# 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 = HgS2 # 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 1.909345137e+04 0.88 1.658829446e+04 0.90 1.444671860e+04 0.92 1.260818071e+04 0.94 1.102917306e+04 0.96 9.678397993e+03 0.98 8.527027149e+03 1.00 7.543455552e+03 1.02 6.695925485e+03 1.04 5.958620698e+03 1.06 5.314170336e+03 1.08 4.749439856e+03 1.10 4.252672268e+03 1.12 3.812790565e+03 1.14 3.419885166e+03 1.16 3.066292478e+03 1.18 2.746753400e+03 1.20 2.458275168e+03 1.22 2.199317448e+03 1.24 1.968653635e+03 1.26 1.764787728e+03 1.28 1.585794769e+03 1.30 1.429312958e+03 1.32 1.292600187e+03 1.34 1.172678930e+03 1.36 1.066593620e+03 1.38 9.717598381e+02 1.40 8.862713590e+02 1.42 8.089044851e+02 1.44 7.387632032e+02 1.46 6.749754060e+02 1.48 6.166725869e+02 1.50 5.630942469e+02 1.52 5.136927258e+02 1.54 4.681558459e+02 1.56 4.263122309e+02 1.58 3.880142467e+02 1.60 3.530948099e+02 1.62 3.213664774e+02 1.64 2.926271908e+02 1.66 2.666678094e+02 1.68 2.432795853e+02 1.70 2.222583069e+02 1.72 2.034010078e+02 1.74 1.864954059e+02 1.76 1.713123779e+02 1.78 1.576113809e+02 1.80 1.451568525e+02 1.82 1.337399483e+02 1.84 1.231975138e+02 1.86 1.134162570e+02 1.88 1.043171909e+02 1.90 9.583547691e+01 1.92 8.791399977e+01 1.94 8.050656902e+01 1.96 7.358068876e+01 1.98 6.711642808e+01 2.00 6.110138335e+01 2.02 5.552504067e+01 2.04 5.037596103e+01 2.06 4.564121621e+01 2.08 4.130624858e+01 2.10 3.735474119e+01 2.12 3.376851353e+01 2.14 3.052745600e+01 2.16 2.760951834e+01 2.18 2.499077166e+01 2.20 2.264556860e+01 2.22 2.054682960e+01 2.24 1.866648362e+01 2.26 1.697608579e+01 2.28 1.544761808e+01 2.30 1.405444937e+01 2.32 1.277238968e+01 2.34 1.158072411e+01 2.36 1.046306422e+01 2.38 9.407809198e+00 2.40 8.407974664e+00 2.42 7.460219223e+00 2.44 6.563266426e+00 2.46 5.716450122e+00 2.48 4.919054317e+00 2.50 4.170289228e+00 2.52 3.469356460e+00 2.54 2.815454165e+00 2.56 2.207769207e+00 2.58 1.645469019e+00 2.60 1.127693602e+00 2.62 6.535476693e-01 2.64 2.220929685e-01 2.66 -1.676591691e-01 2.68 -5.167550126e-01 2.70 -8.263052763e-01 2.72 -1.097491553e+00 2.74 -1.331572237e+00 2.76 -1.529887841e+00 2.78 -1.693865571e+00 2.80 -1.825023032e+00 2.82 -1.924970899e+00 2.84 -1.995414390e+00 2.86 -2.038153362e+00 2.88 -2.055080809e+00 2.90 -2.048179588e+00 2.92 -2.019517140e+00 2.94 -1.971238004e+00 2.96 -1.905553928e+00 2.98 -1.824731398e+00 3.00 -1.731076430e+00 3.02 -1.626916539e+00 3.04 -1.514579838e+00 3.06 -1.396371327e+00 3.08 -1.274546514e+00 3.10 -1.151282666e+00 3.12 -1.028648132e+00 3.14 -9.085703432e-01 3.16 -7.928033491e-01 3.18 -6.828959294e-01 3.20 -5.801616176e-01 3.22 -4.856522311e-01 3.24 -4.001367884e-01 3.26 -3.240879672e-01 3.28 -2.576784522e-01 3.30 -2.007895563e-01 3.32 -1.530341911e-01 3.34 -1.137953423e-01 3.36 -8.227935301e-02 3.38 -5.758027636e-02 3.40 -3.874753541e-02 3.42 -2.484538486e-02 3.44 -1.499205182e-02 3.46 -8.372679980e-03 3.48 -4.234171121e-03 3.50 -1.883512902e-03 3.52 -7.080010324e-04 3.54 -2.121525652e-04 3.56 -4.637786352e-05 3.58 -6.418287954e-06 3.60 -4.414574746e-07 3.62 -9.628712425e-09 3.64 -2.602759939e-11 3.66 -8.327543462e-16 3.68 -1.075214327e-25 3.70 -3.086047852e-65 3.72 0.000000000e+00 3.74 0.000000000e+00 3.76 0.000000000e+00 3.78 0.000000000e+00 3.80 0.000000000e+00 3.82 0.000000000e+00 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