# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2005--Erhart-P-Albe-K--Si-C-II # implementation = 2005--Erhart-P--Si-C-II--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 2024-11-27 r Si Si C Si C C 0.02 1.452874541e+03 1.449494874e+03 1.688911994e+03 0.04 1.372465621e+03 1.351658885e+03 1.546171423e+03 0.06 1.296363257e+03 1.260223721e+03 1.415161044e+03 0.08 1.224341133e+03 1.174777211e+03 1.294928896e+03 0.10 1.156184690e+03 1.094933508e+03 1.184599831e+03 0.12 1.091690521e+03 1.020331408e+03 1.083369331e+03 0.14 1.030665796e+03 9.506327878e+02 9.904978226e+02 0.16 9.729277147e+02 8.855211344e+02 9.053054536e+02 0.18 9.183029881e+02 8.247001727e+02 8.271672821e+02 0.20 8.666273497e+02 7.678925772e+02 7.555088568e+02 0.22 8.177450877e+02 7.148387662e+02 6.898021517e+02 0.24 7.715086037e+02 6.652957732e+02 6.295618272e+02 0.26 7.277779928e+02 6.190361888e+02 5.743417919e+02 0.28 6.864206466e+02 5.758471707e+02 5.237320412e+02 0.30 6.473108754e+02 5.355295158e+02 4.773557499e+02 0.32 6.103295505e+02 4.978967919e+02 4.348665982e+02 0.34 5.753637647e+02 4.627745238e+02 3.959463135e+02 0.36 5.423065102e+02 4.299994314e+02 3.603024093e+02 0.38 5.110563736e+02 3.994187166e+02 3.276661064e+02 0.40 4.815172455e+02 3.708893946e+02 2.977904207e+02 0.42 4.535980464e+02 3.442776685e+02 2.704484058e+02 0.44 4.272124656e+02 3.194583430e+02 2.454315359e+02 0.46 4.022787141e+02 2.963142757e+02 2.225482199e+02 0.48 3.787192903e+02 2.747358632e+02 2.016224341e+02 0.50 3.564607574e+02 2.546205599e+02 1.824924655e+02 0.52 3.354335325e+02 2.358724273e+02 1.650097564e+02 0.54 3.155716866e+02 2.184017118e+02 1.490378413e+02 0.56 2.968127548e+02 2.021244496e+02 1.344513702e+02 0.58 2.790975564e+02 1.869620969e+02 1.211352102e+02 0.60 2.623700242e+02 1.728411829e+02 1.089836190e+02 0.62 2.465770427e+02 1.596929858e+02 9.789948622e+01 0.64 2.316682942e+02 1.474532284e+02 8.779363412e+01 0.66 2.175961139e+02 1.360617942e+02 7.858417625e+01 0.68 2.043153512e+02 1.254624606e+02 7.019592682e+01 0.70 1.917832391e+02 1.156026495e+02 6.255985804e+01 0.72 1.799592700e+02 1.064331940e+02 5.561260112e+01 0.74 1.688050776e+02 9.790811939e+01 4.929598752e+01 0.76 1.582843258e+02 8.998443869e+01 4.355662721e+01 0.78 1.483626024e+02 8.262196075e+01 3.834552090e+01 0.80 1.390073186e+02 7.578311085e+01 3.361770363e+01 0.82 1.301876144e+02 6.943276264e+01 2.933191704e+01 0.84 1.218742673e+02 6.353808084e+01 2.545030818e+01 0.86 1.140396077e+02 5.806837392e+01 2.193815257e+01 0.88 1.066574370e+02 5.299495621e+01 1.876359967e+01 0.90 9.970295090e+01 4.829101884e+01 1.589743885e+01 0.92 9.315266646e+01 4.393150883e+01 1.331288439e+01 0.94 8.698435272e+01 3.989301601e+01 1.098537771e+01 0.96 8.117696519e+01 3.615366706e+01 8.892405711e+00 0.98 7.571058359e+01 3.269302643e+01 7.013333754e+00 1.00 7.056635289e+01 2.949200346e+01 