# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2012--Ward-D-K-Zhou-X-W-Wong-B-M-et-al--Cd-Te-Zn # implementation = 2012--Ward-D-K--Cd-Te-Zn--LAMMPS--ipr1 # composition = Cd2Zn # 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 2.00 6.595925136e+00 2.02 5.913751967e+00 2.04 5.283462470e+00 2.06 4.701569769e+00 2.08 4.165084878e+00 2.10 3.671468948e+00 2.12 3.218398167e+00 2.14 2.803447803e+00 2.16 2.423515779e+00 2.18 2.074860767e+00 2.20 1.754836730e+00 2.22 1.460823094e+00 2.24 1.190890928e+00 2.26 9.433554748e-01 2.28 7.168577827e-01 2.30 5.104389490e-01 2.32 3.235208448e-01 2.34 1.556742292e-01 2.36 6.165351461e-03 2.38 -1.264038593e-01 2.40 -2.437679076e-01 2.42 -3.481818970e-01 2.44 -4.409723045e-01 2.46 -5.230009790e-01 2.48 -5.950894748e-01 2.50 -6.580299521e-01 2.52 -7.125939891e-01 2.54 -7.595349627e-01 2.56 -7.995791643e-01 2.58 -8.334039334e-01 2.60 -8.616081057e-01 2.62 -8.844999833e-01 2.64 -9.029931988e-01 2.66 -9.169884980e-01 2.68 -9.268179140e-01 2.70 -9.328004873e-01 2.72 -9.352904415e-01 2.74 -9.346184165e-01 2.76 -9.310927596e-01 2.78 -9.250007641e-01 2.80 -9.166098472e-01 2.82 -9.061686507e-01 2.84 -8.939081128e-01 2.86 -8.800424361e-01 2.88 -8.647700673e-01 2.90 -8.482745589e-01 2.92 -8.307254267e-01 2.94 -8.122789527e-01 2.96 -7.930789188e-01 2.98 -7.732573248e-01 3.00 -7.529350439e-01 3.02 -7.322224353e-01 3.04 -7.112199274e-01 3.06 -6.900185389e-01 3.08 -6.687003601e-01 3.10 -6.473390138e-01 3.12 -6.260000357e-01 3.14 -6.047412430e-01 3.16 -5.836130364e-01 3.18 -5.626586778e-01 3.20 -5.419145147e-01 3.22 -5.214101835e-01 3.24 -5.011687557e-01 3.26 -4.812069092e-01 3.28 -4.615350561e-01 3.30 -4.421575409e-01 3.32 -4.230728773e-01 3.34 -4.042741515e-01 3.36 -3.857496329e-01 3.38 -3.674837585e-01 3.40 -3.494586334e-01 3.42 -3.316563058e-01 3.44 -3.140620584e-01 3.46 -2.966690119e-01 3.48 -2.794842706e-01 3.50 -2.625365304e-01 3.52 -2.458845478e-01 3.54 -2.296247609e-01 3.56 -2.138947645e-01 3.58 -1.988677418e-01 3.60 -1.847327722e-01 3.62 -1.716594899e-01 3.64 -1.597542189e-01 3.66 -1.490247343e-01 3.68 -1.393727426e-01 3.70 -1.306199702e-01 3.72 -1.224800648e-01 3.74 -1.149507521e-01 3.76 -1.077309065e-01 3.78 -1.006744489e-01 3.80 -9.362838524e-02 3.82 -8.656733274e-02 3.84 -7.946951186e-02 3.86 -7.231967821e-02 3.88 -6.511295297e-02 3.90 -5.785954480e-02 3.92 -5.059012608e-02 3.94 -4.336125766e-02 3.96 -3.625968896e-02 3.98 -2.940366582e-02 4.00 -2.293872540e-02 4.02 -1.702540660e-02 4.04 -1.181842443e-02 4.06 -7.446400414e-03 4.08 -4.027325201e-03 4.10 -1.723446023e-03 4.12 1.968391141e-05 4.14 4.130046521e-06 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