# 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 = CdSe2Te # 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 2.153919338e+04 2.153919338e+04 0.96 1.890809883e+04 1.890809883e+04 0.98 1.663555474e+04 1.663555474e+04 1.00 1.467347844e+04 1.467347844e+04 1.02 1.298083667e+04 1.298083667e+04 1.04 1.152340157e+04 1.152340157e+04 1.06 1.026877343e+04 1.026877343e+04 1.08 9.184395004e+03 9.184395004e+03 1.10 8.238289237e+03 8.238289237e+03 1.12 7.402974621e+03 7.402974621e+03 1.14 6.659665366e+03 6.659665366e+03 1.16 5.996024516e+03 5.996024516e+03 1.18 5.402752974e+03 5.402752974e+03 1.20 4.872409625e+03 4.872409625e+03 1.22 4.397805554e+03 4.397805554e+03 1.24 3.971421943e+03 3.971421943e+03 1.26 3.586334064e+03 3.586334064e+03 1.28 3.237533875e+03 3.237533875e+03 1.30 2.922179930e+03 2.922179930e+03 1.32 2.638413846e+03 2.638413846e+03 1.34 2.384434510e+03 2.384434510e+03 1.36 2.158338229e+03 2.158338229e+03 1.38 1.958072966e+03 1.958072966e+03 1.40 1.781381668e+03 1.781381668e+03 1.42 1.625807024e+03 1.625807024e+03 1.44 1.488732680e+03 1.488732680e+03 1.46 1.367403237e+03 1.367403237e+03 1.48 1.258970579e+03 1.258970579e+03 1.50 1.160699751e+03 1.160699751e+03 1.52 1.070314302e+03 1.070314302e+03 1.54 9.862280810e+02 9.862280810e+02 1.56 9.074944020e+02 9.074944020e+02 1.58 8.336268043e+02 8.336268043e+02 1.60 7.644229160e+02 7.644229160e+02 1.62 6.997875229e+02 6.997875229e+02 1.64 6.396346562e+02 6.396346562e+02 1.66 5.838687761e+02 5.838687761e+02 1.68 5.323842548e+02 5.323842548e+02 1.70 4.850651288e+02 4.850651288e+02 1.72 4.417855378e+02 4.417855378e+02 1.74 4.024110209e+02 4.024110209e+02 1.76 3.667979515e+02 3.667979515e+02 1.78 3.347886873e+02 3.347886873e+02 1.80 3.062034835e+02 3.062034835e+02 1.82 2.808334278e+02 2.808334278e+02 1.84 2.584371981e+02 2.584371981e+02 1.86 2.387405504e+02 2.387405504e+02 1.88 2.214376804e+02 2.214376804e+02 1.90 2.061955766e+02 2.061955766e+02 1.92 1.926637616e+02 1.926637616e+02 1.94 1.804925734e+02 1.804925734e+02 1.96 1.693614516e+02 1.693614516e+02 1.98 1.590119339e+02 1.590119339e+02 2.00 1.492706627e+02 1.492706627e+02 2.02 1.400462033e+02 1.400462033e+02 2.04 1.313005888e+02 1.313005888e+02 2.06 1.230183639e+02 1.230183639e+02 2.08 1.151896799e+02 1.151896799e+02 2.10 1.078046315e+02 1.078046315e+02 2.12 1.008520692e+02 1.008520692e+02 2.14 9.431940173e+01 9.431940173e+01 2.16 8.819249205e+01 8.819249205e+01 2.18 8.245559654e+01 8.245559654e+01 2.20 7.709136603e+01 7.709136603e+01 2.22 7.208092852e+01 7.208092852e+01 2.24 6.740406993e+01 6.740406993e+01 2.26 6.303952176e+01 6.303952176e+01 2.28 5.896534777e+01 5.896534777e+01 2.30 5.515939693e+01 5.515939693e+01 2.32 5.159976139e+01 5.159976139e+01 2.34 4.826516347e+01 4.826516347e+01 2.36 4.513522015e+01 4.513522015e+01 2.38 4.219061404e+01 4.219061404e+01 2.40 3.941329796e+01 3.941329796e+01 2.42 3.678685820e+01 3.678685820e+01 2.44 3.429698583e+01 3.429698583e+01 2.46 3.193182108e+01 3.193182108e+01 2.48 2.968195067e+01 2.968195067e+01 2.50 2.753999031e+01 2.753999031e+01 2.52 2.549988360e+01 