# 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 = CdHgZn2 # 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 6.549456423e+03 6.549456423e+03 0.96 5.750666285e+03 5.750666285e+03 0.98 5.058185233e+03 5.058185233e+03 1.00 4.457477851e+03 4.457477851e+03 1.02 3.936511371e+03 3.936511371e+03 1.04 3.485303894e+03 3.485303894e+03 1.06 3.094660964e+03 3.094660964e+03 1.08 2.755343111e+03 2.755343111e+03 1.10 2.458598519e+03 2.458598519e+03 1.12 2.197410663e+03 2.197410663e+03 1.14 1.966958775e+03 1.966958775e+03 1.16 1.763894285e+03 1.763894285e+03 1.18 1.585267790e+03 1.585267790e+03 1.20 1.428141302e+03 1.428141302e+03 1.22 1.289602915e+03 1.289602915e+03 1.24 1.166838640e+03 1.166838640e+03 1.26 1.057300629e+03 1.057300629e+03 1.28 9.589068290e+02 9.589068290e+02 1.30 8.701290775e+02 8.701290775e+02 1.32 7.899328918e+02 7.899328918e+02 1.34 7.175902371e+02 7.175902371e+02 1.36 6.525238009e+02 6.525238009e+02 1.38 5.941870950e+02 5.941870950e+02 1.40 5.419733305e+02 5.419733305e+02 1.42 4.951817349e+02 4.951817349e+02 1.44 4.530433600e+02 4.530433600e+02 1.46 4.147862797e+02 4.147862797e+02 1.48 3.797235122e+02 3.797235122e+02 1.50 3.473284653e+02 3.473284653e+02 1.52 3.172531309e+02 3.172531309e+02 1.54 2.892891061e+02 2.892891061e+02 1.56 2.633125991e+02 2.633125991e+02 1.58 2.392316839e+02 2.392316839e+02 1.60 2.169571391e+02 2.169571391e+02 1.62 1.964006360e+02 1.964006360e+02 1.64 1.774795814e+02 1.774795814e+02 1.66 1.601207301e+02 1.601207301e+02 1.68 1.442606113e+02 1.442606113e+02 1.70 1.298425308e+02 1.298425308e+02 1.72 1.168116180e+02 1.168116180e+02 1.74 1.051095562e+02 1.051095562e+02 1.76 9.467064152e+01 9.467064152e+01 1.78 8.542026767e+01 8.542026767e+01 1.80 7.727487450e+01 7.727487450e+01 1.82 7.014238886e+01 7.014238886e+01 1.84 6.392314648e+01 6.392314648e+01 1.86 5.851154752e+01 5.851154752e+01 1.88 5.379874812e+01 5.379874812e+01 1.90 4.967659001e+01 4.967659001e+01 1.92 4.604257015e+01 4.604257015e+01 1.94 4.280492755e+01 4.280492755e+01 1.96 3.988630707e+01 3.988630707e+01 1.98 3.722491590e+01 3.722491590e+01 2.00 3.477383703e+01 3.477383703e+01 2.02 3.249986563e+01 3.249986563e+01 2.04 3.038122828e+01 3.038122828e+01 2.06 2.840348292e+01 2.840348292e+01 2.08 2.655596842e+01 2.655596842e+01 2.10 2.483014115e+01 2.483014115e+01 2.12 2.321846708e+01 2.321846708e+01 2.14 2.171346071e+01 2.171346071e+01 2.16 2.030726258e+01 2.030726258e+01 2.18 1.899166316e+01 1.899166316e+01 2.20 1.775826306e+01 1.775826306e+01 2.22 1.659868875e+01 1.659868875e+01 2.24 1.550487325e+01 1.550487325e+01 2.26 1.446938900e+01 1.446938900e+01 2.28 1.348579335e+01 1.348579335e+01 2.30 1.254891749e+01 1.254891749e+01 2.32 1.165500905e+01 1.165500905e+01 2.34 1.080165038e+01 1.080165038e+01 2.36 9.987443525e+00 9.987443525e+00 2.38 9.211568969e+00 9.211568969e+00 2.40 8.473405972e+00 8.473405972e+00 2.42 7.772340177e+00 7.772340177e+00 2.44 7.107720532e+00 7.107720532e+00 