# 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 = C2N # 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 2024-11-27 r C1--CaF2--fluori 0.50 nan 0.52 nan 0.54 1.698990205e+03 0.56 1.488062262e+03 0.58 1.302062792e+03 0.60 1.148693512e+03 0.62 1.023680177e+03 0.64 9.115623327e+02 0.66 8.089609651e+02 0.68 7.174717012e+02 0.70 6.382674786e+02 0.72 5.690330473e+02 0.74 5.088668095e+02 0.76 4.521356276e+02 0.78 3.996235108e+02 0.80 3.551332791e+02 0.82 3.192952135e+02 0.84 2.880205441e+02 0.86 2.597751484e+02 0.88 2.348105823e+02 0.90 2.131177113e+02 0.92 1.935637320e+02 0.94 1.754360661e+02 0.96 1.584000171e+02 0.98 1.419768520e+02 1.00 1.254198214e+02 1.02 1.097464377e+02 1.04 9.586384056e+01 1.06 8.441009647e+01 1.08 7.576639526e+01 1.10 6.858549924e+01 1.12 6.204053036e+01 1.14 5.568241563e+01 1.16 4.893832185e+01 1.18 4.175711038e+01 1.20 3.428918704e+01 1.22 2.689870278e+01 1.24 2.055631084e+01 1.26 1.667098623e+01 1.28 1.409935901e+01 1.30 1.199782327e+01 1.32 1.010848926e+01 1.34 8.400253261e+00 1.36 6.858082234e+00 1.38 5.468115325e+00 1.40 4.217575246e+00 1.42 3.094686274e+00 1.44 2.088598344e+00 1.46 1.189316796e+00 1.48 3.876373624e-01 1.50 -3.249139993e-01 1.52 -9.561367791e-01 1.54 -1.513207431e+00 1.56 -2.002736140e+00 1.58 -2.431133697e+00 1.60 -2.794353496e+00 1.62 -3.131827098e+00 1.64 -3.503227445e+00 1.66 -3.904485073e+00 1.68 -4.342310427e+00 1.70 -4.830376012e+00 1.72 -5.374304386e+00 1.74 -5.929761328e+00 1.76 -6.323716165e+00 1.78 -6.285038984e+00 1.80 -6.109486027e+00 1.82 -5.982870850e+00 1.84 -5.875030177e+00 1.86 -5.742000499e+00 1.88 -5.466558170e+00 1.90 -5.029182711e+00 1.92 -4.434899372e+00 1.94 -3.700379258e+00 1.96 -2.860650500e+00 1.98 -1.975157062e+00 2.00 -1.131999274e+00 2.02 -4.473577872e-01 2.04 -5.262447013e-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