# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2005--Erhart-P-Albe-K--Si-C-I # implementation = 2005--Erhart-P--Si-C-I--LAMMPS--ipr1 # NOTE: These values only provide a look at the purely pair interaction # of the potential and therefore exclude multi-body interactions. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2022-05-24 r C C C Si Si Si 0.02 1.688911994e+03 1.449494874e+03 1.814637659e+03 0.04 1.546171423e+03 1.351658885e+03 1.709394323e+03 0.06 1.415161044e+03 1.260223721e+03 1.610108553e+03 0.08 1.294928896e+03 1.174777211e+03 1.516447316e+03 0.10 1.184599831e+03 1.094933508e+03 1.428096067e+03 0.12 1.083369331e+03 1.020331408e+03 1.344757734e+03 0.14 9.904978226e+02 9.506327878e+02 1.266151747e+03 0.16 9.053054536e+02 8.855211344e+02 1.192013127e+03 0.18 8.271672821e+02 8.247001727e+02 1.122091620e+03 0.20 7.555088568e+02 7.678925772e+02 1.056150886e+03 0.22 6.898021517e+02 7.148387662e+02 9.939677250e+02 0.24 6.295618272e+02 6.652957732e+02 9.353313521e+02 0.26 5.743417919e+02 6.190361888e+02 8.800427084e+02 0.28 5.237320412e+02 5.758471707e+02 8.279138121e+02 0.30 4.773557499e+02 5.355295158e+02 7.787671449e+02 0.32 4.348665982e+02 4.978967919e+02 7.324350724e+02 0.34 3.959463135e+02 4.627745238e+02 6.887592961e+02 0.36 3.603024093e+02 4.299994314e+02 6.475903365e+02 0.38 3.276661064e+02 3.994187166e+02 6.087870439e+02 0.40 2.977904207e+02 3.708893946e+02 5.722161369e+02 0.42 2.704484058e+02 3.442776685e+02 5.377517660e+02 0.44 2.454315359e+02 3.194583430e+02 5.052751015e+02 0.46 2.225482199e+02 2.963142757e+02 4.746739441e+02 0.48 2.016224341e+02 2.747358632e+02 4.458423573e+02 0.50 1.824924655e+02 2.546205599e+02 4.186803198e+02 0.52 1.650097564e+02 2.358724273e+02 3.930933969e+02 0.54 1.490378413e+02 2.184017118e+02 3.689924311e+02 0.56 1.344513702e+02 2.021244496e+02 3.462932486e+02 0.58 1.211352102e+02 1.869620969e+02 3.249163827e+02 0.60 1.089836190e+02 1.728411829e+02 3.047868123e+02 0.62 9.789948622e+01 1.596929858e+02 2.858337153e+02 0.64 8.779363412e+01 1.474532284e+02 2.679902347e+02 0.66 7.858417625e+01 1.360617942e+02 2.511932588e+02 0.68 7.019592682e+01 1.254624606e+02 2.353832127e+02 0.70 6.255985804e+01 1.156026495e+02 2.205038615e+02 0.72 5.561260112e+01 1.064331940e+02 2.065021249e+02 0.74 4.929598752e+01 9.790811939e+01 1.933279015e+02 0.76 4.355662721e+01 8.998443869e+01 1.809339031e+02 0.78 3.834552090e+01 8.262196075e+01 1.692754980e+02 0.80 3.361770363e+01 7.578311085e+01 1.583105632e+02 0.82 2.933191704e+01 6.943276264e+01 1.479993448e+02 0.84 2.545030818e+01 6.353808084e+01 1.383043257e+02 0.86 2.193815257e+01 5.806837392e+01 1.291901013e+02 0.88 1.876359967e+01 5.299495621e+01 1.206232615e+02 0.90 1.589743885e+01 4.829101884e+01 1.125722794e+02 0.92 1.331288439e+01 4.393150883e+01 1.050074069e+02 0.94 1.098537771e+01 3.989301601e+01 9.790057452e+01 0.96 8.892405711e+00 3.615366706e+01 9.122529841e+01 0.98 7.013333754e+00 3.269302643e+01 8.495659150e+01 1.00 5.329252159e+00 2.949200346e+01 