# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1989--Tersoff-J--Si-C # implementation = 1989--Tersoff-J--Si-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 1.541800749e+03 nan nan 1.813447106e+03 nan 0.52 nan nan nan nan nan 1.340180302e+03 nan nan 1.572446523e+03 nan 0.54 nan 1.931295950e+03 nan nan nan 1.166119465e+03 1.968586232e+03 nan 1.367380092e+03 1.937549808e+03 0.56 nan 1.689944820e+03 nan nan nan 1.015199626e+03 1.724897986e+03 nan 1.190759234e+03 1.699581508e+03 0.58 nan 1.484752577e+03 2.033158005e+03 nan nan 8.862111984e+02 1.517744908e+03 2.103201885e+03 1.039097474e+03 1.497645303e+03 0.60 2.000916764e+03 1.309441145e+03 1.798562445e+03 1.998870844e+03 2.000396627e+03 7.767845392e+02 1.340429877e+03 1.864142164e+03 9.093331486e+02 1.320457996e+03 0.62 1.778591873e+03 1.157192425e+03 1.602639126e+03 1.775288717e+03 1.774217872e+03 6.845039198e+02 1.185937892e+03 1.654805327e+03 7.995018263e+02 1.163489391e+03 0.64 1.582522208e+03 1.025489595e+03 1.429489825e+03 1.580850490e+03 1.578011264e+03 6.043106787e+02 1.047139480e+03 1.472129884e+03 7.054682584e+02 1.025993146e+03 0.66 1.411660795e+03 9.091959411e+02 1.273575860e+03 1.411640784e+03 1.408882998e+03 5.314112339e+02 9.235642005e+02 1.314207272e+03 6.252003625e+02 9.063189201e+02 0.68 1.265018742e+03 8.065652736e+02 1.134872461e+03 1.265308101e+03 1.264402223e+03 4.650551263e+02 8.164524414e+02 1.176242544e+03 5.554103849e+02 8.040067770e+02 0.70 1.135187352e+03 7.145112560e+02 1.015647650e+03 1.135103008e+03 1.136159699e+03 4.078377889e+02 7.251621005e+02 1.051133771e+03 4.923941286e+02 7.175984950e+02 0.72 1.016042093e+03 6.320565308e+02 9.107560579e+02 1.016790074e+03 1.019065329e+03 3.599847009e+02 6.478414399e+02 9.376465773e+02 4.354487034e+02 6.442410541e+02 0.74 9.077901863e+02 5.605985612e+02 8.143250820e+02 9.099500006e+02 9.125751560e+02 3.193997238e+02 5.806945370e+02 8.363877668e+02 3.846071750e+02 5.802773886e+02 0.76 8.116765562e+02 5.007877182e+02 7.263870015e+02 8.143566807e+02 8.166582843e+02 2.843590249e+02 5.208729678e+02 7.487356800e+02 3.394264388e+02 5.214070577e+02 0.78 7.288706160e+02 4.509616810e+02 6.471510938e+02 7.306761346e+02 7.316728218e+02 2.525317283e+02 4.677583984e+02 6.743896472e+02 2.998263626e+02 4.662439977e+02 0.80 6.600948102e+02 4.063873846e+02 5.780974339e+02 6.591653941e+02 6.580385852e+02 2.239117044e+02 4.205440605e+02 6.096807616e+02 2.650226573e+02 4.159777894e+02 0.82 5.987918034e+02 3.641283321e+02 5.202789942e+02 5.959880270e+02 5.934211615e+02 1.986651487e+02 3.784718684e+02 5.507569739e+02 2.339123182e+02 3.705355653e+02 0.84 5.411739257e+02 3.244297142e+02 4.714891804e+02 5.381789463e+02 5.352806591e+02 1.772226165e+02 3.403076984e+02 4.965560933e+02 2.057956366e+02 3.286972222e+02 0.86 4.881726312e+02 2.882005737e+02 4.281929756e+02 4.858102204e+02 4.834480078e+02 1.584092670e+02 3.043640095e+02 4.473598150e+02 1.811635704e+02 2.917392738e+02 0.88 4.400228578e+02 2.562071514e+02 3.892981261e+02 4.388943917e+02 4.377658182e+02 1.418361873e+02 2.703401876e+02 4.032628310e+02 1.602027002e+02 2.587537069e+02 0.90 3.970383361e+02 