# 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 = Hg2SeZn # 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 1.044016655e+04 1.044016655e+04 0.96 9.186539730e+03 9.186539730e+03 0.98 8.108330710e+03 8.108330710e+03 1.00 7.179269608e+03 7.179269608e+03 1.02 6.375350185e+03 6.375350185e+03 1.04 5.675003545e+03 5.675003545e+03 1.06 5.059344117e+03 5.059344117e+03 1.08 4.512913023e+03 4.512913023e+03 1.10 4.025681249e+03 4.025681249e+03 1.12 3.592092427e+03 3.592092427e+03 1.14 3.207975520e+03 3.207975520e+03 1.16 2.868830923e+03 2.868830923e+03 1.18 2.569599256e+03 2.569599256e+03 1.20 2.305034641e+03 2.305034641e+03 1.22 2.070389427e+03 2.070389427e+03 1.24 1.862101754e+03 1.862101754e+03 1.26 1.677762857e+03 1.677762857e+03 1.28 1.515364903e+03 1.515364903e+03 1.30 1.372749256e+03 1.372749256e+03 1.32 1.247530855e+03 1.247530855e+03 1.34 1.137243919e+03 1.137243919e+03 1.36 1.039546620e+03 1.039546620e+03 1.38 9.523761665e+02 9.523761665e+02 1.40 8.739420095e+02 8.739420095e+02 1.42 8.026206311e+02 8.026206311e+02 1.44 7.369934503e+02 7.369934503e+02 1.46 6.760104965e+02 6.760104965e+02 1.48 6.190694148e+02 6.190694148e+02 1.50 5.659134836e+02 5.659134836e+02 1.52 5.164381327e+02 5.164381327e+02 1.54 4.705645949e+02 4.705645949e+02 1.56 4.282018398e+02 4.282018398e+02 1.58 3.892426333e+02 3.892426333e+02 1.60 3.535647466e+02 3.535647466e+02 1.62 3.210327916e+02 3.210327916e+02 1.64 2.914995891e+02 2.914995891e+02 1.66 2.648059656e+02 2.648059656e+02 1.68 2.407791741e+02 2.407791741e+02 1.70 2.192326828e+02 2.192326828e+02 1.72 1.999705097e+02 1.999705097e+02 1.74 1.827955040e+02 1.827955040e+02 1.76 1.675174058e+02 1.675174058e+02 1.78 1.539552993e+02 1.539552993e+02 1.80 1.419311598e+02 1.419311598e+02 1.82 1.312596967e+02 1.312596967e+02 1.84 1.217456121e+02 1.217456121e+02 1.86 1.131910883e+02 1.131910883e+02 1.88 1.054094208e+02 1.054094208e+02 1.90 9.824139546e+01 9.824139546e+01 1.92 9.156883649e+01 9.156883649e+01 1.94 8.531757860e+01 8.531757860e+01 1.96 7.944680021e+01 7.944680021e+01 1.98 7.393284320e+01 7.393284320e+01 2.00 6.875822868e+01 6.875822868e+01 2.02 6.390708108e+01 6.390708108e+01 2.04 5.936415360e+01 5.936415360e+01 2.06 5.511502151e+01 5.511502151e+01 2.08 5.114614481e+01 5.114614481e+01 2.10 4.744454887e+01 4.744454887e+01 2.12 4.399721476e+01 4.399721476e+01 2.14 4.079050861e+01 4.079050861e+01 2.16 3.780994941e+01 3.780994941e+01 2.18 3.504028850e+01 3.504028850e+01 2.20 3.246573184e+01 3.246573184e+01 2.22 3.007025414e+01 3.007025414e+01 2.24 2.783800235e+01 2.783800235e+01 2.26 2.575376195e+01 2.575376195e+01 2.28 2.380342575e+01 2.380342575e+01 2.30 2.197437197e+01 2.197437197e+01 2.32 2.025564523e+01 2.025564523e+01 2.34 1.863787456e+01 1.863787456e+01 2.36 1.711297490e+01 1.711297490e+01 2.38 1.567381980e+01 1.567381980e+01 2.40 1.431410307e+01 1.431410307e+01 2.42 1.302843142e+01 