# 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 = Cd2SeZn # 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 1.308691909e+04 1.308691909e+04 0.96 1.151112986e+04 1.151112986e+04 0.98 1.014919468e+04 1.014919468e+04 1.00 8.968731220e+03 8.968731220e+03 1.02 7.941690467e+03 7.941690467e+03 1.04 7.048019158e+03 7.048019158e+03 1.06 6.270834052e+03 6.270834052e+03 1.08 5.591916471e+03 5.591916471e+03 1.10 4.992725229e+03 4.992725229e+03 1.12 4.458708338e+03 4.458708338e+03 1.14 3.982023982e+03 3.982023982e+03 1.16 3.558725610e+03 3.558725610e+03 1.18 3.185170421e+03 3.185170421e+03 1.20 2.857058343e+03 2.857058343e+03 1.22 2.569348176e+03 2.569348176e+03 1.24 2.316477742e+03 2.316477742e+03 1.26 2.093049774e+03 2.093049774e+03 1.28 1.894724089e+03 1.894724089e+03 1.30 1.718431306e+03 1.718431306e+03 1.32 1.561667901e+03 1.561667901e+03 1.34 1.422014932e+03 1.422014932e+03 1.36 1.297250604e+03 1.297250604e+03 1.38 1.185548975e+03 1.185548975e+03 1.40 1.085428263e+03 1.085428263e+03 1.42 9.955015258e+02 9.955015258e+02 1.44 9.143513184e+02 9.143513184e+02 1.46 8.405619276e+02 8.405619276e+02 1.48 7.728011736e+02 7.728011736e+02 1.50 7.099585961e+02 7.099585961e+02 1.52 6.512909846e+02 6.512909846e+02 1.54 5.964355196e+02 5.964355196e+02 1.56 5.452495408e+02 5.452495408e+02 1.58 4.976434680e+02 4.976434680e+02 1.60 4.535188763e+02 4.535188763e+02 1.62 4.127614395e+02 4.127614395e+02 1.64 3.752434215e+02 3.752434215e+02 1.66 3.408259735e+02 3.408259735e+02 1.68 3.093599796e+02 3.093599796e+02 1.70 2.806867075e+02 2.806867075e+02 1.72 2.546419670e+02 2.546419670e+02 1.74 2.310652684e+02 2.310652684e+02 1.76 2.098094324e+02 2.098094324e+02 1.78 1.907432715e+02 1.907432715e+02 1.80 1.737428234e+02 1.737428234e+02 1.82 1.586763617e+02 1.586763617e+02 1.84 1.453948636e+02 1.453948636e+02 1.86 1.337301835e+02 1.337301835e+02 1.88 1.234963439e+02 1.234963439e+02 1.90 1.144930113e+02 1.144930113e+02 1.92 1.065122782e+02 1.065122782e+02 1.94 9.935004194e+01 9.935004194e+01 1.96 9.282229867e+01 9.282229867e+01 1.98 8.678327915e+01 8.678327915e+01 2.00 8.113679737e+01 8.113679737e+01 2.02 7.583138964e+01 7.583138964e+01 2.04 7.084203539e+01 7.084203539e+01 2.06 6.615377523e+01 6.615377523e+01 2.08 6.175451548e+01 6.175451548e+01 2.10 5.763296387e+01 5.763296387e+01 2.12 5.377776608e+01 5.377776608e+01 2.14 5.017679351e+01 5.017679351e+01 2.16 4.681678357e+01 4.681678357e+01 2.18 4.368332177e+01 4.368332177e+01 2.20 4.076098071e+01 4.076098071e+01 2.22 3.803356112e+01 3.803356112e+01 2.24 3.548444755e+01 3.548444755e+01 2.26 3.309707780e+01 3.309707780e+01 2.28 3.085549586e+01 3.085549586e+01 2.30 2.874491847e+01 2.874491847e+01 2.32 2.675220369e+01 2.675220369e+01 2.34 2.486609340e+01 2.486609340e+01 2.36 2.307715062e+01 2.307715062e+01 2.38 2.137745018e+01 2.137745018e+01 2.40 1.976024488e+01 1.976024488e+01 2.42 1.821984315e+01 1.821984315e+01 2.44 1.675170408e+01 1.675170408e+01 2.46 1.535253456e+01 1.535253456e+01 2.48 1.402021911e+01 