# 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 = CdTe2 # 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 3.490646114e+01 2.02 3.263664145e+01 2.04 3.049705091e+01 2.06 2.848023421e+01 2.08 2.657920138e+01 2.10 2.478734603e+01 2.12 2.309835640e+01 2.14 2.150613624e+01 2.16 2.000478071e+01 2.18 1.858865905e+01 2.20 1.725261417e+01 2.22 1.599229113e+01 2.24 1.480326177e+01 2.26 1.368268717e+01 2.28 1.262685527e+01 2.30 1.163233293e+01 2.32 1.069588535e+01 2.34 9.814463186e+00 2.36 8.985189919e+00 2.38 8.205350663e+00 2.40 7.472382120e+00 2.42 6.783864323e+00 2.44 6.137514074e+00 2.46 5.531180254e+00 2.48 4.962839837e+00 2.50 4.430592477e+00 2.52 3.932648032e+00 2.54 3.467303609e+00 2.56 3.032900668e+00 2.58 2.627766845e+00 2.60 2.250259875e+00 2.62 1.898725577e+00 2.64 1.571198411e+00 2.66 1.266206740e+00 2.68 9.822120829e-01 2.70 7.179225392e-01 2.72 4.724768848e-01 2.74 2.444736094e-01 2.76 3.397024598e-02 2.78 -1.600258879e-01 2.80 -3.383957107e-01 2.82 -5.019830726e-01 2.84 -6.515961919e-01 2.86 -7.880089962e-01 2.88 -9.119621175e-01 2.90 -1.024164361e+00 2.92 -1.125293528e+00 2.94 -1.215997800e+00 2.96 -1.296896597e+00 2.98 -1.368581567e+00 3.00 -1.431617698e+00 3.02 -1.486544058e+00 3.04 -1.533874697e+00 3.06 -1.574099578e+00 3.08 -1.607685311e+00 3.10 -1.635075869e+00 3.12 -1.656693384e+00 3.14 -1.672938766e+00 3.16 -1.684192353e+00 3.18 -1.690814503e+00 3.20 -1.693146140e+00 3.22 -1.691509247e+00 3.24 -1.686207338e+00 3.26 -1.677525884e+00 3.28 -1.665732637e+00 3.30 -1.651078065e+00 3.32 -1.633795606e+00 3.34 -1.614102045e+00 3.36 -1.592197870e+00 3.38 -1.568267728e+00 3.40 -1.542481031e+00 3.42 -1.514992791e+00 3.44 -1.485944874e+00 3.46 -1.455467740e+00 3.48 -1.423682945e+00 3.50 -1.390706656e+00 3.52 -1.356654334e+00 3.54 -1.321646876e+00 3.56 -1.285818220e+00 3.58 -1.249324137e+00 3.60 -1.212351417e+00 3.62 -1.175125552e+00 3.64 -1.137913812e+00 3.66 -1.101019039e+00 3.68 -1.064758882e+00 3.70 -1.029428008e+00 3.72 -9.952486348e-01 3.74 -9.623266424e-01 3.76 -9.306369694e-01 3.78 -9.000517598e-01 3.80 -8.703992920e-01 3.82 -8.415215869e-01 3.84 -8.131164816e-01 3.86 -7.857220931e-01 3.88 -7.586899007e-01 3.90 -7.321336914e-01 3.92 -7.060647933e-01 3.94 -6.804919873e-01 3.96 -6.554216387e-01 3.98 -6.308578012e-01 4.00 -6.068023174e-01 4.02 -5.832549372e-01 4.04 -5.602134064e-01 4.06 -5.376735935e-01 4.08 -5.156295752e-01 4.10 -4.940737685e-01 4.12 -4.729970214e-01 4.14 -4.523887695e-01 4.16 -4.322371474e-01 4.18 -4.125291425e-01 4.20 -3.932507842e-01 4.22 -3.743873127e-01 4.24 -3.559234195e-01 4.26 -3.378434955e-01 4.28 -3.201319329e-01 4.30 -3.027734688e-01 4.32 -2.857535857e-01 4.34 -2.690589719e-01 4.36 -2.526780455e-01 4.38 -2.366015505e-01 4.40 -2.208232179e-01 4.42 -2.053404898e-01 4.44 -1.901552985e-01 4.46 -1.752748685e-01 4.48 -1.607125147e-01 4.50 -1.464883850e-01 4.52 -1.326300708e-01 4.54 -1.191730027e-01 4.56 -1.061605056e-01 4.58 -9.364338452e-02 4.60 -8.167887988e-02 4.62 -7.032883976e-02 4.64 -5.965697090e-02 4.66 -4.972511227e-02 4.68 -4.058865655e-02 4.70 -3.229172309e-02 4.72 -2.486379389e-02 4.74 -1.832207082e-02 4.76 -1.268772028e-02 4.78 -8.021678037e-03 4.80 -4.447902482e-03 4.82 -2.065743658e-03 4.84 3.401715773e-05 4.86 1.686448553e-05 4.88 6.150203780e-06 4.90 1.012491550e-17 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