2.549988360e+01 2.54 2.355623345e+01 2.355623345e+01 2.56 2.170397197e+01 2.170397197e+01 2.58 1.993839482e+01 1.993839482e+01 2.60 1.825533877e+01 1.825533877e+01 2.62 1.665133673e+01 1.665133673e+01 2.64 1.512370604e+01 1.512370604e+01 2.66 1.367054221e+01 1.367054221e+01 2.68 1.229059808e+01 1.229059808e+01 2.70 1.098306551e+01 1.098306551e+01 2.72 9.747325408e+00 9.747325408e+00 2.74 8.582755863e+00 8.582755863e+00 2.76 7.488646103e+00 7.488646103e+00 2.78 6.464183136e+00 6.464183136e+00 2.80 5.508451549e+00 5.508451549e+00 2.82 4.620426919e+00 4.620426919e+00 2.84 3.798967279e+00 3.798967279e+00 2.86 3.042804916e+00 3.042804916e+00 2.88 2.350538804e+00 2.350538804e+00 2.90 1.720627819e+00 1.720627819e+00 2.92 1.151384905e+00 1.151384905e+00 2.94 6.409723931e-01 6.409723931e-01 2.96 1.873986720e-01 1.873986720e-01 2.98 -2.114835450e-01 -2.114835450e-01 3.00 -5.579771098e-01 -5.579771098e-01 3.02 -8.545382208e-01 -8.545382208e-01 3.04 -1.103771816e+00 -1.103771816e+00 3.06 -1.308424298e+00 -1.308424298e+00 3.08 -1.471373314e+00 -1.471373314e+00 3.10 -1.595614328e+00 -1.595614328e+00 3.12 -1.684243753e+00 -1.684243753e+00 3.14 -1.740438472e+00 -1.740438472e+00 3.16 -1.767431623e+00 -1.767431623e+00 3.18 -1.768484668e+00 -1.768484668e+00 3.20 -1.746855860e+00 -1.746855860e+00 3.22 -1.705765426e+00 -1.705765426e+00 3.24 -1.648357999e+00 -1.648357999e+00 3.26 -1.577663115e+00 -1.577663115e+00 3.28 -1.496554881e+00 -1.496554881e+00 3.30 -1.407712359e+00 -1.407712359e+00 3.32 -1.313582540e+00 -1.313582540e+00 3.34 -1.216348281e+00 -1.216348281e+00 3.36 -1.117903904e+00 -1.117903904e+00 3.38 -1.019841434e+00 -1.019841434e+00 3.40 -9.234504602e-01 -9.234504602e-01 3.42 -8.297341039e-01 -8.297341039e-01 3.44 -7.394424066e-01 -7.394424066e-01 3.46 -6.531222444e-01 -6.531222444e-01 3.48 -5.711794936e-01 -5.711794936e-01 3.50 -4.939448744e-01 -4.939448744e-01 3.52 -4.217307265e-01 -4.217307265e-01 3.54 -3.548642767e-01 -3.548642767e-01 3.56 -2.936869286e-01 -2.936869286e-01 3.58 -2.385204846e-01 -2.385204846e-01 3.60 -1.896158176e-01 -1.896158176e-01 3.62 -1.471060374e-01 -1.471060374e-01 3.64 -1.109773859e-01 -1.109773859e-01 3.66 -8.105719851e-02 -8.105719851e-02 3.68 -5.701355018e-02 -5.701355018e-02 3.70 -3.836401960e-02 -3.836401960e-02 3.72 -2.449411980e-02 -2.449411980e-02 3.74 -1.468688197e-02 -1.468688197e-02 3.76 -8.164342311e-03 -8.164342311e-03 3.78 -4.139696757e-03 -4.139696757e-03 3.80 -1.875582210e-03 -1.875582210e-03 3.82 -7.396972028e-04 -7.396972028e-04 3.84 -2.454131610e-04 -2.454131610e-04 3.86 -6.530615451e-05 -6.530615451e-05 3.88 -1.292633520e-05 -1.292633520e-05 3.90 -1.666208173e-06 -1.666208173e-06 3.92 -1.101171695e-07 -1.101171695e-07 3.94 -2.429767999e-09 -2.429767999e-09 3.96 -7.693449918e-12 -7.693449918e-12 3.98 -4.789159344e-16 -4.789159344e-16 4.00 -1.307674533e-24 -1.307674533e-24 4.02 -1.404561185e-51 -1.404561185e-51 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 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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