# 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 = HgTeZn2 # 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 1.175153578e+04 1.175153578e+04 0.96 1.031976233e+04 1.031976233e+04 0.98 9.086653184e+03 9.086653184e+03 1.00 8.021569035e+03 8.021569035e+03 1.02 7.102430300e+03 7.102430300e+03 1.04 6.310837614e+03 6.310837614e+03 1.06 5.626847454e+03 5.626847454e+03 1.08 5.029458643e+03 5.029458643e+03 1.10 4.501320085e+03 4.501320085e+03 1.12 4.032268690e+03 4.032268690e+03 1.14 3.616616923e+03 3.616616923e+03 1.16 3.249073037e+03 3.249073037e+03 1.18 2.923758745e+03 2.923758745e+03 1.20 2.634586405e+03 2.634586405e+03 1.22 2.375830769e+03 2.375830769e+03 1.24 2.142761238e+03 2.142761238e+03 1.26 1.932200186e+03 1.932200186e+03 1.28 1.742290416e+03 1.742290416e+03 1.30 1.571630047e+03 1.571630047e+03 1.32 1.418959751e+03 1.418959751e+03 1.34 1.283158483e+03 1.283158483e+03 1.36 1.163123790e+03 1.163123790e+03 1.38 1.057578954e+03 1.057578954e+03 1.40 9.649446978e+02 9.649446978e+02 1.42 8.833305706e+02 8.833305706e+02 1.44 8.106441438e+02 8.106441438e+02 1.46 7.448312077e+02 7.448312077e+02 1.48 6.842152278e+02 6.842152278e+02 1.50 6.277518467e+02 6.277518467e+02 1.52 5.749556307e+02 5.749556307e+02 1.54 5.256017945e+02 5.256017945e+02 1.56 4.795571770e+02 4.795571770e+02 1.58 4.367340093e+02 4.367340093e+02 1.60 3.970563120e+02 3.970563120e+02 1.62 3.604441484e+02 3.604441484e+02 1.64 3.268134847e+02 3.268134847e+02 1.66 2.960782420e+02 2.960782420e+02 1.68 2.681504077e+02 2.681504077e+02 1.70 2.429376166e+02 2.429376166e+02 1.72 2.203383823e+02 2.203383823e+02 1.74 2.002357123e+02 2.002357123e+02 1.76 1.824914303e+02 1.824914303e+02 1.78 1.669431417e+02 1.669431417e+02 1.80 1.534031061e+02 1.534031061e+02 1.82 1.416583886e+02 1.416583886e+02 1.84 1.314731547e+02 1.314731547e+02 1.86 1.225947268e+02 1.225947268e+02 1.88 1.147651914e+02 1.147651914e+02 1.90 1.077393966e+02 1.077393966e+02 1.92 1.013071985e+02 1.013071985e+02 1.94 9.531290888e+01 9.531290888e+01 1.96 8.966129374e+01 8.966129374e+01 1.98 8.430403641e+01 8.430403641e+01 2.00 7.921551912e+01 7.921551912e+01 2.02 7.437635167e+01 7.437635167e+01 2.04 6.976970697e+01 6.976970697e+01 2.06 6.538183289e+01 6.538183289e+01 2.08 6.120230786e+01 6.120230786e+01 2.10 5.722348011e+01 5.722348011e+01 2.12 5.343926053e+01 5.343926053e+01 2.14 4.984392091e+01 4.984392091e+01 2.16 4.643149198e+01 4.643149198e+01 2.18 4.319569014e+01 4.319569014e+01 2.20 4.013000463e+01 4.013000463e+01 2.22 3.722782382e+01 3.722782382e+01 2.24 3.448259992e+01 3.448259992e+01 2.26 3.188803881e+01 3.188803881e+01 2.28 2.943828296e+01 2.943828296e+01 2.30 2.712803803e+01 2.712803803e+01 2.32 2.495258678e+01 2.495258678e+01 2.34 2.290765480e+01 2.290765480e+01 2.36 2.098915037e+01 2.098915037e+01 2.38 1.919287647e+01 1.919287647e+01 2.40 1.751433437e+01 1.751433437e+01 2.42 1.594865839e+01 1.594865839e+01 2.44 1.449062505e+01 1.449062505e+01 2.46 1.313468522e+01 1.313468522e+01 2.48 1.187501360e+01 