# 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 = CdSeZn2 # 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 1.141293883e+04 1.141293883e+04 0.96 1.002384130e+04 1.002384130e+04 0.98 8.831160028e+03 8.831160028e+03 1.00 7.804238071e+03 7.804238071e+03 1.02 6.916079667e+03 6.916079667e+03 1.04 6.145017727e+03 6.145017727e+03 1.06 5.474313842e+03 5.474313842e+03 1.08 4.889035145e+03 4.889035145e+03 1.10 4.374752978e+03 4.374752978e+03 1.12 3.919674234e+03 3.919674234e+03 1.14 3.515061507e+03 3.515061507e+03 1.16 3.153952496e+03 3.153952496e+03 1.18 2.830701588e+03 2.830701588e+03 1.20 2.541275391e+03 2.541275391e+03 1.22 2.282775146e+03 2.282775146e+03 1.24 2.052498729e+03 2.052498729e+03 1.26 1.847700170e+03 1.847700170e+03 1.28 1.665767954e+03 1.665767954e+03 1.30 1.504420259e+03 1.504420259e+03 1.32 1.361659487e+03 1.361659487e+03 1.34 1.235532332e+03 1.235532332e+03 1.36 1.123994799e+03 1.123994799e+03 1.38 1.024934588e+03 1.024934588e+03 1.40 9.363147213e+02 9.363147213e+02 1.42 8.563464939e+02 8.563464939e+02 1.44 7.835480040e+02 7.835480040e+02 1.46 7.167098955e+02 7.167098955e+02 1.48 6.549354673e+02 6.549354673e+02 1.50 5.976628151e+02 5.976628151e+02 1.52 5.445537198e+02 5.445537198e+02 1.54 4.953896843e+02 4.953896843e+02 1.56 4.500306182e+02 4.500306182e+02 1.58 4.083617272e+02 4.083617272e+02 1.60 3.702565393e+02 3.702565393e+02 1.62 3.355715651e+02 3.355715651e+02 1.64 3.041496505e+02 3.041496505e+02 1.66 2.758234303e+02 2.758234303e+02 1.68 2.504169117e+02 2.504169117e+02 1.70 2.277441176e+02 2.277441176e+02 1.72 2.076054170e+02 2.076054170e+02 1.74 1.897836287e+02 1.897836287e+02 1.76 1.740427039e+02 1.740427039e+02 1.78 1.601314328e+02 1.601314328e+02 1.80 1.477931681e+02 1.477931681e+02 1.82 1.367821728e+02 1.367821728e+02 1.84 1.268834632e+02 1.268834632e+02 1.86 1.179260566e+02 1.179260566e+02 1.88 1.097799410e+02 1.097799410e+02 1.90 1.023412066e+02 1.023412066e+02 1.92 9.552061645e+01 9.552061645e+01 1.94 8.923791697e+01 8.923791697e+01 1.96 8.341814029e+01 8.341814029e+01 1.98 7.799323559e+01 7.799323559e+01 2.00 7.290719703e+01 7.290719703e+01 2.02 6.811947237e+01 6.811947237e+01 2.04 6.360380646e+01 6.360380646e+01 2.06 5.934332216e+01 5.934332216e+01 2.08 5.532596280e+01 5.532596280e+01 2.10 5.154230607e+01 5.154230607e+01 2.12 4.798414192e+01 4.798414192e+01 2.14 4.464319584e+01 4.464319584e+01 2.16 4.151046760e+01 4.151046760e+01 2.18 3.857611853e+01 3.857611853e+01 2.20 3.582953347e+01 3.582953347e+01 2.22 3.325943771e+01 3.325943771e+01 2.24 3.085407930e+01 3.085407930e+01 2.26 2.860147955e+01 2.860147955e+01 2.28 2.648973903e+01 2.648973903e+01 2.30 2.450736598e+01 2.450736598e+01 2.32 2.264357308e+01 2.264357308e+01 2.34 2.088847979e+01 2.088847979e+01 2.36 1.923318158e+01 1.923318158e+01 2.38 1.766971451e+01 1.766971451e+01 2.40 1.619102180e+01 1.619102180e+01 2.42 1.479102710e+01 1.479102710e+01 2.44 1.346479147e+01 1.346479147e+01 2.46 1.220861112e+01 1.220861112e+01 2.48 1.101994030e+01 1.101994030e+01 2.50 9.897119421e+00 9.897119421e+00 2.52 8.838981740e+00 