# 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 = CdSeTe2 # 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 2.353845497e+04 2.353845497e+04 0.96 2.070645059e+04 2.070645059e+04 0.98 1.825460616e+04 1.825460616e+04 1.00 1.612539185e+04 1.612539185e+04 1.02 1.427554548e+04 1.427554548e+04 1.04 1.267085130e+04 1.267085130e+04 1.06 1.127907725e+04 1.127907725e+04 1.08 1.006853751e+04 1.006853751e+04 1.10 9.009969340e+03 9.009969340e+03 1.12 8.078925393e+03 8.078925393e+03 1.14 7.256532968e+03 7.256532968e+03 1.16 6.527587746e+03 6.527587746e+03 1.18 5.879139895e+03 5.879139895e+03 1.20 5.300877683e+03 5.300877683e+03 1.22 4.784696468e+03 4.784696468e+03 1.24 4.323194459e+03 4.323194459e+03 1.26 3.909468785e+03 3.909468785e+03 1.28 3.537731765e+03 3.537731765e+03 1.30 3.203397314e+03 3.203397314e+03 1.32 2.902592437e+03 2.902592437e+03 1.34 2.631992475e+03 2.631992475e+03 1.36 2.389023414e+03 2.389023414e+03 1.38 2.171655066e+03 2.171655066e+03 1.40 1.977841182e+03 1.977841182e+03 1.42 1.805256888e+03 1.805256888e+03 1.44 1.651369268e+03 1.651369268e+03 1.46 1.513621881e+03 1.513621881e+03 1.48 1.389652112e+03 1.389652112e+03 1.50 1.277437198e+03 1.277437198e+03 1.52 1.175298755e+03 1.175298755e+03 1.54 1.081877452e+03 1.081877452e+03 1.56 9.960918086e+02 9.960918086e+02 1.58 9.170406367e+02 9.170406367e+02 1.60 8.439595602e+02 8.439595602e+02 1.62 7.762380835e+02 7.762380835e+02 1.64 7.134090343e+02 7.134090343e+02 1.66 6.551018836e+02 6.551018836e+02 1.68 6.010247585e+02 6.010247585e+02 1.70 5.509667923e+02 5.509667923e+02 1.72 5.047782773e+02 5.047782773e+02 1.74 4.623312434e+02 4.623312434e+02 1.76 4.234886658e+02 4.234886658e+02 1.78 3.880931226e+02 3.880931226e+02 1.80 3.559635301e+02 3.559635301e+02 1.82 3.268951098e+02 3.268951098e+02 1.84 3.006636425e+02 3.006636425e+02 1.86 2.770334861e+02 2.770334861e+02 1.88 2.557675427e+02 2.557675427e+02 1.90 2.366359358e+02 2.366359358e+02 1.92 2.194191328e+02 2.194191328e+02 1.94 2.039048745e+02 2.039048745e+02 1.96 1.898864108e+02 1.898864108e+02 1.98 1.771689608e+02 1.771689608e+02 2.00 1.655788703e+02 1.655788703e+02 2.02 1.549663826e+02 1.549663826e+02 2.04 1.451999834e+02 1.451999834e+02 2.06 1.361597885e+02 1.361597885e+02 2.08 1.277388486e+02 1.277388486e+02 2.10 1.198499531e+02 1.198499531e+02 2.12 1.124298384e+02 1.124298384e+02 2.14 1.054366232e+02 1.054366232e+02 2.16 9.884203069e+01 9.884203069e+01 2.18 9.262444806e+01 9.262444806e+01 2.20 8.676585411e+01 8.676585411e+01 2.22 8.125019838e+01 8.125019838e+01 2.24 7.606189104e+01 7.606189104e+01 2.26 7.118500185e+01 7.118500185e+01 2.28 6.660328295e+01 6.660328295e+01 2.30 6.230050764e+01 6.230050764e+01 2.32 5.826079419e+01 5.826079419e+01 2.34 5.446880494e+01 5.446880494e+01 2.36 5.090976547e+01 5.090976547e+01 2.38 4.756933357e+01 4.756933357e+01 2.40 4.443345728e+01 4.443345728e+01 2.42 4.148837874e+01 4.148837874e+01 2.44 3.872079304e+01 3.872079304e+01 2.46 3.611801271e+01 3.611801271e+01 2.48 3.366800478e+01 3.366800478e+01 2.50 3.135927488e+01 3.135927488e+01 2.52 2.918067425e+01 2.918067425e+01 2.54 2.712128649e+01 2.712128649e+01 2.56 2.517053502e+01 2.517053502e+01 2.58 2.331850737e+01 2.331850737e+01 2.60 2.155636512e+01 