# 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 = HgTe2Zn # 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 1.919710293e+04 1.919710293e+04 0.96 1.685821566e+04 1.685821566e+04 0.98 1.483885600e+04 1.483885600e+04 1.00 1.309398480e+04 1.309398480e+04 1.02 1.158599895e+04 1.158599895e+04 1.04 1.028379760e+04 1.028379760e+04 1.06 9.158123420e+03 9.158123420e+03 1.08 8.179920175e+03 8.179920175e+03 1.10 7.323374431e+03 7.323374431e+03 1.12 6.569029379e+03 6.569029379e+03 1.14 5.903229794e+03 5.903229794e+03 1.16 5.315836145e+03 5.315836145e+03 1.18 4.797510432e+03 4.797510432e+03 1.20 4.338609195e+03 4.338609195e+03 1.22 3.929564466e+03 3.929564466e+03 1.24 3.561655960e+03 3.561655960e+03 1.26 3.228085907e+03 3.228085907e+03 1.28 2.924514407e+03 2.924514407e+03 1.30 2.648448661e+03 2.648448661e+03 1.32 2.398306870e+03 2.398306870e+03 1.34 2.172747806e+03 2.172747806e+03 1.36 1.970433091e+03 1.970433091e+03 1.38 1.789851521e+03 1.789851521e+03 1.40 1.629165083e+03 1.629165083e+03 1.42 1.486203237e+03 1.486203237e+03 1.44 1.358583006e+03 1.358583006e+03 1.46 1.243911192e+03 1.243911192e+03 1.48 1.140014268e+03 1.140014268e+03 1.50 1.045116522e+03 1.045116522e+03 1.52 9.579019558e+02 9.579019558e+02 1.54 8.774789247e+02 8.774789247e+02 1.56 8.032892026e+02 8.032892026e+02 1.58 7.349349385e+02 7.349349385e+02 1.60 6.720397084e+02 6.720397084e+02 1.62 6.142149139e+02 6.142149139e+02 1.64 5.610788286e+02 5.610788286e+02 1.66 5.122872130e+02 5.122872130e+02 1.68 4.675596324e+02 4.675596324e+02 1.70 4.266873047e+02 4.266873047e+02 1.72 3.895124433e+02 3.895124433e+02 1.74 3.558888822e+02 3.558888822e+02 1.76 3.256521269e+02 3.256521269e+02 1.78 2.986100794e+02 2.986100794e+02 1.80 2.745426980e+02 2.745426980e+02 1.82 2.532038140e+02 2.532038140e+02 1.84 2.343247859e+02 2.343247859e+02 1.86 2.176202627e+02 2.176202627e+02 1.88 2.027960434e+02 2.027960434e+02 1.90 1.895591162e+02 1.895591162e+02 1.92 1.776307850e+02 1.776307850e+02 1.94 1.667632045e+02 1.667632045e+02 1.96 1.567543797e+02 1.567543797e+02 1.98 1.474525430e+02 1.474525430e+02 2.00 1.387490856e+02 1.387490856e+02 2.02 1.305698142e+02 1.305698142e+02 2.04 1.228655552e+02 1.228655552e+02 2.06 1.155992402e+02 1.155992402e+02 2.08 1.087373191e+02 1.087373191e+02 2.10 1.022481685e+02 1.022481685e+02 2.12 9.610262969e+01 9.610262969e+01 2.14 9.027474974e+01 9.027474974e+01 2.16 8.474263758e+01 8.474263758e+01 2.18 7.948897964e+01 7.948897964e+01 2.20 7.450062958e+01 7.450062958e+01 2.22 6.976727234e+01 6.976727234e+01 2.24 6.527989262e+01 6.527989262e+01 2.26 6.102990860e+01 6.102990860e+01 2.28 5.700906411e+01 5.700906411e+01 2.30 5.320955094e+01 5.320955094e+01 2.32 4.962403019e+01 4.962403019e+01 2.34 4.624547910e+01 4.624547910e+01 2.36 4.306688386e+01 4.306688386e+01 2.38 4.008088710e+01 4.008088710e+01 2.40 3.727953376e+01 3.727953376e+01 2.42 3.465417330e+01 3.465417330e+01 2.44 3.219546266e+01 3.219546266e+01 2.46 2.989341251e+01 2.989341251e+01 2.48 2.773747212e+01 2.773747212e+01 2.50 2.571666348e+01 2.571666348e+01 2.52 2.381977483e+01 