# 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 = CdHgSe2 # 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 1.662682236e+04 1.662682236e+04 0.96 1.459201149e+04 1.459201149e+04 0.98 1.283645016e+04 1.283645016e+04 1.00 1.132502136e+04 1.132502136e+04 1.02 1.002602195e+04 1.002602195e+04 1.04 8.909547094e+03 8.909547094e+03 1.06 7.945639908e+03 7.945639908e+03 1.08 7.106113434e+03 7.106113434e+03 1.10 6.367522813e+03 6.367522813e+03 1.12 5.712632856e+03 5.712632856e+03 1.14 5.130337680e+03 5.130337680e+03 1.16 4.612587987e+03 4.612587987e+03 1.18 4.151942330e+03 4.151942330e+03 1.20 3.741284669e+03 3.741284669e+03 1.22 3.373838692e+03 3.373838692e+03 1.24 3.043710956e+03 3.043710956e+03 1.26 2.746418723e+03 2.746418723e+03 1.28 2.478881323e+03 2.478881323e+03 1.30 2.239030457e+03 2.239030457e+03 1.32 2.025043263e+03 2.025043263e+03 1.34 1.834959913e+03 1.834959913e+03 1.36 1.666671393e+03 1.666671393e+03 1.38 1.517911752e+03 1.517911752e+03 1.40 1.386252717e+03 1.386252717e+03 1.42 1.269190245e+03 1.269190245e+03 1.44 1.164316121e+03 1.164316121e+03 1.46 1.069480735e+03 1.069480735e+03 1.48 9.828782505e+02 9.828782505e+02 1.50 9.030716133e+02 9.030716133e+02 1.52 8.290175964e+02 8.290175964e+02 1.54 7.600478564e+02 7.600478564e+02 1.56 6.957455504e+02 6.957455504e+02 1.58 6.358444174e+02 6.358444174e+02 1.60 5.801795613e+02 5.801795613e+02 1.62 5.286301878e+02 5.286301878e+02 1.64 4.810793023e+02 4.810793023e+02 1.66 4.374033261e+02 4.374033261e+02 1.68 3.974700632e+02 3.974700632e+02 1.70 3.611364175e+02 3.611364175e+02 1.72 3.282477515e+02 3.282477515e+02 1.74 2.986389080e+02 2.986389080e+02 1.76 2.721336659e+02 2.721336659e+02 1.78 2.485403215e+02 2.485403215e+02 1.80 2.276447520e+02 2.276447520e+02 1.82 2.092056943e+02 2.092056943e+02 1.84 1.929558985e+02 1.929558985e+02 1.86 1.786091712e+02 1.786091712e+02 1.88 1.658728792e+02 1.658728792e+02 1.90 1.544650687e+02 1.544650687e+02 1.92 1.441323414e+02 1.441323414e+02 1.94 1.346620525e+02 1.346620525e+02 1.96 1.258858428e+02 1.258858428e+02 1.98 1.176802204e+02 1.176802204e+02 2.00 1.099673891e+02 1.099673891e+02 2.02 1.027071875e+02 1.027071875e+02 2.04 9.587950109e+01 9.587950109e+01 2.06 8.947074452e+01 8.947074452e+01 2.08 8.346857643e+01 8.346857643e+01 2.10 7.785987968e+01 7.785987968e+01 2.12 7.263008463e+01 7.263008463e+01 2.14 6.776303726e+01 6.776303726e+01 2.16 6.324096976e+01 6.324096976e+01 2.18 5.904454162e+01 5.904454162e+01 2.20 5.515297611e+01 5.515297611e+01 2.22 5.154431277e+01 5.154431277e+01 2.24 4.819578724e+01 4.819578724e+01 2.26 4.508433032e+01 4.508433032e+01 2.28 4.218714674e+01 4.218714674e+01 2.30 3.948229434e+01 3.948229434e+01 2.32 3.694915409e+01 3.694915409e+01 2.34 3.456869014e+01 3.456869014e+01 2.36 3.232348287e+01 3.232348287e+01 2.38 3.019766382e+01 3.019766382e+01 2.40 2.817698172e+01 2.817698172e+01 