# 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 = SZn2 # 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 9.646810434e+03 0.88 8.385020821e+03 0.90 7.309744901e+03 0.92 6.387764293e+03 0.94 5.596016045e+03 0.96 4.915817223e+03 0.98 4.329050821e+03 1.00 3.819381900e+03 1.02 3.373926669e+03 1.04 2.983652826e+03 1.06 2.642054323e+03 1.08 2.343533080e+03 1.10 2.082963936e+03 1.12 1.855274254e+03 1.14 1.655414249e+03 1.16 1.478968610e+03 1.18 1.322659161e+03 1.20 1.184242145e+03 1.22 1.062082711e+03 1.24 9.547598443e+02 1.26 8.607557627e+02 1.28 7.783970664e+02 1.30 7.059332748e+02 1.32 6.416431617e+02 1.34 5.839300863e+02 1.36 5.314130624e+02 1.38 4.830582893e+02 1.40 4.382708070e+02 1.42 3.967914075e+02 1.44 3.584857350e+02 1.46 3.232417505e+02 1.48 2.909571916e+02 1.50 2.615328029e+02 1.52 2.348607541e+02 1.54 2.108167550e+02 1.56 1.892579656e+02 1.58 1.700232441e+02 1.60 1.529346950e+02 1.62 1.378008507e+02 1.64 1.244218137e+02 1.66 1.125962551e+02 1.68 1.021291428e+02 1.70 9.283766100e+01 1.72 8.455256586e+01 1.74 7.711590254e+01 1.76 7.038166155e+01 1.78 6.422340416e+01 1.80 5.854380821e+01 1.82 5.327900907e+01 1.84 4.839339538e+01 1.86 4.386665796e+01 1.88 3.968202770e+01 1.90 3.582183491e+01 1.92 3.226717821e+01 1.94 2.899814173e+01 1.96 2.599413688e+01 1.98 2.323443317e+01 2.00 2.069888349e+01 2.02 1.836878796e+01 2.04 1.622774500e+01 2.06 1.426223032e+01 2.08 1.246160098e+01 2.10 1.081737038e+01 2.12 9.322000800e+00 2.14 7.967851028e+00 2.16 6.746743374e+00 2.18 5.649961082e+00 2.20 4.668316858e+00 2.22 3.792227246e+00 2.24 3.011822116e+00 2.26 2.317104334e+00 2.28 1.698171911e+00 2.30 1.145510583e+00 2.32 6.503514379e-01 2.34 2.050611446e-01 2.36 -1.965088955e-01 2.38 -5.588316075e-01 2.40 -8.847991081e-01 2.42 -1.176153663e+00 2.44 -1.434117106e+00 2.46 -1.659902154e+00 2.48 -1.854879213e+00 2.50 -2.020521461e+00 2.52 -2.158357081e+00 2.54 -2.269960842e+00 2.56 -2.356951214e+00 2.58 -2.420985845e+00 2.60 -2.463755000e+00 2.62 -2.486972783e+00 2.64 -2.492366021e+00 2.66 -2.481660720e+00 2.68 -2.456566084e+00 2.70 -2.418756225e+00 2.72 -2.369849875e+00 2.74 -2.311388630e+00 2.76 -2.244814619e+00 2.78 -2.171448905e+00 2.80 -2.092472387e+00 2.82 -2.008911562e+00 2.84 -1.921631930e+00 2.86 -1.831342017e+00 2.88 -1.738610646e+00 2.90 -1.643898649e+00 2.92 -1.547603495e+00 2.94 -1.450111085e+00 2.96 -1.351844326e+00 2.98 -1.253295367e+00 3.00 -1.155031381e+00 3.02 -1.057674492e+00 3.04 -9.618698774e-01 3.06 -8.682595814e-01 3.08 -7.774679310e-01 3.10 -6.900928585e-01 3.12 -6.066978911e-01 3.14 -5.278035590e-01 3.16 -4.538782046e-01 3.18 -3.853283124e-01 3.20 -3.224885413e-01 3.22 -2.656117135e-01 3.24 -2.148591132e-01 3.26 -1.702915696e-01 3.28 -1.318619519e-01 3.30 -9.940987880e-02 3.32 -7.265964550e-02 3.34 -5.122255564e-02 3.36 -3.460497501e-02 3.38 -2.222340680e-02 3.40 -1.342759109e-02 3.42 -7.531886988e-03 3.44 -3.853832755e-03 3.46 -1.756731130e-03 3.48 -6.905973359e-04 3.50 -2.236057718e-04 3.52 -5.575421145e-05 3.54 -9.663661184e-06 3.56 -9.882570736e-07 3.58 -4.506802027e-08 3.60 -5.445065941e-10 3.62 -5.854557019e-13 3.64 -3.631707106e-18 3.66 -1.120795502e-29 3.68 -1.812674091e-76 3.70 0.000000000e+00 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