# 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 = CdSe2 # 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 2.143875577e+04 0.88 1.867979761e+04 0.90 1.631944349e+04 0.92 1.428543009e+04 0.94 1.252119185e+04 0.96 1.099074857e+04 0.98 9.665979362e+03 1.00 8.521017588e+03 1.02 7.533301268e+03 1.04 6.683142282e+03 1.06 5.950970090e+03 1.08 5.316770169e+03 1.10 4.761286929e+03 1.12 4.269069775e+03 1.14 3.830600200e+03 1.16 3.439834222e+03 1.18 3.091832959e+03 1.20 2.782183591e+03 1.22 2.506365742e+03 1.24 2.259699060e+03 1.26 2.038041073e+03 1.28 1.838500726e+03 1.30 1.659349542e+03 1.32 1.499208303e+03 1.34 1.356624017e+03 1.36 1.230068185e+03 1.38 1.117966286e+03 1.40 1.018713147e+03 1.42 9.307126875e+02 1.44 8.524266593e+02 1.46 7.823740674e+02 1.48 7.191120990e+02 1.50 6.613159199e+02 1.52 6.079454167e+02 1.54 5.583150878e+02 1.56 5.120001686e+02 1.58 4.687382911e+02 1.60 4.283773284e+02 1.62 3.908143478e+02 1.64 3.559535475e+02 1.66 3.236969798e+02 1.68 2.939453056e+02 1.70 2.665987391e+02 1.72 2.415587874e+02 1.74 2.187306711e+02 1.76 1.980235220e+02 1.78 1.793459321e+02 1.80 1.625980408e+02 1.82 1.476646359e+02 1.84 1.344120689e+02 1.86 1.226877153e+02 1.88 1.123210342e+02 1.90 1.031270622e+02 1.92 9.491377364e+01 1.94 8.749448336e+01 1.96 8.070474367e+01 1.98 7.441926194e+01 2.00 6.855990123e+01 2.02 6.308742054e+01 2.04 5.798276425e+01 2.06 5.323337574e+01 2.08 4.882808738e+01 2.10 4.475522731e+01 2.12 4.100204790e+01 2.14 3.755463270e+01 2.16 3.439785347e+01 2.18 3.151536142e+01 2.20 2.888963338e+01 2.22 2.650208872e+01 2.24 2.433329071e+01 2.26 2.236323970e+01 2.28 2.057175055e+01 2.30 1.893888576e+01 2.32 1.744539076e+01 2.34 1.607306641e+01 2.36 1.480503576e+01 2.38 1.362593278e+01 2.40 1.252211996e+01 2.42 1.148202535e+01 2.44 1.049652348e+01 2.46 9.559133521e+00 2.48 8.665849486e+00 2.50 7.814572243e+00 2.52 7.004302862e+00 2.54 6.234417192e+00 2.56 5.504292602e+00 2.58 4.813259899e+00 2.60 4.160645656e+00 2.62 3.545784460e+00 2.64 2.968015011e+00 2.66 2.426674848e+00 2.68 1.921095183e+00 2.70 1.450595870e+00 2.72 1.014480517e+00 2.74 6.120317570e-01 2.76 2.425066948e-01 2.78 -9.486744065e-02 2.80 -4.008974137e-01 2.82 -6.764278285e-01 2.84 -9.223446619e-01 2.86 -1.139578434e+00 2.88 -1.329106958e+00 2.90 -1.491957606e+00 2.92 -1.629209016e+00 2.94 -1.741992173e+00 2.96 -1.831490767e+00 2.98 -1.898940749e+00 3.00 -1.945628988e+00 3.02 -1.972890936e+00 3.04 -1.982107202e+00 3.06 -1.974698956e+00 3.08 -1.952122065e+00 3.10 -1.915859907e+00 3.12 -1.867414796e+00 3.14 -1.808298011e+00 3.16 -1.740018442e+00 3.18 -1.664069897e+00 3.20 -1.581917227e+00 3.22 -1.494981443e+00 3.24 -1.404624130e+00 3.26 -1.312131576e+00 3.28 -1.218699128e+00 3.30 -1.125416478e+00 3.32 -1.033254695e+00 3.34 -9.430559980e-01 3.36 -8.555273415e-01 3.38 -7.712389943e-01 3.40 -6.906291610e-01 3.42 -6.140154619e-01 3.44 -5.416134952e-01 3.46 -4.735617576e-01 3.48 -4.099508167e-01 3.50 -3.508529396e-01 3.52 -2.963467525e-01 3.54 -2.465307022e-01 3.56 -2.015201924e-01 3.58 -1.614271560e-01 3.60 -1.263270344e-01 3.62 -9.622363208e-02 3.64 -7.102251658e-02 3.66 -5.051744515e-02 3.68 -3.438785737e-02 3.70 -2.220495965e-02 3.72 -1.344664728e-02 3.74 -7.522632455e-03 3.76 -3.810303555e-03 3.78 -1.699647210e-03 3.80 -6.421010518e-04 3.82 -1.940748258e-04 3.84 -4.304946183e-05 3.86 -6.107910734e-06 3.88 -4.390371620e-07 3.90 -1.040618597e-08 3.92 -3.348281003e-11 3.94 -1.655746723e-15 3.96 -9.797566048e-25 3.98 -1.417144150e-58 4.00 0.000000000e+00 4.02 0.000000000e+00 4.04 0.000000000e+00 4.06 0.000000000e+00 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