# 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 = STe2 # 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 2.408077024e+04 0.88 2.100167219e+04 0.90 1.835024810e+04 0.92 1.605144261e+04 0.94 1.406079755e+04 0.96 1.234356772e+04 0.98 1.086313145e+04 1.00 9.584313912e+03 1.02 8.477860387e+03 1.04 7.519614193e+03 1.06 6.687577075e+03 1.08 5.961801111e+03 1.10 5.325853379e+03 1.12 4.767508284e+03 1.14 4.277250332e+03 1.16 3.846427809e+03 1.18 3.466692933e+03 1.20 3.130078357e+03 1.22 2.829475493e+03 1.24 2.558977212e+03 1.26 2.314251197e+03 1.28 2.092631809e+03 1.30 1.892338224e+03 1.32 1.711736849e+03 1.34 1.549233191e+03 1.36 1.403329251e+03 1.38 1.272614233e+03 1.40 1.155728160e+03 1.42 1.051308312e+03 1.44 9.579251592e+02 1.46 8.741159089e+02 1.48 7.985129877e+02 1.50 7.299757171e+02 1.52 6.676386436e+02 1.54 6.108576876e+02 1.56 5.591335147e+02 1.58 5.120410644e+02 1.60 4.691621954e+02 1.62 4.300647785e+02 1.64 3.943242441e+02 1.66 3.615591013e+02 1.68 3.314647832e+02 1.70 3.038282273e+02 1.72 2.785086041e+02 1.74 2.553938140e+02 1.76 2.343662144e+02 1.78 2.152922522e+02 1.80 1.980225373e+02 1.82 1.823941541e+02 1.84 1.682347145e+02 1.86 1.553683135e+02 1.88 1.436231127e+02 1.90 1.328397280e+02 1.92 1.228793339e+02 1.94 1.136305500e+02 1.96 1.050134383e+02 1.98 9.697685804e+01 2.00 8.948752737e+01 2.02 8.251736135e+01 2.04 7.603724046e+01 2.06 7.001636320e+01 2.08 6.442302141e+01 2.10 5.922569480e+01 2.12 5.439437044e+01 2.14 4.990189702e+01 2.16 4.572503522e+01 2.18 4.184477727e+01 2.20 3.824563708e+01 2.22 3.491408635e+01 2.24 3.183692179e+01 2.26 2.900039414e+01 2.28 2.639014069e+01 2.30 2.399144066e+01 2.32 2.178957146e+01 2.34 1.977023601e+01 2.36 1.791999405e+01 2.38 1.622657030e+01 2.40 1.467888506e+01 2.42 1.326671886e+01 2.44 1.198012510e+01 2.46 1.080892802e+01 2.48 9.742595585e+00 2.50 8.770409544e+00 2.52 7.881698975e+00 2.54 7.066088203e+00 2.56 6.313783907e+00 2.58 5.615893263e+00 2.60 4.964741576e+00 2.62 4.354137202e+00 2.64 3.779514550e+00 2.66 3.237886063e+00 2.68 2.727569454e+00 2.70 2.247736550e+00 2.72 1.797928842e+00 2.74 1.377721807e+00 2.76 9.866167233e-01 2.78 6.240660394e-01 2.80 2.895023170e-01 2.82 -1.765792364e-02 2.84 -2.980171600e-01 2.86 -5.522001321e-01 2.88 -7.808569736e-01 2.90 -9.846661869e-01 2.92 -1.164337437e+00 2.94 -1.320614139e+00 2.96 -1.454275805e+00 2.98 -1.566140118e+00 3.00 -1.657064690e+00 3.02 -1.727948465e+00 3.04 -1.779732709e+00 3.06 -1.813401546e+00 3.08 -1.829981979e+00 3.10 -1.830543339e+00 3.12 -1.816196095e+00 3.14 -1.788089973e+00 3.16 -1.747411314e+00 3.18 -1.695379619e+00 3.20 -1.633243213e+00 3.22 -1.562273987e+00 3.24 -1.483761179e+00 3.26 -1.399004147e+00 3.28 -1.309304145e+00 3.30 -1.215955089e+00 3.32 -1.120233342e+00 3.34 -1.023386584e+00 3.36 -9.266218420e-01 3.38 -8.310928096e-01 3.40 -7.378866045e-01 3.42 -6.480101749e-01 3.44 -5.623765919e-01 3.46 -4.817915199e-01 3.48 -4.069402049e-01 3.50 -3.383753773e-01 3.52 -2.765065261e-01 3.54 -2.215910814e-01 3.56 -1.737281331e-01 3.58 -1.328554296e-01 3.60 -9.875053638e-02 3.62 -7.103717026e-02 3.64 -4.919783403e-02 3.66 -3.259386690e-02 3.68 -2.049378390e-02 3.70 -1.211012054e-02 3.72 -6.643740060e-03 3.74 -3.332595060e-03 3.76 -1.499433145e-03 3.78 -5.906001747e-04 3.80 -1.973352012e-04 3.82 -5.356721095e-05 3.84 -1.106519178e-05 3.86 -1.558980595e-06 3.88 -1.238929042e-07 3.90 -3.997864030e-09 3.92 -2.871077864e-11 3.94 -1.297256278e-14 3.96 -1.463534160e-20 3.98 -4.434744716e-34 4.00 -6.537810524e-95 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