7.907088000e+01 1.02 3.822835139e+00 2.653276559e+01 7.354592439e+01 1.04 2.478211151e+00 2.379865697e+01 6.836074485e+01 1.06 1.280843753e+00 2.127412240e+01 6.349555081e+01 1.08 2.174221088e-01 1.894463607e+01 5.893167447e+01 1.10 -7.242396169e-01 1.679663489e+01 5.465150787e+01 1.12 -1.555294715e+00 1.481745605e+01 5.063844364e+01 1.14 -2.285948878e+00 1.299527867e+01 4.687681891e+01 1.16 -2.925538251e+00 1.131906907e+01 4.335186239e+01 1.18 -3.482601141e+00 9.778529685e+00 4.004964438e+01 1.20 -3.964943899e+00 8.364051111e+00 3.695702956e+01 1.22 -4.379701443e+00 7.066667368e+00 3.406163243e+01 1.24 -4.733392853e+00 5.878013939e+00 3.135177519e+01 1.26 -5.031972442e+00 4.790288556e+00 2.881644800e+01 1.28 -5.280876666e+00 3.796214483e+00 2.644527142e+01 1.30 -5.485067206e+00 2.889006175e+00 2.422846096e+01 1.32 -5.649070530e+00 2.062337137e+00 2.215679362e+01 1.34 -5.777014238e+00 1.310309858e+00 2.022157627e+01 1.36 -5.872660421e+00 6.274276833e-01 1.841461580e+01 1.38 -5.939436297e+00 8.568494612e-03 1.672819091e+01 1.40 -5.980462343e+00 -5.510399060e-01 1.515502555e+01 1.42 -5.998578115e+00 -1.055842827e+00 1.368826374e+01 1.44 -5.996365952e+00 -1.509980229e+00 1.232144588e+01 1.46 -5.976172733e+00 -1.917306874e+00 1.104848633e+01 1.48 -5.940129849e+00 -2.281411175e+00 9.863652262e+00 1.50 -5.890171524e+00 -2.605632816e+00 8.761543692e+00 1.52 -5.828051634e+00 -2.893079245e+00 7.737074640e+00 1.54 -5.755359133e+00 -3.146641082e+00 6.785455317e+00 1.56 -5.673532208e+00 -3.369006541e+00 5.902175330e+00 1.58 -5.583871260e+00 -3.562674908e+00 5.082987818e+00 1.60 -5.487550812e+00 -3.729969145e+00 4.323894481e+00 1.62 -5.385630429e+00 -3.873047672e+00 3.621131440e+00 1.64 -5.279064728e+00 -3.993915387e+00 2.971155898e+00 1.66 -5.168712560e+00 -4.094433965e+00 2.370633542e+00 1.68 -5.055345416e+00 -4.176331485e+00 1.816426659e+00 1.70 -4.939655146e+00 -4.241211426e+00 1.305582908e+00 1.72 -4.822261016e+00 -4.290561082e+00 8.353247349e-01 1.74 -4.703716186e+00 -4.325759420e+00 4.030393711e-01 1.76 -4.584513635e+00 -4.348084426e+00 6.269402127e-03 1.78 -4.465091588e+00 -4.358719967e+00 -3.572961378e-01 1.80 -4.345838494e+00 -4.358762210e+00 -6.898301688e-01 1.82 -4.227097565e+00 -4.349225606e+00 -9.933754950e-01 1.84 -4.109170947e+00 -4.331048493e+00 -1.269852288e+00 1.86 -3.981388345e+00 -4.305098323e+00 -1.521065150e+00 1.88 -3.781914701e+00 -4.272176544e+00 -1.748709772e+00 1.90 -3.510703002e+00 -4.233023162e+00 -1.954379229e+00 1.92 -3.181603211e+00 -4.188320999e+00 -2.139569903e+00 1.94 -2.810305598e+00 -4.138699672e+00 -2.305687088e+00 1.96 -2.413504317e+00 -4.084739303e+00 -2.454050266e+00 1.98 -2.008068177e+00 -4.026973986e+00 -2.585898088e+00 2.00 -1.610257296e+00 -3.965895022e+00 -2.702393076e+00 2.02 -1.235019378e+00 -3.901953937e+00 -2.804626055e+00 2.04 -8.953931004e-01 -3.835565301e+00 -2.893620334e+00 2.06 -6.020390661e-01 -3.767109357e+00 -2.970335650e+00 2.08 -3.629113019e-01 -3.696934472e+00 -3.035671891e+00 2.10 -1.830747742e-01 -3.625359424e+00 -3.090472600e+00 2.12 -6.466718866e-02 -3.552675537e+00 -3.135528287e+00 2.14 -6.996769770e-03 -3.479148671e+00 -3.171579550e+00 2.16 0.000000000e+00 -3.405021075e+00 -3.199320013e+00 2.18 0.000000000e+00 -3.330513116e+00 -3.219399107e+00 2.20 0.000000000e+00 -3.255824894e+00 -3.232424681e+00 2.22 0.000000000e+00 -3.161555195e+00 -3.238965470e+00 2.24 0.000000000e+00 -3.030591314e+00 -3.239553421e+00 2.26 0.000000000e+00 -2.867150148e+00 -3.234685884e+00 2.28 0.000000000e+00 -2.676117886e+00 -3.224827678e+00 2.30 0.000000000e+00 -2.462881554e+00 -3.210413041e+00 2.32 0.000000000e+00 -2.233155828e+00 -3.191847461e+00 2.34 0.000000000e+00 -1.992810392e+00 -3.169509410e+00 2.36 0.000000000e+00 -1.747702704e+00 -3.143751972e+00 2.38 0.000000000e+00 -1.503520611e+00 -3.114904380e+00 2.40 0.000000000e+00 -1.265638623e+00 -3.083273463e+00 2.42 0.000000000e+00 -1.038991062e+00 -3.049145007e+00 2.44 0.000000000e+00 -8.279645875e-01 -3.012785046e+00 2.46 0.000000000e+00 -6.363118916e-01 -2.974441063e+00 2.48 0.000000000e+00 -4.670876604e-01 -2.934343138e+00 2.50 0.000000000e+00 -3.226071895e-01 -2.892705015e+00 2.52 0.000000000e+00 -2.044273924e-01 -2.849725116e+00 2.54 0.000000000e+00 -1.133493363e-01 -2.805587492e+00 2.56 0.000000000e+00 -4.944090208e-02 -2.760462717e+00 2.58 0.000000000e+00 -1.207770041e-02 -2.714508736e+00 2.60 0.000000000e+00 0.000000000e+00 -2.667871653e+00 2.62 0.000000000e+00 0.000000000e+00 -2.620686482e+00 2.64 0.000000000e+00 0.000000000e+00 -2.573077850e+00 2.66 0.000000000e+00 0.000000000e+00 -2.525160656e+00 2.68 0.000000000e+00 0.000000000e+00 -2.477040698e+00 2.70 0.000000000e+00 0.000000000e+00 -2.398367517e+00 2.72 0.000000000e+00 0.000000000e+00 -2.262698180e+00 2.74 0.000000000e+00 0.000000000e+00 -2.077969821e+00 2.76 0.000000000e+00 0.000000000e+00 -1.854319483e+00 2.78 0.000000000e+00 0.000000000e+00 -1.603466278e+00 2.80 0.000000000e+00 0.000000000e+00 -1.338037482e+00 2.82 0.000000000e+00 0.000000000e+00 -1.070876882e+00 2.84 0.000000000e+00 0.000000000e+00 -8.143727592e-01 2.86 0.000000000e+00 0.000000000e+00 -5.798400128e-01 2.88 0.000000000e+00 0.000000000e+00 -3.769863611e-01 2.90 0.000000000e+00 0.000000000e+00 -2.134866159e-01 2.92 0.000000000e+00 0.000000000e+00 -9.468214193e-02 2.94 0.000000000e+00 0.000000000e+00 -2.341516187e-02 2.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.00 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.28 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.30 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.32 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.00 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.28 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.30 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.32 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.00 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.02 0.000000000e+00 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