# 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 = CdTe2Zn # 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 2.143161685e+04 2.143161685e+04 0.96 1.884061377e+04 1.884061377e+04 0.98 1.659925306e+04 1.659925306e+04 1.00 1.465537713e+04 1.465537713e+04 1.02 1.296987941e+04 1.296987941e+04 1.04 1.150963530e+04 1.150963530e+04 1.06 1.024283244e+04 1.024283244e+04 1.08 9.139862014e+03 9.139862014e+03 1.10 8.176039004e+03 8.176039004e+03 1.12 7.332282471e+03 7.332282471e+03 1.14 6.592366473e+03 6.592366473e+03 1.16 5.940790745e+03 5.940790745e+03 1.18 5.363349933e+03 5.363349933e+03 1.20 4.848395252e+03 4.848395252e+03 1.22 4.386869002e+03 4.386869002e+03 1.24 3.971397241e+03 3.971397241e+03 1.26 3.596360068e+03 3.596360068e+03 1.28 3.257744650e+03 3.257744650e+03 1.30 2.952110938e+03 2.952110938e+03 1.32 2.676132726e+03 2.676132726e+03 1.34 2.426912067e+03 2.426912067e+03 1.36 2.202303894e+03 2.202303894e+03 1.38 2.000699142e+03 2.000699142e+03 1.40 1.820448860e+03 1.820448860e+03 1.42 1.659573720e+03 1.659573720e+03 1.44 1.515808911e+03 1.515808911e+03 1.46 1.386800891e+03 1.386800891e+03 1.48 1.270390659e+03 1.270390659e+03 1.50 1.164838339e+03 1.164838339e+03 1.52 1.068803578e+03 1.068803578e+03 1.54 9.811620768e+02 9.811620768e+02 1.56 9.009174030e+02 9.009174030e+02 1.58 8.271961474e+02 8.271961474e+02 1.60 7.592550333e+02 7.592550333e+02 1.62 6.965021268e+02 6.965021268e+02 1.64 6.384864169e+02 6.384864169e+02 1.66 5.848527515e+02 5.848527515e+02 1.68 5.353241414e+02 5.353241414e+02 1.70 4.897024598e+02 4.897024598e+02 1.72 4.478461004e+02 4.478461004e+02 1.74 4.096281890e+02 4.096281890e+02 1.76 3.749048061e+02 3.749048061e+02 1.78 3.435047862e+02 3.435047862e+02 1.80 3.152288291e+02 3.152288291e+02 1.82 2.898508849e+02 2.898508849e+02 1.84 2.671217292e+02 2.671217292e+02 1.86 2.467755734e+02 2.467755734e+02 1.88 2.285404111e+02 2.285404111e+02 1.90 2.121520635e+02 2.121520635e+02 1.92 1.973702798e+02 1.973702798e+02 1.94 1.839925950e+02 1.839925950e+02 1.96 1.718585766e+02 1.718585766e+02 1.98 1.608382683e+02 1.608382683e+02 2.00 1.508111890e+02 1.508111890e+02 2.02 1.416536935e+02 1.416536935e+02 2.04 1.332401216e+02 1.332401216e+02 2.06 1.254499094e+02 1.254499094e+02 2.08 1.181762469e+02 1.181762469e+02 2.10 1.113337949e+02 1.113337949e+02 2.12 1.048621137e+02 1.048621137e+02 2.14 9.872247938e+01 9.872247938e+01 2.16 9.289006986e+01 9.289006986e+01 2.18 8.734729277e+01 8.734729277e+01 2.20 8.208085386e+01 8.208085386e+01 2.22 7.708011485e+01 7.708011485e+01 2.24 7.233550394e+01 7.233550394e+01 2.26 6.783762095e+01 6.783762095e+01 2.28 6.357716040e+01 6.357716040e+01 2.30 5.954513254e+01 5.954513254e+01 2.32 5.573304329e+01 5.573304329e+01 2.34 5.213292429e+01 5.213292429e+01 2.36 4.873716016e+01 4.873716016e+01 2.38 4.553814169e+01 4.553814169e+01 2.40 4.252788099e+01 4.252788099e+01 2.42 3.969775476e+01 3.969775476e+01 2.44 3.703842759e+01 3.703842759e+01 2.46 3.453988298e+01 