# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2005--Erhart-P-Albe-K--Si-C-I # implementation = Tersoff_LAMMPS_ErhartAlbe_2005_SiC__MO_903987585848_003 # 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 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 3.561467910e+03 nan nan nan nan 0.58 nan nan nan nan nan 3.154723255e+03 nan nan 3.686934063e+03 nan 0.60 nan nan nan nan nan 2.807533439e+03 nan nan 3.277421037e+03 nan 0.62 nan nan nan nan nan 2.507991010e+03 nan nan 2.920446706e+03 nan 0.64 nan 3.642041934e+03 nan nan nan 2.236832734e+03 3.712004831e+03 nan 2.606885697e+03 3.656494227e+03 0.66 nan 3.272407074e+03 nan nan nan 1.994833786e+03 3.337032394e+03 nan 2.335573908e+03 3.284403060e+03 0.68 nan 2.947299468e+03 nan nan nan 1.786533747e+03 3.004560651e+03 nan 2.100567781e+03 2.952591744e+03 0.70 nan 2.657768969e+03 3.606787651e+03 nan nan 1.607572333e+03 2.705431278e+03 nan 1.890413575e+03 2.663248794e+03 0.72 3.613888500e+03 2.401120509e+03 3.274481579e+03 3.612825706e+03 3.612339999e+03 1.451610762e+03 2.442894414e+03 3.377654462e+03 1.702992720e+03 2.414363668e+03 0.74 3.287550082e+03 2.174870419e+03 2.975903392e+03 3.283619325e+03 3.281559508e+03 1.313439505e+03 2.214863485e+03 3.069933733e+03 1.536640651e+03 2.189988703e+03 0.76 2.995554666e+03 1.972379420e+03 2.706400725e+03 2.991046054e+03 2.989138834e+03 1.187138342e+03 2.012255857e+03 2.791957259e+03 1.389390191e+03 1.984002118e+03 0.78 2.729127047e+03 1.789268557e+03 2.467946857e+03 2.728946555e+03 2.728223785e+03 1.073635975e+03 1.829196407e+03 2.540802558e+03 1.257043850e+03 1.798703925e+03 0.80 2.486471188e+03 1.626254488e+03 2.251358441e+03 2.491433363e+03 2.492308817e+03 9.731671121e+02 1.662899502e+03 2.316181865e+03 1.138505819e+03 1.637193184e+03 0.82 2.272400855e+03 1.480903998e+03 2.050889127e+03 2.276850753e+03 2.278333212e+03 8.828630418e+02 1.512532329e+03 2.116307280e+03 1.031221937e+03 1.494049064e+03 0.84 2.082270255e+03 1.347941235e+03 1.869298457e+03 2.083689851e+03 2.085287180e+03 8.005099591e+02 1.379477469e+03 1.937186349e+03 9.359091787e+02 1.364000905e+03 0.86 1.910800396e+03 1.229009686e+03 1.710707185e+03 1.909958772e+03 1.911605450e+03 7.268402732e+02 1.261936428e+03 1.775858008e+03 8.500592472e+02 1.245493500e+03 0.88 1.754396097e+03 1.124598327e+03 1.572687541e+03 1.752774592e+03 1.753958595e+03 6.628524789e+02 1.155431638e+03 1.629513741e+03 7.729326471e+02 1.136925527e+03 0.90 1.613257126e+03 1.029856517e+03 1.448074442e+03 1.610289953e+03 1.609550067e+03 6.060334420e+02 1.056554781e+03 1.496240884e+03 7.037162823e+02 1.039638339e+03 0.92 1.482635194e+03 9.414923003e+02 1.332313126e+03 1.480510072e+03 1.478263561e+03 5.540228977e+02 9.658811006e+02 1.373703385e+03 6.425035594e+02 9.497065685e+02 0.94 1.363225414e+03 8.608301568e+02 1.224509314e+03 1.363164217e+03 1.360680760e+03 5.056541917e+02 8.831670435e+02 1.263097709e+03 5.876251784e+02 8.679606128e+02 0.96 1.255054820e+03 7.890578875e+02 1.125673172e+03 1.256341550e+03 1.254851220e+03 4.611344097e+02 8.073831047e+02 1.163713475e+03 5.373643685e+02 7.941080393e+02 0.98 1.158115823e+03 