# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2014--Zhou-X-W-Foster-M-E-van-Swol-F-B-et-al--Cd-Te-Se # implementation = 2014--Zhou-X-W--Cd-Te-Se--LAMMPS--ipr1 # composition = Cd2Te # 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 1.713034044e+01 2.02 1.580622715e+01 2.04 1.456692029e+01 2.06 1.340700182e+01 2.08 1.232141620e+01 2.10 1.130544621e+01 2.12 1.035469464e+01 2.14 9.465170295e+00 2.16 8.632798230e+00 2.18 7.854321430e+00 2.20 7.126429712e+00 2.22 6.446068609e+00 2.24 5.810401155e+00 2.26 5.216788353e+00 2.28 4.662772808e+00 2.30 4.146058783e+00 2.32 3.664488765e+00 2.34 3.216016939e+00 2.36 2.798684039e+00 2.38 2.410602171e+00 2.40 2.049960210e+00 2.42 1.715026735e+00 2.44 1.404254850e+00 2.46 1.116123462e+00 2.48 8.493115239e-01 2.50 6.026241074e-01 2.52 3.749351479e-01 2.54 1.651801171e-01 2.56 -2.765294771e-02 2.58 -2.045374461e-01 2.60 -3.664312547e-01 2.62 -5.141275445e-01 2.64 -6.491279413e-01 2.66 -7.720509683e-01 2.68 -8.839264399e-01 2.70 -9.856213236e-01 2.72 -1.077715603e+00 2.74 -1.161011185e+00 2.76 -1.235514929e+00 2.78 -1.301791270e+00 2.80 -1.360345972e+00 2.82 -1.411659862e+00 2.84 -1.456190151e+00 2.86 -1.494371137e+00 2.88 -1.526615603e+00 2.90 -1.553315546e+00 2.92 -1.574843187e+00 2.94 -1.591551827e+00 2.96 -1.603776678e+00 2.98 -1.611835660e+00 3.00 -1.616030147e+00 3.02 -1.616645677e+00 3.04 -1.613952659e+00 3.06 -1.608206976e+00 3.08 -1.599650641e+00 3.10 -1.588512360e+00 3.12 -1.575008069e+00 3.14 -1.559341485e+00 3.16 -1.541704587e+00 3.18 -1.522278079e+00 3.20 -1.501231862e+00 3.22 -1.478725456e+00 3.24 -1.454908412e+00 3.26 -1.429920747e+00 3.28 -1.403893349e+00 3.30 -1.376948432e+00 3.32 -1.349200037e+00 3.34 -1.320754564e+00 3.36 -1.291711440e+00 3.38 -1.262163949e+00 3.40 -1.232200207e+00 3.42 -1.201904388e+00 3.44 -1.171358217e+00 3.46 -1.140642684e+00 3.48 -1.109839841e+00 3.50 -1.079034475e+00 3.52 -1.048315128e+00 3.54 -1.017773817e+00 3.56 -9.875035829e-01 3.58 -9.575932803e-01 3.60 -9.281196185e-01 3.62 -8.991380264e-01 3.64 -8.706754261e-01 3.66 -8.427290261e-01 3.68 -8.152735830e-01 3.70 -7.882753489e-01 3.72 -7.616392696e-01 3.74 -7.355355464e-01 3.76 -7.098094857e-01 3.78 -6.844818866e-01 3.80 -6.595683674e-01 3.82 -6.350730353e-01 3.84 -6.109973945e-01 3.86 -5.873404555e-01 3.88 -5.640988178e-01 3.90 -5.412668016e-01 3.92 -5.188365695e-01 3.94 -4.967982583e-01 3.96 -4.751401780e-01 3.98 -4.538489855e-01 4.00 -4.329099250e-01 4.02 -4.123071427e-01 4.04 -3.920240011e-01 4.06 -3.720435308e-01 4.08 -3.523489157e-01 4.10 -3.329241010e-01 4.12 -3.137545188e-01 4.14 -2.948279252e-01 4.16 -2.761353776e-01 4.18 -2.576723515e-01 4.20 -2.394399843e-01 4.22 -2.214464375e-01 4.24 -2.037083280e-01 4.26 -1.862521690e-01 4.28 -1.691157265e-01 4.30 -1.523491419e-01 4.32 -1.360156496e-01 4.34 -1.201916497e-01 4.36 -1.049658655e-01 4.38 -9.043727854e-02 4.40 -7.671154371e-02 4.42 -6.389563543e-02 4.44 -5.209061851e-02 4.46 -4.138278704e-02 4.48 -3.183422458e-02 4.50 -2.347603192e-02 4.52 -1.631318954e-02 4.54 -1.035997780e-02 4.56 -5.712974418e-03 4.58 -2.546560599e-03 4.60 4.843879041e-05 4.62 2.106867530e-05 4.64 4.834021380e-06 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