# 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 = CdSTe2 # 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 2.286957868e+04 2.286957868e+04 0.96 2.012038467e+04 2.012038467e+04 0.98 1.774442535e+04 1.774442535e+04 1.00 1.568858997e+04 1.568858997e+04 1.02 1.390822169e+04 1.390822169e+04 1.04 1.236112640e+04 1.236112640e+04 1.06 1.100827894e+04 1.100827894e+04 1.08 9.819527348e+03 9.819527348e+03 1.10 8.773501917e+03 8.773501917e+03 1.12 7.853055554e+03 7.853055554e+03 1.14 7.042441022e+03 7.042441022e+03 1.16 6.326269349e+03 6.326269349e+03 1.18 5.690572855e+03 5.690572855e+03 1.20 5.124231066e+03 5.124231066e+03 1.22 4.618876449e+03 4.618876449e+03 1.24 4.167552039e+03 4.167552039e+03 1.26 3.764385778e+03 3.764385778e+03 1.28 3.404618477e+03 3.404618477e+03 1.30 3.083906504e+03 3.083906504e+03 1.32 2.797822810e+03 2.797822810e+03 1.34 2.542133849e+03 2.542133849e+03 1.36 2.313189928e+03 2.313189928e+03 1.38 2.107883140e+03 2.107883140e+03 1.40 1.923367313e+03 1.923367313e+03 1.42 1.757102681e+03 1.757102681e+03 1.44 1.607024216e+03 1.607024216e+03 1.46 1.471399326e+03 1.471399326e+03 1.48 1.348611661e+03 1.348611661e+03 1.50 1.237184850e+03 1.237184850e+03 1.52 1.135830031e+03 1.135830031e+03 1.54 1.043410307e+03 1.043410307e+03 1.56 9.589047788e+02 9.589047788e+02 1.58 8.814054834e+02 8.814054834e+02 1.60 8.101277910e+02 8.101277910e+02 1.62 7.444342999e+02 7.444342999e+02 1.64 6.838253282e+02 6.838253282e+02 1.66 6.278944443e+02 6.278944443e+02 1.68 5.763123596e+02 5.763123596e+02 1.70 5.288289626e+02 5.288289626e+02 1.72 4.852494926e+02 4.852494926e+02 1.74 4.453884699e+02 4.453884699e+02 1.76 4.090355760e+02 4.090355760e+02 1.78 3.759502876e+02 3.759502876e+02 1.80 3.458733890e+02 3.458733890e+02 1.82 3.185453314e+02 3.185453314e+02 1.84 2.937234139e+02 2.937234139e+02 1.86 2.711864137e+02 2.711864137e+02 1.88 2.507256480e+02 2.507256480e+02 1.90 2.321392212e+02 2.321392212e+02 1.92 2.152364911e+02 2.152364911e+02 1.94 1.998448507e+02 1.998448507e+02 1.96 1.858141454e+02 1.858141454e+02 1.98 1.730148073e+02 1.730148073e+02 2.00 1.613280238e+02 1.613280238e+02 2.02 1.506348695e+02 1.506348695e+02 2.04 1.408136471e+02 1.408136471e+02 2.06 1.317453359e+02 1.317453359e+02 2.08 1.233221443e+02 1.233221443e+02 2.10 1.154556784e+02 1.154556784e+02 2.12 1.080811160e+02 1.080811160e+02 2.14 1.011545574e+02 1.011545574e+02 2.16 9.464520387e+01 9.464520387e+01 2.18 8.852841099e+01 8.852841099e+01 2.20 8.278263378e+01 8.278263378e+01 2.22 7.738785610e+01 7.738785610e+01 2.24 7.232418082e+01 7.232418082e+01 2.26 6.757118841e+01 6.757118841e+01 2.28 6.310819051e+01 6.310819051e+01 2.30 5.891488498e+01 5.891488498e+01 2.32 5.497208027e+01 5.497208027e+01 2.34 5.126234166e+01 5.126234166e+01 2.36 4.777041309e+01 4.777041309e+01 2.38 4.448329219e+01 4.448329219e+01 2.40 4.138991980e+01 4.138991980e+01 2.42 3.848054350e+01 3.848054350e+01 2.44 3.574590814e+01 3.574590814e+01 2.46 3.317655209e+01 3.317655209e+01 2.48 3.076249755e+01 3.076249755e+01 2.50 2.849331181e+01 2.849331181e+01 2.52 2.635830677e+01 2.635830677e+01 2.54 2.434679055e+01 2.434679055e+01 2.56 2.244837956e+01 2.244837956e+01 2.58 2.065336342e+01 2.065336342e+01 2.60 1.895309132e+01 1.895309132e+01 