# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2014--Kang-K-H-Eun-T-Jun-M-C-Lee-B-J--Si-C # implementation = 2014--Kang-K-H--Si-C--LAMMPS--ipr1 # composition = CSi2 # 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 C1--CaF2--fluori 0.50 nan 0.52 nan 0.54 nan 0.56 nan 0.58 nan 0.60 nan 0.62 nan 0.64 nan 0.66 nan 0.68 nan 0.70 nan 0.72 nan 0.74 nan 0.76 nan 0.78 2.691866429e+02 0.80 2.508853526e+02 0.82 2.337051023e+02 0.84 2.175807682e+02 0.86 2.024508876e+02 0.88 1.882574580e+02 0.90 1.749457465e+02 0.92 1.624641101e+02 0.94 1.507638251e+02 0.96 1.397989263e+02 0.98 1.295260546e+02 1.00 1.199043131e+02 1.02 1.108951315e+02 1.04 1.024621382e+02 1.06 9.457104115e+01 1.08 8.718951839e+01 1.10 8.028711890e+01 1.12 7.383517653e+01 1.14 6.780673875e+01 1.16 6.217651052e+01 1.18 5.692081280e+01 1.20 5.201755061e+01 1.22 4.744618315e+01 1.24 4.318768430e+01 1.26 3.922448099e+01 1.28 3.554035750e+01 1.30 3.212031772e+01 1.32 2.895040423e+01 1.34 2.601748084e+01 1.36 2.330899336e+01 1.38 2.081272990e+01 1.40 1.851660492e+01 1.42 1.640849120e+01 1.44 1.447611927e+01 1.46 1.270705624e+01 1.48 1.108876642e+01 1.50 9.608745414e+00 1.52 8.254710283e+00 1.54 7.014821307e+00 1.56 5.877907365e+00 1.58 4.833668043e+00 1.60 3.872829607e+00 1.62 2.987240015e+00 1.64 2.169896477e+00 1.66 1.414908522e+00 1.68 7.174063499e-01 1.70 7.340945645e-02 1.72 -5.203276323e-01 1.74 -1.066476243e+00 1.76 -1.567287235e+00 1.78 -2.024727461e+00 1.80 -2.440592867e+00 1.82 -2.816595840e+00 1.84 -3.154427314e+00 1.86 -3.455796212e+00 1.88 -3.722449989e+00 1.90 -3.956180450e+00 1.92 -4.158818982e+00 1.94 -4.332224830e+00 1.96 -4.478269463e+00 1.98 -4.598819383e+00 2.00 -4.695719098e+00 2.02 -4.770775402e+00 2.04 -4.825743662e+00 2.06 -4.862316458e+00 2.08 -4.882114655e+00 2.10 -4.886680825e+00 2.12 -4.877474831e+00 2.14 -4.855871302e+00 2.16 -4.823158730e+00 2.18 -4.780539918e+00 2.20 -4.729133489e+00 2.22 -4.669976260e+00 2.24 -4.604026225e+00 2.26 -4.532166008e+00 2.28 -4.455206612e+00 2.30 -4.373891346e+00 2.32 -4.288899842e+00 2.34 -4.200852061e+00 2.36 -4.110312253e+00 2.38 -4.017792808e+00 2.40 -3.923757970e+00 2.42 -3.828627387e+00 2.44 -3.732779496e+00 2.46 -3.636554711e+00 2.48 -3.540258433e+00 2.50 -3.444163866e+00 2.52 -3.348514654e+00 2.54 -3.253527332e+00 2.56 -3.159393608e+00 2.58 -3.066282483e+00 2.60 -2.974342206e+00 2.62 -2.883702092e+00 2.64 -2.794474189e+00 2.66 -2.706754829e+00 2.68 -2.620626041e+00 2.70 -2.536156869e+00 2.72 -2.453404568e+00 2.74 -2.372415714e+00 2.76 -2.293227219e+00 2.78 -2.215867265e+00 2.80 -2.140356155e+00 2.82 -2.066707102e+00 2.84 -1.994926945e+00 2.86 -1.925016805e+00 2.88 -1.856972692e+00 2.90 -1.790786053e+00 2.92 -1.726444277e+00 2.94 -1.663931153e+00 2.96 -1.603227297e+00 2.98 -1.544310527e+00 3.00 -1.487156222e+00 3.02 -1.431737638e+00 3.04 -1.378026197e+00 3.06 -1.325991756e+00 3.08 -1.275602846e+00 3.10 -1.226826890e+00 3.12 -1.179630404e+00 3.14 -1.133979178e+00 3.16 -1.089838436e+00 3.18 -1.047172986e+00 3.20 -1.005947355e+00 3.22 -9.661259031e-01 3.24 -9.276729404e-01 3.26 -8.905528175e-01 3.28 -8.547300151e-01 3.30 -8.201692217e-01 3.32 -7.868354021e-01 3.34 -7.546938597e-01 3.36 -7.237102904e-01 3.38 -6.938508302e-01 3.40 -6.650820976e-01 3.42 -6.373712295e-01 3.44 -6.106859126e-01 3.46 -5.849944108e-01 3.48 -5.602655871e-01 3.50 -5.364689231e-01 3.52 -5.135745344e-01 3.54 -4.915531827e-01 3.56 -4.703762855e-01 3.58 -4.500159229e-01 3.60 -4.304448426e-01 3.62 -4.116364617e-01 3.64 -3.935648678e-01 3.66 -3.762048180e-01 3.68 -3.595317356e-01 3.70 -3.435217065e-01 3.72 -3.281514741e-01 3.74 -3.133984323e-01 3.76 -2.992406188e-01 3.78 -2.856567063e-01 3.80 -2.726259942e-01 3.82 -2.601283984e-01 3.84 -2.481444412e-01 3.86 -2.366552409e-01 3.88 -2.256425007e-01 3.90 -2.150884968e-01 3.92 -2.050779970e-01 3.94 -1.967423405e-01 3.96 -1.878028385e-01 3.98 -1.411256891e-01 4.00 -1.891406838e-22 4.02 0.000000000e+00 4.04 0.000000000e+00 4.06 0.000000000e+00 4.08 0.000000000e+00 4.10 0.000000000e+00 4.12 0.000000000e+00 4.14 0.000000000e+00 4.16 0.000000000e+00 4.18 0.000000000e+00 4.20 0.000000000e+00 4.22 0.000000000e+00 4.24 0.000000000e+00 4.26 0.000000000e+00 4.28 0.000000000e+00 4.30 0.000000000e+00 4.32 0.000000000e+00 4.34 0.000000000e+00 4.36 0.000000000e+00 4.38 0.000000000e+00 4.40 0.000000000e+00 4.42 0.000000000e+00 4.44 0.000000000e+00 4.46 0.000000000e+00 4.48 0.000000000e+00 4.50 0.000000000e+00 4.52 0.000000000e+00 4.54 0.000000000e+00 4.56 0.000000000e+00 4.58 0.000000000e+00 4.60 0.000000000e+00 4.62 0.000000000e+00 4.64 0.000000000e+00 4.66 0.000000000e+00 4.68 0.000000000e+00 4.70 0.000000000e+00 4.72 0.000000000e+00 4.74 0.000000000e+00 4.76 0.000000000e+00 4.78 0.000000000e+00 4.80 0.000000000e+00 4.82 0.000000000e+00 4.84 0.000000000e+00 4.86 0.000000000e+00 4.88 0.000000000e+00 4.90 0.000000000e+00 4.92 0.000000000e+00 4.94 0.000000000e+00 4.96 0.000000000e+00 4.98 0.000000000e+00 5.00 0.000000000e+00 5.02 0.000000000e+00 5.04 0.000000000e+00 5.06 0.000000000e+00 5.08 0.000000000e+00 5.10 0.000000000e+00 5.12 0.000000000e+00 5.14 0.000000000e+00 5.16 0.000000000e+00 5.18 0.000000000e+00 5.20 0.000000000e+00 5.22 0.000000000e+00 5.24 0.000000000e+00 5.26 0.000000000e+00 5.28 0.000000000e+00 5.30 0.000000000e+00 5.32 0.000000000e+00 5.34 0.000000000e+00 5.36 0.000000000e+00 5.38 0.000000000e+00 5.40 0.000000000e+00 5.42 0.000000000e+00 5.44 0.000000000e+00 5.46 0.000000000e+00 5.48 0.000000000e+00 5.50 0.000000000e+00 5.52 0.000000000e+00 5.54 0.000000000e+00 5.56 0.000000000e+00 5.58 0.000000000e+00 5.60 0.000000000e+00 5.62 0.000000000e+00 5.64 0.000000000e+00 5.66 0.000000000e+00 5.68 0.000000000e+00 5.70 0.000000000e+00 5.72 0.000000000e+00 5.74 0.000000000e+00 5.76 0.000000000e+00 5.78 0.000000000e+00 5.80 0.000000000e+00 5.82 0.000000000e+00 5.84 0.000000000e+00 5.86 0.000000000e+00 5.88 0.000000000e+00 5.90 0.000000000e+00 5.92 0.000000000e+00 5.94 0.000000000e+00 5.96 0.000000000e+00 5.98 0.000000000e+00 6.00 0.000000000e+00