7.245766925e+02 1.035210978e+03 1.159176880e+03 1.158689547e+03 4.192781799e+02 7.381050613e+02 1.074406330e+03 4.917316524e+02 7.276753430e+02 1.00 1.071896146e+03 6.649106703e+02 9.537322544e+02 1.071532204e+03 1.071620017e+03 3.810267710e+02 6.759038811e+02 9.925429455e+02 4.508115052e+02 6.690257675e+02 1.02 9.926411333e+02 6.080581543e+02 8.795779199e+02 9.913439700e+02 9.919042237e+02 3.462907322e+02 6.207274156e+02 9.148926656e+02 4.131013952e+02 6.157117128e+02 1.04 9.163354805e+02 5.549903145e+02 8.132007692e+02 9.159175895e+02 9.171878964e+02 3.164786000e+02 5.719414299e+02 8.410652776e+02 3.775734324e+02 5.678030723e+02 1.06 8.434456867e+02 5.071700264e+02 7.524336155e+02 8.444715309e+02 8.462475079e+02 2.915946284e+02 5.277189045e+02 7.728817903e+02 3.441096061e+02 5.248254784e+02 1.08 7.755639510e+02 4.650758340e+02 6.941171242e+02 7.779413988e+02 7.798538107e+02 2.685492714e+02 4.865494691e+02 7.119388705e+02 3.134396884e+02 4.853741616e+02 1.10 7.146898059e+02 4.288134144e+02 6.376784909e+02 7.175000685e+02 7.191316470e+02 2.462947638e+02 4.481815240e+02 6.578730847e+02 2.864296266e+02 4.489660176e+02 1.12 6.619171756e+02 3.963635663e+02 5.847394543e+02 6.636574219e+02 6.646231175e+02 2.252081751e+02 4.126933624e+02 6.096043345e+02 2.625251524e+02 4.138518442e+02 1.14 6.146735102e+02 3.664523395e+02 5.371746544e+02 6.150196476e+02 6.153488605e+02 2.057859059e+02 3.804247777e+02 5.652390807e+02 2.402782218e+02 3.800633815e+02 1.16 5.707601158e+02 3.386625293e+02 4.961646761e+02 5.700967841e+02 5.697485772e+02 1.885405791e+02 3.515029636e+02 5.239866961e+02 2.194947993e+02 3.483917702e+02 1.18 5.303014451e+02 3.124449781e+02 4.602183675e+02 5.288410692e+02 5.275668060e+02 1.734759633e+02 3.252815058e+02 4.858328361e+02 1.998219107e+02 3.196408994e+02 1.20 4.933091021e+02 2.871961055e+02 4.272135970e+02 4.911108122e+02 4.889347952e+02 1.595024130e+02 3.005896285e+02 4.506673323e+02 1.817789558e+02 2.945102045e+02 1.22 4.583896563e+02 2.629649503e+02 3.963563394e+02 4.558726319e+02 4.533612061e+02 1.463377773e+02 2.774417222e+02 4.172804793e+02 1.657844675e+02 2.717849623e+02 1.24 4.244877991e+02 2.401148201e+02 3.677525157e+02 4.224279193e+02 4.203727660e+02 1.341774009e+02 2.556179963e+02 3.857153075e+02 1.512896196e+02 2.493764094e+02 1.26 3.921474360e+02 2.192934600e+02 3.414747693e+02 3.910385090e+02 3.899318009e+02 1.232159907e+02 2.347745205e+02 3.564940086e+02 1.379707878e+02 2.276563379e+02 1.28 3.620193857e+02 2.009232598e+02 3.175069127e+02 3.618415281e+02 3.616605214e+02 1.135748737e+02 2.151823161e+02 3.296437479e+02 1.259210289e+02 2.072450135e+02 1.30 3.347773918e+02 1.850125621e+02 2.955152233e+02 3.353042576e+02 3.358216999e+02 1.049900951e+02 1.966668229e+02 3.053697998e+02 1.149303575e+02 1.889424204e+02 1.32 3.109611113e+02 1.708507998e+02 2.750781660e+02 3.117686507e+02 3.125634830e+02 9.706182831e+01 1.788649023e+02 2.835646438e+02 1.051495828e+02 1.736496724e+02 1.34 2.900174675e+02 1.580339323e+02 2.560789636e+02 2.907684903e+02 2.915071123e+02 8.973600649e+01 1.623301371e+02 2.633655234e+02 9.660330507e+01 