2.290276657e+02 3.545728451e+02 3.972929370e+02 3.975473633e+02 1.275333295e+02 2.385431124e+02 3.639148402e+02 1.422561431e+02 2.293530142e+02 0.92 3.589768541e+02 2.060299425e+02 3.231156925e+02 3.602610688e+02 3.615452636e+02 1.152600699e+02 2.099073204e+02 3.286083265e+02 1.268622531e+02 2.039753311e+02 0.94 3.255502065e+02 1.857110959e+02 2.938840034e+02 3.274728775e+02 3.293956439e+02 1.042654699e+02 1.846190624e+02 2.973213607e+02 1.136416191e+02 1.830083551e+02 0.96 2.955405066e+02 1.672525473e+02 2.657292508e+02 2.976195657e+02 2.996987488e+02 9.379546710e+01 1.629886843e+02 2.691649828e+02 1.020744009e+02 1.649505714e+02 0.98 2.679522869e+02 1.499700319e+02 2.381176274e+02 2.697388102e+02 2.715254768e+02 8.347427781e+01 1.448034887e+02 2.437381314e+02 9.141479544e+01 1.483849223e+02 1.00 2.429984835e+02 1.334551789e+02 2.118567941e+02 2.441529656e+02 2.453075914e+02 7.358975448e+01 1.295024849e+02 2.211649025e+02 8.159303633e+01 1.334254168e+02 1.02 2.208106126e+02 1.177562320e+02 1.875800898e+02 2.211081802e+02 2.214058616e+02 6.437336482e+01 1.164412506e+02 2.010200954e+02 7.254172518e+01 1.201524983e+02 1.04 2.013944035e+02 1.030192030e+02 1.658422387e+02 2.007452672e+02 2.000961781e+02 5.602078675e+01 1.046576603e+02 1.823961881e+02 6.420251794e+01 1.085773767e+02 1.06 1.834066082e+02 8.944102176e+01 1.471788436e+02 1.820382841e+02 1.806699471e+02 4.874413747e+01 9.416887634e+01 1.641707098e+02 5.667549682e+01 9.816829929e+01 1.08 1.654519042e+02 7.687335732e+01 1.316394720e+02 1.639169855e+02 1.623820802e+02 4.278774733e+01 8.496225226e+01 1.464381055e+02 5.003418099e+01 8.820006964e+01 1.10 1.478883908e+02 6.569205806e+01 1.194860361e+02 1.467242447e+02 1.455601928e+02 3.829422079e+01 7.689730446e+01 1.295535640e+02 4.424855569e+01 7.873304765e+01 1.12 1.310991227e+02 5.652507004e+01 1.087426405e+02 1.304749552e+02 1.298509285e+02 3.427422976e+01 6.941102900e+01 1.138321098e+02 3.904856756e+01 6.989049863e+01 1.14 1.153750250e+02 4.926887843e+01 9.806110154e+01 1.152341539e+02 1.150934087e+02 3.002015256e+01 6.235018390e+01 9.960794589e+01 3.417628463e+01 6.178491565e+01 1.16 1.010081316e+02 4.316482161e+01 8.762780340e+01 1.012830430e+02 1.015580265e+02 2.567120882e+01 5.575156437e+01 8.737210556e+01 2.970599122e+01 5.452514193e+01 1.18 8.844875194e+01 3.812984341e+01 7.760836313e+01 8.901993530e+01 8.959113833e+01 2.129040377e+01 4.965013355e+01 7.749984406e+01 2.567653394e+01 4.821348751e+01 1.20 7.835113441e+01 3.372466215e+01 6.814737148e+01 7.899039821e+01 7.962965073e+01 1.682888595e+01 4.407685295e+01 6.980390003e+01 2.198839712e+01 4.291747568e+01 1.22 7.102621447e+01 2.991104594e+01 5.939781772e+01 7.145335465e+01 7.188047635e+01 1.210815543e+01 3.905723316e+01 6.340527915e+01 1.859137811e+01 3.858260411e+01 1.24 6.471780047e+01 2.648841487e+01 5.156227662e+01 6.492587286e+01 6.513393184e+01 6.861671674e+00 3.455976945e+01 5.740509131e+01 1.535582992e+01 3.473341337e+01 1.26 5.891499300e+01 2.338291459e+01 4.490440803e+01 5.897984634e+01 5.904469417e+01 1.050634419e+00 3.031836167e+01 5.180344820e+01 1.235096804e+01 3.122695567e+01 1.28 