# 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_004 # 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 2022-10-04 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 8.532579330e+02 nan nan nan nan 0.58 nan nan nan nan nan 7.438085271e+02 nan nan 8.664120457e+02 nan 0.60 nan nan nan nan nan 6.501390306e+02 nan nan 7.563281841e+02 nan 0.62 nan nan nan nan nan 5.700556638e+02 nan nan 6.618809342e+02 nan 0.64 nan 8.428624822e+02 nan nan nan 5.013790888e+02 8.653517542e+02 nan 5.809093758e+02 8.526270377e+02 0.66 nan 7.442779206e+02 nan nan nan 4.416503503e+02 7.635024473e+02 nan 5.109698683e+02 7.524072091e+02 0.68 nan 6.578986144e+02 nan nan nan 3.885945023e+02 6.741046253e+02 nan 4.505996882e+02 6.650867878e+02 0.70 nan 5.820992460e+02 8.333058117e+02 nan nan 3.416662950e+02 5.962868345e+02 nan 3.979353671e+02 5.893478977e+02 0.72 8.350463761e+02 5.149157365e+02 7.435746859e+02 8.349925442e+02 8.353987976e+02 3.010271167e+02 5.288199297e+02 7.705835135e+02 3.513174661e+02 5.239922466e+02 0.74 7.461591263e+02 4.554883885e+02 6.642518922e+02 7.464523765e+02 7.471861877e+02 2.660696830e+02 4.703587713e+02 6.871221988e+02 3.099993097e+02 4.671149093e+02 0.76 6.668183591e+02 4.036268324e+02 5.930147219e+02 6.675180075e+02 6.683134306e+02 2.358692074e+02 4.190545290e+02 6.131822704e+02 2.735429449e+02 4.172286716e+02 0.78 5.964878009e+02 3.588695371e+02 5.291204804e+02 5.973176923e+02 5.980043288e+02 2.093910539e+02 3.735659111e+02 5.483325802e+02 2.414068686e+02 3.723858053e+02 0.80 5.348054942e+02 3.202629278e+02 4.721232965e+02 5.353538294e+02 5.356458266e+02 1.857534454e+02 3.333125973e+02 4.917887653e+02 2.132056587e+02 3.318142432e+02 0.82 4.813670002e+02 2.859226688e+02 4.219021217e+02 4.810672826e+02 4.807167306e+02 1.647353469e+02 2.976577186e+02 4.418468829e+02 1.883660888e+02 2.955098331e+02 0.84 4.337214174e+02 2.546686948e+02 3.782912595e+02 4.328492334e+02 4.320544235e+02 1.461610460e+02 2.659951980e+02 3.970056629e+02 1.663160186e+02 2.631508886e+02 0.86 3.902734270e+02 2.262726789e+02 3.402454649e+02 3.893409862e+02 3.884396506e+02 1.300280138e+02 2.377034821e+02 3.564900560e+02 1.466195945e+02 2.339427052e+02 0.88 3.509540349e+02 2.007565320e+02 3.063595834e+02 3.502097840e+02 3.494655751e+02 1.157895468e+02 2.119494617e+02 3.200538355e+02 1.292331510e+02 2.080225840e+02 0.90 3.155373198e+02 1.781244467e+02 2.760159370e+02 3.151626441e+02 3.147879547e+02 1.031886679e+02 1.884715095e+02 2.874477304e+02 1.141046110e+02 1.849063579e+02 0.92 2.838265847e+02 1.583815134e+02 2.489011786e+02 2.838864907e+02 2.839463663e+02 9.214038524e+01 1.670574362e+02 2.583288434e+02 1.008987430e+02 1.642322372e+02 0.94 2.555930043e+02 1.412595733e+02 2.245861375e+02 2.559681781e+02 2.563433484e+02 8.249358476e+01 1.478159948e+02 2.322299433e+02 8.937845223e+01 1.460345767e+02 0.96 2.304451594e+02 1.261065189e+02 2.024773473e+02 2.310261286e+02 2.316071194e+02 7.390277688e+01 1.306551812e+02 2.089301037e+02 7.932799562e+01 1.303169372e+02 0.98 2.079294655e+02 1.125146794e+02 1.822207425e+02 2.085956480e+02 2.092618568e+02 6.612073181e+01 1.155724247e+02 1.880316665e+02 7.052243766e+01 1.166286802e+02 1.00 1.874745211e+02 