# 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 = CdHg2Te # 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 1.340730882e+04 1.340730882e+04 0.96 1.178280807e+04 1.178280807e+04 0.98 1.038175751e+04 1.038175751e+04 1.00 9.171450635e+03 9.171450635e+03 1.02 8.123740628e+03 8.123740628e+03 1.04 7.216318330e+03 7.216318330e+03 1.06 6.430514925e+03 6.430514925e+03 1.08 5.748750881e+03 5.748750881e+03 1.10 5.153549211e+03 5.153549211e+03 1.12 4.628648054e+03 4.628648054e+03 1.14 4.161568450e+03 4.161568450e+03 1.16 3.744161433e+03 3.744161433e+03 1.18 3.370937458e+03 3.370937458e+03 1.20 3.037786005e+03 3.037786005e+03 1.22 2.740805608e+03 2.740805608e+03 1.24 2.475690865e+03 2.475690865e+03 1.26 2.237945551e+03 2.237945551e+03 1.28 2.023614924e+03 2.023614924e+03 1.30 1.829916528e+03 1.829916528e+03 1.32 1.655088968e+03 1.655088968e+03 1.34 1.497830984e+03 1.497830984e+03 1.36 1.357061847e+03 1.357061847e+03 1.38 1.231771091e+03 1.231771091e+03 1.40 1.120837786e+03 1.120837786e+03 1.42 1.022946719e+03 1.022946719e+03 1.44 9.365941559e+02 9.365941559e+02 1.46 8.601330095e+02 8.601330095e+02 1.48 7.918499404e+02 7.918499404e+02 1.50 7.300815314e+02 7.300815314e+02 1.52 6.733759385e+02 6.733759385e+02 1.54 6.206612988e+02 6.206612988e+02 1.56 5.713012088e+02 5.713012088e+02 1.58 5.249866318e+02 5.249866318e+02 1.60 4.815812907e+02 4.815812907e+02 1.62 4.410095184e+02 4.410095184e+02 1.64 4.032103342e+02 4.032103342e+02 1.66 3.681298543e+02 3.681298543e+02 1.68 3.357158215e+02 3.357158215e+02 1.70 3.059098125e+02 3.059098125e+02 1.72 2.786415648e+02 2.786415648e+02 1.74 2.538267661e+02 2.538267661e+02 1.76 2.313664292e+02 2.313664292e+02 1.78 2.111467939e+02 2.111467939e+02 1.80 1.930396693e+02 1.930396693e+02 1.82 1.769032496e+02 1.769032496e+02 1.84 1.625833658e+02 1.625833658e+02 1.86 1.499150175e+02 1.499150175e+02 1.88 1.387238943e+02 1.387238943e+02 1.90 1.288276784e+02 1.288276784e+02 1.92 1.200376550e+02 1.200376550e+02 1.94 1.121627076e+02 1.121627076e+02 1.96 1.050186955e+02 1.050186955e+02 1.98 9.844372813e+01 9.844372813e+01 2.00 9.231438535e+01 9.231438535e+01 2.02 8.655381414e+01 8.655381414e+01 2.04 8.112443665e+01 8.112443665e+01 2.06 7.600926324e+01 7.600926324e+01 2.08 7.119642876e+01 7.119642876e+01 2.10 6.667374443e+01 6.667374443e+01 2.12 6.242798413e+01 6.242798413e+01 2.14 5.844487155e+01 5.844487155e+01 2.16 5.470914859e+01 5.470914859e+01 2.18 5.120473512e+01 5.120473512e+01 2.20 4.791500345e+01 4.791500345e+01 2.22 4.482318370e+01 4.482318370e+01 2.24 4.191289921e+01 4.191289921e+01 2.26 3.916879853e+01 3.916879853e+01 2.28 3.657720240e+01 3.657720240e+01 2.30 3.412662876e+01 3.412662876e+01 2.32 3.180802415e+01 3.180802415e+01 2.34 2.961456246e+01 2.961456246e+01 2.36 2.754101506e+01 2.754101506e+01 2.38 2.558291805e+01 2.558291805e+01 2.40 2.373589184e+01 2.373589184e+01 2.42 2.199531850e+01 2.199531850e+01 2.44 2.035628415e+01 2.035628415e+01 2.46 1.881360560e+01 1.881360560e+01 2.48 1.736187488e+01 1.736187488e+01 2.50 1.599552405e+01 1.599552405e+01 2.52 1.470891643e+01 1.470891643e+01 