5.355521087e+01 2.056752440e+01 3.966573006e+01 5.355798071e+01 5.356075020e+01 -3.725378733e+00 2.636045608e+01 4.658735583e+01 9.655131219e+00 2.800022124e+01 1.30 4.836367385e+01 1.801743417e+01 3.563588371e+01 4.836334048e+01 4.836300712e+01 -4.639398594e+00 2.265426404e+01 4.160164887e+01 7.294198425e+00 2.469559228e+01 1.32 4.331350398e+01 1.570986724e+01 3.199042887e+01 4.331352215e+01 4.331354032e+01 -5.159904926e+00 1.913651171e+01 3.684429057e+01 5.042246886e+00 2.131784437e+01 1.34 3.845464587e+01 1.362391743e+01 2.865378283e+01 3.845504806e+01 3.845545025e+01 -5.609287403e+00 1.585251717e+01 3.236231136e+01 2.900065435e+00 1.796576504e+01 1.36 3.383254590e+01 1.174039891e+01 2.560172963e+01 3.383328083e+01 3.383401577e+01 -5.993898487e+00 1.284679133e+01 2.820124880e+01 9.525044251e-01 1.470415677e+01 1.38 2.949096091e+01 1.004170802e+01 2.281188232e+01 2.949191483e+01 2.949286875e+01 -6.319595096e+00 1.017763333e+01 2.440673453e+01 -6.316559062e-01 1.155890906e+01 1.40 2.547689612e+01 8.511695992e+00 2.026354740e+01 2.547792847e+01 2.547896082e+01 -6.591774919e+00 7.925599120e+00 2.102373027e+01 -1.634334769e+00 8.524511521e+00 1.42 2.184471881e+01 7.135551836e+00 1.793759928e+01 2.184570386e+01 2.184668891e+01 -6.815410146e+00 6.177195603e+00 1.803063579e+01 -2.104886257e+00 5.596086874e+00 1.44 1.865461318e+01 5.899694481e+00 1.581636392e+01 1.865547567e+01 1.865633816e+01 -6.995078822e+00 4.963980315e+00 1.539759128e+01 -2.492181896e+00 2.844136778e+00 1.46 1.596062767e+01 4.791673514e+00 1.388351104e+01 1.596135957e+01 1.596209148e+01 -7.134993956e+00 3.934384939e+00 1.314577934e+01 -2.826863288e+00 5.261041123e-01 1.48 1.378876558e+01 3.783682519e+00 1.212395423e+01 1.378941555e+01 1.379006551e+01 -7.239030568e+00 2.920245081e+00 1.127745594e+01 -3.125726324e+00 -9.071255648e-01 1.50 1.202756996e+01 2.788994308e+00 1.052375839e+01 1.202818969e+01 1.202880942e+01 -7.310750804e+00 1.933085878e+00 9.713889337e+00 -3.405656564e+00 -1.478692956e+00 1.52 1.042997104e+01 1.822282735e+00 9.070054016e+00 1.043056395e+01 1.043115686e+01 -7.353427260e+00 9.788770121e-01 8.297970159e+00 -3.655895141e+00 -1.953264648e+00 1.54 8.974083182e+00 9.093103844e-01 7.750957746e+00 8.974650436e+00 8.975217689e+00 -7.370064630e+00 6.023737202e-02 7.012309807e+00 -3.867266839e+00 -2.371011363e+00 1.56 7.648883753e+00 6.827007627e-02 6.555282183e+00 7.649426459e+00 7.649969166e+00 -7.363419816e+00 -8.202148817e-01 5.846505367e+00 -4.033797387e+00 -2.736837268e+00 1.58 6.444156607e+00 -6.915344318e-01 5.407724320e+00 6.444675828e+00 6.445195049e+00 -7.336020579e+00 -1.655512727e+00 4.790932771e+00 -4.153325193e+00 -3.055269554e+00 1.60 5.350434997e+00 -1.369353442e+00 4.271402476e+00 5.350931750e+00 5.351428502e+00 -7.290182861e+00 -2.429613373e+00 3.836690452e+00 -4.227595111e+00 -3.330485848e+00 1.62 4.358948440e+00 -1.974302889e+00 3.168961421e+00 4.359423696e+00 4.359898952e+00 -7.228026848e+00 -3.113963084e+00 2.975546999e+00 -4.261831529e+00 -3.566339699e+00 1.64 3.461573272e+00 -2.517942204e+00 2.118036003e+00 3.462027962e+00 3.462482652e+00 -7.151491884e+00 -3.668593532e+00 