# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2012--Kinaci-A-Haskins-J-B-Sevik-C-Cagin-T--B-N-C # implementation = 2012--Kinaci-A--B-N-C--LAMMPS--ipr1 # composition = BC2 # 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 1.712839906e+03 0.56 1.501514322e+03 0.58 1.315337773e+03 0.60 1.161944382e+03 0.62 1.036402314e+03 0.64 9.235197012e+02 0.66 8.204149482e+02 0.68 7.288022432e+02 0.70 6.493882039e+02 0.72 5.796538639e+02 0.74 5.188837611e+02 0.76 4.617643166e+02 0.78 4.089834883e+02 0.80 3.641779481e+02 0.82 3.279622870e+02 0.84 2.963310040e+02 0.86 2.677238813e+02 0.88 2.423549904e+02 0.90 2.202240103e+02 0.92 2.002822083e+02 0.94 1.818036842e+02 0.96 1.644687814e+02 0.98 1.477618688e+02 1.00 1.308825264e+02 1.02 1.148836888e+02 1.04 1.007128217e+02 1.06 8.900875673e+01 1.08 8.008429451e+01 1.10 7.267680627e+01 1.12 6.594910867e+01 1.14 5.942381483e+01 1.16 5.261137725e+01 1.18 4.546169400e+01 1.20 3.809454618e+01 1.22 3.085365765e+01 1.24 2.461346058e+01 1.26 2.062068966e+01 1.28 1.787237780e+01 1.30 1.560781462e+01 1.32 1.356271169e+01 1.34 1.170542811e+01 1.36 1.002064081e+01 1.38 8.494211433e+00 1.40 7.113097159e+00 1.42 5.865268189e+00 1.44 4.739631345e+00 1.46 3.725959346e+00 1.48 2.814825338e+00 1.50 1.997542301e+00 1.52 1.266106953e+00 1.54 6.131478446e-01 1.56 3.186820679e-02 1.58 -4.843212823e-01 1.60 -9.315448453e-01 1.62 -1.343508813e+00 1.64 -1.771952361e+00 1.66 -2.213354609e+00 1.68 -2.674261502e+00 1.70 -3.168011766e+00 1.72 -3.701585179e+00 1.74 -4.238814889e+00 1.76 -4.631250104e+00 1.78 -4.644547267e+00 1.80 -4.539780523e+00 1.82 -4.480897178e+00 1.84 -4.437865749e+00 1.86 -4.373328396e+00 1.88 -4.206107811e+00 1.90 -3.914958263e+00 1.92 -3.495065550e+00 1.94 -2.952069586e+00 1.96 -2.308766896e+00 1.98 -1.611027233e+00 2.00 -9.318736292e-01 2.02 -3.710997105e-01 2.04 -4.390470063e-02 2.06 0.000000000e+00 2.08 0.000000000e+00 2.10 0.000000000e+00 2.12 0.000000000e+00 2.14 0.000000000e+00 2.16 0.000000000e+00 2.18 0.000000000e+00 2.20 0.000000000e+00 2.22 0.000000000e+00 2.24 0.000000000e+00 2.26 0.000000000e+00 2.28 0.000000000e+00 2.30 0.000000000e+00 2.32 0.000000000e+00 2.34 0.000000000e+00 2.36 0.000000000e+00 2.38 0.000000000e+00 2.40 0.000000000e+00 2.42 0.000000000e+00 2.44 0.000000000e+00 2.46 0.000000000e+00 2.48 0.000000000e+00 2.50 0.000000000e+00 2.52 0.000000000e+00 2.54 0.000000000e+00 2.56 0.000000000e+00 2.58 0.000000000e+00 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