# 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 = CdSe2Zn # 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 1.700382356e+04 1.700382356e+04 0.96 1.492175981e+04 1.492175981e+04 0.98 1.313384722e+04 1.313384722e+04 1.00 1.159785034e+04 1.159785034e+04 1.02 1.027458708e+04 1.027458708e+04 1.04 9.131825626e+03 9.131825626e+03 1.06 8.143341761e+03 8.143341761e+03 1.08 7.285240904e+03 7.285240904e+03 1.10 6.534062567e+03 6.534062567e+03 1.12 5.869810080e+03 5.869810080e+03 1.14 5.278459624e+03 5.278459624e+03 1.16 4.749641675e+03 4.749641675e+03 1.18 4.275046050e+03 4.275046050e+03 1.20 3.848717586e+03 3.848717586e+03 1.22 3.465979892e+03 3.465979892e+03 1.24 3.122312451e+03 3.122312451e+03 1.26 2.813596809e+03 2.813596809e+03 1.28 2.536715078e+03 2.536715078e+03 1.30 2.289432888e+03 2.289432888e+03 1.32 2.069603504e+03 2.069603504e+03 1.34 1.874765629e+03 1.874765629e+03 1.36 1.702195103e+03 1.702195103e+03 1.38 1.549067420e+03 1.549067420e+03 1.40 1.412677369e+03 1.412677369e+03 1.42 1.290644231e+03 1.290644231e+03 1.44 1.180932152e+03 1.180932152e+03 1.46 1.081696369e+03 1.081696369e+03 1.48 9.912250446e+02 9.912250446e+02 1.50 9.080582871e+02 9.080582871e+02 1.52 8.311385886e+02 8.311385886e+02 1.54 7.598062215e+02 7.598062215e+02 1.56 6.936539283e+02 6.936539283e+02 1.58 6.324184318e+02 6.324184318e+02 1.60 5.759275748e+02 5.759275748e+02 1.62 5.240401515e+02 5.240401515e+02 1.64 4.766036036e+02 4.766036036e+02 1.66 4.334430392e+02 4.334430392e+02 1.68 3.943602039e+02 3.943602039e+02 1.70 3.591329230e+02 3.591329230e+02 1.72 3.275159527e+02 3.275159527e+02 1.74 2.992440791e+02 2.992440791e+02 1.76 2.740361305e+02 2.740361305e+02 1.78 2.515992113e+02 2.515992113e+02 1.80 2.316354635e+02 2.316354635e+02 1.82 2.138549210e+02 2.138549210e+02 1.84 1.979921859e+02 1.979921859e+02 1.86 1.838153278e+02 1.838153278e+02 1.88 1.711169159e+02 1.711169159e+02 1.90 1.596950410e+02 1.596950410e+02 1.92 1.493459047e+02 1.493459047e+02 1.94 1.398730576e+02 1.398730576e+02 1.96 1.311030317e+02 1.311030317e+02 1.98 1.229006757e+02 1.229006757e+02 2.00 1.151773634e+02 1.151773634e+02 2.02 1.078844724e+02 1.078844724e+02 2.04 1.009959038e+02 1.009959038e+02 2.06 9.449462661e+01 9.449462661e+01 2.08 8.836747286e+01 8.836747286e+01 2.10 8.260282485e+01 8.260282485e+01 2.12 7.718922506e+01 7.718922506e+01 2.14 7.211447171e+01 7.211447171e+01 2.16 6.736512844e+01 6.736512844e+01 2.18 6.292639267e+01 6.292639267e+01 2.20 5.878211359e+01 5.878211359e+01 2.22 5.491488627e+01 5.491488627e+01 2.24 5.130623301e+01 5.130623301e+01 2.26 4.793688061e+01 4.793688061e+01 2.28 4.478712767e+01 4.478712767e+01 2.30 4.183727409e+01 4.183727409e+01 2.32 3.906806157e+01 3.906806157e+01 2.34 3.646106136e+01 3.646106136e+01 2.36 3.399896727e+01 3.399896727e+01 2.38 3.166582019e+01 3.166582019e+01 2.40 2.944726974e+01 2.944726974e+01 2.42 2.733096597e+01 2.733096597e+01 2.44 2.530701306e+01 2.530701306e+01 2.46 2.336825713e+01 2.336825713e+01 2.48 2.151020296e+01 2.151020296e+01 