# 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 = Hg2Te # 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 1.549312813e+04 0.88 1.351617480e+04 0.90 1.182089960e+04 0.92 1.036167726e+04 0.94 9.100838374e+03 0.96 8.011022651e+03 0.98 7.068643182e+03 1.00 6.250707449e+03 1.02 5.538304417e+03 1.04 4.918144867e+03 1.06 4.379133670e+03 1.08 3.909507758e+03 1.10 3.497185982e+03 1.12 3.131714055e+03 1.14 2.806086908e+03 1.16 2.516326500e+03 1.18 2.259386165e+03 1.20 2.032252553e+03 1.22 1.831758984e+03 1.24 1.654436659e+03 1.26 1.496678186e+03 1.28 1.355312701e+03 1.30 1.228108695e+03 1.32 1.113640749e+03 1.34 1.010851684e+03 1.36 9.188771932e+02 1.38 8.369189452e+02 1.40 7.641081813e+02 1.42 6.994611580e+02 1.44 6.419003032e+02 1.46 5.903021072e+02 1.48 5.435642970e+02 1.50 5.006898299e+02 1.52 4.608868261e+02 1.54 4.236517546e+02 1.56 3.887459494e+02 1.58 3.560635689e+02 1.60 3.255321324e+02 1.62 2.970871301e+02 1.64 2.706707137e+02 1.66 2.462304357e+02 1.68 2.237145541e+02 1.70 2.030662883e+02 1.72 1.842203647e+02 1.74 1.671020072e+02 1.76 1.516268376e+02 1.78 1.377012110e+02 1.80 1.252230118e+02 1.82 1.140829333e+02 1.84 1.041661637e+02 1.86 9.535424233e+01 1.88 8.752664878e+01 1.90 8.056170033e+01 1.92 7.433697914e+01 1.94 6.873097500e+01 1.96 6.362851609e+01 1.98 5.893039297e+01 2.00 5.456316932e+01 2.02 5.048265186e+01 2.04 4.666694219e+01 2.06 4.310371642e+01 2.08 3.978198380e+01 2.10 3.669024788e+01 2.12 3.381644300e+01 2.14 3.114796439e+01 2.16 2.867174575e+01 2.18 2.637440193e+01 2.20 2.424244983e+01 2.22 2.226261377e+01 2.24 2.042220676e+01 2.26 1.870955398e+01 2.28 1.711438959e+01 2.30 1.562812330e+01 2.32 1.424386238e+01 2.34 1.295612230e+01 2.36 1.176028593e+01 2.38 1.065202459e+01 2.40 9.626925514e+00 2.42 8.680384027e+00 2.44 7.807619618e+00 2.46 7.003706571e+00 2.48 6.263611342e+00 2.50 5.582246268e+00 2.52 4.954543693e+00 2.54 4.375552746e+00 2.56 3.840558282e+00 2.58 3.345216348e+00 2.60 2.885692750e+00 2.62 2.458781504e+00 2.64 2.061971461e+00 2.66 1.693428419e+00 2.68 1.351875490e+00 2.70 1.036391294e+00 2.72 7.461920732e-01 2.74 4.804821931e-01 2.76 2.384096509e-01 2.78 1.908196827e-02 2.80 -1.784184095e-01 2.82 -3.550312615e-01 2.84 -5.117185736e-01 2.86 -6.494640043e-01 2.88 -7.692715410e-01 2.90 -8.721632711e-01 2.92 -9.591761914e-01 2.94 -1.031357992e+00 2.96 -1.089761757e+00 2.98 -1.135439566e+00 3.00 -1.169434972e+00 3.02 -1.192774450e+00 3.04 -1.206457892e+00 3.06 -1.211448393e+00 3.08 -1.208661634e+00 3.10 -1.198955340e+00 3.12 -1.183119443e+00 3.14 -1.161867785e+00 3.16 -1.135832334e+00 3.18 -1.105561062e+00 3.20 -1.071520582e+00 3.22 -1.034104492e+00 3.24 -9.936478021e-01 3.26 -9.504469228e-01 3.28 -9.047833134e-01 3.30 -8.569473921e-01 3.32 -8.072581268e-01 3.34 -7.560738409e-01 3.36 -7.037919568e-01 3.38 -6.508394951e-01 3.40 -5.976599198e-01 3.42 -5.447020598e-01 3.44 -4.924128666e-01 3.46 -4.412321259e-01 3.48 -3.915871968e-01 3.50 -3.438871790e-01 3.52 -2.985164631e-01 3.54 -2.558277031e-01 3.56 -2.161342912e-01 3.58 -1.797024600e-01 3.60 -1.467432017e-01 3.62 -1.174042783e-01 3.64 -9.176270331e-02 3.66 -6.981821973e-02 3.68 -5.148846668e-02 3.70 -3.660672576e-02 3.72 -2.492333352e-02 3.74 -1.611198845e-02 3.76 -9.782166343e-03 3.78 -5.498530179e-03 3.80 -2.807372258e-03 3.82 -1.268567462e-03 3.84 -4.892407035e-04 3.86 -1.528313378e-04 3.88 -3.576180074e-05 3.90 -5.546094472e-06 3.92 -4.653538299e-07 3.94 -1.469834450e-08 3.96 -8.519753979e-11 3.98 -1.737559102e-14 4.00 -9.967439133e-22 4.02 -2.172065961e-42 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