8.838981740e+00 2.54 7.844487468e+00 7.844487468e+00 2.56 6.912516450e+00 6.912516450e+00 2.58 6.041818415e+00 6.041818415e+00 2.60 5.231019550e+00 5.231019550e+00 2.62 4.478625721e+00 4.478625721e+00 2.64 3.783022702e+00 3.783022702e+00 2.66 3.142478721e+00 3.142478721e+00 2.68 2.555150250e+00 2.555150250e+00 2.70 2.019091396e+00 2.019091396e+00 2.72 1.532267158e+00 1.532267158e+00 2.74 1.092570586e+00 1.092570586e+00 2.76 6.978436333e-01 6.978436333e-01 2.78 3.459009978e-01 3.459009978e-01 2.80 3.455567940e-02 3.455567940e-02 2.82 -2.383558088e-01 -2.383558088e-01 2.84 -4.749514706e-01 -4.749514706e-01 2.86 -6.772887645e-01 -6.772887645e-01 2.88 -8.473604556e-01 -8.473604556e-01 2.90 -9.871048094e-01 -9.871048094e-01 2.92 -1.098431435e+00 -1.098431435e+00 2.94 -1.183260029e+00 -1.183260029e+00 2.96 -1.243563685e+00 -1.243563685e+00 2.98 -1.281403514e+00 -1.281403514e+00 3.00 -1.298940985e+00 -1.298940985e+00 3.02 -1.298422241e+00 -1.298422241e+00 3.04 -1.282141918e+00 -1.282141918e+00 3.06 -1.252401214e+00 -1.252401214e+00 3.08 -1.211468454e+00 -1.211468454e+00 3.10 -1.161540701e+00 -1.161540701e+00 3.12 -1.104704233e+00 -1.104704233e+00 3.14 -1.042894689e+00 -1.042894689e+00 3.16 -9.778593256e-01 -9.778593256e-01 3.18 -9.111247202e-01 -9.111247202e-01 3.20 -8.439741463e-01 -8.439741463e-01 3.22 -7.774394379e-01 -7.774394379e-01 3.24 -7.123119582e-01 -7.123119582e-01 3.26 -6.491754730e-01 -6.491754730e-01 3.28 -5.884593045e-01 -5.884593045e-01 3.30 -5.305026437e-01 -5.305026437e-01 3.32 -4.756119823e-01 -4.756119823e-01 3.34 -4.240890722e-01 -4.240890722e-01 3.36 -3.762157813e-01 -3.762157813e-01 3.38 -3.322073866e-01 -3.322073866e-01 3.40 -2.921677125e-01 -2.921677125e-01 3.42 -2.560696722e-01 -2.560696722e-01 3.44 -2.237578298e-01 -2.237578298e-01 3.46 -1.949641334e-01 -1.949641334e-01 3.48 -1.693351096e-01 -1.693351096e-01 3.50 -1.464702204e-01 -1.464702204e-01 3.52 -1.259685936e-01 -1.259685936e-01 3.54 -1.074774447e-01 -1.074774447e-01 3.56 -9.073144111e-02 -9.073144111e-02 3.58 -7.557058920e-02 -7.557058920e-02 3.60 -6.192868769e-02 -6.192868769e-02 3.62 -4.979671010e-02 -4.979671010e-02 3.64 -3.917951193e-02 -3.917951193e-02 3.66 -3.006585999e-02 -3.006585999e-02 3.68 -2.241647673e-02 -2.241647673e-02 3.70 -1.616159757e-02 -1.616159757e-02 3.72 -1.120149937e-02 -1.120149937e-02 3.74 -7.408790626e-03 -7.408790626e-03 3.76 -4.632736230e-03 -4.632736230e-03 3.78 -2.705898139e-03 -2.705898139e-03 3.80 -1.453125778e-03 -1.453125778e-03 3.82 -7.024779129e-04 -7.024779129e-04 3.84 -2.969917357e-04 -2.969917357e-04 3.86 -1.054395306e-04 -1.054395306e-04 3.88 -2.963754051e-05 -2.963754051e-05 3.90 -6.035828575e-06 -6.035828575e-06 3.92 -7.741308171e-07 -7.741308171e-07 3.94 -4.941920158e-08 -4.941920158e-08 3.96 -1.024014538e-09 -1.024014538e-09 3.98 -2.895298284e-12 -2.895298284e-12 4.00 -1.418127177e-16 -1.418127177e-16 4.02 -1.959267585e-25 -1.959267585e-25 4.04 -4.306275033e-54 -4.306275033e-54 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 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