2.381977483e+01 2.54 2.203561990e+01 2.203561990e+01 2.56 2.035336281e+01 2.035336281e+01 2.58 1.876289540e+01 1.876289540e+01 2.60 1.725523472e+01 1.725523472e+01 2.62 1.582288388e+01 1.582288388e+01 2.64 1.446007690e+01 1.446007690e+01 2.66 1.316282177e+01 1.316282177e+01 2.68 1.192868591e+01 1.192868591e+01 2.70 1.075635032e+01 1.075635032e+01 2.72 9.645070648e+00 9.645070648e+00 2.74 8.594246327e+00 8.594246327e+00 2.76 7.603217983e+00 7.603217983e+00 2.78 6.671234076e+00 6.671234076e+00 2.80 5.797457752e+00 5.797457752e+00 2.82 4.980964432e+00 4.980964432e+00 2.84 4.220735793e+00 4.220735793e+00 2.86 3.515654337e+00 3.515654337e+00 2.88 2.864499086e+00 2.864499086e+00 2.90 2.265942593e+00 2.265942593e+00 2.92 1.718549551e+00 1.718549551e+00 2.94 1.220777233e+00 1.220777233e+00 2.96 7.709780398e-01 7.709780398e-01 2.98 3.674043817e-01 3.674043817e-01 3.00 8.216110644e-03 8.216110644e-03 3.02 -3.085093978e-01 -3.085093978e-01 3.04 -5.847645234e-01 -5.847645234e-01 3.06 -8.225962671e-01 -8.225962671e-01 3.08 -1.024089210e+00 -1.024089210e+00 3.10 -1.191347451e+00 -1.191347451e+00 3.12 -1.326476855e+00 -1.326476855e+00 3.14 -1.431569438e+00 -1.431569438e+00 3.16 -1.508692089e+00 -1.508692089e+00 3.18 -1.559881955e+00 -1.559881955e+00 3.20 -1.587150327e+00 -1.587150327e+00 3.22 -1.592495399e+00 -1.592495399e+00 3.24 -1.577921790e+00 -1.577921790e+00 3.26 -1.545461393e+00 -1.545461393e+00 3.28 -1.497187717e+00 -1.497187717e+00 3.30 -1.435216664e+00 -1.435216664e+00 3.32 -1.361692293e+00 -1.361692293e+00 3.34 -1.278763498e+00 -1.278763498e+00 3.36 -1.188559381e+00 -1.188559381e+00 3.38 -1.093165874e+00 -1.093165874e+00 3.40 -9.946021668e-01 -9.946021668e-01 3.42 -8.947961468e-01 -8.947961468e-01 3.44 -7.955590839e-01 -7.955590839e-01 3.46 -6.985601305e-01 -6.985601305e-01 3.48 -6.053012935e-01 -6.053012935e-01 3.50 -5.170936588e-01 -5.170936588e-01 3.52 -4.350357602e-01 -4.350357602e-01 3.54 -3.599950937e-01 -3.599950937e-01 3.56 -2.925939021e-01 -2.925939021e-01 3.58 -2.332004798e-01 -2.332004798e-01 3.60 -1.819273800e-01 -1.819273800e-01 3.62 -1.386380326e-01 -1.386380326e-01 3.64 -1.029633157e-01 -1.029633157e-01 3.66 -7.432946808e-02 -7.432946808e-02 3.68 -5.199811900e-02 -5.199811900e-02 3.70 -3.511787957e-02 -3.511787957e-02 3.72 -2.278458922e-02 -2.278458922e-02 3.74 -1.410405961e-02 -1.410405961e-02 3.76 -8.247962422e-03 -8.247962422e-03 3.78 -4.492631869e-03 -4.492631869e-03 3.80 -2.234861680e-03 -2.234861680e-03 3.82 -9.885769894e-04 -9.885769894e-04 3.84 -3.749652043e-04 -3.749652043e-04 3.86 -1.157836036e-04 -1.157836036e-04 3.88 -2.691420294e-05 -2.691420294e-05 3.90 -4.162569226e-06 -4.162569226e-06 3.92 -3.490369055e-07 -3.490369055e-07 3.94 -1.102376810e-08 -1.102376810e-08 3.96 -6.389815485e-11 -6.389815485e-11 3.98 -1.303169326e-14 -1.303169326e-14 4.00 -7.475579349e-22 -7.475579349e-22 4.02 -1.629049471e-42 -1.629049471e-42 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 0.000000000e+00 5.26 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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