# 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 = CdTeZn2 # 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 1.369387780e+04 1.369387780e+04 0.96 1.201839865e+04 1.201839865e+04 0.98 1.057082979e+04 1.057082979e+04 1.00 9.319538107e+03 9.319538107e+03 1.02 8.239477477e+03 8.239477477e+03 1.04 7.308160650e+03 7.308160650e+03 1.06 6.503750549e+03 6.503750549e+03 1.08 5.805601402e+03 5.805601402e+03 1.10 5.196018045e+03 5.196018045e+03 1.12 4.661400026e+03 4.661400026e+03 1.14 4.190895007e+03 4.190895007e+03 1.16 3.775159996e+03 3.775159996e+03 1.18 3.406269016e+03 3.406269016e+03 1.20 3.077570060e+03 3.077570060e+03 1.22 2.783124444e+03 2.783124444e+03 1.24 2.517675084e+03 2.517675084e+03 1.26 2.277160517e+03 2.277160517e+03 1.28 2.058817979e+03 2.058817979e+03 1.30 1.860741845e+03 1.860741845e+03 1.32 1.681592614e+03 1.681592614e+03 1.34 1.520347857e+03 1.520347857e+03 1.36 1.376085408e+03 1.376085408e+03 1.38 1.247793927e+03 1.247793927e+03 1.40 1.134231169e+03 1.134231169e+03 1.42 1.033875571e+03 1.033875571e+03 1.44 9.449728009e+02 9.449728009e+02 1.46 8.656683926e+02 8.656683926e+02 1.48 7.942060565e+02 7.942060565e+02 1.50 7.291028713e+02 7.291028713e+02 1.52 6.691936559e+02 6.691936559e+02 1.54 6.136045628e+02 6.136045628e+02 1.56 5.617646120e+02 5.617646120e+02 1.58 5.133730347e+02 5.133730347e+02 1.60 4.682913839e+02 4.682913839e+02 1.62 4.264338079e+02 4.264338079e+02 1.64 3.877192750e+02 3.877192750e+02 1.66 3.520675930e+02 3.520675930e+02 1.68 3.194006289e+02 3.194006289e+02 1.70 2.896399159e+02 2.896399159e+02 1.72 2.627007902e+02 2.627007902e+02 1.74 2.384850550e+02 2.384850550e+02 1.76 2.168749173e+02 2.168749173e+02 1.78 1.977298734e+02 1.977298734e+02 1.80 1.808855098e+02 1.808855098e+02 1.82 1.661531720e+02 1.661531720e+02 1.84 1.533208073e+02 1.533208073e+02 1.86 1.421558826e+02 1.421558826e+02 1.88 1.324115868e+02 1.324115868e+02 1.90 1.238374825e+02 1.238374825e+02 1.92 1.161948181e+02 1.161948181e+02 1.94 1.092741279e+02 1.092741279e+02 1.96 1.029086353e+02 1.029086353e+02 1.98 9.697578066e+01 9.697578066e+01 2.00 9.138852071e+01 9.138852071e+01 2.02 8.608810250e+01 8.608810250e+01 2.04 8.103972519e+01 8.103972519e+01 2.06 7.622461874e+01 7.622461874e+01 2.08 7.163170472e+01 7.163170472e+01 2.10 6.725339158e+01 6.725339158e+01 2.12 6.308375901e+01 6.308375901e+01 2.14 5.911723083e+01 5.911723083e+01 2.16 5.534787983e+01 5.534787983e+01 2.18 5.176929682e+01 5.176929682e+01 2.20 4.837463787e+01 4.837463787e+01 2.22 4.515671997e+01 4.515671997e+01 2.24 4.210817075e+01 4.210817075e+01 2.26 3.922163213e+01 3.922163213e+01 2.28 3.649000014e+01 3.649000014e+01 2.30 3.390666125e+01 3.390666125e+01 2.32 3.146566276e+01 3.146566276e+01 2.34 2.916174518e+01 2.916174518e+01 2.36 2.699019066e+01 2.699019066e+01 2.38 2.494651779e+01 2.494651779e+01 2.40 2.302614782e+01 2.302614782e+01 2.42 2.122418810e+01 2.122418810e+01 2.44 1.953537026e+01 1.953537026e+01 2.46 1.795407017e+01 