# 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 = Cd2SSe # 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 1.674726766e+04 1.674726766e+04 0.96 1.469868944e+04 1.469868944e+04 0.98 1.293160521e+04 1.293160521e+04 1.00 1.141305210e+04 1.141305210e+04 1.02 1.011134059e+04 1.011134059e+04 1.04 8.992340087e+03 8.992340087e+03 1.06 8.019570303e+03 8.019570303e+03 1.08 7.161420582e+03 7.161420582e+03 1.10 6.397415725e+03 6.397415725e+03 1.12 5.715744176e+03 5.715744176e+03 1.14 5.109641340e+03 5.109641340e+03 1.16 4.573570437e+03 4.573570437e+03 1.18 4.100579221e+03 4.100579221e+03 1.20 3.682467190e+03 3.682467190e+03 1.22 3.311141933e+03 3.311141933e+03 1.24 2.980203686e+03 2.980203686e+03 1.26 2.685150401e+03 2.685150401e+03 1.28 2.422692606e+03 2.422692606e+03 1.30 2.190317054e+03 2.190317054e+03 1.32 1.985567209e+03 1.985567209e+03 1.34 1.805695052e+03 1.805695052e+03 1.36 1.647719990e+03 1.647719990e+03 1.38 1.508527364e+03 1.508527364e+03 1.40 1.384956930e+03 1.384956930e+03 1.42 1.273943704e+03 1.273943704e+03 1.44 1.172762504e+03 1.172762504e+03 1.46 1.079310863e+03 1.079310863e+03 1.48 9.922000727e+02 9.922000727e+02 1.50 9.105808299e+02 9.105808299e+02 1.52 8.339775282e+02 8.339775282e+02 1.54 7.621958369e+02 7.621958369e+02 1.56 6.951600869e+02 6.951600869e+02 1.58 6.327948596e+02 6.327948596e+02 1.60 5.750028741e+02 5.750028740e+02 1.62 5.216683705e+02 5.216683705e+02 1.64 4.726628964e+02 4.726628964e+02 1.66 4.278507745e+02 4.278507745e+02 1.68 3.870916452e+02 3.870916452e+02 1.70 3.502384291e+02 3.502384291e+02 1.72 3.171313963e+02 3.171313963e+02 1.74 2.875902863e+02 2.875902863e+02 1.76 2.614071175e+02 2.614071175e+02 1.78 2.383418036e+02 2.383418036e+02 1.80 2.181200749e+02 2.181200749e+02 1.82 2.004346467e+02 2.004346467e+02 1.84 1.849514552e+02 1.849514552e+02 1.86 1.713214456e+02 1.713214456e+02 1.88 1.591992599e+02 1.591992599e+02 1.90 1.482703755e+02 1.482703755e+02 1.92 1.382796860e+02 1.382796860e+02 1.94 1.290413919e+02 1.290413919e+02 1.96 1.204235700e+02 1.204235700e+02 1.98 1.123342489e+02 1.123342489e+02 2.00 1.047200227e+02 1.047200227e+02 2.02 9.755761533e+01 9.755761533e+01 2.04 9.083654534e+01 9.083654534e+01 2.06 8.454745289e+01 8.454745289e+01 2.08 7.867934001e+01 7.867934001e+01 2.10 7.321927748e+01 7.321927748e+01 2.12 6.815224072e+01 6.815224072e+01 2.14 6.346098082e+01 6.346098082e+01 2.16 5.912595336e+01 5.912595336e+01 2.18 5.512533183e+01 5.512533183e+01 2.20 5.143513877e+01 5.143513877e+01 2.22 4.802953122e+01 4.802953122e+01 2.24 4.488127515e+01 4.488127515e+01 2.26 4.196243034e+01 4.196243034e+01 2.28 3.924523735e+01 3.924523735e+01 2.30 3.670314813e+01 3.670314813e+01 2.32 3.431187678e+01 3.431187678e+01 2.34 3.205029040e+01 3.205029040e+01 2.36 2.990095550e+01 2.990095550e+01 2.38 2.785024213e+01 