2.42 2.624912950e+01 2.624912950e+01 2.44 2.440419901e+01 2.440419901e+01 2.46 2.263498005e+01 2.263498005e+01 2.48 2.093689102e+01 2.093689102e+01 2.50 1.930748285e+01 1.930748285e+01 2.52 1.774564716e+01 1.774564716e+01 2.54 1.625083847e+01 1.625083847e+01 2.56 1.482260796e+01 1.482260796e+01 2.58 1.346047485e+01 1.346047485e+01 2.60 1.216393060e+01 1.216393060e+01 2.62 1.093244070e+01 1.093244070e+01 2.64 9.765436656e+00 9.765436656e+00 2.66 8.662307095e+00 8.662307095e+00 2.68 7.622388873e+00 7.622388873e+00 2.70 6.644958355e+00 6.644958355e+00 2.72 5.729222855e+00 5.729222855e+00 2.74 4.874312309e+00 4.874312309e+00 2.76 4.079271247e+00 4.079271247e+00 2.78 3.343051146e+00 3.343051146e+00 2.80 2.664503259e+00 2.664503259e+00 2.82 2.042372035e+00 2.042372035e+00 2.84 1.475289262e+00 1.475289262e+00 2.86 9.617690707e-01 9.617690707e-01 2.88 5.002039657e-01 5.002039657e-01 2.90 8.886206369e-02 8.886206369e-02 2.92 -2.741142731e-01 -2.741142731e-01 2.94 -5.907082011e-01 -5.907082011e-01 2.96 -8.630263455e-01 -8.630263455e-01 2.98 -1.093294722e+00 -1.093294722e+00 3.00 -1.283852420e+00 -1.283852420e+00 3.02 -1.437142846e+00 -1.437142846e+00 3.04 -1.555702379e+00 -1.555702379e+00 3.06 -1.642146288e+00 -1.642146288e+00 3.08 -1.699151883e+00 -1.699151883e+00 3.10 -1.729438919e+00 -1.729438919e+00 3.12 -1.735747415e+00 -1.735747415e+00 3.14 -1.720813192e+00 -1.720813192e+00 3.16 -1.687341616e+00 -1.687341616e+00 3.18 -1.637980271e+00 -1.637980271e+00 3.20 -1.575291467e+00 -1.575291467e+00 3.22 -1.501725785e+00 -1.501725785e+00 3.24 -1.419597975e+00 -1.419597975e+00 3.26 -1.331066645e+00 -1.331066645e+00 3.28 -1.238119044e+00 -1.238119044e+00 3.30 -1.142561826e+00 -1.142561826e+00 3.32 -1.046017926e+00 -1.046017926e+00 3.34 -9.499285815e-01 -9.499285815e-01 3.36 -8.555583896e-01 -8.555583896e-01 3.38 -7.640006290e-01 -7.640006290e-01 3.40 -6.761807832e-01 -6.761807832e-01 3.42 -5.928585527e-01 -5.928585527e-01 3.44 -5.146316267e-01 -5.146316267e-01 3.46 -4.419452447e-01 -4.419452447e-01 3.48 -3.751084420e-01 -3.751084420e-01 3.50 -3.143136781e-01 -3.143136781e-01 3.52 -2.596550183e-01 -2.596550183e-01 3.54 -2.111405680e-01 -2.111405680e-01 3.56 -1.686963348e-01 -1.686963348e-01 3.58 -1.321617672e-01 -1.321617672e-01 3.60 -1.012817188e-01 -1.012817188e-01 3.62 -7.570314168e-02 -7.570314168e-02 3.64 -5.498386105e-02 -5.498386105e-02 3.66 -3.861445555e-02 -3.861445555e-02 3.68 -2.604731157e-02 -2.604731157e-02 3.70 -1.672463029e-02 -1.672463029e-02 3.72 -1.009893301e-02 -1.009893301e-02 3.74 -5.643644653e-03 -5.643644653e-03 3.76 -2.857820902e-03 -2.857820902e-03 3.78 -1.274736877e-03 -1.274736877e-03 3.80 -4.815757911e-04 -4.815757911e-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 0.000000000e+00 5.26 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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