# 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 = SSeZn2 # 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 L2_1--AlCu2Mn--h L2_1--AlCu2Mn--h 0.50 nan nan 0.52 nan nan 0.54 nan nan 0.56 nan nan 0.58 nan nan 0.60 nan nan 0.62 nan nan 0.64 nan nan 0.66 nan nan 0.68 nan nan 0.70 nan nan 0.72 nan nan 0.74 nan nan 0.76 nan nan 0.78 nan nan 0.80 nan nan 0.82 nan nan 0.84 nan nan 0.86 nan nan 0.88 nan nan 0.90 nan nan 0.92 nan nan 0.94 1.188310233e+04 1.188310233e+04 0.96 1.044802190e+04 1.044802190e+04 0.98 9.218564214e+03 9.218564214e+03 1.00 8.160600108e+03 8.160600108e+03 1.02 7.242085748e+03 7.242085748e+03 1.04 6.436929441e+03 6.436929441e+03 1.06 5.727418500e+03 5.727418500e+03 1.08 5.101672398e+03 5.101672398e+03 1.10 4.550299614e+03 4.550299614e+03 1.12 4.064233448e+03 4.064233448e+03 1.14 3.634194756e+03 3.634194756e+03 1.16 3.251510917e+03 3.251510917e+03 1.18 2.909415177e+03 2.909415177e+03 1.20 2.603647981e+03 2.603647981e+03 1.22 2.331602222e+03 2.331602222e+03 1.24 2.091098993e+03 2.091098993e+03 1.26 1.879809420e+03 1.879809420e+03 1.28 1.695099519e+03 1.695099519e+03 1.30 1.534013781e+03 1.534013781e+03 1.32 1.393339221e+03 1.393339221e+03 1.34 1.269701266e+03 1.269701266e+03 1.36 1.159710612e+03 1.159710612e+03 1.38 1.060262830e+03 1.060262830e+03 1.40 9.689326367e+02 9.689326367e+02 1.42 8.841901198e+02 8.841901198e+02 1.44 8.052818948e+02 8.052818948e+02 1.46 7.319172939e+02 7.319172939e+02 1.48 6.639807291e+02 6.639807291e+02 1.50 6.013815520e+02 6.013815520e+02 1.52 5.440112121e+02 5.440112121e+02 1.54 4.917311623e+02 4.917311623e+02 1.56 4.443687988e+02 4.443687988e+02 1.58 4.017162592e+02 4.017162592e+02 1.60 3.635307447e+02 3.635307447e+02 1.62 3.295366776e+02 3.295366776e+02 1.64 2.994300321e+02 2.994300321e+02 1.66 2.728847469e+02 2.728847469e+02 1.68 2.495601345e+02 2.495601345e+02 1.70 2.291068094e+02 2.291068094e+02 1.72 2.111684886e+02 2.111684886e+02 1.74 1.953809364e+02 1.953809364e+02 1.76 1.813758047e+02 1.813758047e+02 1.78 1.687958361e+02 1.687958361e+02 1.80 1.573191895e+02 1.573191895e+02 1.82 1.466864480e+02 1.466864480e+02 1.84 1.367197631e+02 1.367197631e+02 1.86 1.273211961e+02 1.273211961e+02 1.88 1.184474743e+02 1.184474743e+02 1.90 1.100770509e+02 1.100770509e+02 1.92 1.021908710e+02 1.021908710e+02 1.94 9.476827930e+01 9.476827930e+01 1.96 8.778713513e+01 8.778713513e+01 1.98 8.122436840e+01 8.122436840e+01 2.00 7.505681433e+01 7.505681433e+01 2.02 6.926228122e+01 6.926228122e+01 2.04 6.382068489e+01 6.382068489e+01 2.06 5.871493711e+01 5.871493711e+01 2.08 5.393118742e+01 5.393118742e+01 2.10 4.945814721e+01 4.945814721e+01 2.12 4.528568247e+01 4.528568247e+01 2.14 4.140339733e+01 4.140339733e+01 2.16 3.779987217e+01 