1.187501360e+01 2.50 1.070558076e+01 1.070558076e+01 2.52 9.620251174e+00 9.620251174e+00 2.54 8.612908646e+00 8.612908646e+00 2.56 7.677607029e+00 7.677607029e+00 2.58 6.808738354e+00 6.808738354e+00 2.60 6.001202074e+00 6.001202074e+00 2.62 5.250549324e+00 5.250549324e+00 2.64 4.553068090e+00 4.553068090e+00 2.66 3.905775369e+00 3.905775369e+00 2.68 3.306299239e+00 3.306299239e+00 2.70 2.752671657e+00 2.752671657e+00 2.72 2.243100040e+00 2.243100040e+00 2.74 1.775805671e+00 1.775805671e+00 2.76 1.348972504e+00 1.348972504e+00 2.78 9.607697484e-01 9.607697484e-01 2.80 6.093877641e-01 6.093877641e-01 2.82 2.930668485e-01 2.930668485e-01 2.84 1.012080651e-02 1.012080651e-02 2.86 -2.410463056e-01 -2.410463056e-01 2.88 -4.619344801e-01 -4.619344801e-01 2.90 -6.539571198e-01 -6.539571198e-01 2.92 -8.184675650e-01 -8.184675650e-01 2.94 -9.568008866e-01 -9.568008866e-01 2.96 -1.070323284e+00 -1.070323284e+00 2.98 -1.160475963e+00 -1.160475963e+00 3.00 -1.228799367e+00 -1.228799367e+00 3.02 -1.276930943e+00 -1.276930943e+00 3.04 -1.306583039e+00 -1.306583039e+00 3.06 -1.319515330e+00 -1.319515330e+00 3.08 -1.317510020e+00 -1.317510020e+00 3.10 -1.302348157e+00 -1.302348157e+00 3.12 -1.275784140e+00 -1.275784140e+00 3.14 -1.239518166e+00 -1.239518166e+00 3.16 -1.195167604e+00 -1.195167604e+00 3.18 -1.144238878e+00 -1.144238878e+00 3.20 -1.088102079e+00 -1.088102079e+00 3.22 -1.027971211e+00 -1.027971211e+00 3.24 -9.648935294e-01 -9.648935294e-01 3.26 -8.997516207e-01 -8.997516207e-01 3.28 -8.332812090e-01 -8.332812090e-01 3.30 -7.661055059e-01 -7.661055059e-01 3.32 -6.987827991e-01 -6.987827991e-01 3.34 -6.318580534e-01 -6.318580534e-01 3.36 -5.659037148e-01 -5.659037148e-01 3.38 -5.015343326e-01 -5.015343326e-01 3.40 -4.393892577e-01 -4.393892577e-01 3.42 -3.800954626e-01 -3.800954626e-01 3.44 -3.242325896e-01 -3.242325896e-01 3.46 -2.723111156e-01 -2.723111156e-01 3.48 -2.247584167e-01 -2.247584167e-01 3.50 -1.819067747e-01 -1.819067747e-01 3.52 -1.439822789e-01 -1.439822789e-01 3.54 -1.110951565e-01 -1.110951565e-01 3.56 -8.323233864e-02 -8.323233864e-02 3.58 -6.025329766e-02 -6.025329766e-02 3.60 -4.189044271e-02 -4.189044271e-02 3.62 -2.775561289e-02 -2.775561289e-02 3.64 -1.735434557e-02 -1.735434557e-02 3.66 -1.010945167e-02 -1.010945167e-02 3.68 -5.394708741e-03 -5.394708741e-03 3.70 -2.577841073e-03 -2.577841073e-03 3.72 -1.069145124e-03 -1.069145124e-03 3.74 -3.683641216e-04 -3.683641216e-04 3.76 -9.900055798e-05 -9.900055798e-05 3.78 -1.892689462e-05 -1.892689462e-05 3.80 -2.247463593e-06 -2.247463593e-06 3.82 -1.365726573e-07 -1.365726573e-07 3.84 -3.237208144e-09 -3.237208144e-09 3.86 -1.719220011e-11 -1.719220011e-11 3.88 -4.132783224e-15 -4.132783224e-15 3.90 -5.193291920e-22 -5.193291920e-22 3.92 -2.095320578e-40 -2.095320578e-40 3.94 -7.309172947e-242 -7.309172947e-242 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 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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