# 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 = Cd2STe # 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 1.849354924e+04 1.849354924e+04 0.96 1.626647748e+04 1.626647748e+04 0.98 1.434228362e+04 1.434228362e+04 1.00 1.267913947e+04 1.267913947e+04 1.02 1.124378798e+04 1.124378798e+04 1.04 1.000099092e+04 1.000099092e+04 1.06 8.913892958e+03 8.913892958e+03 1.08 7.952689497e+03 7.952689497e+03 1.10 7.100709437e+03 7.100709437e+03 1.12 6.348041803e+03 6.348041803e+03 1.14 5.684407975e+03 5.684407975e+03 1.16 5.098020244e+03 5.098020244e+03 1.18 4.577075920e+03 4.577075920e+03 1.20 4.111847242e+03 4.111847242e+03 1.22 3.695574075e+03 3.695574075e+03 1.24 3.324012346e+03 3.324012346e+03 1.26 2.994123503e+03 2.994123503e+03 1.28 2.702582150e+03 2.702582150e+03 1.30 2.445472575e+03 2.445472575e+03 1.32 2.218594481e+03 2.218594481e+03 1.34 2.017946105e+03 2.017946105e+03 1.36 1.840118575e+03 1.840118575e+03 1.38 1.682235152e+03 1.682235152e+03 1.40 1.541543851e+03 1.541543851e+03 1.42 1.415242534e+03 1.415242534e+03 1.44 1.300679770e+03 1.300679770e+03 1.46 1.195764456e+03 1.195764456e+03 1.48 1.099187312e+03 1.099187312e+03 1.50 1.010137569e+03 1.010137569e+03 1.52 9.279299626e+02 9.279299626e+02 1.54 8.519023512e+02 8.519023512e+02 1.56 7.814329530e+02 7.814329530e+02 1.58 7.159782920e+02 7.159782920e+02 1.60 6.551139184e+02 6.551139184e+02 1.62 5.985625149e+02 5.985625149e+02 1.64 5.461665712e+02 5.461665712e+02 1.66 4.978181707e+02 4.978181707e+02 1.68 4.534153619e+02 4.534153619e+02 1.70 4.128497535e+02 4.128497535e+02 1.72 3.759971187e+02 3.759971187e+02 1.74 3.427064602e+02 3.427064602e+02 1.76 3.127910206e+02 3.127910206e+02 1.78 2.860242652e+02 2.860242652e+02 1.80 2.621401965e+02 2.621401965e+02 1.82 2.408379151e+02 2.408379151e+02 1.84 2.217925364e+02 2.217925364e+02 1.86 2.046747881e+02 2.046747881e+02 1.88 1.891794740e+02 1.891794740e+02 1.90 1.750571264e+02 1.750571264e+02 1.92 1.621342869e+02 1.621342869e+02 1.94 1.503046308e+02 1.503046308e+02 1.96 1.394926152e+02 1.394926152e+02 1.98 1.296223654e+02 1.296223654e+02 2.00 1.206096421e+02 1.206096421e+02 2.02 1.123635225e+02 1.123635225e+02 2.04 1.047904930e+02 1.047904930e+02 2.06 9.780047763e+01 9.780047763e+01 2.08 9.131410710e+01 9.131410710e+01 2.10 8.526917684e+01 8.526917684e+01 2.12 7.962307694e+01 7.962307694e+01 2.14 7.434885044e+01 7.434885044e+01 2.16 6.942684210e+01 6.942684210e+01 2.18 6.483793535e+01 6.483793535e+01 2.20 6.056136520e+01 6.056136520e+01 2.22 5.657476400e+01 5.657476400e+01 2.24 5.285461067e+01 5.285461067e+01 2.26 4.937687582e+01 4.937687582e+01 2.28 4.611785425e+01 4.611785425e+01 2.30 4.305512167e+01 4.305512167e+01 2.32 4.016848555e+01 4.016848555e+01 2.34 3.744074169e+01 3.744074169e+01 2.36 3.485804336e+01 3.485804336e+01 2.38 3.240978084e+01 3.240978084e+01 2.40 3.008803274e+01 3.008803274e+01 2.42 2.788676245e+01 2.788676245e+01 2.44 2.580092913e+01 