# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2013--Zhou-X-W-Ward-D-K-Martin-J-E-et-al--Zn-Cd-Hg-S-Se-Te # implementation = SW_ZhouWardMartin_2013_CdTeZnSeHgS__MO_503261197030_002 # composition = CdHg2 # 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 0.50 nan 0.52 nan 0.54 nan 0.56 nan 0.58 nan 0.60 nan 0.62 nan 0.64 nan 0.66 nan 0.68 nan 0.70 nan 0.72 nan 0.74 nan 0.76 nan 0.78 nan 0.80 nan 0.82 nan 0.84 nan 0.86 7.426220106e+03 0.88 6.480356312e+03 0.90 5.667261371e+03 0.92 4.966359715e+03 0.94 4.361194671e+03 0.96 3.838716021e+03 0.98 3.387655354e+03 1.00 2.997448348e+03 1.02 2.658696332e+03 1.04 2.363540324e+03 1.06 2.105463501e+03 1.08 1.878758289e+03 1.10 1.678353394e+03 1.12 1.500167917e+03 1.14 1.341337647e+03 1.16 1.200002186e+03 1.18 1.074780769e+03 1.20 9.643672660e+02 1.22 8.673400322e+02 1.24 7.821279966e+02 1.26 7.071002208e+02 1.28 6.407174635e+02 1.30 5.816730203e+02 1.32 5.289282963e+02 1.34 4.816652864e+02 1.36 4.392525685e+02 1.38 4.011827808e+02 1.40 3.669796347e+02 1.42 3.361590619e+02 1.44 3.082471129e+02 1.46 2.828131681e+02 1.48 2.594960657e+02 1.50 2.380095503e+02 1.52 2.181319357e+02 1.54 1.996988498e+02 1.56 1.825943519e+02 1.58 1.667289818e+02 1.60 1.520229538e+02 1.62 1.384048645e+02 1.64 1.258146364e+02 1.66 1.142036111e+02 1.68 1.035305284e+02 1.70 9.375565509e+01 1.72 8.483692423e+01 1.74 7.672890149e+01 1.76 6.938287819e+01 1.78 6.274727711e+01 1.80 5.676832827e+01 1.82 5.139102920e+01 1.84 4.656035090e+01 1.86 4.222255747e+01 1.88 3.832639065e+01 1.90 3.482380924e+01 1.92 3.167013264e+01 1.94 2.882392345e+01 1.96 2.624740308e+01 1.98 2.390778260e+01 2.00 2.177871201e+01 2.02 1.984059850e+01 2.04 1.807915043e+01 2.06 1.648271422e+01 2.08 1.504005730e+01 2.10 1.373956031e+01 2.12 1.256917722e+01 2.14 1.151651545e+01 2.16 1.056895546e+01 2.18 9.713827498e+00 2.20 8.938656729e+00 2.22 8.231482644e+00 2.24 7.581244545e+00 2.26 6.978201363e+00 2.28 6.414320286e+00 2.30 5.883534243e+00 2.32 5.381755454e+00 2.34 4.906575425e+00 2.36 4.456703650e+00 2.38 4.031354062e+00 2.40 3.629836188e+00 2.42 3.251434084e+00 2.44 2.895429670e+00 2.46 2.561125781e+00 2.48 2.247847740e+00 2.50 1.954939917e+00 2.52 1.681762186e+00 2.54 1.427686562e+00 2.56 1.192094027e+00 2.58 9.743715479e-01 2.60 7.739092845e-01 2.62 5.900979982e-01 2.64 4.223266730e-01 2.66 2.699803622e-01 2.68 1.324382781e-01 2.70 9.072146816e-03 2.72 -1.007551472e-01 2.74 -1.976905986e-01 2.76 -2.823917690e-01 2.78 -3.555270893e-01 2.80 -4.177757401e-01 2.82 -4.698270686e-01 2.84 -5.123795015e-01 2.86 -5.461389105e-01 2.88 -5.718163898e-01 2.90 -5.901254059e-01 2.92 -6.017782881e-01 2.94 -6.074820336e-01 2.96 -6.079334167e-01 2.98 -6.038134122e-01 3.00 -5.957809667e-01 3.02 -5.844661945e-01 3.04 -5.704631212e-01 3.06 -5.543221668e-01 3.08 -5.365426453e-01 3.10 -5.175656603e-01 3.12 -4.977678993e-01 3.14 -4.774569585e-01 3.16 -4.568689524e-01 3.18 -4.361692386e-01 3.20 -4.154570710e-01 3.22 -3.947747954e-01 3.24 -3.741217497e-01 3.26 -3.534722303e-01 3.28 -3.327957726e-01 3.30 -3.120767427e-01 3.32 -2.913293564e-01 3.34 -2.706044988e-01 3.36 -2.499868303e-01 3.38 -2.295843907e-01 3.40 -2.095161904e-01 3.42 -1.899030764e-01 3.44 -1.708632079e-01 3.46 -1.525100473e-01 3.48 -1.349509000e-01 3.50 -1.182854086e-01 3.52 -1.026039468e-01 3.54 -8.798593242e-02 3.56 -7.449808604e-02 3.58 -6.219267264e-02 3.60 -5.110578008e-02 3.62 -4.125570338e-02 3.64 -3.264152695e-02 3.66 -2.524202236e-02 3.68 -1.901500830e-02 3.70 -1.389734965e-02 3.72 -9.805797505e-03 3.74 -6.638883516e-03 3.76 -4.280063523e-03 3.78 -2.602237159e-03 3.80 -1.473626243e-03 3.82 -7.647544377e-04 3.84 -3.559324454e-04 3.86 -1.442636909e-04 3.88 -4.887262611e-05 3.90 -1.304468006e-05 3.92 -2.511480426e-06 3.94 -3.038317870e-07 3.96 -1.837967738e-08 3.98 -3.698715486e-10 4.00 -1.107040378e-12 4.02 -7.801311054e-17 4.04 -6.135158106e-25 4.06 -9.251570579e-48 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