2.54 1.349646702e+01 1.349646702e+01 2.56 1.235279095e+01 1.235279095e+01 2.58 1.127287316e+01 1.127287316e+01 2.60 1.025224375e+01 1.025224375e+01 2.62 9.287132273e+00 9.287132273e+00 2.64 8.374565004e+00 8.374565004e+00 2.66 7.512367229e+00 7.512367229e+00 2.68 6.699048136e+00 6.699048136e+00 2.70 5.933584149e+00 5.933584149e+00 2.72 5.215167361e+00 5.215167361e+00 2.74 4.543011116e+00 4.543011116e+00 2.76 3.916263403e+00 3.916263403e+00 2.78 3.333995854e+00 3.333995854e+00 2.80 2.795207774e+00 2.795207774e+00 2.82 2.298824484e+00 2.298824484e+00 2.84 1.843694102e+00 1.843694102e+00 2.86 1.428584990e+00 1.428584990e+00 2.88 1.052184184e+00 1.052184184e+00 2.90 7.130969260e-01 7.130969260e-01 2.92 4.098474730e-01 4.098474730e-01 2.94 1.408813101e-01 1.408813101e-01 2.96 -9.543106269e-02 -9.543106269e-02 2.98 -3.007886422e-01 -3.007886422e-01 3.00 -4.769526130e-01 -4.769526130e-01 3.02 -6.257371401e-01 -6.257371401e-01 3.04 -7.489982409e-01 -7.489982409e-01 3.06 -8.486207945e-01 -8.486207945e-01 3.08 -9.265038518e-01 -9.265038518e-01 3.10 -9.845445487e-01 -9.845445487e-01 3.12 -1.024621086e+00 -1.024621086e+00 3.14 -1.048575429e+00 -1.048575429e+00 3.16 -1.058196564e+00 -1.058196564e+00 3.18 -1.055205308e+00 -1.055205308e+00 3.20 -1.041241734e+00 -1.041241734e+00 3.22 -1.017856167e+00 -1.017856167e+00 3.24 -9.865043717e-01 -9.865043717e-01 3.26 -9.485468420e-01 -9.485468420e-01 3.28 -9.052511240e-01 -9.052511240e-01 3.30 -8.577949404e-01 -8.577949404e-01 3.32 -8.072670895e-01 -8.072670895e-01 3.34 -7.546633449e-01 -7.546633449e-01 3.36 -7.008765891e-01 -7.008765891e-01 3.38 -6.466840039e-01 -6.466840039e-01 3.40 -5.927374592e-01 -5.927374592e-01 3.42 -5.395634777e-01 -5.395634777e-01 3.44 -4.875756338e-01 -4.875756338e-01 3.46 -4.370981726e-01 -4.370981726e-01 3.48 -3.883974629e-01 -3.883974629e-01 3.50 -3.417160725e-01 -3.417160725e-01 3.52 -2.973017947e-01 -2.973017947e-01 3.54 -2.554227425e-01 -2.554227425e-01 3.56 -2.163623380e-01 -2.163623380e-01 3.58 -1.803959196e-01 -1.803959196e-01 3.60 -1.477601791e-01 -1.477601791e-01 3.62 -1.186289341e-01 -1.186289341e-01 3.64 -9.309997817e-02 -9.309997817e-02 3.66 -7.118883301e-02 -7.118883301e-02 3.68 -5.282561160e-02 -5.282561160e-02 3.70 -3.785457935e-02 -3.785457935e-02 3.72 -2.603719494e-02 -2.603719494e-02 3.74 -1.705960264e-02 -1.705960264e-02 3.76 -1.054552934e-02 -1.054552934e-02 3.78 -6.075262770e-03 -6.075262770e-03 3.80 -3.210678848e-03 -3.210678848e-03 3.82 -1.524979225e-03 -1.524979225e-03 3.84 -6.338783192e-04 -6.338783192e-04 3.86 -2.228211433e-04 -2.228211433e-04 3.88 -6.347581405e-05 -6.347581405e-05 3.90 -1.394308077e-05 -1.394308077e-05 3.92 -2.232625691e-06 -2.232625691e-06 3.94 -2.388975986e-07 -2.388975986e-07 3.96 -1.384865619e-08 -1.384865619e-08 3.98 -2.774166931e-10 -2.774166931e-10 4.00 -8.302802839e-13 -8.302802839e-13 4.02 -5.850983290e-17 -5.850983290e-17 4.04 -4.601368580e-25 -4.601368580e-25 4.06 -6.938677934e-48 -6.938677934e-48 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 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