1.402021911e+01 2.50 1.275355428e+01 1.275355428e+01 2.52 1.155185906e+01 1.155185906e+01 2.54 1.041460770e+01 1.041460770e+01 2.56 9.341216486e+00 9.341216486e+00 2.58 8.330985751e+00 8.330985751e+00 2.60 7.383097380e+00 7.383097380e+00 2.62 6.496607600e+00 6.496607600e+00 2.64 5.670434926e+00 5.670434926e+00 2.66 4.903348340e+00 4.903348340e+00 2.68 4.193956574e+00 4.193956574e+00 2.70 3.540698933e+00 3.540698933e+00 2.72 2.941838156e+00 2.941838156e+00 2.74 2.395455951e+00 2.395455951e+00 2.76 1.899451920e+00 1.899451920e+00 2.78 1.451546735e+00 1.451546735e+00 2.80 1.049290559e+00 1.049290559e+00 2.82 6.900777702e-01 6.900777702e-01 2.84 3.711691556e-01 3.711691556e-01 2.86 8.972264806e-02 8.972264806e-02 2.88 -1.571664950e-01 -1.571664950e-01 2.90 -3.724156998e-01 -3.724156998e-01 2.92 -5.588958215e-01 -5.588958215e-01 2.94 -7.193647090e-01 -7.193647090e-01 2.96 -8.563979241e-01 -8.563979241e-01 2.98 -9.723238901e-01 -9.723238901e-01 3.00 -1.069173934e+00 -1.069173934e+00 3.02 -1.148659949e+00 -1.148659949e+00 3.04 -1.212191535e+00 -1.212191535e+00 3.06 -1.260937492e+00 -1.260937492e+00 3.08 -1.295921471e+00 -1.295921471e+00 3.10 -1.318121756e+00 -1.318121756e+00 3.12 -1.328534249e+00 -1.328534249e+00 3.14 -1.328174973e+00 -1.328174973e+00 3.16 -1.318041815e+00 -1.318041815e+00 3.18 -1.299079299e+00 -1.299079299e+00 3.20 -1.272164539e+00 -1.272164539e+00 3.22 -1.238105704e+00 -1.238105704e+00 3.24 -1.197647025e+00 -1.197647025e+00 3.26 -1.151479833e+00 -1.151479833e+00 3.28 -1.100259273e+00 -1.100259273e+00 3.30 -1.044625096e+00 -1.044625096e+00 3.32 -9.852234003e-01 -9.852234003e-01 3.34 -9.227249767e-01 -9.227249767e-01 3.36 -8.578356177e-01 -8.578356177e-01 3.38 -7.912954826e-01 -7.912954826e-01 3.40 -7.238682342e-01 -7.238682342e-01 3.42 -6.563246336e-01 -6.563246336e-01 3.44 -5.894263473e-01 -5.894263473e-01 3.46 -5.239126254e-01 -5.239126254e-01 3.48 -4.604887248e-01 -4.604887248e-01 3.50 -3.998143332e-01 -3.998143332e-01 3.52 -3.424914633e-01 -3.424914633e-01 3.54 -2.890519565e-01 -2.890519565e-01 3.56 -2.399448975e-01 -2.399448975e-01 3.58 -1.955243343e-01 -1.955243343e-01 3.60 -1.560378170e-01 -1.560378170e-01 3.62 -1.216164084e-01 -1.216164084e-01 3.64 -9.226700213e-02 -9.226700213e-02 3.66 -6.786799563e-02 -6.786799563e-02 3.68 -4.816960846e-02 -4.816960846e-02 3.70 -3.280035073e-02 -3.280035073e-02 3.72 -2.128124391e-02 -2.128124391e-02 3.74 -1.304918664e-02 -1.304918664e-02 3.76 -7.490069371e-03 -7.490069371e-03 3.78 -3.980555508e-03 -3.980555508e-03 3.80 -1.934690131e-03 -1.934690131e-03 3.82 -8.480329018e-04 -8.480329018e-04 3.84 -3.292787664e-04 -3.292787664e-04 3.86 -1.100204618e-04 -1.100204618e-04 3.88 -2.996681837e-05 -2.996681837e-05 3.90 -6.043633215e-06 -6.043633215e-06 3.92 -7.741559292e-07 -7.741559292e-07 3.94 -4.941920282e-08 -4.941920282e-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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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