# 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 = SSe2Te # 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 1.919969100e+04 1.919969100e+04 0.96 1.686845231e+04 1.686845231e+04 0.98 1.485861726e+04 1.485861726e+04 1.00 1.312688717e+04 1.312688717e+04 1.02 1.163564102e+04 1.163564102e+04 1.04 1.034943384e+04 1.034943384e+04 1.06 9.233326459e+03 9.233326459e+03 1.08 8.255509980e+03 8.255509980e+03 1.10 7.391446118e+03 7.391446118e+03 1.12 6.623841399e+03 6.623841399e+03 1.14 5.940306494e+03 5.940306494e+03 1.16 5.331186729e+03 5.331186729e+03 1.18 4.787807788e+03 4.787807788e+03 1.20 4.302308305e+03 4.302308305e+03 1.22 3.867795717e+03 3.867795717e+03 1.24 3.478524544e+03 3.478524544e+03 1.26 3.129977844e+03 3.129977844e+03 1.28 2.818637158e+03 2.818637158e+03 1.30 2.541684997e+03 2.541684997e+03 1.32 2.296530012e+03 2.296530012e+03 1.34 2.080372448e+03 2.080372448e+03 1.36 1.890152416e+03 1.890152416e+03 1.38 1.722646381e+03 1.722646381e+03 1.40 1.574609956e+03 1.574609956e+03 1.42 1.442937624e+03 1.442937624e+03 1.44 1.324820134e+03 1.324820134e+03 1.46 1.217898384e+03 1.217898384e+03 1.48 1.120301008e+03 1.120301008e+03 1.50 1.030539982e+03 1.030539982e+03 1.52 9.474361858e+02 9.474361858e+02 1.54 8.701514497e+02 8.701514497e+02 1.56 7.981763926e+02 7.981763926e+02 1.58 7.312227555e+02 7.312227555e+02 1.60 6.691131634e+02 6.691131634e+02 1.62 6.117006500e+02 6.117006500e+02 1.64 5.588263530e+02 5.588263530e+02 1.66 5.103126737e+02 5.103126737e+02 1.68 4.659685447e+02 4.659685447e+02 1.70 4.255951998e+02 4.255951998e+02 1.72 3.889886594e+02 3.889886594e+02 1.74 3.559374829e+02 3.559374829e+02 1.76 3.262181178e+02 3.262181178e+02 1.78 2.995903163e+02 2.995903163e+02 1.80 2.757930809e+02 2.757930809e+02 1.82 2.545442816e+02 2.545442816e+02 1.84 2.355468992e+02 2.355468992e+02 1.86 2.185005419e+02 2.185005419e+02 1.88 2.031152762e+02 2.031152762e+02 1.90 1.891244490e+02 1.891244490e+02 1.92 1.762935444e+02 1.762935444e+02 1.94 1.644244391e+02 1.644244391e+02 1.96 1.533559677e+02 1.533559677e+02 1.98 1.429631177e+02 1.429631177e+02 2.00 1.331583306e+02 1.331583306e+02 2.02 1.238907067e+02 1.238907067e+02 2.04 1.151359932e+02 1.151359932e+02 2.06 1.068819353e+02 1.068819353e+02 2.08 9.911879655e+01 9.911879655e+01 2.10 9.183618852e+01 9.183618852e+01 2.12 8.502234201e+01 8.502234201e+01 2.14 7.866391833e+01 7.866391833e+01 2.16 7.274587863e+01 7.274587863e+01 2.18 6.725137249e+01 6.725137249e+01 2.20 6.216166084e+01 6.216166084e+01 2.22 5.745608971e+01 5.745608971e+01 2.24 5.311213716e+01 5.311213716e+01 2.26 4.910556177e+01 4.910556177e+01 2.28 4.541068533e+01 4.541068533e+01 2.30 4.200084145e+01 4.200084145e+01 2.32 3.884900870e+01 3.884900870e+01 2.34 3.592861554e+01 3.592861554e+01 2.36 3.321444923e+01 3.321444923e+01 2.38 3.068353022e+01 3.068353022e+01 2.40 2.831576088e+01 2.831576088e+01 2.42 2.609418583e+01 2.609418583e+01 2.44 2.400485818e+01 2.400485818e+01 2.46 2.203650525e+01 2.203650525e+01 2.48 2.018017458e+01 2.018017458e+01 2.50 