# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1989--Tersoff-J--Si-C # implementation = 1989--Tersoff-J--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 2.949547494e+03 0.66 2.645738861e+03 0.68 2.366685489e+03 0.70 2.124013657e+03 0.72 1.915658216e+03 0.74 1.735375030e+03 0.76 1.570430028e+03 0.78 1.418946316e+03 0.80 1.281515760e+03 0.82 1.157801399e+03 0.84 1.051210854e+03 0.86 9.577297315e+02 0.88 8.765775159e+02 0.90 8.019969128e+02 0.92 7.340875344e+02 0.94 6.721989928e+02 0.96 6.157731127e+02 0.98 5.627448118e+02 1.00 5.136802896e+02 1.02 4.688431705e+02 1.04 4.289562395e+02 1.06 3.942412715e+02 1.08 3.612831269e+02 1.10 3.291548849e+02 1.12 2.990469306e+02 1.14 2.722201237e+02 1.16 2.497202209e+02 1.18 2.293720238e+02 1.20 2.088417532e+02 1.22 1.885541919e+02 1.24 1.689621982e+02 1.26 1.504978199e+02 1.28 1.338628517e+02 1.30 1.204764379e+02 1.32 1.107900297e+02 1.34 1.022633521e+02 1.36 9.426670524e+01 1.38 8.631933546e+01 1.40 7.847629908e+01 1.42 7.090973032e+01 1.44 6.381078871e+01 1.46 5.737930749e+01 1.48 5.179324844e+01 1.50 4.715014042e+01 1.52 4.313241009e+01 1.54 3.940928417e+01 1.56 3.596034445e+01 1.58 3.276656096e+01 1.60 2.981019762e+01 1.62 2.707472441e+01 1.64 2.454473552e+01 1.66 2.218373852e+01 1.68 1.971299114e+01 1.70 1.711844791e+01 1.72 1.448263374e+01 1.74 1.188034936e+01 1.76 9.382373380e+00 1.78 7.071259731e+00 1.80 5.062096798e+00 1.82 3.500558603e+00 1.84 2.495850963e+00 1.86 1.749529679e+00 1.88 1.069156536e+00 1.90 4.500665353e-01 1.92 -1.121044020e-01 1.94 -6.214379409e-01 1.96 -1.081750728e+00 1.98 -1.496610749e+00 2.00 -1.869352698e+00 2.02 -2.203092436e+00 2.04 -2.500740570e+00 2.06 -2.765015222e+00 2.08 -2.998454026e+00 2.10 -3.203425402e+00 2.12 -3.382139150e+00 2.14 -3.536656406e+00 2.16 -3.668898988e+00 2.18 -3.780658182e+00 2.20 -3.873602997e+00 2.22 -3.947046480e+00 2.24 -3.994053572e+00 2.26 -4.010315370e+00 2.28 -3.993042133e+00 2.30 -3.941048416e+00 2.32 -3.854855095e+00 2.34 -3.736583203e+00 2.36 -3.570853289e+00 2.38 -3.339061788e+00 2.40 -3.037325470e+00 2.42 -2.669181219e+00 2.44 -2.247446962e+00 2.46 -1.795589892e+00 2.48 -1.348029092e+00 2.50 -9.482606629e-01 2.52 -6.315651224e-01 2.54 -3.660274798e-01 2.56 -1.621553312e-01 2.58 -3.696932642e-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