2.199892526e+00 -4.263830088e+00 -3.766384250e+00 1.66 2.650786650e+00 -2.961633259e+00 1.131009036e+00 2.651221664e+00 2.651656678e+00 -7.062350298e+00 -4.051694256e+00 1.502693497e+00 -4.242662516e+00 -3.933894250e+00 1.68 1.919623755e+00 -3.260679789e+00 2.157801241e-01 1.920039944e+00 1.920456133e+00 -6.962220226e+00 -4.237944506e+00 8.774507657e-01 -4.207169551e+00 -4.071886494e+00 1.70 1.261637979e+00 -3.381486196e+00 -6.223778081e-01 1.262036158e+00 1.262434338e+00 -6.852577512e+00 -4.313897062e+00 3.181606018e-01 -4.164528967e+00 -4.183138822e+00 1.72 6.708638926e-01 -3.327888499e+00 -1.378041544e+00 6.712448410e-01 6.716257894e-01 -6.734766730e+00 -4.370480550e+00 -1.807215054e-01 -4.117985764e+00 -4.270207760e+00 1.74 1.417827942e-01 -3.195946640e+00 -2.042590022e+00 1.421472575e-01 1.425117209e-01 -6.610011410e+00 -4.407906615e+00 -6.243144608e-01 -4.064797565e+00 -4.335444913e+00 1.76 -3.307093250e-01 -3.026569678e+00 -2.602267044e+00 -3.303606334e-01 -3.300119417e-01 -6.479423508e+00 -4.425594100e+00 -1.034988149e+00 -4.005487609e+00 -4.381012187e+00 1.78 -7.513315786e-01 -2.834908014e+00 -3.039365544e+00 -7.509979761e-01 -7.506643737e-01 -6.344012187e+00 -4.424472644e+00 -1.456285997e+00 -3.940888381e+00 -4.408895918e+00 1.80 -1.124445893e+00 -2.637715939e+00 -3.338062058e+00 -1.124126726e+00 -1.123807560e+00 -6.204691948e+00 -4.406660760e+00 -1.867341844e+00 -3.871758098e+00 -4.420920000e+00 1.82 -1.499775369e+00 -2.433958567e+00 -3.498759829e+00 -1.499472900e+00 -1.499170432e+00 -6.005806469e+00 -4.351380205e+00 -2.255156299e+00 -3.768319010e+00 -4.401513882e+00 1.84 -1.898317443e+00 -2.214614607e+00 -3.583362417e+00 -1.898036290e+00 -1.897755137e+00 -5.697747882e+00 -4.230601972e+00 -2.596588971e+00 -3.602505694e+00 -4.328849547e+00 1.86 -2.280417350e+00 -1.990266339e+00 -3.623453792e+00 -2.280161294e+00 -2.279905237e+00 -5.292911509e+00 -4.038381627e+00 -2.856640807e+00 -3.378745221e+00 -4.195707530e+00 1.88 -2.608015204e+00 -1.783924882e+00 -3.601767736e+00 -2.607787164e+00 -2.607559124e+00 -4.806781785e+00 -3.772593142e+00 -3.006920082e+00 -3.103165398e+00 -3.996498096e+00 1.90 -2.847411168e+00 -1.581503352e+00 -3.504257529e+00 -2.847213177e+00 -2.847015186e+00 -4.257601590e+00 -3.435960106e+00 -3.027675828e+00 -2.783757800e+00 -3.728432153e+00 1.92 -2.971577872e+00 -1.363047560e+00 -3.321619114e+00 -2.971411050e+00 -2.971244228e+00 -3.665933297e+00 -3.036949711e+00 -2.909443795e+00 -2.430458286e+00 -3.392531054e+00 1.94 -2.962043715e+00 -1.136735309e+00 -3.050570437e+00 -2.961908233e+00 -2.961772750e+00 -3.054087354e+00 -2.590506481e+00 -2.654483968e+00 -2.055112483e+00 -2.994451269e+00 1.96 -2.810442312e+00 -9.111735648e-01 -2.694926187e+00 -2.810337340e+00 -2.810232367e+00 -2.445404369e+00 -2.118555357e+00 -2.278296238e+00 -1.671298189e+00 -2.545112218e+00 1.98 -2.519912373e+00 -6.950844847e-01 -2.266534299e+00 -2.519836004e+00 -2.519759634e+00 -1.863388832e+00 -1.650102207e+00 -1.811598709e+00 -1.293979668e+00 -2.061112974e+00 2.00 -2.106645392e+00 -4.969357021e-01 -1.786145327e+00 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