3.779987217e+01 2.18 3.446248858e+01 3.446248858e+01 2.20 3.137743562e+01 3.137743562e+01 2.22 2.852976291e+01 2.852976291e+01 2.24 2.590349555e+01 2.590349555e+01 2.26 2.348183244e+01 2.348183244e+01 2.28 2.124744903e+01 2.124744903e+01 2.30 1.918292023e+01 1.918292023e+01 2.32 1.727126479e+01 1.727126479e+01 2.34 1.549658081e+01 1.549658081e+01 2.36 1.384469357e+01 1.384469357e+01 2.38 1.230368109e+01 1.230368109e+01 2.40 1.086411437e+01 1.086411437e+01 2.42 9.518905611e+00 9.518905611e+00 2.44 8.262832974e+00 8.262832974e+00 2.46 7.092003341e+00 7.092003341e+00 2.48 6.003476365e+00 6.003476365e+00 2.50 4.994981630e+00 4.994981630e+00 2.52 4.064581328e+00 4.064581328e+00 2.54 3.210351146e+00 3.210351146e+00 2.56 2.430208454e+00 2.430208454e+00 2.58 1.721881665e+00 1.721881665e+00 2.60 1.082924607e+00 1.082924607e+00 2.62 5.107246840e-01 5.107246840e-01 2.64 2.508665604e-03 2.508665604e-03 2.66 -4.446481468e-01 -4.446481468e-01 2.68 -8.338084656e-01 -8.338084656e-01 2.70 -1.168155006e+00 -1.168155006e+00 2.72 -1.450967825e+00 -1.450967825e+00 2.74 -1.685597165e+00 -1.685597165e+00 2.76 -1.875432332e+00 -1.875432332e+00 2.78 -2.023867620e+00 -2.023867620e+00 2.80 -2.134266905e+00 -2.134266905e+00 2.82 -2.209929258e+00 -2.209929258e+00 2.84 -2.254058602e+00 -2.254058602e+00 2.86 -2.269740975e+00 -2.269740975e+00 2.88 -2.259932891e+00 -2.259932891e+00 2.90 -2.227463312e+00 -2.227463312e+00 2.92 -2.175049266e+00 -2.175049266e+00 2.94 -2.105321100e+00 -2.105321100e+00 2.96 -2.020848422e+00 -2.020848422e+00 2.98 -1.924154256e+00 -1.924154256e+00 3.00 -1.817706529e+00 -1.817706529e+00 3.02 -1.703885200e+00 -1.703885200e+00 3.04 -1.584936448e+00 -1.584936448e+00 3.06 -1.462931091e+00 -1.462931091e+00 3.08 -1.339736750e+00 -1.339736750e+00 3.10 -1.217003644e+00 -1.217003644e+00 3.12 -1.096163073e+00 -1.096163073e+00 3.14 -9.784394958e-01 -9.784394958e-01 3.16 -8.648761344e-01 -8.648761344e-01 3.18 -7.563709595e-01 -7.563709595e-01 3.20 -6.537156605e-01 -6.537156605e-01 3.22 -5.576261137e-01 -5.576261137e-01 3.24 -4.687518852e-01 -4.687518852e-01 3.26 -3.876582022e-01 -3.876582022e-01 3.28 -3.147871366e-01 -3.147871366e-01 3.30 -2.504169386e-01 -2.504169386e-01 3.32 -1.946358505e-01 -1.946358505e-01 3.34 -1.473317624e-01 -1.473317624e-01 3.36 -1.081920178e-01 -1.081920178e-01 3.38 -7.671156990e-02 -7.671156990e-02 3.40 -5.221069196e-02 -5.221069196e-02 3.42 -3.386367035e-02 -3.386367035e-02 3.44 -2.073922288e-02 -2.073922288e-02 3.46 -1.185198790e-02 -1.185198790e-02 3.48 -6.222213133e-03 -6.222213133e-03 3.50 -2.937906547e-03 -2.937906547e-03 3.52 -1.210924849e-03 -1.210924849e-03 3.54 -4.171359514e-04 -4.171359514e-04 3.56 -1.124239101e-04 -1.124239101e-04 3.58 -2.136782849e-05 -2.136782849e-05 3.60 -2.415552215e-06 -2.415552215e-06 3.62 -1.207612007e-07 -1.207612007e-07 3.64 -1.515777308e-09 -1.515777308e-09 3.66 -1.379308698e-12 -1.379308698e-12 3.68 -3.139518953e-18 -3.139518953e-18 3.70 -2.630490300e-32 -2.630490300e-32 3.72 -1.328287517e-129 -1.328287517e-129 3.74 0.000000000e+00 0.000000000e+00 3.76 0.000000000e+00 0.000000000e+00 3.78 0.000000000e+00 0.000000000e+00 3.80 0.000000000e+00 0.000000000e+00 3.82 0.000000000e+00 0.000000000e+00 3.84 0.000000000e+00 0.000000000e+00 3.86 0.000000000e+00 0.000000000e+00 3.88 0.000000000e+00 0.000000000e+00 3.90 0.000000000e+00 0.000000000e+00 3.92 0.000000000e+00 0.000000000e+00 3.94 0.000000000e+00 0.000000000e+00 3.96 0.000000000e+00 0.000000000e+00 3.98 0.000000000e+00 0.000000000e+00 4.00 0.000000000e+00 0.000000000e+00 4.02 0.000000000e+00 0.000000000e+00 4.04 0.000000000e+00 0.000000000e+00 4.06 0.000000000e+00 0.000000000e+00 4.08 0.000000000e+00 0.000000000e+00 4.10 0.000000000e+00 0.000000000e+00 4.12 0.000000000e+00 0.000000000e+00 4.14 0.000000000e+00 0.000000000e+00 4.16 0.000000000e+00 0.000000000e+00 4.18 0.000000000e+00 0.000000000e+00 4.20 0.000000000e+00 0.000000000e+00 4.22 0.000000000e+00 0.000000000e+00 4.24 0.000000000e+00 0.000000000e+00 4.26 0.000000000e+00 0.000000000e+00 4.28 0.000000000e+00 0.000000000e+00 4.30 0.000000000e+00 0.000000000e+00 4.32 0.000000000e+00 0.000000000e+00 4.34 0.000000000e+00 0.000000000e+00 4.36 0.000000000e+00 0.000000000e+00 4.38 0.000000000e+00 0.000000000e+00 4.40 0.000000000e+00 0.000000000e+00 4.42 0.000000000e+00 0.000000000e+00 4.44 0.000000000e+00 0.000000000e+00 4.46 0.000000000e+00 0.000000000e+00 4.48 0.000000000e+00 0.000000000e+00 4.50 0.000000000e+00 0.000000000e+00 4.52 0.000000000e+00 0.000000000e+00 4.54 0.000000000e+00 0.000000000e+00 4.56 0.000000000e+00 0.000000000e+00 4.58 0.000000000e+00 0.000000000e+00 4.60 0.000000000e+00 0.000000000e+00 4.62 0.000000000e+00 0.000000000e+00 4.64 0.000000000e+00 0.000000000e+00 4.66 0.000000000e+00 0.000000000e+00 4.68 0.000000000e+00 0.000000000e+00 4.70 0.000000000e+00 0.000000000e+00 4.72 0.000000000e+00 0.000000000e+00 4.74 0.000000000e+00 0.000000000e+00 4.76 0.000000000e+00 0.000000000e+00 4.78 0.000000000e+00 0.000000000e+00 4.80 0.000000000e+00 0.000000000e+00 4.82 0.000000000e+00 0.000000000e+00 4.84 0.000000000e+00 0.000000000e+00 4.86 0.000000000e+00 0.000000000e+00 4.88 0.000000000e+00 0.000000000e+00 4.90 0.000000000e+00 0.000000000e+00 4.92 0.000000000e+00 0.000000000e+00 4.94 0.000000000e+00 0.000000000e+00 4.96 0.000000000e+00 0.000000000e+00 4.98 0.000000000e+00 0.000000000e+00 5.00 0.000000000e+00 0.000000000e+00 5.02 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00