2.46 6.478858976e+00 6.478858976e+00 2.48 5.885027425e+00 5.885027425e+00 2.50 5.325452618e+00 5.325452618e+00 2.52 4.799311377e+00 4.799311377e+00 2.54 4.305726625e+00 4.305726625e+00 2.56 3.843764340e+00 3.843764340e+00 2.58 3.412431624e+00 3.412431624e+00 2.60 3.010676156e+00 3.010676156e+00 2.62 2.637387256e+00 2.637387256e+00 2.64 2.291398885e+00 2.291398885e+00 2.66 1.971494868e+00 1.971494868e+00 2.68 1.676416675e+00 1.676416675e+00 2.70 1.404874022e+00 1.404874022e+00 2.72 1.155558527e+00 1.155558527e+00 2.74 9.271604731e-01 9.271604731e-01 2.76 7.183885105e-01 7.183885105e-01 2.78 5.279917470e-01 5.279917470e-01 2.80 3.547831614e-01 3.547831614e-01 2.82 1.976625782e-01 1.976625782e-01 2.84 5.563665872e-02 5.563665872e-02 2.86 -7.216739666e-02 -7.216739666e-02 2.88 -1.864981764e-01 -1.864981764e-01 2.90 -2.879898006e-01 -2.879898006e-01 2.92 -3.771867347e-01 -3.771867347e-01 2.94 -4.545817933e-01 -4.545817933e-01 2.96 -5.206604114e-01 -5.206604114e-01 2.98 -5.759396221e-01 -5.759396221e-01 3.00 -6.209896791e-01 -6.209896791e-01 3.02 -6.564333171e-01 -6.564333171e-01 3.04 -6.829298847e-01 -6.829298847e-01 3.06 -7.011581675e-01 -7.011581675e-01 3.08 -7.118051282e-01 -7.118051282e-01 3.10 -7.155582651e-01 -7.155582651e-01 3.12 -7.130983145e-01 -7.130983145e-01 3.14 -7.050915844e-01 -7.050915844e-01 3.16 -6.921821468e-01 -6.921821468e-01 3.18 -6.749842963e-01 -6.749842963e-01 3.20 -6.540758129e-01 -6.540758129e-01 3.22 -6.299926816e-01 -6.299926816e-01 3.24 -6.032260107e-01 -6.032260107e-01 3.26 -5.742218884e-01 -5.742218884e-01 3.28 -5.433847618e-01 -5.433847618e-01 3.30 -5.110845223e-01 -5.110845223e-01 3.32 -4.776667785e-01 -4.776667785e-01 3.34 -4.434647976e-01 -4.434647976e-01 3.36 -4.088105422e-01 -4.088105422e-01 3.38 -3.740416393e-01 -3.740416393e-01 3.40 -3.395017737e-01 -3.395017737e-01 3.42 -3.055343312e-01 -3.055343312e-01 3.44 -2.724722266e-01 -2.724722266e-01 3.46 -2.406281480e-01 -2.406281480e-01 3.48 -2.102873551e-01 -2.102873551e-01 3.50 -1.817022745e-01 -1.817022745e-01 3.52 -1.550877212e-01 -1.550877212e-01 3.54 -1.306164938e-01 -1.306164938e-01 3.56 -1.084155137e-01 -1.084155137e-01 3.58 -8.856276805e-02 -8.856276805e-02 3.60 -7.108535537e-02 -7.108535537e-02 3.62 -5.595897185e-02 -5.595897185e-02 3.64 -4.310918963e-02 -4.310918963e-02 3.66 -3.241485348e-02 -3.241485348e-02 3.68 -2.371381732e-02 -2.371381732e-02 3.70 -1.681102172e-02 -1.681102172e-02 3.72 -1.148854954e-02 -1.148854954e-02 3.74 -7.516815430e-03 -7.516815430e-03 3.76 -4.665584211e-03 -4.665584211e-03 3.78 -2.713364290e-03 -2.713364290e-03 3.80 -1.454249526e-03 -1.454249526e-03 3.82 -7.025696721e-04 -7.025696721e-04 3.84 -2.969945924e-04 -2.969945924e-04 3.86 -1.054395476e-04 -1.054395476e-04 3.88 -2.963754052e-05 -2.963754052e-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 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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