2.785024213e+01 2.40 2.588804030e+01 2.588804030e+01 2.42 2.400723443e+01 2.400723443e+01 2.44 2.220305131e+01 2.220305131e+01 2.46 2.047241603e+01 2.047241603e+01 2.48 1.881349306e+01 1.881349306e+01 2.50 1.722536418e+01 1.722536418e+01 2.52 1.570766389e+01 1.570766389e+01 2.54 1.426021906e+01 1.426021906e+01 2.56 1.288283471e+01 1.288283471e+01 2.58 1.157523504e+01 1.157523504e+01 2.60 1.033706135e+01 1.033706135e+01 2.62 9.167865705e+00 9.167865705e+00 2.64 8.067099282e+00 8.067099282e+00 2.66 7.034100407e+00 7.034100407e+00 2.68 6.068082829e+00 6.068082829e+00 2.70 5.168124440e+00 5.168124440e+00 2.72 4.333156629e+00 4.333156629e+00 2.74 3.561954508e+00 3.561954508e+00 2.76 2.853128287e+00 2.853128287e+00 2.78 2.205116125e+00 2.205116125e+00 2.80 1.616178837e+00 1.616178837e+00 2.82 1.084396865e+00 1.084396865e+00 2.84 6.076700135e-01 6.076700135e-01 2.86 1.837204416e-01 1.837204416e-01 2.88 -1.899005169e-01 -1.899005169e-01 2.90 -5.158011408e-01 -5.158011408e-01 2.92 -7.967331575e-01 -7.967331575e-01 2.94 -1.035570121e+00 -1.035570121e+00 2.96 -1.235279947e+00 -1.235279947e+00 2.98 -1.398891437e+00 -1.398891437e+00 3.00 -1.529454941e+00 -1.529454941e+00 3.02 -1.629997826e+00 -1.629997826e+00 3.04 -1.703476098e+00 -1.703476098e+00 3.06 -1.752724440e+00 -1.752724440e+00 3.08 -1.780408027e+00 -1.780408027e+00 3.10 -1.788980675e+00 -1.788980675e+00 3.12 -1.780654871e+00 -1.780654871e+00 3.14 -1.757389600e+00 -1.757389600e+00 3.16 -1.720900844e+00 -1.720900844e+00 3.18 -1.672696437e+00 -1.672696437e+00 3.20 -1.614131138e+00 -1.614131138e+00 3.22 -1.546470397e+00 -1.546470397e+00 3.24 -1.470945834e+00 -1.470945834e+00 3.26 -1.388787747e+00 -1.388787747e+00 3.28 -1.301233097e+00 -1.301233097e+00 3.30 -1.209523124e+00 -1.209523124e+00 3.32 -1.114905320e+00 -1.114905320e+00 3.34 -1.018638815e+00 -1.018638815e+00 3.36 -9.219928714e-01 -9.219928714e-01 3.38 -8.262326212e-01 -8.262326212e-01 3.40 -7.325928057e-01 -7.325928057e-01 3.42 -6.422448596e-01 -6.422448596e-01 3.44 -5.562637432e-01 -5.562637432e-01 3.46 -4.755978770e-01 -4.755978770e-01 3.48 -4.010419444e-01 -4.010419444e-01 3.50 -3.332120439e-01 -3.332120439e-01 3.52 -2.725242995e-01 -2.725242995e-01 3.54 -2.191791620e-01 -2.191791620e-01 3.56 -1.731542679e-01 -1.731542679e-01 3.58 -1.342091601e-01 -1.342091601e-01 3.60 -1.019051912e-01 -1.019051912e-01 3.62 -7.564296847e-02 -7.564296847e-02 3.64 -5.471697719e-02 -5.471697719e-02 3.66 -3.838185627e-02 -3.838185627e-02 3.68 -2.591762856e-02 -2.591762856e-02 3.70 -1.667530974e-02 -1.667530974e-02 3.72 -1.008694969e-02 -1.008694969e-02 3.74 -5.642038037e-03 -5.642038037e-03 3.76 -2.857727982e-03 -2.857727982e-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 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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