1.609636480e+02 1.36 2.701188724e+02 1.459711272e+02 2.381662778e+02 2.709181057e+02 2.717058500e+02 8.296502110e+01 1.476083343e+02 2.441517707e+02 8.893831647e+01 1.489950835e+02 1.38 2.508922464e+02 1.344755072e+02 2.211135968e+02 2.519166692e+02 2.529313666e+02 7.670520861e+01 1.346229130e+02 2.259676457e+02 8.185837173e+01 1.374956776e+02 1.40 2.325402672e+02 1.236271103e+02 2.050214292e+02 2.338960550e+02 2.352443980e+02 7.091636936e+01 1.233338377e+02 2.090369674e+02 7.526321159e+01 1.265634378e+02 1.42 2.152884716e+02 1.135168356e+02 1.893236582e+02 2.168201858e+02 2.183470157e+02 6.525478949e+01 1.135827558e+02 1.935646904e+02 6.900914595e+01 1.163173833e+02 1.44 1.993644165e+02 1.041853443e+02 1.737061033e+02 2.007275458e+02 2.020883768e+02 5.952123317e+01 1.045393500e+02 1.796722189e+02 6.308066109e+01 1.068851288e+02 1.46 1.849619136e+02 9.525428942e+01 1.585641149e+02 1.858450496e+02 1.867281137e+02 5.385038002e+01 9.600463005e+01 1.670351251e+02 5.749417141e+01 9.837778658e+01 1.48 1.721733088e+02 8.675725207e+01 1.443075208e+02 1.723495132e+02 1.725271631e+02 4.837314206e+01 8.805643657e+01 1.554626055e+02 5.230497526e+01 9.084725182e+01 1.50 1.605822691e+02 7.860068564e+01 1.311625286e+02 1.600596630e+02 1.595395759e+02 4.325075145e+01 8.077247108e+01 1.446854472e+02 4.755299629e+01 8.405126622e+01 1.52 1.497569366e+02 7.053992730e+01 1.194206877e+02 1.487592172e+02 1.477649111e+02 3.872234963e+01 7.420968398e+01 1.342890966e+02 4.317749834e+01 7.773672911e+01 1.54 1.396457371e+02 6.276326473e+01 1.096936112e+02 1.384745511e+02 1.373071827e+02 3.507162224e+01 6.836906705e+01 1.242606820e+02 3.918447625e+01 7.186967294e+01 1.56 1.299809629e+02 5.557811761e+01 1.018459621e+02 1.288957020e+02 1.278139159e+02 3.223890002e+01 6.301971125e+01 1.141727813e+02 3.548431902e+01 6.633990353e+01 1.58 1.200421924e+02 4.939985973e+01 9.458905297e+01 1.191329270e+02 1.182257266e+02 2.964245875e+01 5.805152943e+01 1.041141521e+02 3.208148178e+01 6.087535479e+01 1.60 1.099758183e+02 4.420483545e+01 8.781302340e+01 1.093023547e+02 1.086288737e+02 2.723344823e+01 5.343804553e+01 9.429415369e+01 2.896778997e+01 5.552075122e+01 1.62 9.998340175e+01 3.951576150e+01 8.148654125e+01 9.959183143e+01 9.919841850e+01 2.499852140e+01 4.915462615e+01 8.495114949e+01 2.616887468e+01 5.035572848e+01 1.64 9.025135531e+01 3.545446038e+01 7.558033656e+01 9.018465428e+01 9.011620714e+01 2.292530378e+01 4.517287200e+01 7.643624045e+01 2.369927247e+01 4.546902807e+01 1.66 8.102359606e+01 3.192696937e+01 6.983088292e+01 8.129337372e+01 8.156522671e+01 2.084334499e+01 4.136882912e+01 6.900930315e+01 2.145930783e+01 4.096436788e+01 1.68 7.272688392e+01 2.870664957e+01 6.399105015e+01 7.326027276e+01 7.380258493e+01 1.859246422e+01 3.771576129e+01 6.277704230e+01 1.923394201e+01 3.695687162e+01 1.70 6.598359895e+01 2.582791048e+01 5.815243596e+01 6.659300744e+01 6.721576836e+01 1.621816887e+01 3.424023229e+01 5.788194909e+01 1.705266528e+01 3.354404159e+01 1.72 6.098093939e+01 2.328064596e+01 5.240784186e+01 6.143892634e+01 6.190775591e+01 1.372419020e+01 3.097136601e+01 