782925498e+01 1.153867142e+00 1.677686811e+01 3.234400813e+01 5.889708000e+00 1.761020655e+01 1.86 3.489626416e+01 1.019301196e+01 2.506413664e+01 3.485638480e+01 3.481650545e+01 5.395492447e-01 1.496001048e+01 2.945689636e+01 4.700241918e+00 1.594889962e+01 1.88 3.207999477e+01 8.858216289e+00 2.277632968e+01 3.204137554e+01 3.200275632e+01 -2.424254070e-02 1.312622959e+01 2.674358564e+01 3.510434839e+00 1.440982460e+01 1.90 2.944462403e+01 7.630346795e+00 2.064704869e+01 2.940727214e+01 2.936992026e+01 -5.407970437e-01 1.130885408e+01 2.421103535e+01 2.338779077e+00 1.297732559e+01 1.92 2.685647195e+01 6.501916938e+00 1.866628774e+01 2.682145850e+01 2.678644506e+01 -1.013206607e+00 9.537367744e+00 2.178512859e+01 1.216702442e+00 1.149550743e+01 1.94 2.428308483e+01 5.465936660e+00 1.682464794e+01 2.425201840e+01 2.422095197e+01 -1.444378374e+00 7.841105594e+00 1.945359637e+01 2.032703363e-01 9.939978854e+00 1.96 2.175064679e+01 4.515880248e+00 1.511330124e+01 2.172539149e+01 2.170013619e+01 -1.837044939e+00 6.257618063e+00 1.724365677e+01 -6.129277694e-01 8.350307742e+00 1.98 1.928688988e+01 3.645656256e+00 1.352395642e+01 1.926954296e+01 1.925219605e+01 -2.193774404e+00 4.841483368e+00 1.517945942e+01 -1.146723825e+00 6.751100181e+00 2.00 1.692359162e+01 2.849579353e+00 1.204882700e+01 1.691619944e+01 1.690880725e+01 -2.516979857e+00 3.662418820e+00 1.323591522e+01 -1.490129206e+00 5.151110179e+00 2.02 1.470019149e+01 2.122343980e+00 1.068060113e+01 1.470417869e+01 1.470816588e+01 -2.808928326e+00 2.780657623e+00 1.142414401e+01 -1.799720422e+00 3.554274864e+00 2.04 1.266562316e+01 1.458999684e+00 9.412413285e+00 1.268102925e+01 1.269643534e+01 -3.071749220e+00 2.122117995e+00 9.773808387e+00 -2.078421168e+00 1.991802595e+00 2.06 1.087394988e+01 8.549280460e-01 8.237817516e+00 1.089877395e+01 1.092359803e+01 -3.307442300e+00 1.520948256e+00 8.313573965e+00 -2.328466827e+00 5.740323882e-01 2.08 9.370806887e+00 3.058210823e-01 7.150762418e+00 9.400932844e+00 9.431058801e+00 -3.517885189e+00 9.703407798e-01 7.063975196e+00 -2.551946430e+00 -4.885346917e-01 2.10 8.161403367e+00 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