# 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 = CdS2 # 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 2.223409508e+04 0.88 1.935392174e+04 0.90 1.687326466e+04 0.92 1.472769718e+04 0.94 1.287517165e+04 0.96 1.127930574e+04 0.98 9.909190236e+03 1.00 8.738860277e+03 1.02 7.741189993e+03 1.04 6.886286890e+03 1.06 6.144134871e+03 1.08 5.490185110e+03 1.10 4.910034708e+03 1.12 4.394845923e+03 1.14 3.937234082e+03 1.16 3.530824955e+03 1.18 3.169135730e+03 1.20 2.845386620e+03 1.22 2.553944027e+03 1.24 2.291620171e+03 1.26 2.056937997e+03 1.28 1.848511363e+03 1.30 1.664565134e+03 1.32 1.502956965e+03 1.34 1.361282482e+03 1.36 1.237040216e+03 1.38 1.127805725e+03 1.40 1.031315229e+03 1.42 9.454026788e+02 1.44 8.679635120e+02 1.46 7.971833956e+02 1.48 7.317807844e+02 1.50 6.709217362e+02 1.52 6.140680015e+02 1.54 5.609397297e+02 1.56 5.114134820e+02 1.58 4.653964921e+02 1.60 4.227801998e+02 1.62 3.834403364e+02 1.64 3.472449784e+02 1.66 3.140648189e+02 1.68 2.837825783e+02 1.70 2.562966189e+02 1.72 2.315139801e+02 1.74 2.093333623e+02 1.76 1.896278601e+02 1.78 1.722359241e+02 1.80 1.569577963e+02 1.82 1.435548800e+02 1.84 1.317542360e+02 1.86 1.212621769e+02 1.88 1.117904207e+02 1.90 1.030927886e+02 1.92 9.499803062e+01 1.94 8.741475725e+01 1.96 8.030308394e+01 1.98 7.364449948e+01 2.00 6.742883111e+01 2.02 6.164798567e+01 2.04 5.629296555e+01 2.06 5.135323401e+01 2.08 4.681653542e+01 2.10 4.266871978e+01 2.12 3.889358256e+01 2.14 3.547273234e+01 2.16 3.238550223e+01 2.18 2.960892718e+01 2.20 2.711781741e+01 2.22 2.488496587e+01 2.24 2.288153454e+01 2.26 2.107766418e+01 2.28 1.944333988e+01 2.30 1.794951138e+01 2.32 1.656940461e+01 2.34 1.527987274e+01 2.36 1.406253737e+01 2.38 1.290440906e+01 2.40 1.179770563e+01 2.42 1.073876603e+01 2.44 9.726335770e+00 2.46 8.759965346e+00 2.48 7.839229364e+00 2.50 6.963650258e+00 2.52 6.132754372e+00 2.54 5.346077392e+00 2.56 4.603157280e+00 2.58 3.903526809e+00 2.60 3.246706098e+00 2.62 2.632195146e+00 2.64 2.059466378e+00 2.66 1.527957207e+00 2.68 1.037062657e+00 2.70 5.861280588e-01 2.72 1.744418840e-01 2.74 -1.987712373e-01 2.76 -5.343572343e-01 2.78 -8.332389644e-01 2.80 -1.096422129e+00 2.82 -1.325000616e+00 2.84 -1.520161121e+00 2.86 -1.683186900e+00 2.88 -1.815460459e+00 2.90 -1.918464998e+00 2.92 -1.993784375e+00 2.94 -2.043101370e+00 2.96 -2.068194000e+00 2.98 -2.070929635e+00 3.00 -2.053256665e+00 3.02 -2.017193488e+00 3.04 -1.964814614e+00 3.06 -1.898233722e+00 3.08 -1.819583606e+00 3.10 -1.730993012e+00 3.12 -1.634560553e+00 3.14 -1.532326054e+00 3.16 -1.426239936e+00 3.18 -1.318131551e+00 3.20 -1.209677762e+00 3.22 -1.102373474e+00 3.24 -9.975063305e-01 3.26 -8.961382118e-01 3.28 -7.990965626e-01 3.30 -7.069786378e-01 3.32 -6.201713058e-01 3.34 -5.388876964e-01 3.36 -4.632193383e-01 3.38 -3.931982974e-01 3.40 -3.288585689e-01 3.42 -2.702812639e-01 3.44 -2.176073285e-01 3.46 -1.710089135e-01 3.48 -1.306271500e-01 3.50 -9.650163986e-02 3.52 -6.851878905e-02 3.54 -4.638781944e-02 3.56 -2.963742408e-02 3.58 -1.762843751e-02 3.60 -9.584678468e-03 3.62 -4.645012591e-03 3.64 -1.936190037e-03 3.66 -6.588587387e-04 3.68 -1.690413769e-04 3.70 -2.879094544e-05 3.72 -2.619097222e-06 3.74 -8.492891157e-08 3.76 -4.207130663e-10 3.78 -3.801456851e-14 3.80 -4.357159148e-23 3.82 -1.877298155e-59 3.84 0.000000000e+00 3.86 0.000000000e+00 3.88 0.000000000e+00 3.90 0.000000000e+00 3.92 0.000000000e+00 3.94 0.000000000e+00 3.96 0.000000000e+00 3.98 0.000000000e+00 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