5.348470576e+01 1.495697765e+01 3.069512124e+01 1.74 5.646422855e+01 2.093820287e+01 4.686243199e+01 5.674908013e+01 5.704125761e+01 1.106833787e+01 2.793914241e+01 4.937733709e+01 1.298758955e+01 2.808774459e+01 1.76 5.223907350e+01 1.877219418e+01 4.166044505e+01 5.237452079e+01 5.251408529e+01 8.208476755e+00 2.517208083e+01 4.554168149e+01 1.118640249e+01 2.566709955e+01 1.78 4.828756076e+01 1.677055331e+01 3.700734525e+01 4.831338731e+01 4.834085847e+01 5.277327503e+00 2.269245797e+01 4.196069765e+01 9.597379484e+00 2.342047973e+01 1.80 4.459286125e+01 1.492200583e+01 3.313978661e+01 4.455949022e+01 4.452636700e+01 2.884017237e+00 2.050884744e+01 3.860029062e+01 8.252401508e+00 2.133603497e+01 1.82 4.113916451e+01 1.321601835e+01 3.015862009e+01 4.109663822e+01 4.105411193e+01 1.822208198e+00 1.857744266e+01 3.539460986e+01 7.061295172e+00 1.940271318e+01 1.84 3.791161690e+01 1.164275079e+01 2.752112051e+01 3.787043566e+01 3.782925442e+01 1.153866917e+00 1.677686773e+01 3.234400760e+01 5.889707749e+00 1.761020617e+01 1.86 3.489626362e+01 1.019301160e+01 2.506413616e+01 3.485638426e+01 3.481650490e+01 5.395490258e-01 1.496001011e+01 2.945689585e+01 4.700241680e+00 1.594889925e+01 1.88 3.207999424e+01 8.858215947e+00 2.277632921e+01 3.204137502e+01 3.200275579e+01 -2.424275279e-02 1.312622924e+01 2.674358515e+01 3.510434615e+00 1.440982425e+01 1.90 2.944462352e+01 7.630346466e+00 2.064704824e+01 2.940727163e+01 2.936991975e+01 -5.407972493e-01 1.130885375e+01 2.421103488e+01 2.338778864e+00 1.297732526e+01 1.92 2.685647146e+01 6.501916622e+00 1.866628730e+01 2.682145802e+01 2.678644457e+01 -1.013206806e+00 9.537367433e+00 2.178512814e+01 1.216702239e+00 1.149550711e+01 1.94 2.428308437e+01 5.465936356e+00 1.682464752e+01 2.425201793e+01 2.422095150e+01 -1.444378567e+00 7.841105299e+00 1.945359594e+01 2.032701425e-01 9.939978549e+00 1.96 2.175064634e+01 4.515879955e+00 1.511330084e+01 2.172539105e+01 2.170013575e+01 -1.837045126e+00 6.257617783e+00 1.724365636e+01 -6.129279559e-01 8.350307456e+00 1.98 1.928688945e+01 3.645655975e+00 1.352395603e+01 1.926954254e+01 1.925219562e+01 -2.193774585e+00 4.841483100e+00 1.517945902e+01 -1.146724005e+00 6.751099914e+00 2.00 1.692359122e+01 2.849579083e+00 1.204882662e+01 1.691619903e+01 1.690880684e+01 -2.516980033e+00 3.662418563e+00 1.323591484e+01 -1.490129380e+00 5.151109930e+00 2.02 1.470019110e+01 2.122343720e+00 1.068060077e+01 1.470417829e+01 1.470816549e+01 -2.808928496e+00 2.780657376e+00 1.142414365e+01 -1.799720590e+00 3.554274629e+00 2.04 1.266562278e+01 1.458999434e+00 9.412412937e+00 1.268102887e+01 1.269643497e+01 -3.071749385e+00 2.122117757e+00 9.773808037e+00 -2.078421330e+00 1.991802373e+00 2.06 1.087394952e+01 8.549278052e-01 8.237817181e+00 1.089877359e+01 1.092359766e+01 -3.307442460e+00 1.520948027e+00 8.313573628e+00 -2.328466983e+00 5.740321753e-01 2.08 9.370806537e+00 3.058208506e-01 7.150762095e+00 9.400932495e+00 9.431058452e+00 -3.517885344e+00 9.703405584e-01 7.063974871e+00 -2.551946582e+00 -4.885348973e-01 2.10 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