# 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 = Hg2S # 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 1.264563571e+04 0.88 1.100588422e+04 0.90 9.598758670e+03 0.92 8.388177695e+03 0.94 7.348215391e+03 0.96 6.458727293e+03 0.98 5.699427194e+03 1.00 5.048492421e+03 1.02 4.484600510e+03 1.04 3.990430030e+03 1.06 3.554827177e+03 1.08 3.170424118e+03 1.10 2.831284135e+03 1.12 2.531954444e+03 1.14 2.266828113e+03 1.16 2.030479599e+03 1.18 1.818730854e+03 1.20 1.629199732e+03 1.22 1.460548135e+03 1.24 1.311558710e+03 1.26 1.180806509e+03 1.28 1.066600279e+03 1.30 9.670033740e+02 1.32 8.798979452e+02 1.34 8.030977011e+02 1.36 7.345062447e+02 1.38 6.723098081e+02 1.40 6.151710177e+02 1.42 5.622903791e+02 1.44 5.132280251e+02 1.46 4.676971393e+02 1.48 4.255032028e+02 1.50 3.865197467e+02 1.52 3.506452708e+02 1.54 3.177716101e+02 1.56 2.877758450e+02 1.58 2.605211086e+02 1.60 2.358593251e+02 1.62 2.136349364e+02 1.64 1.936885329e+02 1.66 1.758588263e+02 1.68 1.599819397e+02 1.70 1.458885906e+02 1.72 1.334002391e+02 1.74 1.223250664e+02 1.76 1.124577477e+02 1.78 1.035874491e+02 1.80 9.551359676e+01 1.82 8.806612586e+01 1.84 8.112297617e+01 1.86 7.461369484e+01 1.88 6.850436165e+01 1.90 6.277689758e+01 1.92 5.741863452e+01 1.94 5.241927169e+01 1.96 4.776905619e+01 1.98 4.345782527e+01 2.00 3.947473243e+01 2.02 3.580813656e+01 2.04 3.244550486e+01 2.06 2.937333055e+01 2.08 2.657707104e+01 2.10 2.404111305e+01 2.12 2.174877343e+01 2.14 1.968234704e+01 2.16 1.782321548e+01 2.18 1.615203247e+01 2.20 1.464900163e+01 2.22 1.329425780e+01 2.24 1.206835167e+01 2.26 1.095281649e+01 2.28 9.930764505e+00 2.30 8.987427176e+00 2.32 8.110533979e+00 2.34 7.290446449e+00 2.36 6.520040785e+00 2.38 5.794421579e+00 2.40 5.110545899e+00 2.42 4.466723742e+00 2.44 3.861975556e+00 2.46 3.295474044e+00 2.48 2.766326921e+00 2.50 2.273606151e+00 2.52 1.816385934e+00 2.54 1.393743850e+00 2.56 1.004755299e+00 2.58 6.484880044e-01 2.60 3.239968044e-01 2.62 3.031876603e-02 2.64 -2.335313545e-01 2.66 -4.685652631e-01 2.68 -6.758248468e-01 2.70 -8.563854076e-01 2.72 -1.011358352e+00 2.74 -1.141893272e+00 2.76 -1.249179338e+00 2.78 -1.334445947e+00 2.80 -1.398962516e+00 2.82 -1.444037372e+00 2.84 -1.471015634e+00 2.86 -1.481276028e+00 2.88 -1.476226551e+00 2.90 -1.457298957e+00 2.92 -1.425941999e+00 2.94 -1.383613446e+00 2.96 -1.331770889e+00 2.98 -1.271861409e+00 3.00 -1.205310226e+00 3.02 -1.133508527e+00 3.04 -1.057800716e+00 3.06 -9.794714282e-01 3.08 -8.997327494e-01 3.10 -8.197121310e-01 3.12 -7.404416126e-01 3.14 -6.628489988e-01 3.16 -5.877516641e-01 3.18 -5.158536063e-01 3.20 -4.477462026e-01 3.22 -3.839128008e-01 3.24 -3.247367440e-01 3.26 -2.705116772e-01 3.28 -2.214520748e-01 3.30 -1.777010894e-01 3.32 -1.393325256e-01 3.34 -1.063446360e-01 3.36 -7.864606649e-02 3.38 -5.603824564e-02 3.40 -3.820178313e-02 3.42 -2.469418998e-02 3.44 -1.496229828e-02 3.46 -8.369124042e-03 3.48 -4.233974078e-03 3.50 -1.883509855e-03 3.52 -7.080010279e-04 3.54 -2.121525652e-04 3.56 -4.637786352e-05 3.58 -6.418287954e-06 3.60 -4.414574746e-07 3.62 -9.628712425e-09 3.64 -2.602759939e-11 3.66 -8.327543462e-16 3.68 -1.075214327e-25 3.70 -3.086047852e-65 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