# 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 = TeZn2 # 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 8.797813791e+00 2.02 7.982948068e+00 2.04 7.219511755e+00 2.06 6.504594102e+00 2.08 5.835470608e+00 2.10 5.209589076e+00 2.12 4.624555265e+00 2.14 4.078116699e+00 2.16 3.568144339e+00 2.18 3.092612629e+00 2.20 2.649579550e+00 2.22 2.237171448e+00 2.24 1.853579987e+00 2.26 1.497079289e+00 2.28 1.166057589e+00 2.30 8.591126973e-01 2.32 5.749523692e-01 2.34 3.125162657e-01 2.36 7.074066887e-02 2.38 -1.515325380e-01 2.40 -3.556536561e-01 2.42 -5.427753254e-01 2.44 -7.139311697e-01 2.46 -8.699879217e-01 2.48 -1.011758190e+00 2.50 -1.140001151e+00 2.52 -1.255425007e+00 2.54 -1.358693394e+00 2.56 -1.450438144e+00 2.58 -1.531281418e+00 2.60 -1.601868015e+00 2.62 -1.662900386e+00 2.64 -1.715159657e+00 2.66 -1.759483550e+00 2.68 -1.796685606e+00 2.70 -1.827441310e+00 2.72 -1.852151426e+00 2.74 -1.871446964e+00 2.76 -1.885172553e+00 2.78 -1.893739862e+00 2.80 -1.897510544e+00 2.82 -1.896829314e+00 2.84 -1.892024313e+00 2.86 -1.883407414e+00 2.88 -1.871274518e+00 2.90 -1.855905801e+00 2.92 -1.837565949e+00 2.94 -1.816504422e+00 2.96 -1.792955675e+00 2.98 -1.767139533e+00 3.00 -1.739261667e+00 3.02 -1.709514358e+00 3.04 -1.678077715e+00 3.06 -1.645121525e+00 3.08 -1.610808109e+00 3.10 -1.575296345e+00 3.12 -1.538747143e+00 3.14 -1.501330184e+00 3.16 -1.463231015e+00 3.18 -1.424656375e+00 3.20 -1.385834060e+00 3.22 -1.347002267e+00 3.24 -1.308384704e+00 3.26 -1.270153552e+00 3.28 -1.232393486e+00 3.30 -1.195089810e+00 3.32 -1.158159199e+00 3.34 -1.121514259e+00 3.36 -1.085081567e+00 3.38 -1.049007955e+00 3.40 -1.013228857e+00 3.42 -9.778885170e-01 3.44 -9.430196793e-01 3.46 -9.086503470e-01 3.48 -8.748039958e-01 3.50 -8.414997586e-01 3.52 -8.087526335e-01 3.54 -7.765736912e-01 3.56 -7.449702713e-01 3.58 -7.139462076e-01 3.60 -6.835020495e-01 3.62 -6.536353198e-01 3.64 -6.243407520e-01 3.66 -5.956106135e-01 3.68 -5.674350075e-01 3.70 -5.398022364e-01 3.72 -5.126992150e-01 3.74 -4.861119274e-01 3.76 -4.600259780e-01 3.78 -4.344271683e-01 3.80 -4.093022081e-01 3.82 -3.846394844e-01 3.84 -3.604299435e-01 3.86 -3.366680689e-01 3.88 -3.133529446e-01 3.90 -2.904894064e-01 3.92 -2.680892381e-01 3.94 -2.461723792e-01 3.96 -2.247680750e-01 3.98 -2.039158794e-01 4.00 -1.836663928e-01 4.02 -1.640815832e-01 4.04 -1.452345088e-01 4.06 -1.272082363e-01 4.08 -1.100937335e-01 4.10 -9.398652717e-02 4.12 -7.898195999e-02 4.14 -6.516897710e-02 4.16 -5.262257369e-02 4.18 -4.139545810e-02 4.20 -3.151054942e-02 4.22 -2.295872638e-02 4.24 -1.571290586e-02 4.26 -9.776763315e-03 4.28 -5.253556323e-03 4.30 -2.282332340e-03 4.32 3.830928019e-05 4.34 1.710247301e-05 4.36 3.919895531e-06 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