1.842878224e+01 1.842878224e+01 2.52 1.677646914e+01 1.677646914e+01 2.54 1.521798682e+01 1.521798682e+01 2.56 1.374840141e+01 1.374840141e+01 2.58 1.236312842e+01 1.236312842e+01 2.60 1.105808403e+01 1.105808403e+01 2.62 9.829803446e+00 9.829803446e+00 2.64 8.675492929e+00 8.675492929e+00 2.66 7.592996327e+00 7.592996327e+00 2.68 6.580664052e+00 6.580664052e+00 2.70 5.637145591e+00 5.637145591e+00 2.72 4.761167590e+00 4.761167590e+00 2.74 3.951374711e+00 3.951374711e+00 2.76 3.206267940e+00 3.206267940e+00 2.78 2.524203440e+00 2.524203440e+00 2.80 1.903398178e+00 1.903398178e+00 2.82 1.341928460e+00 1.341928460e+00 2.84 8.377276392e-01 8.377276392e-01 2.86 3.885856582e-01 3.885856582e-01 2.88 -7.849131973e-03 -7.849131973e-03 2.90 -3.540655371e-01 -3.540655371e-01 2.92 -6.526821467e-01 -6.526821467e-01 2.94 -9.064366998e-01 -9.064366998e-01 2.96 -1.118171897e+00 -1.118171897e+00 2.98 -1.290817418e+00 -1.290817418e+00 3.00 -1.427368004e+00 -1.427368004e+00 3.02 -1.530857603e+00 -1.530857603e+00 3.04 -1.604329793e+00 -1.604329793e+00 3.06 -1.650805000e+00 -1.650805000e+00 3.08 -1.673245429e+00 -1.673245429e+00 3.10 -1.674519120e+00 -1.674519120e+00 3.12 -1.657365172e+00 -1.657365172e+00 3.14 -1.624362818e+00 -1.624362818e+00 3.16 -1.577907574e+00 -1.577907574e+00 3.18 -1.520197971e+00 -1.520197971e+00 3.20 -1.453235860e+00 -1.453235860e+00 3.22 -1.378841714e+00 -1.378841714e+00 3.24 -1.298683079e+00 -1.298683079e+00 3.26 -1.214309760e+00 -1.214309760e+00 3.28 -1.127184577e+00 -1.127184577e+00 3.30 -1.038696964e+00 -1.038696964e+00 3.32 -9.501521609e-01 -9.501521609e-01 3.34 -8.627416468e-01 -8.627416468e-01 3.36 -7.775120138e-01 -7.775120138e-01 3.38 -6.953469715e-01 -6.953469715e-01 3.40 -6.169636237e-01 -6.169636237e-01 3.42 -5.429177869e-01 -5.429177869e-01 3.44 -4.736157778e-01 -4.736157778e-01 3.46 -4.093317746e-01 -4.093317746e-01 3.48 -3.502292529e-01 -3.502292529e-01 3.50 -2.963838636e-01 -2.963838636e-01 3.52 -2.478040648e-01 -2.478040648e-01 3.54 -2.044453979e-01 -2.044453979e-01 3.56 -1.662152649e-01 -1.662152649e-01 3.58 -1.329680247e-01 -1.329680247e-01 3.60 -1.044947443e-01 -1.044947443e-01 3.62 -8.051568115e-02 -8.051568115e-02 3.64 -6.068302702e-02 -6.068302702e-02 3.66 -4.459570987e-02 -4.459570987e-02 3.68 -3.182177134e-02 -3.182177134e-02 3.70 -2.192187334e-02 -2.192187334e-02 3.72 -1.446851678e-02 -1.446851678e-02 3.74 -9.057131021e-03 -9.057131021e-03 3.76 -5.308271653e-03 -5.308271653e-03 3.78 -2.865097461e-03 -2.865097461e-03 3.80 -1.394014972e-03 -1.394014972e-03 3.82 -5.941416810e-04 -5.941416810e-04 3.84 -2.131260930e-04 -2.131260930e-04 3.86 -6.072522206e-05 -6.072522206e-05 3.88 -1.259705733e-05 -1.259705733e-05 3.90 -1.658403533e-06 -1.658403533e-06 3.92 -1.100920574e-07 -1.100920574e-07 3.94 -2.429766757e-09 -2.429766757e-09 3.96 -7.693449918e-12 -7.693449918e-12 3.98 -4.789159344e-16 -4.789159344e-16 4.00 -1.307674533e-24 -1.307674533e-24 4.02 -1.404561185e-51 -1.404561185e-51 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