5.329252159e+00 1.02 6.572642733e+01 2.653276559e+01 3.822835139e+00 1.04 6.117391746e+01 2.379865697e+01 2.478211151e+00 1.06 5.689283984e+01 2.127412240e+01 1.280843753e+00 1.08 5.286806937e+01 1.894463607e+01 2.174221088e-01 1.10 4.908529412e+01 1.679663489e+01 -7.242396169e-01 1.12 4.553097252e+01 1.481745605e+01 -1.555294715e+00 1.14 4.219229273e+01 1.299527867e+01 -2.285948878e+00 1.16 3.905713417e+01 1.131906907e+01 -2.925538251e+00 1.18 3.611403102e+01 9.778529685e+00 -3.482601141e+00 1.20 3.335213765e+01 8.364051111e+00 -3.964943899e+00 1.22 3.076119582e+01 7.066667368e+00 -4.379701443e+00 1.24 2.833150363e+01 5.878013939e+00 -4.733392853e+00 1.26 2.605388607e+01 4.790288556e+00 -5.031972442e+00 1.28 2.391966706e+01 3.796214483e+00 -5.280876666e+00 1.30 2.192064306e+01 2.889006175e+00 -5.485067206e+00 1.32 2.004905794e+01 2.062337137e+00 -5.649070530e+00 1.34 1.829757925e+01 1.310309858e+00 -5.777014238e+00 1.36 1.665927566e+01 6.274276833e-01 -5.872660421e+00 1.38 1.512759566e+01 8.568494612e-03 -5.939436297e+00 1.40 1.369634732e+01 -5.510399060e-01 -5.980462343e+00 1.42 1.235967911e+01 -1.055842827e+00 -5.998578115e+00 1.44 1.111206172e+01 -1.509980229e+00 -5.996365952e+00 1.46 9.948270920e+00 -1.917306874e+00 -5.976172733e+00 1.48 8.863371167e+00 -2.281411175e+00 -5.940129849e+00 1.50 7.852700212e+00 -2.605632816e+00 -5.890171524e+00 1.52 6.911854439e+00 -2.893079245e+00 -5.828051634e+00 1.54 6.036674993e+00 -3.146641082e+00 -5.755359133e+00 1.56 5.223234649e+00 -3.369006541e+00 -5.673532208e+00 1.58 4.467825353e+00 -3.562674908e+00 -5.583871260e+00 1.60 3.766946434e+00 -3.729969145e+00 -5.487550812e+00 1.62 3.117293429e+00 -3.873047672e+00 -5.385630429e+00 1.64 2.515747503e+00 -3.993915387e+00 -5.279064728e+00 1.66 1.959365423e+00 -4.094433965e+00 -5.168712560e+00 1.68 1.445370059e+00 -4.176331485e+00 -5.055345416e+00 1.70 9.711413993e-01 -4.241211426e+00 -4.939655146e+00 1.72 5.342080237e-01 -4.290561082e+00 -4.822261016e+00 1.74 1.322390423e-01 -4.325759420e+00 -4.703716186e+00 1.76 -2.369635461e-01 -4.348084426e+00 -4.584513635e+00 1.78 -5.754720880e-01 -4.358719967e+00 -4.465091588e+00 1.80 -8.852401266e-01 -4.358762210e+00 -4.345838494e+00 1.82 -1.168108888e+00 -4.349225606e+00 -4.227097565e+00 1.84 -1.425813424e+00 -4.331048493e+00 -4.109170947e+00 1.86 -1.659988426e+00 -4.305098323e+00 -3.981388345e+00 1.88 -1.872173735e+00 -4.272176544e+00 -3.781914701e+00 1.90 -2.063819548e+00 -4.233023162e+00 -3.510703002e+00 1.92 -2.236291356e+00 -4.188320999e+00 -3.181603211e+00 1.94 -2.390874616e+00 -4.138699672e+00 -2.810305598e+00 1.96 -2.528779169e+00 -4.084739303e+00 -2.413504317e+00 1.98 -2.651143427e+00 -4.026973986e+00 -2.008068177e+00 2.00 -2.759038332e+00 -3.965895022e+00 -1.610257296e+00 2.02 -2.853471106e+00 -3.901953937e+00 -1.235019378e+00 2.04 -2.935388796e+00 -3.835565301e+00 -8.953931004e-01 2.06 -3.005681633e+00 -3.767109357e+00 -6.020390661e-01 2.08 -3.065186205e+00 -3.696934472e+00 -3.629113019e-01 2.10 -3.114688465e+00 -3.625359424e+00 -1.830747742e-01 2.12 -3.154926571e+00 -3.552675537e+00 -6.466718866e-02 2.14 -3.186593576e+00 -3.479148671e+00 -6.996769770e-03 2.16 -3.210339975e+00 -3.405021075e+00 0.000000000e+00 2.18 -3.226776106e+00 -3.330513116e+00 0.000000000e+00 2.20 -3.236474431e+00 -3.255824894e+00 0.000000000e+00 2.22 -3.239971685e+00 -3.161555195e+00 0.000000000e+00 2.24 -3.237770913e+00 -3.030591314e+00 0.000000000e+00 2.26 -3.230343394e+00 -2.867150148e+00 0.000000000e+00 2.28 -3.218130462e+00 -2.676117886e+00 0.000000000e+00 2.30 -3.201545223e+00 -2.462881554e+00 0.000000000e+00 2.32 -3.180974187e+00 -2.233155828e+00 0.000000000e+00 2.34 -3.156778799e+00 -1.992810392e+00 0.000000000e+00 2.36 -3.129296898e+00 -1.747702704e+00 0.000000000e+00 2.38 -3.098844085e+00 -1.503520611e+00 0.000000000e+00 2.40 -3.065715025e+00 -1.265638623e+00 0.000000000e+00 2.42 -3.030184669e+00 -1.038991062e+00 0.000000000e+00 2.44 -2.992509417e+00 -8.279645875e-01 0.000000000e+00 2.46 -2.952928209e+00 -6.363118916e-01 0.000000000e+00 2.48 -2.911663559e+00 -4.670876604e-01 0.000000000e+00 2.50 -2.868922533e+00 -3.226071895e-01 0.000000000e+00 2.52 -2.824897670e+00 -2.044273924e-01 0.000000000e+00 2.54 -2.779767852e+00 -1.133493363e-01 0.000000000e+00 2.56 -2.733699127e+00 -4.944090208e-02 0.000000000e+00 2.58 -2.686845484e+00 -1.207770041e-02 0.000000000e+00 2.60 -2.639349586e+00 0.000000000e+00 0.000000000e+00 2.62 -2.591343461e+00 0.000000000e+00 0.000000000e+00 2.64 -2.542949156e+00 0.000000000e+00 0.000000000e+00 2.66 -2.494279348e+00 0.000000000e+00 0.000000000e+00 2.68 -2.445437929e+00 0.000000000e+00 0.000000000e+00 2.70 -2.396520552e+00 0.000000000e+00 0.000000000e+00 2.72 -2.347615145e+00 0.000000000e+00 0.000000000e+00 2.74 -2.298802403e+00 0.000000000e+00 0.000000000e+00 2.76 -2.243992948e+00 0.000000000e+00 0.000000000e+00 2.78 -2.147863722e+00 0.000000000e+00 0.000000000e+00 2.80 -2.009362301e+00 0.000000000e+00 0.000000000e+00 2.82 -1.835412693e+00 0.000000000e+00 0.000000000e+00 2.84 -1.634229650e+00 0.000000000e+00 0.000000000e+00 2.86 -1.414888232e+00 0.000000000e+00 0.000000000e+00 2.88 -1.186874058e+00 0.000000000e+00 0.000000000e+00 2.90 -9.596360670e-01 0.000000000e+00 0.000000000e+00 2.92 -7.421623109e-01 0.000000000e+00 0.000000000e+00 2.94 -5.425972183e-01 0.000000000e+00 0.000000000e+00 2.96 -3.679158498e-01 0.000000000e+00 0.000000000e+00 2.98 -2.236672413e-01 0.000000000e+00 0.000000000e+00 3.00 -1.137950938e-01 0.000000000e+00 0.000000000e+00 3.02 -4.054007066e-02 0.000000000e+00 0.000000000e+00 3.04 -4.423982840e-03 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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