2.580092913e+01 2.46 2.382572539e+01 2.382572539e+01 2.48 2.195619690e+01 2.195619690e+01 2.50 2.018722426e+01 2.018722426e+01 2.52 1.851362252e+01 1.851362252e+01 2.54 1.693025669e+01 1.693025669e+01 2.56 1.543217809e+01 1.543217809e+01 2.58 1.401477869e+01 1.401477869e+01 2.60 1.267394882e+01 1.267394882e+01 2.62 1.140621344e+01 1.140621344e+01 2.64 1.020881325e+01 1.020881325e+01 2.66 9.079695376e+00 9.079695376e+00 2.68 8.017393522e+00 8.017393522e+00 2.70 7.020813464e+00 7.020813464e+00 2.72 6.088988109e+00 6.088988109e+00 2.74 5.220889610e+00 5.220889610e+00 2.76 4.415345712e+00 4.415345712e+00 2.78 3.671028052e+00 3.671028052e+00 2.80 2.986454113e+00 2.986454113e+00 2.82 2.359983898e+00 2.359983898e+00 2.84 1.789816049e+00 1.789816049e+00 2.86 1.273985965e+00 1.273985965e+00 2.88 8.103664804e-01 8.103664804e-01 2.90 3.966715705e-01 3.966715705e-01 2.92 3.046354486e-02 3.046354486e-02 2.94 -2.908357719e-01 -2.908357719e-01 2.96 -5.699293929e-01 -5.699293929e-01 2.98 -8.096246195e-01 -8.096246195e-01 3.00 -1.012807243e+00 -1.012807243e+00 3.02 -1.182410316e+00 -1.182410316e+00 3.04 -1.321377571e+00 -1.321377571e+00 3.06 -1.432621941e+00 -1.432621941e+00 3.08 -1.518980185e+00 -1.518980185e+00 3.10 -1.583165327e+00 -1.583165327e+00 3.12 -1.627719544e+00 -1.627719544e+00 3.14 -1.654971156e+00 -1.654971156e+00 3.16 -1.667000432e+00 -1.667000432e+00 3.18 -1.665619686e+00 -1.665619686e+00 3.20 -1.652373116e+00 -1.652373116e+00 3.22 -1.628560409e+00 -1.628560409e+00 3.24 -1.595284532e+00 -1.595284532e+00 3.26 -1.553518250e+00 -1.553518250e+00 3.28 -1.504176792e+00 -1.504176792e+00 3.30 -1.448179384e+00 -1.448179384e+00 3.32 -1.386484888e+00 -1.386484888e+00 3.34 -1.320098690e+00 -1.320098690e+00 3.36 -1.250061341e+00 -1.250061341e+00 3.38 -1.177430691e+00 -1.177430691e+00 3.40 -1.103259858e+00 -1.103259858e+00 3.42 -1.028570602e+00 -1.028570602e+00 3.44 -9.543257424e-01 -9.543257424e-01 3.46 -8.814037442e-01 -8.814037442e-01 3.48 -8.105753057e-01 -8.105753057e-01 3.50 -7.424813875e-01 -7.424813875e-01 3.52 -6.776137287e-01 -6.776137287e-01 3.54 -6.163001435e-01 -6.163001435e-01 3.56 -5.586976813e-01 -5.586976813e-01 3.58 -5.047973341e-01 -5.047973341e-01 3.60 -4.544440929e-01 -4.544440929e-01 3.62 -4.073751354e-01 -4.073751354e-01 3.64 -3.632758925e-01 -3.632758925e-01 3.66 -3.218479146e-01 -3.218479146e-01 3.68 -2.828743254e-01 -2.828743254e-01 3.70 -2.462617747e-01 -2.462617747e-01 3.72 -2.120399315e-01 -2.120399315e-01 3.74 -1.803180229e-01 -1.803180229e-01 3.76 -1.512252938e-01 -1.512252938e-01 3.78 -1.248692399e-01 -1.248692399e-01 3.80 -1.013189952e-01 -1.013189952e-01 3.82 -8.059975121e-02 -8.059975121e-02 3.84 -6.268936189e-02 -6.268936189e-02 3.86 -4.751595322e-02 -4.751595322e-02 3.88 -3.495689777e-02 -3.495689777e-02 3.90 -2.483965607e-02 -2.483965607e-02 3.92 -1.694504407e-02 -1.694504407e-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