1.795407017e+01 2.48 1.647435445e+01 1.647435445e+01 2.50 1.509004981e+01 1.509004981e+01 2.52 1.379484083e+01 1.379484083e+01 2.54 1.258239844e+01 1.258239844e+01 2.56 1.144653798e+01 1.144653798e+01 2.58 1.038139933e+01 1.038139933e+01 2.60 9.381632717e+00 9.381632717e+00 2.62 8.442562638e+00 8.442562638e+00 2.64 7.560292924e+00 7.560292924e+00 2.66 6.731714891e+00 6.731714891e+00 2.68 5.954396832e+00 5.954396832e+00 2.70 5.226373025e+00 5.226373025e+00 2.72 4.545902140e+00 4.545902140e+00 2.74 3.911289920e+00 3.911289920e+00 2.76 3.320827507e+00 3.320827507e+00 2.78 2.772811365e+00 2.772811365e+00 2.80 2.265581285e+00 2.265581285e+00 2.82 1.797552818e+00 1.797552818e+00 2.84 1.367244787e+00 1.367244787e+00 2.86 9.732997605e-01 9.732997605e-01 2.88 6.144926368e-01 6.144926368e-01 2.90 2.897224852e-01 2.897224852e-01 2.92 -2.015384220e-03 -2.015384220e-03 2.94 -2.616760545e-01 -2.616760545e-01 2.96 -4.902230621e-01 -4.902230621e-01 2.98 -6.886843895e-01 -6.886843895e-01 3.00 -8.581910711e-01 -8.581910711e-01 3.02 -9.999901092e-01 -9.999901092e-01 3.04 -1.115437371e+00 -1.115437371e+00 3.06 -1.205985078e+00 -1.205985078e+00 3.08 -1.273172858e+00 -1.273172858e+00 3.10 -1.318621003e+00 -1.318621003e+00 3.12 -1.344022695e+00 -1.344022695e+00 3.14 -1.351134177e+00 -1.351134177e+00 3.16 -1.341762675e+00 -1.341762675e+00 3.18 -1.317752026e+00 -1.317752026e+00 3.20 -1.280965992e+00 -1.280965992e+00 3.22 -1.233269382e+00 -1.233269382e+00 3.24 -1.176507185e+00 -1.176507185e+00 3.26 -1.112482089e+00 -1.112482089e+00 3.28 -1.042930916e+00 -1.042930916e+00 3.30 -9.695007378e-01 -9.695007378e-01 3.32 -8.937256560e-01 -8.937256560e-01 3.34 -8.170054760e-01 -8.170054760e-01 3.36 -7.405877584e-01 -7.405877584e-01 3.38 -6.655549044e-01 -6.655549044e-01 3.40 -5.928179921e-01 -5.928179921e-01 3.42 -5.231188903e-01 -5.231188903e-01 3.44 -4.570415704e-01 -4.570415704e-01 3.46 -3.950323306e-01 -3.950323306e-01 3.48 -3.374267007e-01 -3.374267007e-01 3.50 -2.844782287e-01 -2.844782287e-01 3.52 -2.363818657e-01 -2.363818657e-01 3.54 -1.932838527e-01 -1.932838527e-01 3.56 -1.552731246e-01 -1.552731246e-01 3.58 -1.223573083e-01 -1.223573083e-01 3.60 -9.443581902e-02 -9.443581902e-02 3.62 -7.128468488e-02 -7.128468488e-02 3.64 -5.255888725e-02 -5.255888725e-02 3.66 -3.780892559e-02 -3.780892559e-02 3.68 -2.650803628e-02 -2.650803628e-02 3.70 -1.808838129e-02 -1.808838129e-02 3.72 -1.198322405e-02 -1.198322405e-02 3.74 -7.669066113e-03 -7.669066113e-03 3.76 -4.698881095e-03 -4.698881095e-03 3.78 -2.717358300e-03 -2.717358300e-03 3.80 -1.454249470e-03 -1.454249470e-03 3.82 -7.025227260e-04 -7.025227260e-04 3.84 -2.969921162e-04 -2.969921162e-04 3.86 -1.054395308e-04 -1.054395308e-04 3.88 -2.963754051e-05 -2.963754051e-05 3.90 -6.035828575e-06 -6.035828575e-06 3.92 -7.741308171e-07 -7.741308171e-07 3.94 -4.941920158e-08 -4.941920158e-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 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