2.62 1.734032465e+01 1.734032465e+01 2.64 1.580947730e+01 1.580947730e+01 2.66 1.435665814e+01 1.435665814e+01 2.68 1.297945905e+01 1.297945905e+01 2.70 1.167651223e+01 1.167651223e+01 2.72 1.044695247e+01 1.044695247e+01 2.74 9.289983913e+00 9.289983913e+00 2.76 8.204671747e+00 8.204671747e+00 2.78 7.189902054e+00 7.189902054e+00 2.80 6.244382001e+00 6.244382001e+00 2.82 5.366631525e+00 5.366631525e+00 2.84 4.554972527e+00 4.554972527e+00 2.86 3.807520309e+00 3.807520309e+00 2.88 3.122178423e+00 3.122178423e+00 2.90 2.496637979e+00 2.496637979e+00 2.92 1.928382668e+00 1.928382668e+00 2.94 1.414700951e+00 1.414700951e+00 2.96 9.527070435e-01 9.527070435e-01 2.98 5.393724049e-01 5.393724049e-01 3.00 1.715693444e-01 1.715693444e-01 3.02 -1.538721382e-01 -1.538721382e-01 3.04 -4.400942683e-01 -4.400942683e-01 3.06 -6.901302774e-01 -6.901302774e-01 3.08 -9.068176321e-01 -9.068176321e-01 3.10 -1.092716279e+00 -1.092716279e+00 3.12 -1.250048372e+00 -1.250048372e+00 3.14 -1.380680498e+00 -1.380680498e+00 3.16 -1.486167829e+00 -1.486167829e+00 3.18 -1.567865006e+00 -1.567865006e+00 3.20 -1.627077448e+00 -1.627077448e+00 3.22 -1.665192032e+00 -1.665192032e+00 3.24 -1.683726030e+00 -1.683726030e+00 3.26 -1.684295660e+00 -1.684295660e+00 3.28 -1.668569214e+00 -1.668569214e+00 3.30 -1.638243591e+00 -1.638243591e+00 3.32 -1.595032294e+00 -1.595032294e+00 3.34 -1.540653691e+00 -1.540653691e+00 3.36 -1.476818063e+00 -1.476818063e+00 3.38 -1.405213498e+00 -1.405213498e+00 3.40 -1.327490757e+00 -1.327490757e+00 3.42 -1.245247310e+00 -1.245247310e+00 3.44 -1.160010780e+00 -1.160010780e+00 3.46 -1.073222096e+00 -1.073222096e+00 3.48 -9.862187457e-01 -9.862187457e-01 3.50 -9.002185642e-01 -9.002185642e-01 3.52 -8.163045899e-01 -8.163045899e-01 3.54 -7.354116076e-01 -7.354116076e-01 3.56 -6.583150786e-01 -6.583150786e-01 3.58 -5.856232577e-01 -5.856232577e-01 3.60 -5.177733920e-01 -5.177733920e-01 3.62 -4.550329619e-01 -4.550329619e-01 3.64 -3.975069474e-01 -3.975069474e-01 3.66 -3.451520037e-01 -3.451520037e-01 3.68 -2.977981284e-01 -2.977981284e-01 3.70 -2.551777674e-01 -2.551777674e-01 3.72 -2.169612248e-01 -2.169612248e-01 3.74 -1.827956510e-01 -1.827956510e-01 3.76 -1.523429621e-01 -1.523429621e-01 3.78 -1.253103428e-01 -1.253103428e-01 3.80 -1.014665973e-01 -1.014665973e-01 3.82 -8.063986088e-02 -8.063986088e-02 3.84 -6.269765325e-02 -6.269765325e-02 3.86 -4.751712193e-02 -4.751712193e-02 3.88 -3.495699067e-02 -3.495699067e-02 3.90 -2.483965907e-02 -2.483965907e-02 3.92 -1.694504410e-02 -1.694504410e-02 3.94 -1.101348592e-02 -1.101348592e-02 3.96 -6.754700930e-03 -6.754700930e-03 3.98 -3.860984303e-03 -3.860984303e-03 4.00 -2.023700462e-03 -2.023700462e-03 4.02 -9.517794026e-04 -9.517794026e-04 4.04 -3.899597531e-04 -3.899597531e-04 4.06 -1.335347487e-04 -1.335347487e-04 4.08 -3.599431168e-05 -3.599431168e-05 4.10 -6.980082890e-06 -6.980082890e-06 4.12 -8.452617958e-07 -8.452617958e-07 4.14 -5.046547833e-08 -5.046547833e-08 4.16 -9.699529784e-10 -9.699529784e-10 4.18 -2.552363843e-12 -2.552363843e-12 4.20 -1.239681094e-16 -1.239681094e-16 4.22 -2.598250091e-25 -2.598250091e-25 4.24 -9.240118280e-52 -9.240118280e-52 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