1.302843142e+01 2.44 1.181248275e+01 1.181248275e+01 2.46 1.066306599e+01 1.066306599e+01 2.48 9.578017784e+00 9.578017784e+00 2.50 8.555935570e+00 8.555935570e+00 2.52 7.595817904e+00 7.595817904e+00 2.54 6.696744829e+00 6.696744829e+00 2.56 5.857706984e+00 5.857706984e+00 2.58 5.077570575e+00 5.077570575e+00 2.60 4.355082845e+00 4.355082845e+00 2.62 3.688868314e+00 3.688868314e+00 2.64 3.077420089e+00 3.077420089e+00 2.66 2.519091967e+00 2.519091967e+00 2.68 2.012092270e+00 2.012092270e+00 2.70 1.554479829e+00 1.554479829e+00 2.72 1.144162621e+00 1.144162621e+00 2.74 7.788996312e-01 7.788996312e-01 2.76 4.563065377e-01 4.563065377e-01 2.78 1.738659319e-01 1.738659319e-01 2.80 -7.105723160e-02 -7.105723160e-02 2.82 -2.811942362e-01 -2.811942362e-01 2.84 -4.593446196e-01 -4.593446196e-01 2.86 -6.083411525e-01 -6.083411525e-01 2.88 -7.310076773e-01 -7.310076773e-01 2.90 -8.301103158e-01 -8.301103158e-01 2.92 -9.083035077e-01 -9.083035077e-01 2.94 -9.680737438e-01 -9.680737438e-01 2.96 -1.011685721e+00 -1.011685721e+00 2.98 -1.041137844e+00 -1.041137844e+00 3.00 -1.058136004e+00 -1.058136004e+00 3.02 -1.064095278e+00 -1.064095278e+00 3.04 -1.060176809e+00 -1.060176809e+00 3.06 -1.047359370e+00 -1.047359370e+00 3.08 -1.026531474e+00 -1.026531474e+00 3.10 -9.985743868e-01 -9.985743868e-01 3.12 -9.644018498e-01 -9.644018498e-01 3.14 -9.249434234e-01 -9.249434234e-01 3.16 -8.810982555e-01 -8.810982555e-01 3.18 -8.337015885e-01 -8.337015885e-01 3.20 -7.835165274e-01 -7.835165274e-01 3.22 -7.312388508e-01 -7.312388508e-01 3.24 -6.775072621e-01 -6.775072621e-01 3.26 -6.229172010e-01 -6.229172010e-01 3.28 -5.680363098e-01 -5.680363098e-01 3.30 -5.134186222e-01 -5.134186222e-01 3.32 -4.596138969e-01 -4.596138969e-01 3.34 -4.071689161e-01 -4.071689161e-01 3.36 -3.566195129e-01 -3.566195129e-01 3.38 -3.084753047e-01 -3.084753047e-01 3.40 -2.632018439e-01 -2.632018439e-01 3.42 -2.212047988e-01 -2.212047988e-01 3.44 -1.828177021e-01 -1.828177021e-01 3.46 -1.482921485e-01 -1.482921485e-01 3.48 -1.177894425e-01 -1.177894425e-01 3.50 -9.137383365e-02 -9.137383365e-02 3.52 -6.900802472e-02 -6.900802472e-02 3.54 -5.055185381e-02 -5.055185381e-02 3.56 -3.576520965e-02 -3.576520965e-02 3.58 -2.431633934e-02 -2.431633934e-02 3.60 -1.579664040e-02 -1.579664040e-02 3.62 -9.742635270e-03 -9.742635270e-03 3.64 -5.664900098e-03 -5.664900098e-03 3.66 -3.082093079e-03 -3.082093079e-03 3.68 -1.555965817e-03 -1.555965817e-03 3.70 -7.209615249e-04 -7.209615249e-04 3.72 -3.011459578e-04 -3.011459578e-04 3.74 -1.097226995e-04 -1.097226995e-04 3.76 -3.294494915e-05 -3.294494915e-05 3.78 -7.467949463e-06 -7.467949463e-06 3.80 -1.123766478e-06 -1.123766478e-06 3.82 -9.175951957e-08 -9.175951957e-08 3.84 -2.856713907e-09 -2.856713907e-09 3.86 -1.703315319e-11 -1.703315319e-11 3.88 -4.132732387e-15 -4.132732387e-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