2.155636512e+01 2.62 1.987671955e+01 1.987671955e+01 2.64 1.827389097e+01 1.827389097e+01 2.66 1.674396769e+01 1.674396769e+01 2.68 1.528460498e+01 1.528460498e+01 2.70 1.389458545e+01 1.389458545e+01 2.72 1.257327707e+01 1.257327707e+01 2.74 1.132019271e+01 1.132019271e+01 2.76 1.013477741e+01 1.013477741e+01 2.78 9.016368223e+00 9.016368223e+00 2.80 7.964196897e+00 7.964196897e+00 2.82 6.977383824e+00 6.977383824e+00 2.84 6.054928214e+00 6.054928214e+00 2.86 5.195698620e+00 5.195698620e+00 2.88 4.398424364e+00 4.398424364e+00 2.90 3.661688162e+00 3.661688162e+00 2.92 2.983920293e+00 2.983920293e+00 2.94 2.363394701e+00 2.363394701e+00 2.96 1.798227525e+00 1.798227525e+00 2.98 1.286378542e+00 1.286378542e+00 3.00 8.256561437e-01 8.256561437e-01 3.02 4.137264426e-01 4.137264426e-01 3.04 4.812718114e-02 4.812718114e-02 3.06 -2.737129460e-01 -2.737129460e-01 3.08 -5.544490196e-01 -5.544490196e-01 3.10 -7.967883607e-01 -7.967883607e-01 3.12 -1.003452812e+00 -1.003452812e+00 3.14 -1.177135563e+00 -1.177135563e+00 3.16 -1.320454244e+00 -1.320454244e+00 3.18 -1.435903379e+00 -1.435903379e+00 3.20 -1.525811089e+00 -1.525811089e+00 3.22 -1.592306803e+00 -1.592306803e+00 3.24 -1.637308145e+00 -1.637308145e+00 3.26 -1.662534910e+00 -1.662534910e+00 3.28 -1.669554296e+00 -1.669554296e+00 3.30 -1.659852876e+00 -1.659852876e+00 3.32 -1.634917755e+00 -1.634917755e+00 3.34 -1.596298338e+00 -1.596298338e+00 3.36 -1.545623396e+00 -1.545623396e+00 3.38 -1.484573752e+00 -1.484573752e+00 3.40 -1.414840195e+00 -1.414840195e+00 3.42 -1.338093374e+00 -1.338093374e+00 3.44 -1.255965179e+00 -1.255965179e+00 3.46 -1.170032554e+00 -1.170032554e+00 3.48 -1.081801043e+00 -1.081801043e+00 3.50 -9.926881749e-01 -9.926881749e-01 3.52 -9.040070819e-01 -9.040070819e-01 3.54 -8.169507910e-01 -8.169507910e-01 3.56 -7.325777297e-01 -7.325777297e-01 3.58 -6.517990183e-01 -6.517990183e-01 3.60 -5.753681977e-01 -5.753681977e-01 3.62 -5.038740861e-01 -5.038740861e-01 3.64 -4.377375011e-01 -4.377375011e-01 3.66 -3.772125934e-01 -3.772125934e-01 3.68 -3.223935061e-01 -3.223935061e-01 3.70 -2.732269525e-01 -2.732269525e-01 3.72 -2.295310372e-01 -2.295310372e-01 3.74 -1.910201648e-01 -1.910201648e-01 3.76 -1.573351048e-01 -1.573351048e-01 3.78 -1.280761966e-01 -1.280761966e-01 3.80 -1.028363988e-01 -1.028363988e-01 3.82 -8.122973191e-02 -8.122973191e-02 3.84 -6.291025665e-02 -6.291025665e-02 3.86 -4.757779729e-02 -4.757779729e-02 3.88 -3.496958342e-02 -3.496958342e-02 3.90 -2.484131722e-02 -2.484131722e-02 3.92 -1.694515418e-02 -1.694515418e-02 3.94 -1.101348835e-02 -1.101348835e-02 3.96 -6.754700937e-03 -6.754700937e-03 3.98 -3.860984303e-03 -3.860984303e-03 4.00 -2.023700462e-03 -2.023700462e-03 4.02 -9.517794026e-04 -9.517794026e-04 4.04 -3.899597531e-04 -3.899597531e-04 4.06 -1.335347487e-04 -1.335347487e-04 4.08 -3.599431168e-05 -3.599431168e-05 4.10 -6.980082890e-06 -6.980082890e-06 4.12 -8.452617958e-07 -8.452617958e-07 4.14 -5.046547833e-08 -5.046547833e-08 4.16 -9.699529784e-10 -9.699529784e-10 4.18 -2.552363843e-12 -2.552363843e-12 4.20 -1.239681094e-16 -1.239681094e-16 4.22 -2.598250091e-25 -2.598250091e-25 4.24 -9.240118280e-52 -9.240118280e-52 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