# 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 = 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 2022-10-04 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 2.470457118e+03 0.66 2.214843961e+03 0.68 1.987623229e+03 0.70 1.788969200e+03 0.72 1.612833431e+03 0.74 1.456266453e+03 0.76 1.316692041e+03 0.78 1.192847765e+03 0.80 1.080258048e+03 0.82 9.793678145e+02 0.84 8.893471250e+02 0.86 8.102895035e+02 0.88 7.402421473e+02 0.90 6.766773515e+02 0.92 6.189500950e+02 0.94 5.661882665e+02 0.96 5.176870513e+02 0.98 4.722750577e+02 1.00 4.305302061e+02 1.02 3.931865416e+02 1.04 3.607017314e+02 1.06 3.312759365e+02 1.08 3.033518464e+02 1.10 2.773869514e+02 1.12 2.538801658e+02 1.14 2.331835461e+02 1.16 2.148458809e+02 1.18 1.972898510e+02 1.20 1.803689154e+02 1.22 1.642223075e+02 1.24 1.489366538e+02 1.26 1.345473178e+02 1.28 1.210652777e+02 1.30 1.084537131e+02 1.32 9.708731024e+01 1.34 8.734754275e+01 1.36 7.934727931e+01 1.38 7.224958058e+01 1.40 6.549755899e+01 1.42 5.918233349e+01 1.44 5.340421685e+01 1.46 4.825949297e+01 1.48 4.380401890e+01 1.50 3.985233602e+01 1.52 3.620547784e+01 1.54 3.284109491e+01 1.56 2.973845780e+01 1.58 2.687833879e+01 1.60 2.424290230e+01 1.62 2.181560357e+01 1.64 1.958109473e+01 1.66 1.742039185e+01 1.68 1.523084541e+01 1.70 1.306188842e+01 1.72 1.095565255e+01 1.74 8.949576190e+00 1.76 7.090823379e+00 1.78 5.456083233e+00 1.80 4.149523219e+00 1.82 3.223665358e+00 1.84 2.439967534e+00 1.86 1.726035630e+00 1.88 1.076752873e+00 1.90 4.873507032e-01 1.92 -4.661411175e-02 1.94 -5.292808801e-01 1.96 -9.645050118e-01 1.98 -1.355876747e+00 2.00 -1.706738676e+00 2.02 -2.020202116e+00 2.04 -2.299162441e+00 2.06 -2.546313404e+00 2.08 -2.764160540e+00 2.10 -2.955033689e+00 2.12 -3.121098716e+00 2.14 -3.264368459e+00 2.16 -3.386712971e+00 2.18 -3.489869089e+00 2.20 -3.575449382e+00 2.22 -3.642211150e+00 2.24 -3.686819003e+00 2.26 -3.708165485e+00 2.28 -3.705845142e+00 2.30 -3.680162060e+00 2.32 -3.632107147e+00 2.34 -3.558872772e+00 2.36 -3.448044309e+00 2.38 -3.288590181e+00 2.40 -3.071983556e+00 2.42 -2.793255056e+00 2.44 -2.452169105e+00 2.46 -2.054679125e+00 2.48 -1.614910965e+00 2.50 -1.157853388e+00 2.52 -7.222054797e-01 2.54 -3.605324232e-01 2.56 -1.303855624e-01 2.58 -3.200707115e-02 2.60 0.000000000e+00 2.62 0.000000000e+00 2.64 0.000000000e+00 2.66 0.000000000e+00 2.68 0.000000000e+00 2.70 0.000000000e+00 2.72 0.000000000e+00 2.74 0.000000000e+00 2.76 0.000000000e+00 2.78 0.000000000e+00 2.80 0.000000000e+00 2.82 0.000000000e+00 2.84 0.000000000e+00 2.86 0.000000000e+00 2.88 0.000000000e+00 2.90 0.000000000e+00 2.92 0.000000000e+00 2.94 0.000000000e+00 2.96 0.000000000e+00 2.98 0.000000000e+00 3.00 0.000000000e+00 3.02 0.000000000e+00 3.04 0.000000000e+00 3.06 0.000000000e+00 3.08 0.000000000e+00 3.10 0.000000000e+00 3.12 0.000000000e+00 3.14 0.000000000e+00 3.16 0.000000000e+00 3.18 0.000000000e+00 3.20 0.000000000e+00 3.22 0.000000000e+00 3.24 0.000000000e+00 3.26 0.000000000e+00 3.28 0.000000000e+00 3.30 0.000000000e+00 3.32 0.000000000e+00 3.34 0.000000000e+00 3.36 0.000000000e+00 3.38 0.000000000e+00 3.40 0.000000000e+00 3.42 0.000000000e+00 3.44 0.000000000e+00 3.46 0.000000000e+00 3.48 0.000000000e+00 3.50 0.000000000e+00 3.52 0.000000000e+00 3.54 0.000000000e+00 3.56 0.000000000e+00 3.58 0.000000000e+00 3.60 0.000000000e+00 3.62 0.000000000e+00 3.64 0.000000000e+00 3.66 0.000000000e+00 3.68 0.000000000e+00 3.70 0.000000000e+00 3.72 0.000000000e+00 3.74 0.000000000e+00 3.76 0.000000000e+00 3.78 0.000000000e+00 3.80 0.000000000e+00 3.82 0.000000000e+00 3.84 0.000000000e+00 3.86 0.000000000e+00 3.88 0.000000000e+00 3.90 0.000000000e+00 3.92 0.000000000e+00 3.94 0.000000000e+00 3.96 0.000000000e+00 3.98 0.000000000e+00 4.00 0.000000000e+00 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