2.50 1.973050112e+01 1.973050112e+01 2.52 1.802814028e+01 1.802814028e+01 2.54 1.640265816e+01 1.640265816e+01 2.56 1.485366938e+01 1.485366938e+01 2.58 1.338073403e+01 1.338073403e+01 2.60 1.198335979e+01 1.198335979e+01 2.62 1.066100158e+01 1.066100158e+01 2.64 9.413051439e+00 9.413051439e+00 2.66 8.238827296e+00 8.238827296e+00 2.68 7.137561959e+00 7.137561959e+00 2.70 6.108392162e+00 6.108392162e+00 2.72 5.150347896e+00 5.150347896e+00 2.74 4.262342051e+00 4.262342051e+00 2.76 3.443160515e+00 3.443160515e+00 2.78 2.691452854e+00 2.691452854e+00 2.80 2.005723740e+00 2.005723740e+00 2.82 1.384325302e+00 1.384325302e+00 2.84 8.254506137e-01 8.254506137e-01 2.86 3.271285510e-01 3.271285510e-01 2.88 -1.127797325e-01 -1.127797325e-01 2.90 -4.965824268e-01 -4.965824268e-01 2.92 -8.267564902e-01 -8.267564902e-01 2.94 -1.105944567e+00 -1.105944567e+00 2.96 -1.336949083e+00 -1.336949083e+00 2.98 -1.522723202e+00 -1.522723202e+00 3.00 -1.666358359e+00 -1.666358359e+00 3.02 -1.771068095e+00 -1.771068095e+00 3.04 -1.840168007e+00 -1.840168007e+00 3.06 -1.877051687e+00 -1.877051687e+00 3.08 -1.885162650e+00 -1.885162650e+00 3.10 -1.867962415e+00 -1.867962415e+00 3.12 -1.828895075e+00 -1.828895075e+00 3.14 -1.771348989e+00 -1.771348989e+00 3.16 -1.698616459e+00 -1.698616459e+00 3.18 -1.613852659e+00 -1.613852659e+00 3.20 -1.520035405e+00 -1.520035405e+00 3.22 -1.419927729e+00 -1.419927729e+00 3.24 -1.316045514e+00 -1.316045514e+00 3.26 -1.210632504e+00 -1.210632504e+00 3.28 -1.105644764e+00 -1.105644764e+00 3.30 -1.002745778e+00 -1.002745778e+00 3.32 -9.033117858e-01 -9.033117858e-01 3.34 -8.084446635e-01 -8.084446635e-01 3.36 -7.189873446e-01 -7.189873446e-01 3.38 -6.355361419e-01 -6.355361419e-01 3.40 -5.584473599e-01 -5.584473599e-01 3.42 -4.878427448e-01 -4.878427448e-01 3.44 -4.236248360e-01 -4.236248360e-01 3.46 -3.655115285e-01 -3.655115285e-01 3.48 -3.130899383e-01 -3.130899383e-01 3.50 -2.658831782e-01 -2.658831782e-01 3.52 -2.234214988e-01 -2.234214988e-01 3.54 -1.853061822e-01 -1.853061822e-01 3.56 -1.512515439e-01 -1.512515439e-01 3.58 -1.210916715e-01 -1.210916715e-01 3.60 -9.474768935e-02 -9.474768935e-02 3.62 -7.216784479e-02 -7.216784479e-02 3.64 -5.326688895e-02 -5.326688895e-02 3.66 -3.788808386e-02 -3.788808386e-02 3.68 -2.579089303e-02 -2.579089303e-02 3.70 -1.665371973e-02 -1.665371973e-02 3.72 -1.008498546e-02 -1.008498546e-02 3.74 -5.641974341e-03 -5.641974341e-03 3.76 -2.857727666e-03 -2.857727666e-03 3.78 -1.274735408e-03 -1.274735408e-03 3.80 -4.815757888e-04 -4.815757888e-04 3.82 -1.455561194e-04 -1.455561194e-04 3.84 -3.228709637e-05 -3.228709637e-05 3.86 -4.580933050e-06 -4.580933050e-06 3.88 -3.292778715e-07 -3.292778715e-07 3.90 -7.804639476e-09 -7.804639476e-09 3.92 -2.511210752e-11 -2.511210752e-11 3.94 -1.241810042e-15 -1.241810042e-15 3.96 -7.348174536e-25 -7.348174536e-25 3.98 -1.062858113e-58 -1.062858113e-58 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 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