3.453988298e+01 2.48 3.219150477e+01 3.219150477e+01 2.50 2.998220856e+01 2.998220856e+01 2.52 2.790063477e+01 2.790063477e+01 2.54 2.593541137e+01 2.593541137e+01 2.56 2.407548674e+01 2.407548674e+01 2.58 2.231052057e+01 2.231052057e+01 2.60 2.063130021e+01 2.063130021e+01 2.62 1.903012441e+01 1.903012441e+01 2.64 1.750107206e+01 1.750107206e+01 2.66 1.604006476e+01 1.604006476e+01 2.68 1.464466212e+01 1.464466212e+01 2.70 1.331361172e+01 1.331361172e+01 2.72 1.204629363e+01 1.204629363e+01 2.74 1.084226838e+01 1.084226838e+01 2.76 9.701058123e+00 9.701058123e+00 2.78 8.622105760e+00 8.622105760e+00 2.80 7.604779198e+00 7.604779198e+00 2.82 6.648367463e+00 6.648367463e+00 2.84 5.752072860e+00 5.752072860e+00 2.86 4.915003244e+00 4.915003244e+00 2.88 4.136164798e+00 4.136164798e+00 2.90 3.414455495e+00 3.414455495e+00 2.92 2.748659393e+00 2.748659393e+00 2.94 2.137441975e+00 2.137441975e+00 2.96 1.579346753e+00 1.579346753e+00 2.98 1.072793374e+00 1.072793374e+00 3.00 6.160774949e-01 6.160774949e-01 3.02 2.073727075e-01 2.073727075e-01 3.04 -1.552652123e-01 -1.552652123e-01 3.06 -4.738914550e-01 -4.738914550e-01 3.08 -7.506624922e-01 -7.506624922e-01 3.10 -9.878233839e-01 -9.878233839e-01 3.12 -1.187692015e+00 -1.187692015e+00 3.14 -1.352640366e+00 -1.352640366e+00 3.16 -1.485073172e+00 -1.485073172e+00 3.18 -1.587404647e+00 -1.587404647e+00 3.20 -1.662034388e+00 -1.662034388e+00 3.22 -1.711324076e+00 -1.711324076e+00 3.24 -1.737577104e+00 -1.737577104e+00 3.26 -1.743023661e+00 -1.743023661e+00 3.28 -1.729813833e+00 -1.729813833e+00 3.30 -1.700020571e+00 -1.700020571e+00 3.32 -1.655652594e+00 -1.655652594e+00 3.34 -1.598674186e+00 -1.598674186e+00 3.36 -1.531025118e+00 -1.531025118e+00 3.38 -1.454631391e+00 -1.454631391e+00 3.40 -1.371399225e+00 -1.371399225e+00 3.42 -1.283192236e+00 -1.283192236e+00 3.44 -1.191800526e+00 -1.191800526e+00 3.46 -1.098911528e+00 -1.098911528e+00 3.48 -1.006085101e+00 -1.006085101e+00 3.50 -9.147308559e-01 -9.147308559e-01 3.52 -8.260869973e-01 -8.260869973e-01 3.54 -7.412014172e-01 -7.412014172e-01 3.56 -6.609161907e-01 -6.609161907e-01 3.58 -5.858568314e-01 -5.858568314e-01 3.60 -5.164278907e-01 -5.164278907e-01 3.62 -4.528166771e-01 -4.528166771e-01 3.64 -3.950069301e-01 -3.950069301e-01 3.66 -3.428040478e-01 -3.428040478e-01 3.68 -2.958726719e-01 -2.958726719e-01 3.70 -2.537857447e-01 -2.537857447e-01 3.72 -2.160813484e-01 -2.160813484e-01 3.74 -1.823198918e-01 -1.823198918e-01 3.76 -1.521307026e-01 -1.521307026e-01 3.78 -1.252363258e-01 -1.252363258e-01 3.80 -1.014479560e-01 -1.014479560e-01 3.82 -8.063683917e-02 -8.063683917e-02 3.84 -6.269738913e-02 -6.269738913e-02 3.86 -4.751711280e-02 -4.751711280e-02 3.88 -3.495699060e-02 -3.495699060e-02 3.90 -2.483965907e-02 -2.483965907e-02 3.92 -1.694504410e-02 -1.694504410e-02 3.94 -1.101348592e-02 -1.101348592e-02 3.96 -6.754700930e-03 -6.754700930e-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