1.002158551e+02 1.632828632e+02 1.880808448e+02 1.886871976e+02 5.885038507e+01 1.024662478e+02 1.692019791e+02 6.259852342e+01 1.042358709e+02 1.02 1.690058387e+02 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3.855543680e+01 7.367065053e+01 8.926905331e+01 8.899388306e+01 2.440519860e+01 4.562326795e+01 7.823833608e+01 2.547843716e+01 4.673435266e+01 1.16 7.945819106e+01 3.331524524e+01 6.606415715e+01 7.934395489e+01 7.922974422e+01 2.151851920e+01 4.053585834e+01 6.895820740e+01 2.219422803e+01 4.121074067e+01 1.18 7.016775708e+01 2.879706197e+01 5.890398626e+01 7.020650811e+01 7.024527797e+01 1.871907129e+01 3.588117037e+01 6.061998355e+01 1.921138130e+01 3.622578789e+01 1.20 6.173117081e+01 2.497360709e+01 5.220497785e+01 6.190953285e+01 6.208790880e+01 1.600381099e+01 3.164168293e+01 5.342910171e+01 1.654211038e+01 3.179261137e+01 1.22 5.436156174e+01 2.164211092e+01 4.596724447e+01 5.462517066e+01 5.488879468e+01 1.330262709e+01 2.780076369e+01 4.738441002e+01 1.413359166e+01 2.793189784e+01 1.24 4.836998196e+01 1.873914283e+01 4.019039496e+01 4.860083488e+01 4.883169986e+01 1.044444680e+01 2.434384808e+01 4.239006160e+01 1.195707212e+01 2.464857778e+01 1.26 4.343302391e+01 1.619496514e+01 3.490022522e+01 4.356238338e+01 4.369174826e+01 7.104924274e+00 2.125892088e+01 3.787071804e+01 9.951663477e+00 2.181020346e+01 1.28 3.894482670e+01 1.391727871e+01 3.017760942e+01 3.899900404e+01 3.905318309e+01 2.805675906e+00 1.849108448e+01 3.372548735e+01 8.082172674e+00 1.925390922e+01 1.30 3.486439060e+01 1.188016182e+01 2.615475155e+01 3.487514647e+01 3.488590258e+01 -2.363400879e+00 1.594903261e+01 2.993257282e+01 6.363606770e+00 1.695237235e+01 1.32 3.113232429e+01 1.006033363e+01 2.292971688e+01 3.113212777e+01 3.113193126e+01 -4.969966539e+00 1.363694679e+01 2.645675260e+01 4.824751020e+00 1.485015512e+01 1.34 2.763019469e+01 8.436692954e+00 2.017280480e+01 2.763006365e+01 2.762993260e+01 -5.465576913e+00 1.149441992e+01 2.322146044e+01 3.394409113e+00 1.281923382e+01 1.36 2.434755079e+01 6.990116728e+00 1.767991036e+01 2.434751210e+01 2.434747340e+01 -5.887511087e+00 9.504293789e+00 2.021869350e+01 1.975257162e+00 1.087382159e+01 1.38 2.128268837e+01 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5.537214983e-01 5.884844276e+00 7.620422464e+00 7.620622916e+00 -7.310069339e+00 8.029667160e-01 5.788377415e+00 -3.162282316e+00 -1.221401632e+00 1.52 6.282473665e+00 1.481587968e-02 4.809184530e+00 6.282660473e+00 6.282847281e+00 -7.355171797e+00 2.052167454e-01 4.645989615e+00 -3.347415971e+00 -2.089862396e+00 1.54 5.155957320e+00 -4.836044222e-01 3.846424639e+00 5.156137050e+00 5.156316780e+00 -7.372714037e+00 -3.575483850e-01 3.669759184e+00 -3.519971531e+00 -2.455034288e+00 1.56 4.143459766e+00 -9.392373652e-01 2.986200051e+00 4.143632687e+00 4.143805609e+00 -7.365815442e+00 -8.913704495e-01 2.796396510e+00 -3.676353167e+00 -2.770623225e+00 1.58 3.234920162e+00 -1.347342926e+00 2.219052803e+00 3.235086533e+00 3.235252904e+00 -7.337310622e+00 -1.404748982e+00 2.016589913e+00 -3.813944589e+00 -3.041455733e+00 1.60 2.421133852e+00 -1.707944630e+00 1.536353682e+00 2.421293921e+00 2.421453989e+00 -7.289773573e+00 -1.905794131e+00 1.321832760e+00 -3.931604417e+00 -3.271860539e+00 1.62 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-4.202234480e+00 -4.004142282e+00 1.74 -1.248349072e+00 -3.184513690e+00 -1.974180311e+00 -1.248226918e+00 -1.248104765e+00 -6.595045869e+00 -4.063087665e+00 -1.735916768e+00 -4.159360960e+00 -4.044851979e+00 1.76 -1.554956812e+00 -3.078949258e+00 -2.330925600e+00 -1.554839286e+00 -1.554721760e+00 -6.463179170e+00 -4.065029694e+00 -1.980657710e+00 -4.091965987e+00 -4.068574260e+00 1.78 -1.821539037e+00 -2.922182268e+00 -2.656902765e+00 -1.821425963e+00 -1.821312890e+00 -6.326837609e+00 -4.054592997e+00 -2.190459111e+00 -4.018326462e+00 -4.077192574e+00 1.80 -2.051892776e+00 -2.757494639e+00 -2.943842984e+00 -2.051783986e+00 -2.051675195e+00 -6.186950966e+00 -4.032264861e+00 -2.369448399e+00 -3.940944075e+00 -4.072419481e+00 1.82 -2.249488117e+00 -2.599218823e+00 -3.176113160e+00 -2.249383448e+00 -2.249278779e+00 -6.044352764e+00 -3.999704349e+00 -2.531273089e+00 -3.860485032e+00 -4.055811115e+00 1.84 -2.417495294e+00 -2.459593528e+00 -3.334827499e+00 -2.417394590e+00 -2.417293886e+00 -5.899788816e+00 -3.959470709e+00 -2.673107105e+00 -3.777548205e+00 -4.028780462e+00 1.86 -2.561498550e+00 -2.340438408e+00 -3.405462055e+00 -2.561401821e+00 -2.561305092e+00 -5.742314996e+00 -3.909777509e+00 -2.787572946e+00 -3.686167875e+00 -3.988789659e+00 1.88 -2.693391849e+00 -2.210138409e+00 -3.406407399e+00 -2.693300016e+00 -2.693208183e+00 -5.505264866e+00 -3.822021470e+00 -2.866979082e+00 -3.548713962e+00 -3.912462531e+00 1.90 -2.801154853e+00 -2.048136325e+00 -3.373125901e+00 -2.801068860e+00 -2.800982867e+00 -5.184485661e+00 -3.687496070e+00 -2.899603495e+00 -3.361755572e+00 -3.793097546e+00 1.92 -2.870595898e+00 -1.865650205e+00 -3.299116450e+00 -2.870516550e+00 -2.870437202e+00 -4.789220297e+00 -3.502864307e+00 -2.875967481e+00 -3.129149461e+00 -3.628210814e+00 1.94 -2.889653920e+00 -1.681838418e+00 -3.178870872e+00 -2.889581887e+00 -2.889509854e+00 -4.330433476e+00 -3.265991850e+00 -2.789792774e+00 -2.855662599e+00 -3.416318151e+00 1.96 -2.848979419e+00 -1.479255061e+00 -3.008606501e+00 -2.848915244e+00 -2.848851069e+00 -3.821009188e+00 -2.976424875e+00 -2.638147273e+00 -2.547204797e+00 -3.157262600e+00 1.98 -2.742262482e+00 -1.263652368e+00 -2.786505883e+00 -2.742206586e+00 -2.742150690e+00 -3.275945293e+00 -2.636350586e+00 -2.421375813e+00 -2.211085651e+00 -2.852484268e+00 2.00 -2.566332622e+00 -1.042144748e+00 -2.512856701e+00 -2.566285309e+00 -2.566237995e+00 -2.712501818e+00 -2.252504442e+00 -2.142876122e+00 -1.856302507e+00 -2.505303724e+00 2.02 -2.321079787e+00 -8.226058482e-01 -2.190188058e+00 -2.321041245e+00 -2.321002703e+00 -2.150225717e+00 -1.839432919e+00 -1.808896454e+00 -1.493847547e+00 -2.121352211e+00 2.04 -2.009309937e+00 -6.135114755e-01 -1.823617907e+00 -2.009280225e+00 -2.009250513e+00 -1.610722423e+00 -1.421182123e+00 -1.429117816e+00 -1.136971653e+00 -1.709387739e+00 2.06 -1.636855398e+00 -4.236186199e-01 -1.421909813e+00 -1.636834391e+00 -1.636813383e+00 -1.116986959e+00 -1.017665460e+00 -1.021510025e+00 -8.012452012e-01 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